smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000091921077 700428503 /nfs/dbraw/zinc/42/85/03/700428503.db2.gz XLCVBAFHOYZJMJ-HKUYNNGSSA-N 1 2 357.475 3.085 20 30 FGEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000091921077 700428505 /nfs/dbraw/zinc/42/85/05/700428505.db2.gz XLCVBAFHOYZJMJ-HKUYNNGSSA-N 1 2 357.475 3.085 20 30 FGEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)no1 ZINC000131499171 700815921 /nfs/dbraw/zinc/81/59/21/700815921.db2.gz WIBSTFSJVPTQQF-UHFFFAOYSA-N 1 2 363.830 3.186 20 30 FGEDLO C=CCn1c(C)nn(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c1=S ZINC000161166790 705269947 /nfs/dbraw/zinc/26/99/47/705269947.db2.gz ZYZZDHFUGXUZSO-UHFFFAOYSA-N 1 2 365.547 3.027 20 30 FGEDLO C#CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000161466689 705276029 /nfs/dbraw/zinc/27/60/29/705276029.db2.gz KVBYDJFBROKBSR-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000162461870 705296435 /nfs/dbraw/zinc/29/64/35/705296435.db2.gz KSFPRYCQFWTFDQ-AWEZNQCLSA-N 1 2 361.467 3.363 20 30 FGEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000162461870 705296441 /nfs/dbraw/zinc/29/64/41/705296441.db2.gz KSFPRYCQFWTFDQ-AWEZNQCLSA-N 1 2 361.467 3.363 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)ccc2[nH+]1 ZINC000329134427 713827539 /nfs/dbraw/zinc/82/75/39/713827539.db2.gz BSCNUDQQZPBYMS-OAHLLOKOSA-N 1 2 358.467 3.322 20 30 FGEDLO CC[C@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000329300092 713828711 /nfs/dbraw/zinc/82/87/11/713828711.db2.gz MGRTTYRBQBVBIS-ZFWWWQNUSA-N 1 2 352.504 3.031 20 30 FGEDLO CC[C@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000329300092 713828714 /nfs/dbraw/zinc/82/87/14/713828714.db2.gz MGRTTYRBQBVBIS-ZFWWWQNUSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@H](O)C1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329385576 713829434 /nfs/dbraw/zinc/82/94/34/713829434.db2.gz SBQDXHYBAAZLOT-KGLIPLIRSA-N 1 2 366.531 3.013 20 30 FGEDLO C[C@H](O)C1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329385576 713829435 /nfs/dbraw/zinc/82/94/35/713829435.db2.gz SBQDXHYBAAZLOT-KGLIPLIRSA-N 1 2 366.531 3.013 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)C1=O ZINC000656258382 719383383 /nfs/dbraw/zinc/38/33/83/719383383.db2.gz RBKAMTQULDHRHE-GOSISDBHSA-N 1 2 358.873 3.053 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)C1=O ZINC000656258382 719383389 /nfs/dbraw/zinc/38/33/89/719383389.db2.gz RBKAMTQULDHRHE-GOSISDBHSA-N 1 2 358.873 3.053 20 30 FGEDLO COCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000656267690 719386024 /nfs/dbraw/zinc/38/60/24/719386024.db2.gz YOLDKPMSKHEUSR-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000656267690 719386028 /nfs/dbraw/zinc/38/60/28/719386028.db2.gz YOLDKPMSKHEUSR-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000656267688 719386227 /nfs/dbraw/zinc/38/62/27/719386227.db2.gz YOLDKPMSKHEUSR-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000656267688 719386229 /nfs/dbraw/zinc/38/62/29/719386229.db2.gz YOLDKPMSKHEUSR-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2CSc2ccccc2)C[N@@H+]1C1CC1 ZINC000782245819 724643090 /nfs/dbraw/zinc/64/30/90/724643090.db2.gz PYHFCQZHXKGWQR-LBPRGKRZSA-N 1 2 359.524 3.320 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2CSc2ccccc2)C[N@H+]1C1CC1 ZINC000782245819 724643094 /nfs/dbraw/zinc/64/30/94/724643094.db2.gz PYHFCQZHXKGWQR-LBPRGKRZSA-N 1 2 359.524 3.320 20 30 FGEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782949195 724711243 /nfs/dbraw/zinc/71/12/43/724711243.db2.gz QWLHGZPFSITJQI-UHFFFAOYSA-N 1 2 353.220 3.012 20 30 FGEDLO Cc1nn(C)cc1C(=O)/C=C/c1c[nH+]c2c(C)cc(Br)cn12 ZINC000783706313 724780251 /nfs/dbraw/zinc/78/02/51/724780251.db2.gz BHBZQUTUXBWZFU-SNAWJCMRSA-N 1 2 359.227 3.343 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674458546 721692673 /nfs/dbraw/zinc/69/26/73/721692673.db2.gz HJZBAEUEZNXRDU-SRVKXCTJSA-N 1 2 360.342 3.472 20 30 FGEDLO Cc1csc(=NCC(F)(F)F)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783766104 724787577 /nfs/dbraw/zinc/78/75/77/724787577.db2.gz BGMGIIGGESFNFS-UHFFFAOYSA-N 1 2 371.413 3.450 20 30 FGEDLO S=C1N=NC(c2cccs2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783805198 724792389 /nfs/dbraw/zinc/79/23/89/724792389.db2.gz GUDIQVHVYHREHP-UHFFFAOYSA-N 1 2 358.477 3.425 20 30 FGEDLO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000728571503 722452564 /nfs/dbraw/zinc/45/25/64/722452564.db2.gz ZYGKZXRNJFHDNO-UHFFFAOYSA-N 1 2 352.360 3.218 20 30 FGEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1nccn1CC(F)(F)F ZINC000728571503 722452565 /nfs/dbraw/zinc/45/25/65/722452565.db2.gz ZYGKZXRNJFHDNO-UHFFFAOYSA-N 1 2 352.360 3.218 20 30 FGEDLO C#CCNC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000749275313 722722859 /nfs/dbraw/zinc/72/28/59/722722859.db2.gz AZPPWURBIQMKMA-IBGZPJMESA-N 1 2 360.429 3.115 20 30 FGEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754693178 722944490 /nfs/dbraw/zinc/94/44/90/722944490.db2.gz COVAYUMRWWPZPY-UHFFFAOYSA-N 1 2 373.265 3.059 20 30 FGEDLO FC(F)(F)c1cccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000755467620 722953617 /nfs/dbraw/zinc/95/36/17/722953617.db2.gz RJZOCPIJQISNND-UHFFFAOYSA-N 1 2 356.373 3.445 20 30 FGEDLO FC(F)(F)c1ccc(CN[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755658477 722955440 /nfs/dbraw/zinc/95/54/40/722955440.db2.gz VRKYMQHKMRIPJP-UHFFFAOYSA-N 1 2 370.400 3.122 20 30 FGEDLO CCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000756029027 722959948 /nfs/dbraw/zinc/95/99/48/722959948.db2.gz UXWQOICQWSEVSI-MRXNPFEDSA-N 1 2 355.523 3.014 20 30 FGEDLO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000756029027 722959949 /nfs/dbraw/zinc/95/99/49/722959949.db2.gz UXWQOICQWSEVSI-MRXNPFEDSA-N 1 2 355.523 3.014 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 ZINC000760393214 723053480 /nfs/dbraw/zinc/05/34/80/723053480.db2.gz NJGAYAOFZGWXBZ-UHFFFAOYSA-N 1 2 358.467 3.068 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)cc(Br)c2O)n1 ZINC000789762069 723071270 /nfs/dbraw/zinc/07/12/70/723071270.db2.gz UBCNMIOLWAVEGO-UHFFFAOYSA-N 1 2 362.271 3.315 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)cc(Br)c2O)n1 ZINC000789762069 723071272 /nfs/dbraw/zinc/07/12/72/723071272.db2.gz UBCNMIOLWAVEGO-UHFFFAOYSA-N 1 2 362.271 3.315 20 30 FGEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792364524 723332754 /nfs/dbraw/zinc/33/27/54/723332754.db2.gz FWRWCFRSLYFUQQ-QGZVFWFLSA-N 1 2 364.287 3.347 20 30 FGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792364524 723332758 /nfs/dbraw/zinc/33/27/58/723332758.db2.gz FWRWCFRSLYFUQQ-QGZVFWFLSA-N 1 2 364.287 3.347 20 30 FGEDLO C#CCCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000765721339 723535247 /nfs/dbraw/zinc/53/52/47/723535247.db2.gz UIINKRJUBPVTRW-UHFFFAOYSA-N 1 2 368.308 3.277 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000794701591 723541640 /nfs/dbraw/zinc/54/16/40/723541640.db2.gz LJPHZQIIEGMYEX-FPLPWBNLSA-N 1 2 355.463 3.331 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)s1 ZINC000794707076 723542026 /nfs/dbraw/zinc/54/20/26/723542026.db2.gz JEOXSTCELSBLRA-FPLPWBNLSA-N 1 2 357.435 3.057 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000794831122 723548252 /nfs/dbraw/zinc/54/82/52/723548252.db2.gz COPOCUNSPSOWHW-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000794831122 723548254 /nfs/dbraw/zinc/54/82/54/723548254.db2.gz COPOCUNSPSOWHW-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cncc(Br)c1 ZINC000794923694 723552061 /nfs/dbraw/zinc/55/20/61/723552061.db2.gz SVGNKHJQDZBZMI-UHFFFAOYSA-N 1 2 371.242 3.366 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCCOC2)O1 ZINC000796607832 723646254 /nfs/dbraw/zinc/64/62/54/723646254.db2.gz YNJMLBQYHXBTOC-KDOFPFPSSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCCOC2)O1 ZINC000796607832 723646255 /nfs/dbraw/zinc/64/62/55/723646255.db2.gz YNJMLBQYHXBTOC-KDOFPFPSSA-N 1 2 350.846 3.012 20 30 FGEDLO C#Cc1cccc(NC(=S)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000769791231 723695594 /nfs/dbraw/zinc/69/55/94/723695594.db2.gz XJANBWZRFGFPPO-UHFFFAOYSA-N 1 2 352.463 3.017 20 30 FGEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2nccs2)cc1 ZINC000769842662 723697678 /nfs/dbraw/zinc/69/76/78/723697678.db2.gz OMMRDNLVOWLHBN-UHFFFAOYSA-N 1 2 362.455 3.005 20 30 FGEDLO O=C(NCC1CC[NH+](CC#Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000799174186 723994946 /nfs/dbraw/zinc/99/49/46/723994946.db2.gz KJQKOGNLUFODTC-UHFFFAOYSA-N 1 2 358.791 3.082 20 30 FGEDLO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)cc(F)c3O)CC2)nc1 ZINC000776163550 724115447 /nfs/dbraw/zinc/11/54/47/724115447.db2.gz IOOKXPIAXKMDRT-UHFFFAOYSA-N 1 2 360.820 3.210 20 30 FGEDLO C#C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F ZINC000809699682 725260296 /nfs/dbraw/zinc/26/02/96/725260296.db2.gz RWXVABMCACSFBK-QGZVFWFLSA-N 1 2 356.784 3.039 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067386 725286098 /nfs/dbraw/zinc/28/60/98/725286098.db2.gz VHNZVLVSQNFOEO-GFCCVEGCSA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067386 725286101 /nfs/dbraw/zinc/28/61/01/725286101.db2.gz VHNZVLVSQNFOEO-GFCCVEGCSA-N 1 2 359.779 3.102 20 30 FGEDLO CN(CCC#N)c1ccc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000811509675 725371050 /nfs/dbraw/zinc/37/10/50/725371050.db2.gz ZVHAUQNXVBOCOG-UHFFFAOYSA-N 1 2 355.869 3.393 20 30 FGEDLO C[C@@H]1C(N=Nc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811638368 725375442 /nfs/dbraw/zinc/37/54/42/725375442.db2.gz NJGRUKDNTYQMPQ-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1C(N=Nc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811638368 725375444 /nfs/dbraw/zinc/37/54/44/725375444.db2.gz NJGRUKDNTYQMPQ-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1C(N=Nc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000811646766 725375717 /nfs/dbraw/zinc/37/57/17/725375717.db2.gz LAZBPPMAGJOMBL-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1C(N=Nc2cccc(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000811646766 725375719 /nfs/dbraw/zinc/37/57/19/725375719.db2.gz LAZBPPMAGJOMBL-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000814302718 726955045 /nfs/dbraw/zinc/95/50/45/726955045.db2.gz ZRIKJEBOZUYHKI-ZDUSSCGKSA-N 1 2 360.255 3.492 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000815892380 727104721 /nfs/dbraw/zinc/10/47/21/727104721.db2.gz OLGYOFCZIZRARP-CABCVRRESA-N 1 2 358.816 3.039 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000815892380 727104722 /nfs/dbraw/zinc/10/47/22/727104722.db2.gz OLGYOFCZIZRARP-CABCVRRESA-N 1 2 358.816 3.039 20 30 FGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000818230416 727302785 /nfs/dbraw/zinc/30/27/85/727302785.db2.gz HZYIZJDWJDEZCL-CYBMUJFWSA-N 1 2 358.467 3.130 20 30 FGEDLO C#Cc1cnc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)nc1 ZINC000827686365 729433344 /nfs/dbraw/zinc/43/33/44/729433344.db2.gz ZAYMCWBAINWELR-CQSZACIVSA-N 1 2 371.282 3.104 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877502285 736673336 /nfs/dbraw/zinc/67/33/36/736673336.db2.gz DTRBQVXRVWMBMU-SFHVURJKSA-N 1 2 364.877 3.343 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877502285 736673354 /nfs/dbraw/zinc/67/33/54/736673354.db2.gz DTRBQVXRVWMBMU-SFHVURJKSA-N 1 2 364.877 3.343 20 30 FGEDLO C=C[C@@H](C)ONC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844286138 730698119 /nfs/dbraw/zinc/69/81/19/730698119.db2.gz RSMMRJBQMUIUBB-DOMZBBRYSA-N 1 2 355.841 3.421 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000847026941 731008724 /nfs/dbraw/zinc/00/87/24/731008724.db2.gz ILIZLWUPUALFLD-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000847026941 731008727 /nfs/dbraw/zinc/00/87/27/731008727.db2.gz ILIZLWUPUALFLD-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672962 731617287 /nfs/dbraw/zinc/61/72/87/731617287.db2.gz DREYWPNXTFJCMW-NUEKZKHPSA-N 1 2 353.388 3.215 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000852725611 731624870 /nfs/dbraw/zinc/62/48/70/731624870.db2.gz LXDRUAYBQGRXAY-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000852725611 731624871 /nfs/dbraw/zinc/62/48/71/731624871.db2.gz LXDRUAYBQGRXAY-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000852751380 731629902 /nfs/dbraw/zinc/62/99/02/731629902.db2.gz ZUBTXTHOMVZOKZ-UHFFFAOYSA-N 1 2 353.253 3.046 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000852751380 731629905 /nfs/dbraw/zinc/62/99/05/731629905.db2.gz ZUBTXTHOMVZOKZ-UHFFFAOYSA-N 1 2 353.253 3.046 20 30 FGEDLO C#CCC[N@@H+](CCOC)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000852751962 731630005 /nfs/dbraw/zinc/63/00/05/731630005.db2.gz QDSRFAHCRPNQMS-UHFFFAOYSA-N 1 2 358.507 3.369 20 30 FGEDLO C#CCC[N@H+](CCOC)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000852751962 731630007 /nfs/dbraw/zinc/63/00/07/731630007.db2.gz QDSRFAHCRPNQMS-UHFFFAOYSA-N 1 2 358.507 3.369 20 30 FGEDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C#N)COC)c1cccc(C(F)(F)F)c1 ZINC000857067460 732099701 /nfs/dbraw/zinc/09/97/01/732099701.db2.gz LZLHBCXVRQJOSJ-LSDHHAIUSA-N 1 2 358.360 3.170 20 30 FGEDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(C#N)c(Cl)c3)CC[NH2+]2)c1 ZINC000870153387 733817873 /nfs/dbraw/zinc/81/78/73/733817873.db2.gz UHLDNFAYHFVJMC-SFHVURJKSA-N 1 2 355.825 3.007 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)n1 ZINC000877354096 736208745 /nfs/dbraw/zinc/20/87/45/736208745.db2.gz BGGSJEHGFUQRCY-UHFFFAOYSA-N 1 2 353.813 3.070 20 30 FGEDLO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000879322403 736980693 /nfs/dbraw/zinc/98/06/93/736980693.db2.gz SKCGZWFHNUCIAZ-OWCLPIDISA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000879322403 736980696 /nfs/dbraw/zinc/98/06/96/736980696.db2.gz SKCGZWFHNUCIAZ-OWCLPIDISA-N 1 2 361.511 3.376 20 30 FGEDLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000880008616 737098439 /nfs/dbraw/zinc/09/84/39/737098439.db2.gz UYBDJTHATPXMIB-CQSZACIVSA-N 1 2 372.519 3.495 20 30 FGEDLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000880008616 737098441 /nfs/dbraw/zinc/09/84/41/737098441.db2.gz UYBDJTHATPXMIB-CQSZACIVSA-N 1 2 372.519 3.495 20 30 FGEDLO Cc1sc(Cn2cc[nH+]c2)nc1-c1cn(CC2(C#N)CCCC2)nn1 ZINC000887531112 739392804 /nfs/dbraw/zinc/39/28/04/739392804.db2.gz BRDZQUPVPJBGDX-UHFFFAOYSA-N 1 2 353.455 3.039 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000890452968 739801214 /nfs/dbraw/zinc/80/12/14/739801214.db2.gz YEGBAOGBWRUOAW-AWEZNQCLSA-N 1 2 355.467 3.092 20 30 FGEDLO COc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917026474 758169120 /nfs/dbraw/zinc/16/91/20/758169120.db2.gz ZRKCRYBUMVAELQ-UHFFFAOYSA-N 1 2 351.435 3.201 20 30 FGEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927268566 759939358 /nfs/dbraw/zinc/93/93/58/759939358.db2.gz ZAGFNQSDYIDRGP-ONGXEEELSA-N 1 2 373.272 3.270 20 30 FGEDLO Cn1nccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940482 761279764 /nfs/dbraw/zinc/27/97/64/761279764.db2.gz PVLDMJGPXQNXDT-RKDXNWHRSA-N 1 2 363.252 3.023 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129553 761324520 /nfs/dbraw/zinc/32/45/20/761324520.db2.gz KUFJDOSZLIQMAU-QAPCUYQASA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129553 761324530 /nfs/dbraw/zinc/32/45/30/761324530.db2.gz KUFJDOSZLIQMAU-QAPCUYQASA-N 1 2 355.463 3.102 20 30 FGEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC000933611203 761439906 /nfs/dbraw/zinc/43/99/06/761439906.db2.gz JHTAIBPXERQGQV-UHFFFAOYSA-N 1 2 354.475 3.341 20 30 FGEDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775587 761471192 /nfs/dbraw/zinc/47/11/92/761471192.db2.gz KKAUIPAFUNVXDG-KGLIPLIRSA-N 1 2 357.479 3.326 20 30 FGEDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775587 761471193 /nfs/dbraw/zinc/47/11/93/761471193.db2.gz KKAUIPAFUNVXDG-KGLIPLIRSA-N 1 2 357.479 3.326 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934211064 761562526 /nfs/dbraw/zinc/56/25/26/761562526.db2.gz DNVTWMZBEOVPSV-RDTXWAMCSA-N 1 2 373.250 3.153 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336579 761601512 /nfs/dbraw/zinc/60/15/12/761601512.db2.gz RMWMSNMRGMQQLL-TZMCWYRMSA-N 1 2 358.467 3.116 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336579 761601519 /nfs/dbraw/zinc/60/15/19/761601519.db2.gz RMWMSNMRGMQQLL-TZMCWYRMSA-N 1 2 358.467 3.116 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000970558318 762878779 /nfs/dbraw/zinc/87/87/79/762878779.db2.gz BOUAXCNHAWRXTP-INWMFGNUSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977322949 763354454 /nfs/dbraw/zinc/35/44/54/763354454.db2.gz DCICMMJFNGHAMW-FGTMMUONSA-N 1 2 362.901 3.138 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977322949 763354461 /nfs/dbraw/zinc/35/44/61/763354461.db2.gz DCICMMJFNGHAMW-FGTMMUONSA-N 1 2 362.901 3.138 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001001257478 765278592 /nfs/dbraw/zinc/27/85/92/765278592.db2.gz RCDUKBTUMATTGI-MOPGFXCFSA-N 1 2 360.885 3.265 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC001001257478 765278600 /nfs/dbraw/zinc/27/86/00/765278600.db2.gz RCDUKBTUMATTGI-MOPGFXCFSA-N 1 2 360.885 3.265 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001001413569 765285863 /nfs/dbraw/zinc/28/58/63/765285863.db2.gz PXLYNLIODQFQKS-HZWIXDFKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001014471921 765783040 /nfs/dbraw/zinc/78/30/40/765783040.db2.gz TUDPBWKGGRMRJS-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001014471921 765783045 /nfs/dbraw/zinc/78/30/45/765783045.db2.gz TUDPBWKGGRMRJS-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001015829341 765811535 /nfs/dbraw/zinc/81/15/35/765811535.db2.gz RPSWVVBNZWWJFQ-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001015829341 765811540 /nfs/dbraw/zinc/81/15/40/765811540.db2.gz RPSWVVBNZWWJFQ-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001028020209 766108222 /nfs/dbraw/zinc/10/82/22/766108222.db2.gz QFDWJRWEOXSQNR-KNBMTAEXSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001028020209 766108223 /nfs/dbraw/zinc/10/82/23/766108223.db2.gz QFDWJRWEOXSQNR-KNBMTAEXSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001033192242 766210467 /nfs/dbraw/zinc/21/04/67/766210467.db2.gz PBYVECJRJZJZNG-BFHYXJOUSA-N 1 2 350.812 3.416 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001033192242 766210472 /nfs/dbraw/zinc/21/04/72/766210472.db2.gz PBYVECJRJZJZNG-BFHYXJOUSA-N 1 2 350.812 3.416 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCCc2ccccc2Cl)C1 ZINC001043924165 766484805 /nfs/dbraw/zinc/48/48/05/766484805.db2.gz UBOCMOXWXWXUHW-MJGOQNOKSA-N 1 2 362.901 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509796 766594984 /nfs/dbraw/zinc/59/49/84/766594984.db2.gz MXWKFGGPAIVJMX-LJIGWXMPSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509796 766594992 /nfs/dbraw/zinc/59/49/92/766594992.db2.gz MXWKFGGPAIVJMX-LJIGWXMPSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001046632273 766597554 /nfs/dbraw/zinc/59/75/54/766597554.db2.gz WGWUDJYJZNUUIG-HHXXYDBFSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001046632273 766597558 /nfs/dbraw/zinc/59/75/58/766597558.db2.gz WGWUDJYJZNUUIG-HHXXYDBFSA-N 1 2 366.864 3.151 20 30 FGEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cn2ccccc12 ZINC000124190043 206115768 /nfs/dbraw/zinc/11/57/68/206115768.db2.gz ZEDNVFVBXBHSID-UHFFFAOYSA-N 1 2 358.445 3.159 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cn2ccccc12 ZINC000124190043 206115772 /nfs/dbraw/zinc/11/57/72/206115772.db2.gz ZEDNVFVBXBHSID-UHFFFAOYSA-N 1 2 358.445 3.159 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000573634787 505583704 /nfs/dbraw/zinc/58/37/04/505583704.db2.gz SUQMFMYTDBKGDU-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)cn1 ZINC000570902575 505607109 /nfs/dbraw/zinc/60/71/09/505607109.db2.gz VSYTUUVUVOGFOV-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)cn1 ZINC000570902575 505607114 /nfs/dbraw/zinc/60/71/14/505607114.db2.gz VSYTUUVUVOGFOV-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000571200838 505677908 /nfs/dbraw/zinc/67/79/08/505677908.db2.gz DQHANNNXXPVDLQ-QGZVFWFLSA-N 1 2 373.478 3.246 20 30 FGEDLO Cc1ccc([C@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000571200838 505677911 /nfs/dbraw/zinc/67/79/11/505677911.db2.gz DQHANNNXXPVDLQ-QGZVFWFLSA-N 1 2 373.478 3.246 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000048125255 493788561 /nfs/dbraw/zinc/78/85/61/493788561.db2.gz UDUCXGOSYFLAOU-UHFFFAOYSA-N 1 2 366.490 3.103 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(Br)cc1 ZINC000081062858 493822435 /nfs/dbraw/zinc/82/24/35/493822435.db2.gz FYBLGQKOOODKEN-CYBMUJFWSA-N 1 2 364.287 3.252 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(Br)cc1 ZINC000081062858 493822439 /nfs/dbraw/zinc/82/24/39/493822439.db2.gz FYBLGQKOOODKEN-CYBMUJFWSA-N 1 2 364.287 3.252 20 30 FGEDLO N#Cc1cccc(CNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000048874103 493850172 /nfs/dbraw/zinc/85/01/72/493850172.db2.gz TYOFHDCXVKXXDO-UHFFFAOYSA-N 1 2 363.465 3.333 20 30 FGEDLO N#CCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058809496 493887150 /nfs/dbraw/zinc/88/71/50/493887150.db2.gz CCJRMKDBQVLYMN-IBGZPJMESA-N 1 2 367.474 3.318 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000050107751 493898026 /nfs/dbraw/zinc/89/80/26/493898026.db2.gz XEECBBCZPPGGFP-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO Cc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)co2)cc1 ZINC000060480614 493937957 /nfs/dbraw/zinc/93/79/57/493937957.db2.gz CEELNWJSTJDTKI-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000060481445 493938343 /nfs/dbraw/zinc/93/83/43/493938343.db2.gz GNMHEWKXBCKJMF-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000051798768 493987827 /nfs/dbraw/zinc/98/78/27/493987827.db2.gz UMKXDRUKOIPEBY-LJQANCHMSA-N 1 2 360.498 3.101 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000051798768 493987830 /nfs/dbraw/zinc/98/78/30/493987830.db2.gz UMKXDRUKOIPEBY-LJQANCHMSA-N 1 2 360.498 3.101 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000083170166 494002714 /nfs/dbraw/zinc/00/27/14/494002714.db2.gz MBJSPTINVAHWOX-FQEVSTJZSA-N 1 2 367.424 3.488 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000083206986 494007897 /nfs/dbraw/zinc/00/78/97/494007897.db2.gz BVJGZFUECCSAEC-PXNSSMCTSA-N 1 2 350.418 3.270 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000083206986 494007901 /nfs/dbraw/zinc/00/79/01/494007901.db2.gz BVJGZFUECCSAEC-PXNSSMCTSA-N 1 2 350.418 3.270 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300369 494042354 /nfs/dbraw/zinc/04/23/54/494042354.db2.gz RIPFHQBXCSJLPH-UHFFFAOYSA-N 1 2 351.425 3.310 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300369 494042358 /nfs/dbraw/zinc/04/23/58/494042358.db2.gz RIPFHQBXCSJLPH-UHFFFAOYSA-N 1 2 351.425 3.310 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1cc(Br)ccc1F ZINC000063751376 494082586 /nfs/dbraw/zinc/08/25/86/494082586.db2.gz NBEHBSAEQVFXSK-UHFFFAOYSA-N 1 2 370.266 3.172 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000063751376 494082591 /nfs/dbraw/zinc/08/25/91/494082591.db2.gz NBEHBSAEQVFXSK-UHFFFAOYSA-N 1 2 370.266 3.172 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1SC ZINC000064344320 494115183 /nfs/dbraw/zinc/11/51/83/494115183.db2.gz XBDMUQTUCONDEU-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1SC ZINC000064344320 494115185 /nfs/dbraw/zinc/11/51/85/494115185.db2.gz XBDMUQTUCONDEU-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055317 494295389 /nfs/dbraw/zinc/29/53/89/494295389.db2.gz LQLFSDCBGYKSSJ-UHFFFAOYSA-N 1 2 366.509 3.430 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055317 494295393 /nfs/dbraw/zinc/29/53/93/494295393.db2.gz LQLFSDCBGYKSSJ-UHFFFAOYSA-N 1 2 366.509 3.430 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043755396 494317191 /nfs/dbraw/zinc/31/71/91/494317191.db2.gz UZUYRYUKTVSJFA-CQSZACIVSA-N 1 2 370.478 3.407 20 30 FGEDLO COc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000044236541 494343587 /nfs/dbraw/zinc/34/35/87/494343587.db2.gz KBDRCYXSTMBMSV-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000015812445 494369308 /nfs/dbraw/zinc/36/93/08/494369308.db2.gz MTBVPTPCJFOCCF-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846345 494421608 /nfs/dbraw/zinc/42/16/08/494421608.db2.gz SAPVEXPPDTWAHG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846345 494421611 /nfs/dbraw/zinc/42/16/11/494421611.db2.gz SAPVEXPPDTWAHG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3Cl)CC2)cc1 ZINC000079298302 494432484 /nfs/dbraw/zinc/43/24/84/494432484.db2.gz FLUOSVIZKKMNCP-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccccc1F ZINC000056512338 494517188 /nfs/dbraw/zinc/51/71/88/494517188.db2.gz KDCVUJDRRBQRNQ-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccccc1F ZINC000056512338 494517192 /nfs/dbraw/zinc/51/71/92/494517192.db2.gz KDCVUJDRRBQRNQ-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO COc1ccc(F)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850386 494538465 /nfs/dbraw/zinc/53/84/65/494538465.db2.gz YCQRTUWXFQFXRF-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COc1ccc(F)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850386 494538467 /nfs/dbraw/zinc/53/84/67/494538467.db2.gz YCQRTUWXFQFXRF-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000074500459 494548210 /nfs/dbraw/zinc/54/82/10/494548210.db2.gz ZTBAQLSMZBSLAY-UHFFFAOYSA-N 1 2 360.417 3.033 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000126003944 494603128 /nfs/dbraw/zinc/60/31/28/494603128.db2.gz PZBUIQJPWWRWTM-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000126003944 494603132 /nfs/dbraw/zinc/60/31/32/494603132.db2.gz PZBUIQJPWWRWTM-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361276 494605764 /nfs/dbraw/zinc/60/57/64/494605764.db2.gz BLKVDSIIKSCSML-LBPRGKRZSA-N 1 2 351.365 3.020 20 30 FGEDLO C=CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361276 494605768 /nfs/dbraw/zinc/60/57/68/494605768.db2.gz BLKVDSIIKSCSML-LBPRGKRZSA-N 1 2 351.365 3.020 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1Cl ZINC000121178945 494633704 /nfs/dbraw/zinc/63/37/04/494633704.db2.gz CGZZQSCKGROOQU-QGZVFWFLSA-N 1 2 359.813 3.207 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1Cl ZINC000121178945 494633708 /nfs/dbraw/zinc/63/37/08/494633708.db2.gz CGZZQSCKGROOQU-QGZVFWFLSA-N 1 2 359.813 3.207 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025054575 494693650 /nfs/dbraw/zinc/69/36/50/494693650.db2.gz VDYLWNMYQGDONW-INIZCTEOSA-N 1 2 361.445 3.480 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(OC)c1 ZINC000091918009 494720465 /nfs/dbraw/zinc/72/04/65/494720465.db2.gz IWOZXXJWYNVVFZ-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCCn1cc[nH+]c1 ZINC000057377204 494727282 /nfs/dbraw/zinc/72/72/82/494727282.db2.gz POAJPDVVXGKVHP-UHFFFAOYSA-N 1 2 364.371 3.033 20 30 FGEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC000025494657 494749545 /nfs/dbraw/zinc/74/95/45/494749545.db2.gz WLBOWLOXRAFNHS-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000577497427 505740809 /nfs/dbraw/zinc/74/08/09/505740809.db2.gz YSSWUDQLLIANRG-GOSISDBHSA-N 1 2 358.829 3.101 20 30 FGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108862962 494796151 /nfs/dbraw/zinc/79/61/51/494796151.db2.gz ULDCWFQEAMJQKP-LEWJYISDSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108862962 494796156 /nfs/dbraw/zinc/79/61/56/494796156.db2.gz ULDCWFQEAMJQKP-LEWJYISDSA-N 1 2 366.440 3.050 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000093026701 494814454 /nfs/dbraw/zinc/81/44/54/494814454.db2.gz PXOJRAWXTARPID-UHFFFAOYSA-N 1 2 374.510 3.259 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1 ZINC000093107988 494825663 /nfs/dbraw/zinc/82/56/63/494825663.db2.gz RCUIRLMIWXKNQH-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C#N)CCC[C@H](C)C3)cn2c1 ZINC000116807748 494855870 /nfs/dbraw/zinc/85/58/70/494855870.db2.gz YYIMDYJAJVMYSU-IFXJQAMLSA-N 1 2 356.495 3.465 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccs1 ZINC000027364032 494864690 /nfs/dbraw/zinc/86/46/90/494864690.db2.gz FMRNPOOXWWMDFC-UHFFFAOYSA-N 1 2 357.435 3.234 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccs1 ZINC000027364032 494864694 /nfs/dbraw/zinc/86/46/94/494864694.db2.gz FMRNPOOXWWMDFC-UHFFFAOYSA-N 1 2 357.435 3.234 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)c1 ZINC000027602726 494876677 /nfs/dbraw/zinc/87/66/77/494876677.db2.gz AVSCUOWNRLZPJT-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)c1 ZINC000027602726 494876682 /nfs/dbraw/zinc/87/66/82/494876682.db2.gz AVSCUOWNRLZPJT-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000116972634 494878451 /nfs/dbraw/zinc/87/84/51/494878451.db2.gz ITSCQEPTFYIPQI-MRXNPFEDSA-N 1 2 350.466 3.408 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093384905 494882519 /nfs/dbraw/zinc/88/25/19/494882519.db2.gz PSONDDLRKKSUFV-MRXNPFEDSA-N 1 2 372.490 3.002 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093384905 494882522 /nfs/dbraw/zinc/88/25/22/494882522.db2.gz PSONDDLRKKSUFV-MRXNPFEDSA-N 1 2 372.490 3.002 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](CC(=O)OC)C2CCOCC2)cc1Cl ZINC000093763518 494917584 /nfs/dbraw/zinc/91/75/84/494917584.db2.gz LWBXINZLAPWAMU-UHFFFAOYSA-N 1 2 353.846 3.059 20 30 FGEDLO C=CCOc1ccc(C[N@H+](CC(=O)OC)C2CCOCC2)cc1Cl ZINC000093763518 494917585 /nfs/dbraw/zinc/91/75/85/494917585.db2.gz LWBXINZLAPWAMU-UHFFFAOYSA-N 1 2 353.846 3.059 20 30 FGEDLO N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)ccc1F ZINC000127367372 494934526 /nfs/dbraw/zinc/93/45/26/494934526.db2.gz BRMHAYDHMLDFHE-UHFFFAOYSA-N 1 2 367.405 3.488 20 30 FGEDLO COc1cccc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118394638 494999554 /nfs/dbraw/zinc/99/95/54/494999554.db2.gz UDSGNORZICCMGI-QGZVFWFLSA-N 1 2 363.461 3.015 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000110672820 494999778 /nfs/dbraw/zinc/99/97/78/494999778.db2.gz UZUVGGDMWCDJBY-UHFFFAOYSA-N 1 2 372.831 3.111 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000096981364 495017617 /nfs/dbraw/zinc/01/76/17/495017617.db2.gz DHGIDMPCKLWDOV-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO CCN(CCC#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133534189 495024857 /nfs/dbraw/zinc/02/48/57/495024857.db2.gz LUXXIIMJBKPCOW-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO C[S@@](=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122838608 495039314 /nfs/dbraw/zinc/03/93/14/495039314.db2.gz ATNDAUHQBJQOFF-SANMLTNESA-N 1 2 367.518 3.004 20 30 FGEDLO C[S@@](=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122838608 495039317 /nfs/dbraw/zinc/03/93/17/495039317.db2.gz ATNDAUHQBJQOFF-SANMLTNESA-N 1 2 367.518 3.004 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000128121821 495048372 /nfs/dbraw/zinc/04/83/72/495048372.db2.gz XNBIZWXODRCPCP-UHFFFAOYSA-N 1 2 368.502 3.287 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)c1C ZINC000118852450 495048945 /nfs/dbraw/zinc/04/89/45/495048945.db2.gz NHRIRRICDNJLJH-UHFFFAOYSA-N 1 2 371.525 3.198 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cc1F ZINC000133788373 495062609 /nfs/dbraw/zinc/06/26/09/495062609.db2.gz DVHNRTVSIFNPPJ-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C#N)ccc3OC)CC2)cc1F ZINC000133788373 495062611 /nfs/dbraw/zinc/06/26/11/495062611.db2.gz DVHNRTVSIFNPPJ-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000128415383 495093387 /nfs/dbraw/zinc/09/33/87/495093387.db2.gz SUNYOPDVHMBMMH-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000128415383 495093391 /nfs/dbraw/zinc/09/33/91/495093391.db2.gz SUNYOPDVHMBMMH-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111751313 495106248 /nfs/dbraw/zinc/10/62/48/495106248.db2.gz LBIMSDLADIQPNY-UHFFFAOYSA-N 1 2 361.352 3.225 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101921367 495108129 /nfs/dbraw/zinc/10/81/29/495108129.db2.gz LYJIWELSQUNFSY-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101921367 495108131 /nfs/dbraw/zinc/10/81/31/495108131.db2.gz LYJIWELSQUNFSY-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342647 495176981 /nfs/dbraw/zinc/17/69/81/495176981.db2.gz USODQTQTMKIUSN-IERDGZPVSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342647 495176986 /nfs/dbraw/zinc/17/69/86/495176986.db2.gz USODQTQTMKIUSN-IERDGZPVSA-N 1 2 368.456 3.250 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)s1 ZINC000129132264 495200665 /nfs/dbraw/zinc/20/06/65/495200665.db2.gz QBTPZOOGLHJOMM-UHFFFAOYSA-N 1 2 372.494 3.134 20 30 FGEDLO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nnc1-c1ccccc1 ZINC000103267228 495211125 /nfs/dbraw/zinc/21/11/25/495211125.db2.gz JYLPPLSRLCUVLU-UHFFFAOYSA-N 1 2 372.476 3.066 20 30 FGEDLO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nnc1-c1ccccc1 ZINC000103267228 495211126 /nfs/dbraw/zinc/21/11/26/495211126.db2.gz JYLPPLSRLCUVLU-UHFFFAOYSA-N 1 2 372.476 3.066 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000129501470 495254276 /nfs/dbraw/zinc/25/42/76/495254276.db2.gz FCODRCHBSCLAFR-INIZCTEOSA-N 1 2 369.465 3.088 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135241676 495267444 /nfs/dbraw/zinc/26/74/44/495267444.db2.gz BGUYEBYCFQPJSE-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135241676 495267450 /nfs/dbraw/zinc/26/74/50/495267450.db2.gz BGUYEBYCFQPJSE-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000124407696 495282430 /nfs/dbraw/zinc/28/24/30/495282430.db2.gz UKLNGULBYOPYAZ-WBVHZDCISA-N 1 2 355.438 3.180 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000105010382 495325496 /nfs/dbraw/zinc/32/54/96/495325496.db2.gz HZUANSHQRQYGAY-UHFFFAOYSA-N 1 2 367.453 3.011 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000114724719 495416392 /nfs/dbraw/zinc/41/63/92/495416392.db2.gz SJDUUMFNCHGIOI-OAHLLOKOSA-N 1 2 371.462 3.413 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000114724719 495416396 /nfs/dbraw/zinc/41/63/96/495416396.db2.gz SJDUUMFNCHGIOI-OAHLLOKOSA-N 1 2 371.462 3.413 20 30 FGEDLO C=CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000130975484 495473826 /nfs/dbraw/zinc/47/38/26/495473826.db2.gz SZQOEFBTUXNGNF-LEWJYISDSA-N 1 2 370.541 3.115 20 30 FGEDLO C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125797822 495500538 /nfs/dbraw/zinc/50/05/38/495500538.db2.gz RZMKMBYZWGSACS-PXNSSMCTSA-N 1 2 366.465 3.414 20 30 FGEDLO Cc1cc(N2CCCN(c3ccc(C#N)cc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000140957289 495501096 /nfs/dbraw/zinc/50/10/96/495501096.db2.gz VLTHZPROKIODQF-UHFFFAOYSA-N 1 2 370.460 3.435 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414894 495501147 /nfs/dbraw/zinc/50/11/47/495501147.db2.gz BDSKYTVBVCFSMV-GUYCJALGSA-N 1 2 373.403 3.023 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000131206959 495506602 /nfs/dbraw/zinc/50/66/02/495506602.db2.gz XLQKSJJBYCTJAV-LJQANCHMSA-N 1 2 354.454 3.131 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000115516810 495512299 /nfs/dbraw/zinc/51/22/99/495512299.db2.gz NRFBLPFFOYMZFO-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000115516810 495512301 /nfs/dbraw/zinc/51/23/01/495512301.db2.gz NRFBLPFFOYMZFO-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000115535782 495514456 /nfs/dbraw/zinc/51/44/56/495514456.db2.gz GZXODIUIDBIAPD-OAQYLSRUSA-N 1 2 374.419 3.494 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000115535782 495514459 /nfs/dbraw/zinc/51/44/59/495514459.db2.gz GZXODIUIDBIAPD-OAQYLSRUSA-N 1 2 374.419 3.494 20 30 FGEDLO N#CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180439 495523225 /nfs/dbraw/zinc/52/32/25/495523225.db2.gz JKWFXZNCMUMTCL-UHFFFAOYSA-N 1 2 364.449 3.294 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1csc(C2CCCCC2)n1 ZINC000176263991 495569986 /nfs/dbraw/zinc/56/99/86/495569986.db2.gz SHYBVFOAHMVUAY-UHFFFAOYSA-N 1 2 362.543 3.239 20 30 FGEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000176287174 495580082 /nfs/dbraw/zinc/58/00/82/495580082.db2.gz KFQMBZLNWFQNRB-YJBOKZPZSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000176287174 495580086 /nfs/dbraw/zinc/58/00/86/495580086.db2.gz KFQMBZLNWFQNRB-YJBOKZPZSA-N 1 2 358.463 3.398 20 30 FGEDLO N#Cc1ccc(SCC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000170871172 495634590 /nfs/dbraw/zinc/63/45/90/495634590.db2.gz QLHVWDFKYHLFNC-UHFFFAOYSA-N 1 2 367.474 3.121 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000159189566 495680233 /nfs/dbraw/zinc/68/02/33/495680233.db2.gz JLYSGYZMIIZBOH-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000179660600 495681718 /nfs/dbraw/zinc/68/17/18/495681718.db2.gz VPSLPIXXNAMDEX-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000179660600 495681719 /nfs/dbraw/zinc/68/17/19/495681719.db2.gz VPSLPIXXNAMDEX-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000179797128 495736932 /nfs/dbraw/zinc/73/69/32/495736932.db2.gz LZURWIJJDRBTOF-MRXNPFEDSA-N 1 2 354.454 3.387 20 30 FGEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000171345808 495830325 /nfs/dbraw/zinc/83/03/25/495830325.db2.gz XKGCDQQDUDCNGO-UHFFFAOYSA-N 1 2 355.463 3.475 20 30 FGEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000171345808 495830330 /nfs/dbraw/zinc/83/03/30/495830330.db2.gz XKGCDQQDUDCNGO-UHFFFAOYSA-N 1 2 355.463 3.475 20 30 FGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)c(Cl)c1 ZINC000174227398 495871838 /nfs/dbraw/zinc/87/18/38/495871838.db2.gz SPCOFUNHQGEXDU-ZDUSSCGKSA-N 1 2 355.866 3.245 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000177020306 495886113 /nfs/dbraw/zinc/88/61/13/495886113.db2.gz CSXLSNPPBIMTIW-FQEVSTJZSA-N 1 2 352.434 3.346 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000177020306 495886117 /nfs/dbraw/zinc/88/61/17/495886117.db2.gz CSXLSNPPBIMTIW-FQEVSTJZSA-N 1 2 352.434 3.346 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000177031914 495892081 /nfs/dbraw/zinc/89/20/81/495892081.db2.gz INKDJLJPFODQMC-QGZVFWFLSA-N 1 2 355.463 3.417 20 30 FGEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1OC ZINC000155263388 495896345 /nfs/dbraw/zinc/89/63/45/495896345.db2.gz OKMKNDLLXYGIRX-LJQANCHMSA-N 1 2 351.450 3.086 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000174355558 495924863 /nfs/dbraw/zinc/92/48/63/495924863.db2.gz GWIANRIQALAYGV-INIZCTEOSA-N 1 2 351.903 3.414 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000174355558 495924872 /nfs/dbraw/zinc/92/48/72/495924872.db2.gz GWIANRIQALAYGV-INIZCTEOSA-N 1 2 351.903 3.414 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000155365527 495934988 /nfs/dbraw/zinc/93/49/88/495934988.db2.gz XCJDWPIECGFIFL-UHFFFAOYSA-N 1 2 354.772 3.466 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000577907474 505816023 /nfs/dbraw/zinc/81/60/23/505816023.db2.gz BTWZYKPBGUGPKI-UZLBHIALSA-N 1 2 353.466 3.401 20 30 FGEDLO C[C@]([NH2+]Cc1ccc(C#N)cc1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177380813 496039556 /nfs/dbraw/zinc/03/95/56/496039556.db2.gz GDBMBKIBMYWHNB-QGZVFWFLSA-N 1 2 365.330 3.206 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)CCCCC1 ZINC000177391600 496044221 /nfs/dbraw/zinc/04/42/21/496044221.db2.gz WFZHYCWWWXNULW-HNNXBMFYSA-N 1 2 359.495 3.128 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)CCCCC1 ZINC000177391600 496044228 /nfs/dbraw/zinc/04/42/28/496044228.db2.gz WFZHYCWWWXNULW-HNNXBMFYSA-N 1 2 359.495 3.128 20 30 FGEDLO N#CC1(c2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000180567441 496047156 /nfs/dbraw/zinc/04/71/56/496047156.db2.gz WMFUAPGOZMEDOO-UHFFFAOYSA-N 1 2 361.445 3.326 20 30 FGEDLO N#CCCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171847842 496061491 /nfs/dbraw/zinc/06/14/91/496061491.db2.gz JXPDELCROILQMF-MRXNPFEDSA-N 1 2 366.868 3.437 20 30 FGEDLO N#CCCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171847842 496061496 /nfs/dbraw/zinc/06/14/96/496061496.db2.gz JXPDELCROILQMF-MRXNPFEDSA-N 1 2 366.868 3.437 20 30 FGEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000171934314 496098851 /nfs/dbraw/zinc/09/88/51/496098851.db2.gz RFRBHLOLPMKJBR-UHFFFAOYSA-N 1 2 355.445 3.337 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177601834 496127813 /nfs/dbraw/zinc/12/78/13/496127813.db2.gz DBTMGENCZFTMHR-RHSMWYFYSA-N 1 2 353.426 3.268 20 30 FGEDLO CC[C@@H](CC#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000183858588 496139845 /nfs/dbraw/zinc/13/98/45/496139845.db2.gz VHLLSMPVENYOJE-JKSUJKDBSA-N 1 2 364.287 3.394 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)ccc1C ZINC000183939354 496169485 /nfs/dbraw/zinc/16/94/85/496169485.db2.gz BVFHXKWNOHOSJZ-QGZVFWFLSA-N 1 2 363.461 3.394 20 30 FGEDLO Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(C)n1-c1ccc(C#N)cc1 ZINC000177739615 496179879 /nfs/dbraw/zinc/17/98/79/496179879.db2.gz YJWVDMQIVFJXIW-FQEVSTJZSA-N 1 2 373.460 3.467 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)ccc1F ZINC000177833110 496215070 /nfs/dbraw/zinc/21/50/70/496215070.db2.gz KDQMXLZBJACQMZ-UHFFFAOYSA-N 1 2 363.396 3.458 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)ccc1C ZINC000172396343 496282448 /nfs/dbraw/zinc/28/24/48/496282448.db2.gz FRWFOODOJOXFSU-QGZVFWFLSA-N 1 2 363.461 3.394 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)c1 ZINC000569055080 505839669 /nfs/dbraw/zinc/83/96/69/505839669.db2.gz YYFHEOKHFUXRDW-SJLPKXTDSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)c1 ZINC000569055080 505839673 /nfs/dbraw/zinc/83/96/73/505839673.db2.gz YYFHEOKHFUXRDW-SJLPKXTDSA-N 1 2 350.422 3.142 20 30 FGEDLO CC[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156754617 496326759 /nfs/dbraw/zinc/32/67/59/496326759.db2.gz DTYXMUBXXPCSAU-FQEVSTJZSA-N 1 2 354.475 3.341 20 30 FGEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156754617 496326763 /nfs/dbraw/zinc/32/67/63/496326763.db2.gz DTYXMUBXXPCSAU-FQEVSTJZSA-N 1 2 354.475 3.341 20 30 FGEDLO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000187196759 496334776 /nfs/dbraw/zinc/33/47/76/496334776.db2.gz ZGECGUIXHZRKGQ-UHFFFAOYSA-N 1 2 358.829 3.359 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000153080619 496347092 /nfs/dbraw/zinc/34/70/92/496347092.db2.gz FTFDEAVMZSCDQO-ZDUSSCGKSA-N 1 2 357.845 3.432 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187276767 496372821 /nfs/dbraw/zinc/37/28/21/496372821.db2.gz RKUGRXZSHDMIGV-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000187276767 496372827 /nfs/dbraw/zinc/37/28/27/496372827.db2.gz RKUGRXZSHDMIGV-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000175476971 496408413 /nfs/dbraw/zinc/40/84/13/496408413.db2.gz QLXNXUISZZSSDH-UHFFFAOYSA-N 1 2 351.454 3.285 20 30 FGEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178446040 496460148 /nfs/dbraw/zinc/46/01/48/496460148.db2.gz OYRWVJGVYAKJSD-UHFFFAOYSA-N 1 2 369.465 3.134 20 30 FGEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000157357501 496461872 /nfs/dbraw/zinc/46/18/72/496461872.db2.gz WNCAROCVBVOBAT-UHFFFAOYSA-N 1 2 363.527 3.056 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C)o1 ZINC000184661323 496483507 /nfs/dbraw/zinc/48/35/07/496483507.db2.gz HPHCIECMKLWFQE-MAUKXSAKSA-N 1 2 373.428 3.340 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000178545571 496494201 /nfs/dbraw/zinc/49/42/01/496494201.db2.gz PFWKUCSTTHSULL-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000571933571 505848758 /nfs/dbraw/zinc/84/87/58/505848758.db2.gz ARRMOEYLXUXSGP-HRAATJIYSA-N 1 2 355.482 3.476 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157672095 496527259 /nfs/dbraw/zinc/52/72/59/496527259.db2.gz HEDOVIQOTOVXKT-KUDFPVQQSA-N 1 2 373.472 3.163 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157672095 496527264 /nfs/dbraw/zinc/52/72/64/496527264.db2.gz HEDOVIQOTOVXKT-KUDFPVQQSA-N 1 2 373.472 3.163 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(F)c(F)c1 ZINC000187755945 496558405 /nfs/dbraw/zinc/55/84/05/496558405.db2.gz AGPPFWYSSBKVQM-GOSISDBHSA-N 1 2 365.449 3.459 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000188058449 496666860 /nfs/dbraw/zinc/66/68/60/496666860.db2.gz AQWZVZKEUHQTPH-HNNXBMFYSA-N 1 2 357.903 3.302 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000188058449 496666865 /nfs/dbraw/zinc/66/68/65/496666865.db2.gz AQWZVZKEUHQTPH-HNNXBMFYSA-N 1 2 357.903 3.302 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000158424791 496698848 /nfs/dbraw/zinc/69/88/48/496698848.db2.gz UMWVGKSIFJDTSQ-UHFFFAOYSA-N 1 2 361.449 3.202 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000158424791 496698856 /nfs/dbraw/zinc/69/88/56/496698856.db2.gz UMWVGKSIFJDTSQ-UHFFFAOYSA-N 1 2 361.449 3.202 20 30 FGEDLO Cc1cc(C)c(NC(=O)CN(C)Cc2c[nH+]c3ccc(C#N)cn23)c(C)c1 ZINC000158424791 496698861 /nfs/dbraw/zinc/69/88/61/496698861.db2.gz UMWVGKSIFJDTSQ-UHFFFAOYSA-N 1 2 361.449 3.202 20 30 FGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000571976063 505860552 /nfs/dbraw/zinc/86/05/52/505860552.db2.gz MNMUONUHLRSSFU-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191403773 496751570 /nfs/dbraw/zinc/75/15/70/496751570.db2.gz NFSIMIAHOTVFIB-FQEVSTJZSA-N 1 2 358.436 3.444 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403773 496751575 /nfs/dbraw/zinc/75/15/75/496751575.db2.gz NFSIMIAHOTVFIB-FQEVSTJZSA-N 1 2 358.436 3.444 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@](=O)C1 ZINC000277414958 496765776 /nfs/dbraw/zinc/76/57/76/496765776.db2.gz IPKDWIKBARPUHF-QUGAMOGWSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@](=O)C1 ZINC000277414958 496765782 /nfs/dbraw/zinc/76/57/82/496765782.db2.gz IPKDWIKBARPUHF-QUGAMOGWSA-N 1 2 368.502 3.338 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000273357175 496782397 /nfs/dbraw/zinc/78/23/97/496782397.db2.gz CAZJDTZIFGCVGF-ZDUSSCGKSA-N 1 2 362.396 3.375 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000569159060 505865675 /nfs/dbraw/zinc/86/56/75/505865675.db2.gz ILFXVTMUAROZDC-CQSZACIVSA-N 1 2 362.393 3.152 20 30 FGEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(Cc2ccccc2)no1 ZINC000191593560 496825216 /nfs/dbraw/zinc/82/52/16/496825216.db2.gz HMVWHVCGFLIQOP-AWEZNQCLSA-N 1 2 358.405 3.031 20 30 FGEDLO C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(Cc2ccccc2)no1 ZINC000191593560 496825217 /nfs/dbraw/zinc/82/52/17/496825217.db2.gz HMVWHVCGFLIQOP-AWEZNQCLSA-N 1 2 358.405 3.031 20 30 FGEDLO CO/N=C/c1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000264275152 496859039 /nfs/dbraw/zinc/85/90/39/496859039.db2.gz SIBDXENISYWXND-QFNCUCFLSA-N 1 2 367.449 3.312 20 30 FGEDLO N#Cc1ccc(CCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000188759063 496899911 /nfs/dbraw/zinc/89/99/11/496899911.db2.gz XNDDDDCTDRPWFI-UHFFFAOYSA-N 1 2 367.880 3.319 20 30 FGEDLO N#Cc1ccc(CCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000188759063 496899917 /nfs/dbraw/zinc/89/99/17/496899917.db2.gz XNDDDDCTDRPWFI-UHFFFAOYSA-N 1 2 367.880 3.319 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1F ZINC000191892417 496923238 /nfs/dbraw/zinc/92/32/38/496923238.db2.gz RKCPMGFZOIHLMY-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1F ZINC000191892417 496923245 /nfs/dbraw/zinc/92/32/45/496923245.db2.gz RKCPMGFZOIHLMY-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1C(F)(F)F ZINC000274247320 497051401 /nfs/dbraw/zinc/05/14/01/497051401.db2.gz WAKIEDMZPKHYSR-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000574919837 505883416 /nfs/dbraw/zinc/88/34/16/505883416.db2.gz NODPSUZDVNSNLB-SUMWQHHRSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000574919837 505883419 /nfs/dbraw/zinc/88/34/19/505883419.db2.gz NODPSUZDVNSNLB-SUMWQHHRSA-N 1 2 359.426 3.409 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000270249776 497085752 /nfs/dbraw/zinc/08/57/52/497085752.db2.gz IRTVVCBGLSSQOQ-GHTZIAJQSA-N 1 2 362.477 3.234 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000270249786 497085947 /nfs/dbraw/zinc/08/59/47/497085947.db2.gz IRTVVCBGLSSQOQ-WIYYLYMNSA-N 1 2 362.477 3.234 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121984 497171077 /nfs/dbraw/zinc/17/10/77/497171077.db2.gz UFPMSDCHRFUBBT-FUHWJXTLSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121984 497171079 /nfs/dbraw/zinc/17/10/79/497171079.db2.gz UFPMSDCHRFUBBT-FUHWJXTLSA-N 1 2 355.825 3.092 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000274978676 497210540 /nfs/dbraw/zinc/21/05/40/497210540.db2.gz UZTFEEACHMBFKW-GOSISDBHSA-N 1 2 354.498 3.428 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1C ZINC000249706186 497233931 /nfs/dbraw/zinc/23/39/31/497233931.db2.gz AUKNPYINMPFONQ-WOJBJXKFSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1C ZINC000249706186 497233935 /nfs/dbraw/zinc/23/39/35/497233935.db2.gz AUKNPYINMPFONQ-WOJBJXKFSA-N 1 2 355.482 3.194 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000249868486 497253546 /nfs/dbraw/zinc/25/35/46/497253546.db2.gz IRWNDVRTXITNIN-MSOLQXFVSA-N 1 2 371.481 3.498 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000249868486 497253551 /nfs/dbraw/zinc/25/35/51/497253551.db2.gz IRWNDVRTXITNIN-MSOLQXFVSA-N 1 2 371.481 3.498 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000189883839 497280280 /nfs/dbraw/zinc/28/02/80/497280280.db2.gz ZXOYLYJJAULRIP-NRFANRHFSA-N 1 2 354.498 3.198 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000189883839 497280283 /nfs/dbraw/zinc/28/02/83/497280283.db2.gz ZXOYLYJJAULRIP-NRFANRHFSA-N 1 2 354.498 3.198 20 30 FGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1O ZINC000189896738 497284557 /nfs/dbraw/zinc/28/45/57/497284557.db2.gz VWHYQIXKYBSGBL-UHFFFAOYSA-N 1 2 371.440 3.375 20 30 FGEDLO C[C@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332508 497322903 /nfs/dbraw/zinc/32/29/03/497322903.db2.gz MCWDDWGSEFRTEG-HOCLYGCPSA-N 1 2 364.449 3.024 20 30 FGEDLO C[C@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332508 497322908 /nfs/dbraw/zinc/32/29/08/497322908.db2.gz MCWDDWGSEFRTEG-HOCLYGCPSA-N 1 2 364.449 3.024 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000279068930 497323372 /nfs/dbraw/zinc/32/33/72/497323372.db2.gz TVXXQYAXGSHCDU-FGTMMUONSA-N 1 2 355.438 3.092 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000279068930 497323376 /nfs/dbraw/zinc/32/33/76/497323376.db2.gz TVXXQYAXGSHCDU-FGTMMUONSA-N 1 2 355.438 3.092 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1[nH]cc[nH+]1 ZINC000279123293 497340445 /nfs/dbraw/zinc/34/04/45/497340445.db2.gz DANWKDZAFUSDSP-UHFFFAOYSA-N 1 2 366.234 3.459 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000279283862 497393993 /nfs/dbraw/zinc/39/39/93/497393993.db2.gz KTOJWNHMOGUZQV-QGZVFWFLSA-N 1 2 363.461 3.018 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]n1 ZINC000271681150 497417857 /nfs/dbraw/zinc/41/78/57/497417857.db2.gz ZBVTZOWKVNPELU-UHFFFAOYSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000271681150 497417859 /nfs/dbraw/zinc/41/78/59/497417859.db2.gz ZBVTZOWKVNPELU-UHFFFAOYSA-N 1 2 357.845 3.061 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643953 497485841 /nfs/dbraw/zinc/48/58/41/497485841.db2.gz BRASYCAMAMBBQZ-QZTJIDSGSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643953 497485846 /nfs/dbraw/zinc/48/58/46/497485846.db2.gz BRASYCAMAMBBQZ-QZTJIDSGSA-N 1 2 356.376 3.403 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272031212 497517465 /nfs/dbraw/zinc/51/74/65/497517465.db2.gz JMJFHEAAHYDOJO-UHFFFAOYSA-N 1 2 362.355 3.273 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000267696728 497602221 /nfs/dbraw/zinc/60/22/21/497602221.db2.gz ZAHHHEFPXNMZTL-AWEZNQCLSA-N 1 2 353.401 3.003 20 30 FGEDLO N#Cc1ccc(C[S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000190809894 497610378 /nfs/dbraw/zinc/61/03/78/497610378.db2.gz DSKPTLJYLCMYCY-RUZDIDTESA-N 1 2 353.422 3.391 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000191111040 497712352 /nfs/dbraw/zinc/71/23/52/497712352.db2.gz TWNLKCHWCYYARC-UHFFFAOYSA-N 1 2 359.491 3.462 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000191111040 497712359 /nfs/dbraw/zinc/71/23/59/497712359.db2.gz TWNLKCHWCYYARC-UHFFFAOYSA-N 1 2 359.491 3.462 20 30 FGEDLO COc1ccc2c(c1OC)O/C(=C/c1[nH+]ccn1CC(F)(F)F)C2=O ZINC000194592234 497713473 /nfs/dbraw/zinc/71/34/73/497713473.db2.gz WLFJBRSHTZABHN-YRNVUSSQSA-N 1 2 354.284 3.079 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000191143331 497723100 /nfs/dbraw/zinc/72/31/00/497723100.db2.gz AXLMWJJWZTXXRB-QWHCGFSZSA-N 1 2 361.511 3.305 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000191143331 497723103 /nfs/dbraw/zinc/72/31/03/497723103.db2.gz AXLMWJJWZTXXRB-QWHCGFSZSA-N 1 2 361.511 3.305 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000280356805 497729545 /nfs/dbraw/zinc/72/95/45/497729545.db2.gz XEPMDWJPBQELHP-UHFFFAOYSA-N 1 2 362.393 3.361 20 30 FGEDLO CCCOc1cccc2c(NCCCc3[nH]nc(N)c3C#N)cc[nH+]c12 ZINC000194697860 497742666 /nfs/dbraw/zinc/74/26/66/497742666.db2.gz WUECZJCDYLVJHN-UHFFFAOYSA-N 1 2 350.426 3.245 20 30 FGEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c[nH+]1 ZINC000191284552 497769333 /nfs/dbraw/zinc/76/93/33/497769333.db2.gz PRDAVVDVEOLZIQ-VZUCSPMQSA-N 1 2 373.478 3.194 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000246594806 497785106 /nfs/dbraw/zinc/78/51/06/497785106.db2.gz MGKOHASDQKHDBJ-GOEBONIOSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000246594806 497785111 /nfs/dbraw/zinc/78/51/11/497785111.db2.gz MGKOHASDQKHDBJ-GOEBONIOSA-N 1 2 373.478 3.356 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246616679 497789316 /nfs/dbraw/zinc/78/93/16/497789316.db2.gz VHJWFNKVOYQKSV-LIRRHRJNSA-N 1 2 358.463 3.469 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246616679 497789320 /nfs/dbraw/zinc/78/93/20/497789320.db2.gz VHJWFNKVOYQKSV-LIRRHRJNSA-N 1 2 358.463 3.469 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(CO)CC3)n2)C1 ZINC000329603505 497842406 /nfs/dbraw/zinc/84/24/06/497842406.db2.gz LJQSUBODJJEEIJ-CQSZACIVSA-N 1 2 366.531 3.015 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(CO)CC3)n2)C1 ZINC000329603505 497842416 /nfs/dbraw/zinc/84/24/16/497842416.db2.gz LJQSUBODJJEEIJ-CQSZACIVSA-N 1 2 366.531 3.015 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000280650332 497842533 /nfs/dbraw/zinc/84/25/33/497842533.db2.gz ZBGSNYUDQYPNFX-OAHLLOKOSA-N 1 2 366.339 3.289 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)CCC2 ZINC000329630972 497851343 /nfs/dbraw/zinc/85/13/43/497851343.db2.gz WKJQIGUYRISFGM-JLSDUUJJSA-N 1 2 353.470 3.461 20 30 FGEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000329648457 497856313 /nfs/dbraw/zinc/85/63/13/497856313.db2.gz AYXKICKROUPKDM-GJZGRUSLSA-N 1 2 364.559 3.483 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000575192642 505939728 /nfs/dbraw/zinc/93/97/28/505939728.db2.gz IYRMJZZARWIGER-TZMCWYRMSA-N 1 2 358.467 3.428 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000329809510 497909158 /nfs/dbraw/zinc/90/91/58/497909158.db2.gz MEIWRLCNBDCKPX-HNNXBMFYSA-N 1 2 363.527 3.490 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)CC3)n2)C1 ZINC000329894471 497942146 /nfs/dbraw/zinc/94/21/46/497942146.db2.gz BHBYOTFIKLMPFL-KSSFIOAISA-N 1 2 366.531 3.157 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)CC3)n2)C1 ZINC000329894471 497942151 /nfs/dbraw/zinc/94/21/51/497942151.db2.gz BHBYOTFIKLMPFL-KSSFIOAISA-N 1 2 366.531 3.157 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000329901482 497945417 /nfs/dbraw/zinc/94/54/17/497945417.db2.gz GYXFUHRSFJGOLD-DYESRHJHSA-N 1 2 360.498 3.189 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000329901482 497945425 /nfs/dbraw/zinc/94/54/25/497945425.db2.gz GYXFUHRSFJGOLD-DYESRHJHSA-N 1 2 360.498 3.189 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000288939752 497951785 /nfs/dbraw/zinc/95/17/85/497951785.db2.gz AIZOODYQTICKLX-WZGPROSRSA-N 1 2 369.465 3.480 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000288939752 497951794 /nfs/dbraw/zinc/95/17/94/497951794.db2.gz AIZOODYQTICKLX-WZGPROSRSA-N 1 2 369.465 3.480 20 30 FGEDLO C#Cc1cccc(NC(=O)CNc2cc(CC)[nH+]c(-c3ccncc3)n2)c1 ZINC000301154704 497975257 /nfs/dbraw/zinc/97/52/57/497975257.db2.gz ATVQPEBDMKPBGE-UHFFFAOYSA-N 1 2 357.417 3.133 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCc3ccccc32)cn1 ZINC000329979024 497976993 /nfs/dbraw/zinc/97/69/93/497976993.db2.gz ITKFLHQKHUCCRF-BJLQDIEVSA-N 1 2 370.472 3.409 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCc3ccccc32)cn1 ZINC000329979024 497976999 /nfs/dbraw/zinc/97/69/99/497976999.db2.gz ITKFLHQKHUCCRF-BJLQDIEVSA-N 1 2 370.472 3.409 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000575319947 505960802 /nfs/dbraw/zinc/96/08/02/505960802.db2.gz IRNAWDUFHJKSQT-DOTOQJQBSA-N 1 2 369.446 3.467 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000575319947 505960805 /nfs/dbraw/zinc/96/08/05/505960805.db2.gz IRNAWDUFHJKSQT-DOTOQJQBSA-N 1 2 369.446 3.467 20 30 FGEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139236 498035778 /nfs/dbraw/zinc/03/57/78/498035778.db2.gz WBYCVODLDRYBSS-SPYBWZPUSA-N 1 2 366.889 3.455 20 30 FGEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139236 498035785 /nfs/dbraw/zinc/03/57/85/498035785.db2.gz WBYCVODLDRYBSS-SPYBWZPUSA-N 1 2 366.889 3.455 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H](C)[S@]1=O ZINC000289176830 498047421 /nfs/dbraw/zinc/04/74/21/498047421.db2.gz AARWCFPWFZAPMF-KBUMFOBPSA-N 1 2 364.511 3.109 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H](C)[S@]1=O ZINC000289176830 498047427 /nfs/dbraw/zinc/04/74/27/498047427.db2.gz AARWCFPWFZAPMF-KBUMFOBPSA-N 1 2 364.511 3.109 20 30 FGEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330180345 498051736 /nfs/dbraw/zinc/05/17/36/498051736.db2.gz NHLIPFKOPFQGQC-FQEVSTJZSA-N 1 2 368.481 3.094 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000296492573 498065427 /nfs/dbraw/zinc/06/54/27/498065427.db2.gz BFNWHHNAFKPCIS-DWRORGKVSA-N 1 2 370.497 3.500 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000330215608 498065444 /nfs/dbraw/zinc/06/54/44/498065444.db2.gz HDHNGYYEIWEHHO-HNNXBMFYSA-N 1 2 374.510 3.159 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000330215608 498065451 /nfs/dbraw/zinc/06/54/51/498065451.db2.gz HDHNGYYEIWEHHO-HNNXBMFYSA-N 1 2 374.510 3.159 20 30 FGEDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330222466 498067912 /nfs/dbraw/zinc/06/79/12/498067912.db2.gz MKTPTQSSUDXIJN-KRWDZBQOSA-N 1 2 350.484 3.225 20 30 FGEDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000330222466 498067915 /nfs/dbraw/zinc/06/79/15/498067915.db2.gz MKTPTQSSUDXIJN-KRWDZBQOSA-N 1 2 350.484 3.225 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCOC3(CCC3)C1)C2 ZINC000330231348 498071301 /nfs/dbraw/zinc/07/13/01/498071301.db2.gz QZIYHBWVCZCFKB-GJZGRUSLSA-N 1 2 360.502 3.101 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCOC3(CCC3)C1)C2 ZINC000330231348 498071304 /nfs/dbraw/zinc/07/13/04/498071304.db2.gz QZIYHBWVCZCFKB-GJZGRUSLSA-N 1 2 360.502 3.101 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296563147 498096040 /nfs/dbraw/zinc/09/60/40/498096040.db2.gz HWENPWHKJYZUAN-QZTJIDSGSA-N 1 2 350.466 3.147 20 30 FGEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000301404198 498096130 /nfs/dbraw/zinc/09/61/30/498096130.db2.gz KQAHBJIJRQVHIQ-UHFFFAOYSA-N 1 2 374.492 3.380 20 30 FGEDLO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000569622539 505978430 /nfs/dbraw/zinc/97/84/30/505978430.db2.gz YVNPOFCIFNSPGG-HXUWFJFHSA-N 1 2 363.461 3.288 20 30 FGEDLO O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330328836 498106884 /nfs/dbraw/zinc/10/68/84/498106884.db2.gz LZYZHRKNKPQOHH-UHFFFAOYSA-N 1 2 368.437 3.373 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000330334837 498109488 /nfs/dbraw/zinc/10/94/88/498109488.db2.gz RAEZWAWRKCXTNO-QAPCUYQASA-N 1 2 371.437 3.001 20 30 FGEDLO CCS[C@@H]1CCC[C@H](NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000330337902 498110287 /nfs/dbraw/zinc/11/02/87/498110287.db2.gz UPPHIWIISCOBNE-XHSDSOJGSA-N 1 2 365.547 3.067 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330355132 498117406 /nfs/dbraw/zinc/11/74/06/498117406.db2.gz QGZOXNUGQBXOHU-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000330355131 498117434 /nfs/dbraw/zinc/11/74/34/498117434.db2.gz QGZOXNUGQBXOHU-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)cc(OC)c1 ZINC000301473743 498124910 /nfs/dbraw/zinc/12/49/10/498124910.db2.gz MFJIDHDPNSDYND-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289439711 498146728 /nfs/dbraw/zinc/14/67/28/498146728.db2.gz JZZDOXVCFINSCY-LLVKDONJSA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289439711 498146735 /nfs/dbraw/zinc/14/67/35/498146735.db2.gz JZZDOXVCFINSCY-LLVKDONJSA-N 1 2 359.779 3.102 20 30 FGEDLO N#CC1(C(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)CCCCC1 ZINC000364818561 498157743 /nfs/dbraw/zinc/15/77/43/498157743.db2.gz FJVWWRQJZDWQNS-UHFFFAOYSA-N 1 2 365.481 3.118 20 30 FGEDLO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000330626239 498161535 /nfs/dbraw/zinc/16/15/35/498161535.db2.gz VDECLXOLGJZOKF-KBPBESRZSA-N 1 2 363.458 3.306 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000330743345 498185604 /nfs/dbraw/zinc/18/56/04/498185604.db2.gz UCBSCUXWHXZKEU-NSHDSACASA-N 1 2 362.396 3.137 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000578664371 505992932 /nfs/dbraw/zinc/99/29/32/505992932.db2.gz KXTDQEYXZVEIHJ-ICSRJNTNSA-N 1 2 371.506 3.297 20 30 FGEDLO CC[C@](C)(C#N)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286058468 498280812 /nfs/dbraw/zinc/28/08/12/498280812.db2.gz LSLJTPHRKRHEBP-MRXNPFEDSA-N 1 2 363.259 3.004 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000331235195 498281118 /nfs/dbraw/zinc/28/11/18/498281118.db2.gz DXDFKXXUIFFLDM-UHFFFAOYSA-N 1 2 361.467 3.202 20 30 FGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)n1 ZINC000281854078 498292632 /nfs/dbraw/zinc/29/26/32/498292632.db2.gz ZKSLDLWJQSUCOT-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)CC1 ZINC000289859736 498327284 /nfs/dbraw/zinc/32/72/84/498327284.db2.gz QXLBCAVGMMOIFI-UHFFFAOYSA-N 1 2 361.515 3.209 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1)CCCC2 ZINC000286541687 498429956 /nfs/dbraw/zinc/42/99/56/498429956.db2.gz QSYLHPKZURZIIB-GOSISDBHSA-N 1 2 352.413 3.287 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365406605 498451700 /nfs/dbraw/zinc/45/17/00/498451700.db2.gz WOKVRCKWKQPVPJ-CYBMUJFWSA-N 1 2 371.872 3.203 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC(C)(C)[C@H]3C#N)cn2c1 ZINC000331960879 498515296 /nfs/dbraw/zinc/51/52/96/498515296.db2.gz PMNVASQGAAOSLL-MRXNPFEDSA-N 1 2 356.495 3.417 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365840876 498665671 /nfs/dbraw/zinc/66/56/71/498665671.db2.gz OAMCVUBPTJPQNZ-CVEARBPZSA-N 1 2 369.494 3.020 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365840876 498665674 /nfs/dbraw/zinc/66/56/74/498665674.db2.gz OAMCVUBPTJPQNZ-CVEARBPZSA-N 1 2 369.494 3.020 20 30 FGEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000363255319 498729838 /nfs/dbraw/zinc/72/98/38/498729838.db2.gz VSISRNYDRYCCQC-UHFFFAOYSA-N 1 2 360.417 3.205 20 30 FGEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000363255319 498729842 /nfs/dbraw/zinc/72/98/42/498729842.db2.gz VSISRNYDRYCCQC-UHFFFAOYSA-N 1 2 360.417 3.205 20 30 FGEDLO N#CC[C@@H](CC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC000366279301 498856104 /nfs/dbraw/zinc/85/61/04/498856104.db2.gz HAGWTBNSFXZVJS-KRWDZBQOSA-N 1 2 368.506 3.311 20 30 FGEDLO Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328632222 498882118 /nfs/dbraw/zinc/88/21/18/498882118.db2.gz LEKLOIWONRTBNP-INIZCTEOSA-N 1 2 356.474 3.064 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000328638967 498885783 /nfs/dbraw/zinc/88/57/83/498885783.db2.gz BVJXHQSWMUJCAE-ROUUACIJSA-N 1 2 367.497 3.242 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000333086185 498895625 /nfs/dbraw/zinc/89/56/25/498895625.db2.gz ROPAAVDGACWMHL-UHFFFAOYSA-N 1 2 369.513 3.438 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328681047 498899508 /nfs/dbraw/zinc/89/95/08/498899508.db2.gz CHJPBXQCBBQEAY-CVEARBPZSA-N 1 2 366.421 3.057 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328681047 498899516 /nfs/dbraw/zinc/89/95/16/498899516.db2.gz CHJPBXQCBBQEAY-CVEARBPZSA-N 1 2 366.421 3.057 20 30 FGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)cc(N)c1[N+](=O)[O-] ZINC000283486972 498900562 /nfs/dbraw/zinc/90/05/62/498900562.db2.gz HLUOGIIWJNCZGW-UHFFFAOYSA-N 1 2 352.398 3.046 20 30 FGEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCN(CC(F)(F)F)CC1 ZINC000328705944 498909443 /nfs/dbraw/zinc/90/94/43/498909443.db2.gz AFCNNUQHWNKJPY-GXTWGEPZSA-N 1 2 358.408 3.065 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000573072828 506112001 /nfs/dbraw/zinc/11/20/01/506112001.db2.gz BXAFTPSTWIJRAS-MJGOQNOKSA-N 1 2 363.465 3.317 20 30 FGEDLO CC(=O)N1CC[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328782701 498936397 /nfs/dbraw/zinc/93/63/97/498936397.db2.gz GEYZHQGHOWXHOH-MRXNPFEDSA-N 1 2 350.422 3.058 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)n2)C1 ZINC000328822277 498949059 /nfs/dbraw/zinc/94/90/59/498949059.db2.gz IBVJOGLFBJCTQJ-ZIAGYGMSSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)n2)C1 ZINC000328822277 498949068 /nfs/dbraw/zinc/94/90/68/498949068.db2.gz IBVJOGLFBJCTQJ-ZIAGYGMSSA-N 1 2 366.531 3.420 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288152551 498955874 /nfs/dbraw/zinc/95/58/74/498955874.db2.gz MIVMPVMZXXYGLL-DFQSSKMNSA-N 1 2 350.466 3.110 20 30 FGEDLO O=C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCCC2 ZINC000329013528 499014968 /nfs/dbraw/zinc/01/49/68/499014968.db2.gz FKKALPBFGYBPNJ-GFCCVEGCSA-N 1 2 373.482 3.360 20 30 FGEDLO O=C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCCC2 ZINC000329013528 499014974 /nfs/dbraw/zinc/01/49/74/499014974.db2.gz FKKALPBFGYBPNJ-GFCCVEGCSA-N 1 2 373.482 3.360 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)n1 ZINC000329042633 499024366 /nfs/dbraw/zinc/02/43/66/499024366.db2.gz TXOBHRCCFPBWLK-IAGOWNOFSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)n1 ZINC000329042633 499024374 /nfs/dbraw/zinc/02/43/74/499024374.db2.gz TXOBHRCCFPBWLK-IAGOWNOFSA-N 1 2 372.494 3.069 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329056991 499027719 /nfs/dbraw/zinc/02/77/19/499027719.db2.gz IJXBONPPSBSCRC-LYLJNWGWSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329056991 499027726 /nfs/dbraw/zinc/02/77/26/499027726.db2.gz IJXBONPPSBSCRC-LYLJNWGWSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000284098913 499047694 /nfs/dbraw/zinc/04/76/94/499047694.db2.gz LDNRCZMKLNABKB-SKDRFNHKSA-N 1 2 370.331 3.284 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329151287 499056439 /nfs/dbraw/zinc/05/64/39/499056439.db2.gz AAQQYWRPIGAZAH-YZGWKJHDSA-N 1 2 358.482 3.364 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329151287 499056440 /nfs/dbraw/zinc/05/64/40/499056440.db2.gz AAQQYWRPIGAZAH-YZGWKJHDSA-N 1 2 358.482 3.364 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@]3(C)CCCOC3)n2)C1 ZINC000329162908 499060102 /nfs/dbraw/zinc/06/01/02/499060102.db2.gz ZXZAGGHOMTXRHS-SUMWQHHRSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@]3(C)CCCOC3)n2)C1 ZINC000329162908 499060105 /nfs/dbraw/zinc/06/01/05/499060105.db2.gz ZXZAGGHOMTXRHS-SUMWQHHRSA-N 1 2 352.504 3.079 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000333803346 499079279 /nfs/dbraw/zinc/07/92/79/499079279.db2.gz YPERQCWZQXOFTH-JKSUJKDBSA-N 1 2 351.454 3.384 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000329237353 499080456 /nfs/dbraw/zinc/08/04/56/499080456.db2.gz KESIJSVIKCXCGE-AWEZNQCLSA-N 1 2 373.476 3.122 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000573156945 506131199 /nfs/dbraw/zinc/13/11/99/506131199.db2.gz NPGWHGMAEAKGCL-OVWKYPIYSA-N 1 2 365.449 3.413 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000573156945 506131200 /nfs/dbraw/zinc/13/12/00/506131200.db2.gz NPGWHGMAEAKGCL-OVWKYPIYSA-N 1 2 365.449 3.413 20 30 FGEDLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C1CC1 ZINC000329310336 499096341 /nfs/dbraw/zinc/09/63/41/499096341.db2.gz PMHBYEYDVJFXCH-UHFFFAOYSA-N 1 2 364.453 3.293 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC(=O)N1 ZINC000329355961 499106600 /nfs/dbraw/zinc/10/66/00/499106600.db2.gz VZWAOAMLQSEZMK-CABCVRRESA-N 1 2 372.469 3.451 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)C1CCOCC1 ZINC000329422875 499119064 /nfs/dbraw/zinc/11/90/64/499119064.db2.gz FRCCVTBNKYIWMI-QZTJIDSGSA-N 1 2 360.502 3.456 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)NC(=O)NCc1cccs1 ZINC000329461186 499124599 /nfs/dbraw/zinc/12/45/99/499124599.db2.gz SHWBCPKOSFBKSI-MRXNPFEDSA-N 1 2 365.499 3.400 20 30 FGEDLO O=C(C[N@H+]1CCO[C@@H](C2CCCCC2)C1)NC(=O)NCc1cccs1 ZINC000329461186 499124601 /nfs/dbraw/zinc/12/46/01/499124601.db2.gz SHWBCPKOSFBKSI-MRXNPFEDSA-N 1 2 365.499 3.400 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1[C@H]1CCCO1)C2 ZINC000329461358 499124771 /nfs/dbraw/zinc/12/47/71/499124771.db2.gz SPPJZTGNHMHVTO-ARFHVFGLSA-N 1 2 360.502 3.053 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)[nH]1 ZINC000329478041 499126820 /nfs/dbraw/zinc/12/68/20/499126820.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)[nH]1 ZINC000329478041 499126821 /nfs/dbraw/zinc/12/68/21/499126821.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329478041 499126822 /nfs/dbraw/zinc/12/68/22/499126822.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329478041 499126823 /nfs/dbraw/zinc/12/68/23/499126823.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n[nH]1 ZINC000329478041 499126824 /nfs/dbraw/zinc/12/68/24/499126824.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n[nH]1 ZINC000329478041 499126825 /nfs/dbraw/zinc/12/68/25/499126825.db2.gz QAVKCTGPEGCGDE-FAKMSMKASA-N 1 2 357.502 3.218 20 30 FGEDLO COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000329481336 499127084 /nfs/dbraw/zinc/12/70/84/499127084.db2.gz RDQBMUDPEQIGEA-HOTGVXAUSA-N 1 2 354.454 3.080 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061252 499141745 /nfs/dbraw/zinc/14/17/45/499141745.db2.gz VLGCTTHJHZOALO-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061252 499141746 /nfs/dbraw/zinc/14/17/46/499141746.db2.gz VLGCTTHJHZOALO-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000372615769 499154217 /nfs/dbraw/zinc/15/42/17/499154217.db2.gz APINKSFTPOGFOB-CQSZACIVSA-N 1 2 371.872 3.016 20 30 FGEDLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000372615769 499154219 /nfs/dbraw/zinc/15/42/19/499154219.db2.gz APINKSFTPOGFOB-CQSZACIVSA-N 1 2 371.872 3.016 20 30 FGEDLO CC1=C(c2ccco2)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000367225106 499164306 /nfs/dbraw/zinc/16/43/06/499164306.db2.gz QHSCSSZJLWMZJU-UHFFFAOYSA-N 1 2 356.447 3.104 20 30 FGEDLO CC1=C(c2ccco2)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000367225106 499164307 /nfs/dbraw/zinc/16/43/07/499164307.db2.gz QHSCSSZJLWMZJU-UHFFFAOYSA-N 1 2 356.447 3.104 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000367228881 499165243 /nfs/dbraw/zinc/16/52/43/499165243.db2.gz CGWUPNVJALTPQL-MRXNPFEDSA-N 1 2 354.479 3.447 20 30 FGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367346173 499185643 /nfs/dbraw/zinc/18/56/43/499185643.db2.gz HHHYKUPWILJWPZ-QGZVFWFLSA-N 1 2 362.437 3.031 20 30 FGEDLO CCc1nccc([C@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237180 499200665 /nfs/dbraw/zinc/20/06/65/499200665.db2.gz UIZPIOXOCJQHGZ-FXAWDEMLSA-N 1 2 364.449 3.004 20 30 FGEDLO CCc1nccc([C@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237180 499200666 /nfs/dbraw/zinc/20/06/66/499200666.db2.gz UIZPIOXOCJQHGZ-FXAWDEMLSA-N 1 2 364.449 3.004 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000370312707 499208608 /nfs/dbraw/zinc/20/86/08/499208608.db2.gz BBSQNGVUBNACOH-UHFFFAOYSA-N 1 2 363.396 3.328 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H]2CCOc3c(Br)cccc32)n1 ZINC000579290769 506137668 /nfs/dbraw/zinc/13/76/68/506137668.db2.gz KEIAIZDJRSBBAK-LBPRGKRZSA-N 1 2 350.241 3.391 20 30 FGEDLO COc1ccc([C@H](CCO)[NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000370364739 499213544 /nfs/dbraw/zinc/21/35/44/499213544.db2.gz BVJBUJLBPIWRTH-IBGZPJMESA-N 1 2 363.417 3.435 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000368841310 499338642 /nfs/dbraw/zinc/33/86/42/499338642.db2.gz DQJBRUPEVIZXHX-ZDUSSCGKSA-N 1 2 365.437 3.025 20 30 FGEDLO Cc1ccnc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n1 ZINC000371821979 499368857 /nfs/dbraw/zinc/36/88/57/499368857.db2.gz FZXXLVJBFRCNTB-UHFFFAOYSA-N 1 2 369.856 3.128 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000371923975 499380085 /nfs/dbraw/zinc/38/00/85/499380085.db2.gz WQUPUSWWILMGKM-IRXDYDNUSA-N 1 2 355.463 3.417 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000371923975 499380087 /nfs/dbraw/zinc/38/00/87/499380087.db2.gz WQUPUSWWILMGKM-IRXDYDNUSA-N 1 2 355.463 3.417 20 30 FGEDLO N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CCO2)c1 ZINC000372364395 499425255 /nfs/dbraw/zinc/42/52/55/499425255.db2.gz FKSSMVDAMFPSSW-OAQYLSRUSA-N 1 2 372.428 3.017 20 30 FGEDLO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)CC2 ZINC000375405171 499514621 /nfs/dbraw/zinc/51/46/21/499514621.db2.gz OFYOLHVCBOLJLL-UHFFFAOYSA-N 1 2 360.820 3.047 20 30 FGEDLO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1ccc(F)c(C#N)c1Cl)CC2 ZINC000375405171 499514623 /nfs/dbraw/zinc/51/46/23/499514623.db2.gz OFYOLHVCBOLJLL-UHFFFAOYSA-N 1 2 360.820 3.047 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407881 499514920 /nfs/dbraw/zinc/51/49/20/499514920.db2.gz ZANRMBWWDMGOPZ-KBRIMQKVSA-N 1 2 352.837 3.367 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407881 499514921 /nfs/dbraw/zinc/51/49/21/499514921.db2.gz ZANRMBWWDMGOPZ-KBRIMQKVSA-N 1 2 352.837 3.367 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595310 499536245 /nfs/dbraw/zinc/53/62/45/499536245.db2.gz GVSVSTARJDWJFW-ZWKOTPCHSA-N 1 2 350.466 3.309 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595310 499536246 /nfs/dbraw/zinc/53/62/46/499536246.db2.gz GVSVSTARJDWJFW-ZWKOTPCHSA-N 1 2 350.466 3.309 20 30 FGEDLO N#Cc1ccc(N2CCC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)CC2)cc1 ZINC000377622341 499711855 /nfs/dbraw/zinc/71/18/55/499711855.db2.gz YFPRFDHAWCWYBM-FQEVSTJZSA-N 1 2 358.449 3.024 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(OC)c1OC ZINC000378068874 499757131 /nfs/dbraw/zinc/75/71/31/499757131.db2.gz ASSCEYQUOSOPDV-UHFFFAOYSA-N 1 2 355.438 3.175 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(OC)c1OC ZINC000378068874 499757132 /nfs/dbraw/zinc/75/71/32/499757132.db2.gz ASSCEYQUOSOPDV-UHFFFAOYSA-N 1 2 355.438 3.175 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378072019 499757345 /nfs/dbraw/zinc/75/73/45/499757345.db2.gz GHXNYSTYWOGICE-UHFFFAOYSA-N 1 2 352.438 3.237 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378072019 499757346 /nfs/dbraw/zinc/75/73/46/499757346.db2.gz GHXNYSTYWOGICE-UHFFFAOYSA-N 1 2 352.438 3.237 20 30 FGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1)C1CCCC1 ZINC000378123480 499760040 /nfs/dbraw/zinc/76/00/40/499760040.db2.gz YUWVYIXEXLFMLS-LJQANCHMSA-N 1 2 366.465 3.106 20 30 FGEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000411624053 499770428 /nfs/dbraw/zinc/77/04/28/499770428.db2.gz XHQHNOWWQBQHGI-CYBMUJFWSA-N 1 2 370.280 3.209 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2csnn2)c1 ZINC000412040971 499816197 /nfs/dbraw/zinc/81/61/97/499816197.db2.gz MWWWQVIGBCUNPA-LSDHHAIUSA-N 1 2 357.483 3.141 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000413239704 499931147 /nfs/dbraw/zinc/93/11/47/499931147.db2.gz ULMGRAQSMOJTPV-HNNXBMFYSA-N 1 2 366.387 3.432 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232539 500028673 /nfs/dbraw/zinc/02/86/73/500028673.db2.gz BSAXTSWZAKASMP-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232539 500028678 /nfs/dbraw/zinc/02/86/78/500028678.db2.gz BSAXTSWZAKASMP-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429257295 500035397 /nfs/dbraw/zinc/03/53/97/500035397.db2.gz ZSURQPQYTRDJQZ-CVEARBPZSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429257295 500035400 /nfs/dbraw/zinc/03/54/00/500035400.db2.gz ZSURQPQYTRDJQZ-CVEARBPZSA-N 1 2 366.440 3.235 20 30 FGEDLO Cc1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C#N)cn1 ZINC000425229510 500050931 /nfs/dbraw/zinc/05/09/31/500050931.db2.gz CBBCSZAPOZRQSM-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C)ncc3C#N)CC2)cs1 ZINC000425236327 500052608 /nfs/dbraw/zinc/05/26/08/500052608.db2.gz PYFOALQZPAVPBM-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C)ncc3C#N)CC2)cs1 ZINC000425236327 500052611 /nfs/dbraw/zinc/05/26/11/500052611.db2.gz PYFOALQZPAVPBM-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425281086 500064434 /nfs/dbraw/zinc/06/44/34/500064434.db2.gz LHLOVSKCUJFVOB-YOEHRIQHSA-N 1 2 354.410 3.039 20 30 FGEDLO CCCCn1c(SCc2ncc(C#N)cn2)nnc1[C@H](CC)[NH+](C)C ZINC000416898047 500150121 /nfs/dbraw/zinc/15/01/21/500150121.db2.gz RHRGYHZELPYBCF-AWEZNQCLSA-N 1 2 359.503 3.045 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000582297938 506180334 /nfs/dbraw/zinc/18/03/34/506180334.db2.gz PSUAZXGBZWPTKI-RNQOJCNYSA-N 1 2 366.465 3.002 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000426877718 500331969 /nfs/dbraw/zinc/33/19/69/500331969.db2.gz ZCGBAGFVIVREKP-UHFFFAOYSA-N 1 2 373.403 3.046 20 30 FGEDLO O[C@@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427024601 500346226 /nfs/dbraw/zinc/34/62/26/500346226.db2.gz UNCRKECXYPKAJM-AWEZNQCLSA-N 1 2 351.290 3.446 20 30 FGEDLO O[C@@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427024601 500346228 /nfs/dbraw/zinc/34/62/28/500346228.db2.gz UNCRKECXYPKAJM-AWEZNQCLSA-N 1 2 351.290 3.446 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000570539724 506191463 /nfs/dbraw/zinc/19/14/63/506191463.db2.gz JHNFBHBAFHXYSI-UHFFFAOYSA-N 1 2 358.490 3.229 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000427795818 500433816 /nfs/dbraw/zinc/43/38/16/500433816.db2.gz FZKVTNOVQUVVQS-HOTGVXAUSA-N 1 2 352.500 3.004 20 30 FGEDLO N#Cc1cnc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(Cl)c1 ZINC000427929813 500446599 /nfs/dbraw/zinc/44/65/99/500446599.db2.gz PWVNLKHTNFZWBD-UHFFFAOYSA-N 1 2 361.858 3.301 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000424175918 500464139 /nfs/dbraw/zinc/46/41/39/500464139.db2.gz WASQEWKGCDAPAA-UHFFFAOYSA-N 1 2 355.667 3.478 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003496 500551867 /nfs/dbraw/zinc/55/18/67/500551867.db2.gz FGHXWHUBYLZRDQ-JLSDUUJJSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003496 500551870 /nfs/dbraw/zinc/55/18/70/500551870.db2.gz FGHXWHUBYLZRDQ-JLSDUUJJSA-N 1 2 372.465 3.072 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccsc1 ZINC000421008390 500553324 /nfs/dbraw/zinc/55/33/24/500553324.db2.gz MFLQCWJNXWDZTI-CQSZACIVSA-N 1 2 363.508 3.260 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccsc1 ZINC000421008390 500553326 /nfs/dbraw/zinc/55/33/26/500553326.db2.gz MFLQCWJNXWDZTI-CQSZACIVSA-N 1 2 363.508 3.260 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@](=O)C1 ZINC000433021421 500608024 /nfs/dbraw/zinc/60/80/24/500608024.db2.gz GLGLXCCAHHRZCK-WGDIFIGCSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@](=O)C1 ZINC000433021421 500608025 /nfs/dbraw/zinc/60/80/25/500608025.db2.gz GLGLXCCAHHRZCK-WGDIFIGCSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000442731493 500616427 /nfs/dbraw/zinc/61/64/27/500616427.db2.gz JARUOINVOZKJQX-OTYXRUKQSA-N 1 2 364.268 3.259 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccccc1COc1ccccc1)CC(C)(C)C#N ZINC000433293942 500664086 /nfs/dbraw/zinc/66/40/86/500664086.db2.gz IWXMHPJHROLCMU-UHFFFAOYSA-N 1 2 365.477 3.363 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccccc1COc1ccccc1)CC(C)(C)C#N ZINC000433293942 500664088 /nfs/dbraw/zinc/66/40/88/500664088.db2.gz IWXMHPJHROLCMU-UHFFFAOYSA-N 1 2 365.477 3.363 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433306115 500667914 /nfs/dbraw/zinc/66/79/14/500667914.db2.gz REBUCBQVEQBUPC-OAHLLOKOSA-N 1 2 351.397 3.265 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433306115 500667916 /nfs/dbraw/zinc/66/79/16/500667916.db2.gz REBUCBQVEQBUPC-OAHLLOKOSA-N 1 2 351.397 3.265 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438319102 500768666 /nfs/dbraw/zinc/76/86/66/500768666.db2.gz GEPMSAYWAIRRLS-ACBHZAAOSA-N 1 2 365.433 3.147 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000448649871 500795065 /nfs/dbraw/zinc/79/50/65/500795065.db2.gz KLJOGRRZEMVWJD-AWEZNQCLSA-N 1 2 356.857 3.367 20 30 FGEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4ccccn34)CC2)c(Cl)c1 ZINC000444783644 500900178 /nfs/dbraw/zinc/90/01/78/500900178.db2.gz MHQDZJDILDINEI-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)c(Cl)c1 ZINC000444783644 500900181 /nfs/dbraw/zinc/90/01/81/500900181.db2.gz MHQDZJDILDINEI-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000435390014 500966980 /nfs/dbraw/zinc/96/69/80/500966980.db2.gz PNMOZBSIISRVRP-OAQYLSRUSA-N 1 2 362.477 3.037 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cnn1-c1cccc(C#N)c1 ZINC000440104875 500975355 /nfs/dbraw/zinc/97/53/55/500975355.db2.gz YAPOKEMQMKKZBJ-INIZCTEOSA-N 1 2 374.448 3.094 20 30 FGEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000596057256 506230801 /nfs/dbraw/zinc/23/08/01/506230801.db2.gz LEZQYOPTERPVCG-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C=CCC[C@@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OCC ZINC000449654697 501051397 /nfs/dbraw/zinc/05/13/97/501051397.db2.gz FITYTJACFUYAHV-CQSZACIVSA-N 1 2 366.259 3.084 20 30 FGEDLO COc1c(O)cccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446910110 501180726 /nfs/dbraw/zinc/18/07/26/501180726.db2.gz HVSZHEWDMFECQA-UHFFFAOYSA-N 1 2 357.841 3.248 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450248616 501218734 /nfs/dbraw/zinc/21/87/34/501218734.db2.gz XYJIDMPQRMCFNN-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668744 501282556 /nfs/dbraw/zinc/28/25/56/501282556.db2.gz MEZBVOLLQKNAKU-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668744 501282558 /nfs/dbraw/zinc/28/25/58/501282558.db2.gz MEZBVOLLQKNAKU-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)[C@H]2C)c1C#N ZINC000451452699 501295939 /nfs/dbraw/zinc/29/59/39/501295939.db2.gz FZMWOKIYKMYOQR-APWZRJJASA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)[C@H]2C)c1C#N ZINC000451452699 501295942 /nfs/dbraw/zinc/29/59/42/501295942.db2.gz FZMWOKIYKMYOQR-APWZRJJASA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cccc(CC#N)c3)CC2)cs1 ZINC000455914551 501414154 /nfs/dbraw/zinc/41/41/54/501414154.db2.gz GQTFCSGEBHYMHY-UHFFFAOYSA-N 1 2 369.494 3.257 20 30 FGEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cccc(CC#N)c3)CC2)cs1 ZINC000455914551 501414159 /nfs/dbraw/zinc/41/41/59/501414159.db2.gz GQTFCSGEBHYMHY-UHFFFAOYSA-N 1 2 369.494 3.257 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000456396452 501517011 /nfs/dbraw/zinc/51/70/11/501517011.db2.gz SLDHCKKPBQNQJT-AWEZNQCLSA-N 1 2 357.483 3.064 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000596101108 506258608 /nfs/dbraw/zinc/25/86/08/506258608.db2.gz AYVIMOCJPDYJEL-PBHICJAKSA-N 1 2 371.872 3.498 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)CCc3ccc(C#N)cc3)ccc2n1[C@H](C)CO ZINC000456723057 501586869 /nfs/dbraw/zinc/58/68/69/501586869.db2.gz RGRRKLARVDPDGD-CQSZACIVSA-N 1 2 362.433 3.341 20 30 FGEDLO Cc1cc(C)c(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c[nH+]1 ZINC000456846907 501609613 /nfs/dbraw/zinc/60/96/13/501609613.db2.gz UCUWAPPIXBPAMM-UHFFFAOYSA-N 1 2 364.449 3.042 20 30 FGEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000459425129 501652086 /nfs/dbraw/zinc/65/20/86/501652086.db2.gz LQKVMFSBZRVMCB-QGZVFWFLSA-N 1 2 369.421 3.117 20 30 FGEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000459425129 501652087 /nfs/dbraw/zinc/65/20/87/501652087.db2.gz LQKVMFSBZRVMCB-QGZVFWFLSA-N 1 2 369.421 3.117 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459551229 501675264 /nfs/dbraw/zinc/67/52/64/501675264.db2.gz RXGHHLWLKNIGMC-QGZVFWFLSA-N 1 2 356.470 3.420 20 30 FGEDLO COc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1OC(F)F ZINC000459620994 501688141 /nfs/dbraw/zinc/68/81/41/501688141.db2.gz WGZNERVHCTVZBP-UHFFFAOYSA-N 1 2 360.360 3.431 20 30 FGEDLO CCc1nc(C#N)cc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000596124400 506269649 /nfs/dbraw/zinc/26/96/49/506269649.db2.gz VVAIZGOTRSBPSL-UHFFFAOYSA-N 1 2 364.478 3.165 20 30 FGEDLO CCc1nc(C#N)cc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000596124400 506269655 /nfs/dbraw/zinc/26/96/55/506269655.db2.gz VVAIZGOTRSBPSL-UHFFFAOYSA-N 1 2 364.478 3.165 20 30 FGEDLO COc1ccc2cc(C[N@H+](C)[C@@H](C(N)=O)c3ccc(C#N)cc3)ccc2c1 ZINC000485201482 501754163 /nfs/dbraw/zinc/75/41/63/501754163.db2.gz HMIKGGRBKJJVDW-OAQYLSRUSA-N 1 2 359.429 3.378 20 30 FGEDLO COc1ccc2cc(C[N@@H+](C)[C@@H](C(N)=O)c3ccc(C#N)cc3)ccc2c1 ZINC000485201482 501754168 /nfs/dbraw/zinc/75/41/68/501754168.db2.gz HMIKGGRBKJJVDW-OAQYLSRUSA-N 1 2 359.429 3.378 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC(c4ccccc4)C3)CC2)cc1 ZINC000477939067 501834556 /nfs/dbraw/zinc/83/45/56/501834556.db2.gz UXFRXPIHGFWQEZ-UHFFFAOYSA-N 1 2 374.488 3.332 20 30 FGEDLO COc1cc[nH+]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471003779 501888363 /nfs/dbraw/zinc/88/83/63/501888363.db2.gz FVEXNMQPZFEKMM-LJQANCHMSA-N 1 2 356.857 3.126 20 30 FGEDLO N#CCCN1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000602748851 506284285 /nfs/dbraw/zinc/28/42/85/506284285.db2.gz SPZONVRCKDZJKD-UHFFFAOYSA-N 1 2 359.271 3.029 20 30 FGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485826480 501951721 /nfs/dbraw/zinc/95/17/21/501951721.db2.gz RYZKZGMGUMACAB-LJQANCHMSA-N 1 2 355.388 3.464 20 30 FGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485826480 501951728 /nfs/dbraw/zinc/95/17/28/501951728.db2.gz RYZKZGMGUMACAB-LJQANCHMSA-N 1 2 355.388 3.464 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000478592725 502027193 /nfs/dbraw/zinc/02/71/93/502027193.db2.gz KGIWNYRMSLNNRU-QFIPXVFZSA-N 1 2 358.445 3.302 20 30 FGEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2)cc1 ZINC000461192360 502034091 /nfs/dbraw/zinc/03/40/91/502034091.db2.gz QFHDCZNTBVJZDX-UHFFFAOYSA-N 1 2 358.401 3.397 20 30 FGEDLO C=CCc1cc(CNc2[nH+]c3c(cccc3OC)n2C)cc(OC)c1O ZINC000471484504 502042369 /nfs/dbraw/zinc/04/23/69/502042369.db2.gz RAIUPZMDILHCFG-UHFFFAOYSA-N 1 2 353.422 3.059 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000486233270 502092097 /nfs/dbraw/zinc/09/20/97/502092097.db2.gz OEZSYTIDRTUSLY-OAQYLSRUSA-N 1 2 374.488 3.103 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC(C)(C#N)C4)cc3)cn2c1 ZINC000482588724 502119004 /nfs/dbraw/zinc/11/90/04/502119004.db2.gz RCJNXVVEYMXNFQ-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000475401896 502161093 /nfs/dbraw/zinc/16/10/93/502161093.db2.gz PMLWKXOJKUSYSW-UHFFFAOYSA-N 1 2 366.465 3.100 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461942751 502246285 /nfs/dbraw/zinc/24/62/85/502246285.db2.gz URQDEKYVMSTXIB-HFTRVMKXSA-N 1 2 360.889 3.420 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483096710 502270036 /nfs/dbraw/zinc/27/00/36/502270036.db2.gz JXJOZOLOLOCSGX-HNNXBMFYSA-N 1 2 366.339 3.289 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1C ZINC000483340944 502355158 /nfs/dbraw/zinc/35/51/58/502355158.db2.gz LLPPSOVIWZLGTD-OAQYLSRUSA-N 1 2 360.498 3.134 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1C ZINC000483340944 502355163 /nfs/dbraw/zinc/35/51/63/502355163.db2.gz LLPPSOVIWZLGTD-OAQYLSRUSA-N 1 2 360.498 3.134 20 30 FGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483425035 502387203 /nfs/dbraw/zinc/38/72/03/502387203.db2.gz GONVCDWRENQDHT-MAUKXSAKSA-N 1 2 369.383 3.207 20 30 FGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483425035 502387209 /nfs/dbraw/zinc/38/72/09/502387209.db2.gz GONVCDWRENQDHT-MAUKXSAKSA-N 1 2 369.383 3.207 20 30 FGEDLO CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000487270683 502405813 /nfs/dbraw/zinc/40/58/13/502405813.db2.gz QRYZRQPVCLCKMZ-AABGKKOBSA-N 1 2 357.498 3.427 20 30 FGEDLO CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC000487270683 502405817 /nfs/dbraw/zinc/40/58/17/502405817.db2.gz QRYZRQPVCLCKMZ-AABGKKOBSA-N 1 2 357.498 3.427 20 30 FGEDLO CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000487270693 502406082 /nfs/dbraw/zinc/40/60/82/502406082.db2.gz QRYZRQPVCLCKMZ-HSALFYBXSA-N 1 2 357.498 3.427 20 30 FGEDLO CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC000487270693 502406085 /nfs/dbraw/zinc/40/60/85/502406085.db2.gz QRYZRQPVCLCKMZ-HSALFYBXSA-N 1 2 357.498 3.427 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000479886577 502409427 /nfs/dbraw/zinc/40/94/27/502409427.db2.gz NHZNGGLOYNIBIG-URLQWDBASA-N 1 2 356.495 3.265 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602815347 506312114 /nfs/dbraw/zinc/31/21/14/506312114.db2.gz JCRHVOSOGQHUDA-UHFFFAOYSA-N 1 2 367.478 3.137 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000476237291 502425115 /nfs/dbraw/zinc/42/51/15/502425115.db2.gz XDKGZIWFRNAIFB-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000462481730 502457824 /nfs/dbraw/zinc/45/78/24/502457824.db2.gz YYRAWKRTPLWYKD-KRWDZBQOSA-N 1 2 367.453 3.220 20 30 FGEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C)c1C ZINC000462953890 502641291 /nfs/dbraw/zinc/64/12/91/502641291.db2.gz OGOWZPYXCCGQJO-UXHICEINSA-N 1 2 351.450 3.392 20 30 FGEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C)c1C ZINC000462953890 502641295 /nfs/dbraw/zinc/64/12/95/502641295.db2.gz OGOWZPYXCCGQJO-UXHICEINSA-N 1 2 351.450 3.392 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1C#N ZINC000488202274 502656499 /nfs/dbraw/zinc/65/64/99/502656499.db2.gz SQFULTRHRHEVQI-UHFFFAOYSA-N 1 2 373.416 3.309 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@H](C)N1CC#N ZINC000602856135 506326936 /nfs/dbraw/zinc/32/69/36/506326936.db2.gz IYUWDJVFACXOLD-OKILXGFUSA-N 1 2 371.510 3.095 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@H](C)N1CC#N ZINC000602856135 506326941 /nfs/dbraw/zinc/32/69/41/506326941.db2.gz IYUWDJVFACXOLD-OKILXGFUSA-N 1 2 371.510 3.095 20 30 FGEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854356 506327886 /nfs/dbraw/zinc/32/78/86/506327886.db2.gz BLXVWJKXPKHGQS-MELADBBJSA-N 1 2 359.861 3.369 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000488337434 502688548 /nfs/dbraw/zinc/68/85/48/502688548.db2.gz JEXYWJFPTLJQLH-QKKBWIMNSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000488337434 502688553 /nfs/dbraw/zinc/68/85/53/502688553.db2.gz JEXYWJFPTLJQLH-QKKBWIMNSA-N 1 2 360.392 3.152 20 30 FGEDLO CCN(C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1cccc2ccccc21 ZINC000602856636 506328892 /nfs/dbraw/zinc/32/88/92/506328892.db2.gz LSHFYUMPTDGJGL-QZTJIDSGSA-N 1 2 364.493 3.111 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857650 506329153 /nfs/dbraw/zinc/32/91/53/506329153.db2.gz XAMRGUKDMFUZKY-WMLDXEAASA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857650 506329161 /nfs/dbraw/zinc/32/91/61/506329161.db2.gz XAMRGUKDMFUZKY-WMLDXEAASA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857648 506329342 /nfs/dbraw/zinc/32/93/42/506329342.db2.gz XAMRGUKDMFUZKY-PBHICJAKSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857648 506329349 /nfs/dbraw/zinc/32/93/49/506329349.db2.gz XAMRGUKDMFUZKY-PBHICJAKSA-N 1 2 352.438 3.370 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc(OC)c1 ZINC000488451436 502718849 /nfs/dbraw/zinc/71/88/49/502718849.db2.gz SIZGAHAHBRFTDY-UHFFFAOYSA-N 1 2 365.477 3.202 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000488569877 502753210 /nfs/dbraw/zinc/75/32/10/502753210.db2.gz ZWAVGZYDWZQKKA-UHFFFAOYSA-N 1 2 373.884 3.164 20 30 FGEDLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000488574657 502754809 /nfs/dbraw/zinc/75/48/09/502754809.db2.gz RPTMFGZKVYZRCP-IFXJQAMLSA-N 1 2 353.853 3.488 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000477397639 502763853 /nfs/dbraw/zinc/76/38/53/502763853.db2.gz YULBKAZSOUHLKJ-UHFFFAOYSA-N 1 2 373.460 3.492 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#Cc3cccc(F)c3)cn2c1 ZINC000513218497 502881566 /nfs/dbraw/zinc/88/15/66/502881566.db2.gz JCDNFMWGKNBITE-UHFFFAOYSA-N 1 2 367.449 3.183 20 30 FGEDLO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000496767338 502904577 /nfs/dbraw/zinc/90/45/77/502904577.db2.gz FAYQFYABSYPPFA-UHFFFAOYSA-N 1 2 367.478 3.025 20 30 FGEDLO CCOC(=O)c1ncc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)s1 ZINC000602899380 506343313 /nfs/dbraw/zinc/34/33/13/506343313.db2.gz IBZXBJQKGHISIS-UHFFFAOYSA-N 1 2 370.478 3.268 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000513754375 503016750 /nfs/dbraw/zinc/01/67/50/503016750.db2.gz KJXCXSJUHFBWPE-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000506014017 503029092 /nfs/dbraw/zinc/02/90/92/503029092.db2.gz WUWRSKMFHKMGGO-UHFFFAOYSA-N 1 2 351.450 3.434 20 30 FGEDLO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1(C#N)CC1 ZINC000501532077 503031038 /nfs/dbraw/zinc/03/10/38/503031038.db2.gz MEFJPAUWMYZJFM-UHFFFAOYSA-N 1 2 355.463 3.223 20 30 FGEDLO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1(C#N)CC1 ZINC000501532077 503031044 /nfs/dbraw/zinc/03/10/44/503031044.db2.gz MEFJPAUWMYZJFM-UHFFFAOYSA-N 1 2 355.463 3.223 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506101143 503048029 /nfs/dbraw/zinc/04/80/29/503048029.db2.gz NIPUEPNFQLXVLL-UHFFFAOYSA-N 1 2 365.477 3.283 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513974501 503059122 /nfs/dbraw/zinc/05/91/22/503059122.db2.gz ORORERLAOIZHCK-ORAYPTAESA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513974501 503059128 /nfs/dbraw/zinc/05/91/28/503059128.db2.gz ORORERLAOIZHCK-ORAYPTAESA-N 1 2 355.800 3.325 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510422581 503112001 /nfs/dbraw/zinc/11/20/01/503112001.db2.gz AXOHZXKONBWPGL-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510422581 503112009 /nfs/dbraw/zinc/11/20/09/503112009.db2.gz AXOHZXKONBWPGL-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#Cc1ccccc1OCCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510422581 503112013 /nfs/dbraw/zinc/11/20/13/503112013.db2.gz AXOHZXKONBWPGL-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000510945701 503222755 /nfs/dbraw/zinc/22/27/55/503222755.db2.gz JHZCSSJYDPVDAJ-CQSZACIVSA-N 1 2 356.228 3.426 20 30 FGEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC000507307305 503274375 /nfs/dbraw/zinc/27/43/75/503274375.db2.gz STHAMBBUIRWJAU-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c1C#N ZINC000515160352 503282163 /nfs/dbraw/zinc/28/21/63/503282163.db2.gz PWSRFXHHMMBKNF-UHFFFAOYSA-N 1 2 370.507 3.097 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000515466756 503343904 /nfs/dbraw/zinc/34/39/04/503343904.db2.gz RUHALKADHNTTGT-AWEZNQCLSA-N 1 2 369.494 3.242 20 30 FGEDLO C[C@@](CO)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000511572048 503345694 /nfs/dbraw/zinc/34/56/94/503345694.db2.gz CYZNTHMKJJAHHN-KRWDZBQOSA-N 1 2 363.230 3.457 20 30 FGEDLO CC[N@H+](CC(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1Cl ZINC000499182488 503351238 /nfs/dbraw/zinc/35/12/38/503351238.db2.gz XTFOJEIUQYHHJA-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1Cl ZINC000499182488 503351241 /nfs/dbraw/zinc/35/12/41/503351241.db2.gz XTFOJEIUQYHHJA-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(OC(F)F)c1 ZINC000511650349 503362208 /nfs/dbraw/zinc/36/22/08/503362208.db2.gz SWGHTSRYUTULOL-QWHCGFSZSA-N 1 2 364.314 3.152 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(OC(F)F)c1 ZINC000511650349 503362209 /nfs/dbraw/zinc/36/22/09/503362209.db2.gz SWGHTSRYUTULOL-QWHCGFSZSA-N 1 2 364.314 3.152 20 30 FGEDLO Cc1cc[nH+]c(N2CCN(Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000492487463 503371572 /nfs/dbraw/zinc/37/15/72/503371572.db2.gz RJYBKZJEZBYILK-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CN(C(=O)c1ncc(C#N)cc1Cl)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493248411 503415302 /nfs/dbraw/zinc/41/53/02/503415302.db2.gz NJOXJKXFJAHBFP-INIZCTEOSA-N 1 2 351.797 3.191 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512164949 503474455 /nfs/dbraw/zinc/47/44/55/503474455.db2.gz JVYFXSCLDQAJAA-QFIPXVFZSA-N 1 2 368.477 3.418 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512164949 503474461 /nfs/dbraw/zinc/47/44/61/503474461.db2.gz JVYFXSCLDQAJAA-QFIPXVFZSA-N 1 2 368.477 3.418 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000512184607 503479677 /nfs/dbraw/zinc/47/96/77/503479677.db2.gz XSZUVUZLQJWPDK-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000512184607 503479679 /nfs/dbraw/zinc/47/96/79/503479679.db2.gz XSZUVUZLQJWPDK-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000512214968 503488788 /nfs/dbraw/zinc/48/87/88/503488788.db2.gz YPKVIRRNRPFTOX-AWEZNQCLSA-N 1 2 353.422 3.298 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000512214968 503488791 /nfs/dbraw/zinc/48/87/91/503488791.db2.gz YPKVIRRNRPFTOX-AWEZNQCLSA-N 1 2 353.422 3.298 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000512214436 503489063 /nfs/dbraw/zinc/48/90/63/503489063.db2.gz VZAPNNNBUDZPAU-HXUWFJFHSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000512214436 503489066 /nfs/dbraw/zinc/48/90/66/503489066.db2.gz VZAPNNNBUDZPAU-HXUWFJFHSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000512219117 503489442 /nfs/dbraw/zinc/48/94/42/503489442.db2.gz NNILDVHMPPLXFS-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000512219117 503489445 /nfs/dbraw/zinc/48/94/45/503489445.db2.gz NNILDVHMPPLXFS-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000512217566 503489735 /nfs/dbraw/zinc/48/97/35/503489735.db2.gz GGVQGELAOSRURY-ROUUACIJSA-N 1 2 370.493 3.458 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000512217566 503489740 /nfs/dbraw/zinc/48/97/40/503489740.db2.gz GGVQGELAOSRURY-ROUUACIJSA-N 1 2 370.493 3.458 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494268494 503517351 /nfs/dbraw/zinc/51/73/51/503517351.db2.gz OZYHUUKAJNNRDX-NSHDSACASA-N 1 2 372.694 3.295 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494268494 503517352 /nfs/dbraw/zinc/51/73/52/503517352.db2.gz OZYHUUKAJNNRDX-NSHDSACASA-N 1 2 372.694 3.295 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000499985009 503527140 /nfs/dbraw/zinc/52/71/40/503527140.db2.gz BIYKETBWFKENTD-SFHVURJKSA-N 1 2 371.506 3.428 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000499985009 503527143 /nfs/dbraw/zinc/52/71/43/503527143.db2.gz BIYKETBWFKENTD-SFHVURJKSA-N 1 2 371.506 3.428 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023204 503534768 /nfs/dbraw/zinc/53/47/68/503534768.db2.gz GVNSZKJQHRIFEE-ZBFHGGJFSA-N 1 2 363.889 3.003 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023204 503534771 /nfs/dbraw/zinc/53/47/71/503534771.db2.gz GVNSZKJQHRIFEE-ZBFHGGJFSA-N 1 2 363.889 3.003 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000512521566 503576138 /nfs/dbraw/zinc/57/61/38/503576138.db2.gz GXQPJKHVRVFDBO-UHFFFAOYSA-N 1 2 371.510 3.420 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000512521566 503576142 /nfs/dbraw/zinc/57/61/42/503576142.db2.gz GXQPJKHVRVFDBO-UHFFFAOYSA-N 1 2 371.510 3.420 20 30 FGEDLO C=CC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)c1ccccc1 ZINC000516777332 503585557 /nfs/dbraw/zinc/58/55/57/503585557.db2.gz WKSPOMSYMRKYLO-FQEVSTJZSA-N 1 2 363.465 3.005 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000494699747 503595045 /nfs/dbraw/zinc/59/50/45/503595045.db2.gz RRYFLHRIQGGWDK-VQTJNVASSA-N 1 2 357.498 3.118 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ccccc3Cl)CC2)CCCCC1 ZINC000517202396 503672031 /nfs/dbraw/zinc/67/20/31/503672031.db2.gz GIMGNKFQEFDEQK-UHFFFAOYSA-N 1 2 374.916 3.195 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ccccc3Cl)CC2)CCCCC1 ZINC000517202396 503672037 /nfs/dbraw/zinc/67/20/37/503672037.db2.gz GIMGNKFQEFDEQK-UHFFFAOYSA-N 1 2 374.916 3.195 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000533002508 503693596 /nfs/dbraw/zinc/69/35/96/503693596.db2.gz JNKHJJNQNLFHOV-UHFFFAOYSA-N 1 2 360.816 3.410 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000533002508 503693601 /nfs/dbraw/zinc/69/36/01/503693601.db2.gz JNKHJJNQNLFHOV-UHFFFAOYSA-N 1 2 360.816 3.410 20 30 FGEDLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527297927 503756188 /nfs/dbraw/zinc/75/61/88/503756188.db2.gz YYGXLNPPJDCCEX-INIZCTEOSA-N 1 2 353.466 3.125 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1Cl ZINC000543442595 503772714 /nfs/dbraw/zinc/77/27/14/503772714.db2.gz HUNQLEUSURHCOQ-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000543545428 503809137 /nfs/dbraw/zinc/80/91/37/503809137.db2.gz QTZCSSBPIQEQDW-KBPBESRZSA-N 1 2 367.515 3.092 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc([S@@](C)=O)cc1 ZINC000537167053 503824851 /nfs/dbraw/zinc/82/48/51/503824851.db2.gz PCYOSEIDKCILPW-ZBSNKRKSSA-N 1 2 366.446 3.196 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000537184836 503831266 /nfs/dbraw/zinc/83/12/66/503831266.db2.gz GHQUNBXRORPVFE-AZUAARDMSA-N 1 2 359.514 3.412 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000546710303 503847639 /nfs/dbraw/zinc/84/76/39/503847639.db2.gz ZTTMPLYWIHXNJV-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533524147 503874304 /nfs/dbraw/zinc/87/43/04/503874304.db2.gz DMTNPJLNVADFQH-VQIMIIECSA-N 1 2 367.497 3.108 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533524147 503874312 /nfs/dbraw/zinc/87/43/12/503874312.db2.gz DMTNPJLNVADFQH-VQIMIIECSA-N 1 2 367.497 3.108 20 30 FGEDLO C=CCCOCCCCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000537324532 503879609 /nfs/dbraw/zinc/87/96/09/503879609.db2.gz BLXRQNXHHPASSV-UHFFFAOYSA-N 1 2 372.469 3.101 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000533954858 504000387 /nfs/dbraw/zinc/00/03/87/504000387.db2.gz CHPCHHOZUBZJAH-MRXNPFEDSA-N 1 2 372.538 3.231 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000530716992 504063133 /nfs/dbraw/zinc/06/31/33/504063133.db2.gz MZSBQFWKIAZVRS-UHFFFAOYSA-N 1 2 360.417 3.143 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H](C)O1 ZINC000531842083 504443025 /nfs/dbraw/zinc/44/30/25/504443025.db2.gz BCVYUHKYCJIWGD-NVXWUHKLSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H](C)O1 ZINC000531842083 504443030 /nfs/dbraw/zinc/44/30/30/504443030.db2.gz BCVYUHKYCJIWGD-NVXWUHKLSA-N 1 2 363.889 3.394 20 30 FGEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000548460748 504454418 /nfs/dbraw/zinc/45/44/18/504454418.db2.gz OHIGXISQCMIPLV-UHFFFAOYSA-N 1 2 364.380 3.196 20 30 FGEDLO Cc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1-n1nnnc1C(C)C ZINC000542483573 504508865 /nfs/dbraw/zinc/50/88/65/504508865.db2.gz QAINGHHGKXCTQD-UHFFFAOYSA-N 1 2 372.436 3.226 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1 ZINC000539377907 504546855 /nfs/dbraw/zinc/54/68/55/504546855.db2.gz YSLKBBSVBMNRBI-KRWDZBQOSA-N 1 2 352.369 3.225 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000532413891 504640997 /nfs/dbraw/zinc/64/09/97/504640997.db2.gz ABZIDVHLNGKXOZ-AEFFLSMTSA-N 1 2 350.528 3.448 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000532413891 504641000 /nfs/dbraw/zinc/64/10/00/504641000.db2.gz ABZIDVHLNGKXOZ-AEFFLSMTSA-N 1 2 350.528 3.448 20 30 FGEDLO COC(=O)c1cc2c(o1)c(OC)ccc2CNc1cc(CC#N)cc[nH+]1 ZINC000545927149 504641647 /nfs/dbraw/zinc/64/16/47/504641647.db2.gz QDTRGRGBVNTVKC-UHFFFAOYSA-N 1 2 351.362 3.301 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521350402 504716129 /nfs/dbraw/zinc/71/61/29/504716129.db2.gz LPKKAUSCBDNDDH-YLJYHZDGSA-N 1 2 354.498 3.212 20 30 FGEDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1C#N ZINC000543139030 504738984 /nfs/dbraw/zinc/73/89/84/504738984.db2.gz SVIXTJCNFULALN-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000549270802 504778656 /nfs/dbraw/zinc/77/86/56/504778656.db2.gz PLXIVJCZHSUBLG-UHFFFAOYSA-N 1 2 351.907 3.200 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000559156941 504794366 /nfs/dbraw/zinc/79/43/66/504794366.db2.gz SPDRMRJUKOMFMJ-MRXNPFEDSA-N 1 2 370.522 3.007 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000565168713 504814664 /nfs/dbraw/zinc/81/46/64/504814664.db2.gz FEIKWUQUBFRHEG-OAHLLOKOSA-N 1 2 353.470 3.390 20 30 FGEDLO CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000559268012 504814687 /nfs/dbraw/zinc/81/46/87/504814687.db2.gz UJTIKEPGDYHNNL-HKUYNNGSSA-N 1 2 359.470 3.197 20 30 FGEDLO CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000559268012 504814689 /nfs/dbraw/zinc/81/46/89/504814689.db2.gz UJTIKEPGDYHNNL-HKUYNNGSSA-N 1 2 359.470 3.197 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000549812604 504905444 /nfs/dbraw/zinc/90/54/44/504905444.db2.gz TVMSIUSIHXPVKP-LJQANCHMSA-N 1 2 350.418 3.420 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000550112818 504969105 /nfs/dbraw/zinc/96/91/05/504969105.db2.gz UWURLCZVBTURNP-BFUOFWGJSA-N 1 2 363.889 3.150 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000550112818 504969109 /nfs/dbraw/zinc/96/91/09/504969109.db2.gz UWURLCZVBTURNP-BFUOFWGJSA-N 1 2 363.889 3.150 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000550167599 504983776 /nfs/dbraw/zinc/98/37/76/504983776.db2.gz WDPCYHXYDKLUDW-UYAOXDASSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000550167599 504983778 /nfs/dbraw/zinc/98/37/78/504983778.db2.gz WDPCYHXYDKLUDW-UYAOXDASSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc1 ZINC000560074528 504985010 /nfs/dbraw/zinc/98/50/10/504985010.db2.gz IIEDOSIRSMOMRO-QFIPXVFZSA-N 1 2 367.493 3.204 20 30 FGEDLO C=CCC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)c1ccccc1 ZINC000565864373 505009759 /nfs/dbraw/zinc/00/97/59/505009759.db2.gz PSLWZLZGVOKGFN-FQEVSTJZSA-N 1 2 365.477 3.351 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000550502328 505055416 /nfs/dbraw/zinc/05/54/16/505055416.db2.gz GXLIPJADWCZEAY-UHFFFAOYSA-N 1 2 360.435 3.078 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000550502328 505055418 /nfs/dbraw/zinc/05/54/18/505055418.db2.gz GXLIPJADWCZEAY-UHFFFAOYSA-N 1 2 360.435 3.078 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000566184592 505106908 /nfs/dbraw/zinc/10/69/08/505106908.db2.gz NPIIFXUAKVYZCJ-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000566184592 505106911 /nfs/dbraw/zinc/10/69/11/505106911.db2.gz NPIIFXUAKVYZCJ-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(C[NH+]4CCCC4)c3)nc21 ZINC000554323713 505145152 /nfs/dbraw/zinc/14/51/52/505145152.db2.gz UJIVVKVHXQOUCZ-QGZVFWFLSA-N 1 2 359.433 3.352 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563641043 505200016 /nfs/dbraw/zinc/20/00/16/505200016.db2.gz XMCJTDUXGBMKGN-JKSUJKDBSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563641043 505200020 /nfs/dbraw/zinc/20/00/20/505200020.db2.gz XMCJTDUXGBMKGN-JKSUJKDBSA-N 1 2 364.852 3.217 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000561568544 505379745 /nfs/dbraw/zinc/37/97/45/505379745.db2.gz HCLOIGAFPLTITN-UHFFFAOYSA-N 1 2 350.422 3.207 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]2COC)cc1OC ZINC000552084222 505394049 /nfs/dbraw/zinc/39/40/49/505394049.db2.gz WAXKVQMZUHLGGT-ZDUSSCGKSA-N 1 2 356.260 3.243 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]2COC)cc1OC ZINC000552084222 505394045 /nfs/dbraw/zinc/39/40/45/505394045.db2.gz WAXKVQMZUHLGGT-ZDUSSCGKSA-N 1 2 356.260 3.243 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000555761878 505510038 /nfs/dbraw/zinc/51/00/38/505510038.db2.gz OKSDBEPKZXFZQR-FQEVSTJZSA-N 1 2 360.885 3.092 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000555761878 505510041 /nfs/dbraw/zinc/51/00/41/505510041.db2.gz OKSDBEPKZXFZQR-FQEVSTJZSA-N 1 2 360.885 3.092 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000567723188 505549206 /nfs/dbraw/zinc/54/92/06/505549206.db2.gz VLASMZGCQOPRRR-UHFFFAOYSA-N 1 2 369.472 3.333 20 30 FGEDLO N#CCCC1CC[NH+](CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 ZINC000564915079 505557269 /nfs/dbraw/zinc/55/72/69/505557269.db2.gz ASRMICUQGJUJMI-UHFFFAOYSA-N 1 2 357.376 3.186 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C#N ZINC000599252174 506386688 /nfs/dbraw/zinc/38/66/88/506386688.db2.gz NBCCQRADXYHKOD-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1ccc(C(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000603099318 506418033 /nfs/dbraw/zinc/41/80/33/506418033.db2.gz JSGOIRMBFODNSP-IAGOWNOFSA-N 1 2 364.449 3.241 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)c2ccccc2c1 ZINC000593153304 506427699 /nfs/dbraw/zinc/42/76/99/506427699.db2.gz UYVYTVNUZWYLQG-QGZVFWFLSA-N 1 2 360.255 3.176 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC000599380490 506435006 /nfs/dbraw/zinc/43/50/06/506435006.db2.gz QGTISFXRWXNNEK-SMDDNHRTSA-N 1 2 363.248 3.442 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)CC2 ZINC000599402979 506442833 /nfs/dbraw/zinc/44/28/33/506442833.db2.gz JACDHQOIBOQMGR-SJLPKXTDSA-N 1 2 350.466 3.433 20 30 FGEDLO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000589183365 506473033 /nfs/dbraw/zinc/47/30/33/506473033.db2.gz CZBXFGCGLJJQNV-GJZGRUSLSA-N 1 2 365.433 3.125 20 30 FGEDLO N#Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ncc1Br ZINC000603290818 506478455 /nfs/dbraw/zinc/47/84/55/506478455.db2.gz YIQUQMWBXWESDB-UHFFFAOYSA-N 1 2 360.137 3.087 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195960 506479742 /nfs/dbraw/zinc/47/97/42/506479742.db2.gz QEFUTLDRQQNVNG-QZTJIDSGSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195960 506479748 /nfs/dbraw/zinc/47/97/48/506479748.db2.gz QEFUTLDRQQNVNG-QZTJIDSGSA-N 1 2 355.825 3.092 20 30 FGEDLO CC(C)(C#N)c1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC000593281923 506510597 /nfs/dbraw/zinc/51/05/97/506510597.db2.gz VRXZMHGPSISINV-UHFFFAOYSA-N 1 2 370.478 3.284 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000599629515 506538093 /nfs/dbraw/zinc/53/80/93/506538093.db2.gz HOHMIIQKGMAZBM-UHFFFAOYSA-N 1 2 362.389 3.134 20 30 FGEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OCC(F)F ZINC000583051441 506560911 /nfs/dbraw/zinc/56/09/11/506560911.db2.gz PBZYYCVCUSRBHR-GFCCVEGCSA-N 1 2 354.397 3.472 20 30 FGEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OCC(F)F ZINC000583051441 506560917 /nfs/dbraw/zinc/56/09/17/506560917.db2.gz PBZYYCVCUSRBHR-GFCCVEGCSA-N 1 2 354.397 3.472 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000596736286 506570110 /nfs/dbraw/zinc/57/01/10/506570110.db2.gz OXPJLXNIAMAQJU-INIZCTEOSA-N 1 2 353.426 3.120 20 30 FGEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685728 506580874 /nfs/dbraw/zinc/58/08/74/506580874.db2.gz IOFOFNASSXILDI-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685728 506580878 /nfs/dbraw/zinc/58/08/78/506580878.db2.gz IOFOFNASSXILDI-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(Br)c1 ZINC000590053298 506717791 /nfs/dbraw/zinc/71/77/91/506717791.db2.gz SYDBQQYEXFTCKM-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[N@H+](Cc1ncc(I)s1)Cc1cccc(C#N)c1 ZINC000583348670 506730140 /nfs/dbraw/zinc/73/01/40/506730140.db2.gz ZNZBBEFCPOHEJM-UHFFFAOYSA-N 1 2 369.231 3.251 20 30 FGEDLO C[N@@H+](Cc1ncc(I)s1)Cc1cccc(C#N)c1 ZINC000583348670 506730142 /nfs/dbraw/zinc/73/01/42/506730142.db2.gz ZNZBBEFCPOHEJM-UHFFFAOYSA-N 1 2 369.231 3.251 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)cc1F ZINC000608884880 506736362 /nfs/dbraw/zinc/73/63/62/506736362.db2.gz JSGYSKFOHUYRMF-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[NH+]1CCC(CC#N)CC1 ZINC000590113057 506738885 /nfs/dbraw/zinc/73/88/85/506738885.db2.gz FTFLAVKKJYENLY-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000583434223 506777666 /nfs/dbraw/zinc/77/76/66/506777666.db2.gz VNOWEHUFTKFHFP-CVEARBPZSA-N 1 2 373.522 3.256 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000583434223 506777671 /nfs/dbraw/zinc/77/76/71/506777671.db2.gz VNOWEHUFTKFHFP-CVEARBPZSA-N 1 2 373.522 3.256 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)cc1 ZINC000583436522 506778217 /nfs/dbraw/zinc/77/82/17/506778217.db2.gz LJAJYTPMFANECK-MRXNPFEDSA-N 1 2 366.795 3.333 20 30 FGEDLO N#CC1(CC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000590320063 506793552 /nfs/dbraw/zinc/79/35/52/506793552.db2.gz URQKZUJFRNDUOB-UHFFFAOYSA-N 1 2 366.292 3.374 20 30 FGEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000590600256 506876634 /nfs/dbraw/zinc/87/66/34/506876634.db2.gz IEMJCPNPRNNHCP-INIZCTEOSA-N 1 2 374.916 3.193 20 30 FGEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000590600256 506876643 /nfs/dbraw/zinc/87/66/43/506876643.db2.gz IEMJCPNPRNNHCP-INIZCTEOSA-N 1 2 374.916 3.193 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Br ZINC000609593703 506936703 /nfs/dbraw/zinc/93/67/03/506936703.db2.gz DSBNISATAUGIFL-CQSZACIVSA-N 1 2 355.195 3.091 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609634685 506955322 /nfs/dbraw/zinc/95/53/22/506955322.db2.gz QIZHVQPKPBPJNX-DLBZAZTESA-N 1 2 363.465 3.103 20 30 FGEDLO C[C@](C#N)(NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000609640979 506958488 /nfs/dbraw/zinc/95/84/88/506958488.db2.gz UPFIDUOOCGHFNU-OAQYLSRUSA-N 1 2 355.482 3.111 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000594215860 507015710 /nfs/dbraw/zinc/01/57/10/507015710.db2.gz GHZINIDBWJCUAM-INIZCTEOSA-N 1 2 353.491 3.143 20 30 FGEDLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583903880 507040726 /nfs/dbraw/zinc/04/07/26/507040726.db2.gz QBQNFNDWOIAWHY-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583903880 507040734 /nfs/dbraw/zinc/04/07/34/507040734.db2.gz QBQNFNDWOIAWHY-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO N#CC1(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CCCCC1 ZINC000597640533 507042978 /nfs/dbraw/zinc/04/29/78/507042978.db2.gz LGZQTPAPYYOSMH-UHFFFAOYSA-N 1 2 360.527 3.471 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000590951245 507055908 /nfs/dbraw/zinc/05/59/08/507055908.db2.gz SDGQHTZAYUPHHB-UHFFFAOYSA-N 1 2 370.453 3.127 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(C#N)cc3)cn2c1 ZINC000597892860 507159852 /nfs/dbraw/zinc/15/98/52/507159852.db2.gz OQSMOFNAPHUUMR-UHFFFAOYSA-N 1 2 364.474 3.107 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000610391069 507224060 /nfs/dbraw/zinc/22/40/60/507224060.db2.gz OEEANXVKKQSBTA-INIZCTEOSA-N 1 2 355.404 3.293 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610405989 507227964 /nfs/dbraw/zinc/22/79/64/507227964.db2.gz OHUNACYGBOWDLR-FQEVSTJZSA-N 1 2 373.460 3.417 20 30 FGEDLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000610403622 507228630 /nfs/dbraw/zinc/22/86/30/507228630.db2.gz XADPUCADWZCRQE-SCLBCKFNSA-N 1 2 372.419 3.500 20 30 FGEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC2(CC2)C1 ZINC000601149605 507278007 /nfs/dbraw/zinc/27/80/07/507278007.db2.gz NIZKPNVXNCOFMV-CQSZACIVSA-N 1 2 359.420 3.129 20 30 FGEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC2(CC2)C1 ZINC000601149605 507278008 /nfs/dbraw/zinc/27/80/08/507278008.db2.gz NIZKPNVXNCOFMV-CQSZACIVSA-N 1 2 359.420 3.129 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594779370 507279298 /nfs/dbraw/zinc/27/92/98/507279298.db2.gz QJIVWONKBYGDLE-LBPRGKRZSA-N 1 2 374.491 3.337 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000605902713 507299990 /nfs/dbraw/zinc/29/99/90/507299990.db2.gz QMEMCNYWKASUGA-UYAOXDASSA-N 1 2 371.477 3.384 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000605902713 507299997 /nfs/dbraw/zinc/29/99/97/507299997.db2.gz QMEMCNYWKASUGA-UYAOXDASSA-N 1 2 371.477 3.384 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000591817529 507377125 /nfs/dbraw/zinc/37/71/25/507377125.db2.gz IXPMMGPANQVWSP-UHFFFAOYSA-N 1 2 366.421 3.106 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820187 507378945 /nfs/dbraw/zinc/37/89/45/507378945.db2.gz GYFCZGGGWDDWGJ-KDOFPFPSSA-N 1 2 368.506 3.377 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820187 507378948 /nfs/dbraw/zinc/37/89/48/507378948.db2.gz GYFCZGGGWDDWGJ-KDOFPFPSSA-N 1 2 368.506 3.377 20 30 FGEDLO N#Cc1cnccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133514 507499189 /nfs/dbraw/zinc/49/91/89/507499189.db2.gz XEWALCLZZOIOMA-WGSAOQKQSA-N 1 2 366.421 3.167 20 30 FGEDLO N#Cc1cnccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133514 507499197 /nfs/dbraw/zinc/49/91/97/507499197.db2.gz XEWALCLZZOIOMA-WGSAOQKQSA-N 1 2 366.421 3.167 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148835 507510009 /nfs/dbraw/zinc/51/00/09/507510009.db2.gz CQOFOZUPYRHDHL-KKSFZXQISA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148835 507510015 /nfs/dbraw/zinc/51/00/15/507510015.db2.gz CQOFOZUPYRHDHL-KKSFZXQISA-N 1 2 365.433 3.156 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000598604360 507515868 /nfs/dbraw/zinc/51/58/68/507515868.db2.gz LTRVGATUAIAAEW-CYBMUJFWSA-N 1 2 356.297 3.416 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000598604610 507516677 /nfs/dbraw/zinc/51/66/77/507516677.db2.gz OEVHPGSXJFAQFH-NSHDSACASA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000598604610 507516683 /nfs/dbraw/zinc/51/66/83/507516683.db2.gz OEVHPGSXJFAQFH-NSHDSACASA-N 1 2 355.251 3.247 20 30 FGEDLO N#CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000598679090 507549223 /nfs/dbraw/zinc/54/92/23/507549223.db2.gz XAHGJKSDTGWBDQ-AWEZNQCLSA-N 1 2 358.230 3.333 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000595610167 507587330 /nfs/dbraw/zinc/58/73/30/507587330.db2.gz SKZKVQANPZEDMP-NVXWUHKLSA-N 1 2 366.421 3.176 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000595610167 507587335 /nfs/dbraw/zinc/58/73/35/507587335.db2.gz SKZKVQANPZEDMP-NVXWUHKLSA-N 1 2 366.421 3.176 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000611271035 507593710 /nfs/dbraw/zinc/59/37/10/507593710.db2.gz GKNXQRAWPMKZGI-SFHVURJKSA-N 1 2 361.898 3.124 20 30 FGEDLO C=CCc1cc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)cc(OC)c1O ZINC000611270328 507594111 /nfs/dbraw/zinc/59/41/11/507594111.db2.gz ATFROYNWFZDYTR-UHFFFAOYSA-N 1 2 353.418 3.432 20 30 FGEDLO C=CCc1cc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)cc(OC)c1O ZINC000611270328 507594119 /nfs/dbraw/zinc/59/41/19/507594119.db2.gz ATFROYNWFZDYTR-UHFFFAOYSA-N 1 2 353.418 3.432 20 30 FGEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](CC#N)C1)n2CC ZINC000595623957 507598433 /nfs/dbraw/zinc/59/84/33/507598433.db2.gz ZOEWSURPVDCGKL-OAHLLOKOSA-N 1 2 354.454 3.359 20 30 FGEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](CC#N)C1)n2CC ZINC000595623957 507598441 /nfs/dbraw/zinc/59/84/41/507598441.db2.gz ZOEWSURPVDCGKL-OAHLLOKOSA-N 1 2 354.454 3.359 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000595625543 507599658 /nfs/dbraw/zinc/59/96/58/507599658.db2.gz KIKZTAHXSKMDPQ-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000595625543 507599663 /nfs/dbraw/zinc/59/96/63/507599663.db2.gz KIKZTAHXSKMDPQ-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000595629680 507602319 /nfs/dbraw/zinc/60/23/19/507602319.db2.gz ILPGWBVBHRPJPK-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602162437 507609972 /nfs/dbraw/zinc/60/99/72/507609972.db2.gz BIEBVYWPFSDHSJ-CVEARBPZSA-N 1 2 362.355 3.442 20 30 FGEDLO N#Cc1ccc(CCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000595695115 507631280 /nfs/dbraw/zinc/63/12/80/507631280.db2.gz ONNANGJEYIHWKG-UHFFFAOYSA-N 1 2 365.481 3.199 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595698058 507632852 /nfs/dbraw/zinc/63/28/52/507632852.db2.gz ZQHXVYJTRDBTSS-INIZCTEOSA-N 1 2 368.506 3.251 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000595758900 507671479 /nfs/dbraw/zinc/67/14/79/507671479.db2.gz KBUJICRXUNZZFG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000595758900 507671485 /nfs/dbraw/zinc/67/14/85/507671485.db2.gz KBUJICRXUNZZFG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(C4CCCC4)no3)CCOCC2)c1 ZINC000595765706 507674180 /nfs/dbraw/zinc/67/41/80/507674180.db2.gz VDKKREPLJORSSZ-UHFFFAOYSA-N 1 2 352.438 3.394 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595767961 507676382 /nfs/dbraw/zinc/67/63/82/507676382.db2.gz VAUUIXXLEVKPHJ-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595767961 507676386 /nfs/dbraw/zinc/67/63/86/507676386.db2.gz VAUUIXXLEVKPHJ-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595785659 507683897 /nfs/dbraw/zinc/68/38/97/507683897.db2.gz YSEPFXSDRBYLGA-KRWDZBQOSA-N 1 2 361.511 3.456 20 30 FGEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000614925036 507694228 /nfs/dbraw/zinc/69/42/28/507694228.db2.gz SIGCNHOEIJMCKO-INIZCTEOSA-N 1 2 366.343 3.152 20 30 FGEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000614925036 507694237 /nfs/dbraw/zinc/69/42/37/507694237.db2.gz SIGCNHOEIJMCKO-INIZCTEOSA-N 1 2 366.343 3.152 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000602450110 507714680 /nfs/dbraw/zinc/71/46/80/507714680.db2.gz TWSMLYFNIYKWFO-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000602450110 507714685 /nfs/dbraw/zinc/71/46/85/507714685.db2.gz TWSMLYFNIYKWFO-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO Cc1c(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000611551679 507733595 /nfs/dbraw/zinc/73/35/95/507733595.db2.gz SFBCHPFFDLYMJY-FQEVSTJZSA-N 1 2 368.412 3.425 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(F)c1 ZINC000611550746 507734147 /nfs/dbraw/zinc/73/41/47/507734147.db2.gz JHTXLCDTJMWZCE-HXUWFJFHSA-N 1 2 352.388 3.219 20 30 FGEDLO CC[C@H]1C[N@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479324199 561187172 /nfs/dbraw/zinc/18/71/72/561187172.db2.gz REQWRIDPVQHUIJ-INIZCTEOSA-N 1 2 367.497 3.007 20 30 FGEDLO CC[C@H]1C[N@@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479324199 561187173 /nfs/dbraw/zinc/18/71/73/561187173.db2.gz REQWRIDPVQHUIJ-INIZCTEOSA-N 1 2 367.497 3.007 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823920137 608387331 /nfs/dbraw/zinc/38/73/31/608387331.db2.gz YEJQUCZWJPUGLL-UHFFFAOYSA-N 1 2 368.372 3.102 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823920137 608387333 /nfs/dbraw/zinc/38/73/33/608387333.db2.gz YEJQUCZWJPUGLL-UHFFFAOYSA-N 1 2 368.372 3.102 20 30 FGEDLO C=CCn1c(C2CC2)nn(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1=S ZINC000246659757 713628187 /nfs/dbraw/zinc/62/81/87/713628187.db2.gz PVBWVEAKBBWRGX-GDBMZVCRSA-N 1 2 358.515 3.215 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)c3ccccc3C2)cc1Cl ZINC000374820194 713946030 /nfs/dbraw/zinc/94/60/30/713946030.db2.gz PPOXQEWHARWFTK-SFHVURJKSA-N 1 2 355.825 3.089 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1Cl ZINC000374820194 713946032 /nfs/dbraw/zinc/94/60/32/713946032.db2.gz PPOXQEWHARWFTK-SFHVURJKSA-N 1 2 355.825 3.089 20 30 FGEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000619138815 714805633 /nfs/dbraw/zinc/80/56/33/714805633.db2.gz IGUJMIMRDQDGLF-UHFFFAOYSA-N 1 2 370.280 3.048 20 30 FGEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000619138815 714805636 /nfs/dbraw/zinc/80/56/36/714805636.db2.gz IGUJMIMRDQDGLF-UHFFFAOYSA-N 1 2 370.280 3.048 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784803 714870821 /nfs/dbraw/zinc/87/08/21/714870821.db2.gz UALJPXBVWWIQBK-IBGZPJMESA-N 1 2 357.889 3.073 20 30 FGEDLO C=CCCOCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620189342 714900471 /nfs/dbraw/zinc/90/04/71/714900471.db2.gz NIMXNQPKXASVOO-MRXNPFEDSA-N 1 2 354.853 3.325 20 30 FGEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000779147879 724395401 /nfs/dbraw/zinc/39/54/01/724395401.db2.gz OYDQRJZVNFBQPZ-UHFFFAOYSA-N 1 2 355.869 3.065 20 30 FGEDLO C=CCOc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635914841 717209636 /nfs/dbraw/zinc/20/96/36/717209636.db2.gz PWYYSANGKQEQQI-HNNXBMFYSA-N 1 2 353.344 3.258 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780353804 724458743 /nfs/dbraw/zinc/45/87/43/724458743.db2.gz HPOLMSMTHGSHKW-ZDUSSCGKSA-N 1 2 362.401 3.343 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780353804 724458745 /nfs/dbraw/zinc/45/87/45/724458745.db2.gz HPOLMSMTHGSHKW-ZDUSSCGKSA-N 1 2 362.401 3.343 20 30 FGEDLO C=CCOCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000780793649 724501557 /nfs/dbraw/zinc/50/15/57/724501557.db2.gz VHJLKSDDPBLCFW-UHFFFAOYSA-N 1 2 365.065 3.209 20 30 FGEDLO C#CCn1ccc(CN(CCOC)c2cc[nH+]c3c(Cl)cccc23)n1 ZINC000804674216 724540320 /nfs/dbraw/zinc/54/03/20/724540320.db2.gz PDBDQNHVQVTGOR-UHFFFAOYSA-N 1 2 354.841 3.371 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)nn1 ZINC000653661989 719072833 /nfs/dbraw/zinc/07/28/33/719072833.db2.gz MOMLLNJVJAEBNV-HNNXBMFYSA-N 1 2 363.259 3.230 20 30 FGEDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000782086975 724627532 /nfs/dbraw/zinc/62/75/32/724627532.db2.gz AICYQTJLOONRJG-LLVKDONJSA-N 1 2 350.806 3.201 20 30 FGEDLO NC(=[NH+]OCc1nc(-c2ccccc2)no1)c1ccc(Br)cc1 ZINC000782948282 724711162 /nfs/dbraw/zinc/71/11/62/724711162.db2.gz JDJPPWGHXYZBNS-UHFFFAOYSA-N 1 2 373.210 3.336 20 30 FGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000784030854 724814460 /nfs/dbraw/zinc/81/44/60/724814460.db2.gz XNLUCZOOGKZIAT-ZDUSSCGKSA-N 1 2 369.416 3.461 20 30 FGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000784030854 724814462 /nfs/dbraw/zinc/81/44/62/724814462.db2.gz XNLUCZOOGKZIAT-ZDUSSCGKSA-N 1 2 369.416 3.461 20 30 FGEDLO NC(=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000727486058 722444928 /nfs/dbraw/zinc/44/49/28/722444928.db2.gz BBWGWUDGBIBYRV-UHFFFAOYSA-N 1 2 355.291 3.120 20 30 FGEDLO C#Cc1cccc(NC(=S)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000734097613 722504130 /nfs/dbraw/zinc/50/41/30/722504130.db2.gz CATDVLZNYYJFRI-MRXNPFEDSA-N 1 2 350.491 3.139 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745089821 722583373 /nfs/dbraw/zinc/58/33/73/722583373.db2.gz ROEIBNJWCSTYLJ-NVXWUHKLSA-N 1 2 364.511 3.069 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745089821 722583374 /nfs/dbraw/zinc/58/33/74/722583374.db2.gz ROEIBNJWCSTYLJ-NVXWUHKLSA-N 1 2 364.511 3.069 20 30 FGEDLO COC(=O)c1cccc(CO[NH+]=C(N)Cc2ccccc2Cl)c1C#N ZINC000755813875 722957327 /nfs/dbraw/zinc/95/73/27/722957327.db2.gz LDXWNYMOZNLZIR-UHFFFAOYSA-N 1 2 357.797 3.239 20 30 FGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(Cl)cc(Cl)c1 ZINC000790201589 723113150 /nfs/dbraw/zinc/11/31/50/723113150.db2.gz HFASOCHGCDLUKM-UHFFFAOYSA-N 1 2 368.268 3.318 20 30 FGEDLO CC[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794637191 723537448 /nfs/dbraw/zinc/53/74/48/723537448.db2.gz PVMGCNDBJCXSIZ-WBVHZDCISA-N 1 2 355.511 3.490 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794637191 723537450 /nfs/dbraw/zinc/53/74/50/723537450.db2.gz PVMGCNDBJCXSIZ-WBVHZDCISA-N 1 2 355.511 3.490 20 30 FGEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ncc(COC)s2)ccc1OC ZINC000771836679 723743311 /nfs/dbraw/zinc/74/33/11/723743311.db2.gz OJRKHIYJJPZVHW-CQSZACIVSA-N 1 2 361.467 3.269 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797527828 723830516 /nfs/dbraw/zinc/83/05/16/723830516.db2.gz LUWXYDULHYWGBT-SPYBWZPUSA-N 1 2 364.873 3.401 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797527828 723830519 /nfs/dbraw/zinc/83/05/19/723830519.db2.gz LUWXYDULHYWGBT-SPYBWZPUSA-N 1 2 364.873 3.401 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000775620723 724011906 /nfs/dbraw/zinc/01/19/06/724011906.db2.gz QQXPNSJRTPENKB-OAHLLOKOSA-N 1 2 354.841 3.457 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000775620723 724011910 /nfs/dbraw/zinc/01/19/10/724011910.db2.gz QQXPNSJRTPENKB-OAHLLOKOSA-N 1 2 354.841 3.457 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000778171220 724306437 /nfs/dbraw/zinc/30/64/37/724306437.db2.gz FGMCPWLRPFWIRW-UHFFFAOYSA-N 1 2 357.763 3.394 20 30 FGEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000787997213 725041392 /nfs/dbraw/zinc/04/13/92/725041392.db2.gz HVPFTRODSZZALV-HNNXBMFYSA-N 1 2 355.463 3.362 20 30 FGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000787997213 725041393 /nfs/dbraw/zinc/04/13/93/725041393.db2.gz HVPFTRODSZZALV-HNNXBMFYSA-N 1 2 355.463 3.362 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CC3)C2)nc1-c1cnccn1 ZINC000808231016 725188801 /nfs/dbraw/zinc/18/88/01/725188801.db2.gz VZYXJLGPGMUDOX-OAHLLOKOSA-N 1 2 356.499 3.137 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H](C3CC3)C2)nc1-c1cnccn1 ZINC000808231016 725188803 /nfs/dbraw/zinc/18/88/03/725188803.db2.gz VZYXJLGPGMUDOX-OAHLLOKOSA-N 1 2 356.499 3.137 20 30 FGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000809556276 725247089 /nfs/dbraw/zinc/24/70/89/725247089.db2.gz KEDLMESISBKRNM-UHFFFAOYSA-N 1 2 356.828 3.418 20 30 FGEDLO CCOc1ccc([C@H](O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000812777239 726809739 /nfs/dbraw/zinc/80/97/39/726809739.db2.gz ZVDMFZWFARZRKN-IBGZPJMESA-N 1 2 357.479 3.359 20 30 FGEDLO C#Cc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000836542567 729959802 /nfs/dbraw/zinc/95/98/02/729959802.db2.gz OACJSQOPVJAQIA-INIZCTEOSA-N 1 2 353.491 3.318 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437987 730718432 /nfs/dbraw/zinc/71/84/32/730718432.db2.gz NFKQUHNAESCUHT-MRXNPFEDSA-N 1 2 351.422 3.362 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437987 730718434 /nfs/dbraw/zinc/71/84/34/730718434.db2.gz NFKQUHNAESCUHT-MRXNPFEDSA-N 1 2 351.422 3.362 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000847026907 731008666 /nfs/dbraw/zinc/00/86/66/731008666.db2.gz QYMBEKUYKWUPSV-ZDUSSCGKSA-N 1 2 360.255 3.268 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000847026907 731008671 /nfs/dbraw/zinc/00/86/71/731008671.db2.gz QYMBEKUYKWUPSV-ZDUSSCGKSA-N 1 2 360.255 3.268 20 30 FGEDLO COCC(COC)N[NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000863196882 732921861 /nfs/dbraw/zinc/92/18/61/732921861.db2.gz YUJIKCCTXBMANH-UHFFFAOYSA-N 1 2 354.863 3.125 20 30 FGEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ncc(Br)s1 ZINC000865850374 733281576 /nfs/dbraw/zinc/28/15/76/733281576.db2.gz WZXGUIDEZLDASM-UHFFFAOYSA-N 1 2 351.273 3.133 20 30 FGEDLO COc1cccc([C@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CC[NH2+]2)c1 ZINC000870153662 733817690 /nfs/dbraw/zinc/81/76/90/733817690.db2.gz SGOHNVMSTMQXPV-GOSISDBHSA-N 1 2 355.825 3.007 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000877408873 736216485 /nfs/dbraw/zinc/21/64/85/736216485.db2.gz UCCDUANCYSTOFZ-UHFFFAOYSA-N 1 2 359.832 3.315 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878334119 736808550 /nfs/dbraw/zinc/80/85/50/736808550.db2.gz OSGFVWIOSPFJFR-OAHLLOKOSA-N 1 2 374.238 3.131 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878334119 736808588 /nfs/dbraw/zinc/80/85/88/736808588.db2.gz OSGFVWIOSPFJFR-OAHLLOKOSA-N 1 2 374.238 3.131 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2c3c(sc2=O)C[C@@H](CCC)CC3)CC1 ZINC000884478590 737667610 /nfs/dbraw/zinc/66/76/10/737667610.db2.gz GSXVIWWKBGFSEG-HNNXBMFYSA-N 1 2 350.528 3.175 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2ccn(-c3cccc(OC)c3)c2=S)CC1 ZINC000884478525 737667632 /nfs/dbraw/zinc/66/76/32/737667632.db2.gz FGKPROSIMVJHRR-UHFFFAOYSA-N 1 2 359.495 3.377 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278589 739238405 /nfs/dbraw/zinc/23/84/05/739238405.db2.gz DDWBMSCFROFBMI-STQMWFEESA-N 1 2 354.376 3.077 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278589 739238409 /nfs/dbraw/zinc/23/84/09/739238409.db2.gz DDWBMSCFROFBMI-STQMWFEESA-N 1 2 354.376 3.077 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000886771898 739295954 /nfs/dbraw/zinc/29/59/54/739295954.db2.gz PNGKOVJHFUGSDL-UHFFFAOYSA-N 1 2 358.511 3.055 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000895833865 742459378 /nfs/dbraw/zinc/45/93/78/742459378.db2.gz DPWFFHGGJZOUTC-UHFFFAOYSA-N 1 2 355.837 3.428 20 30 FGEDLO COc1cccc(-c2csc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)n2)c1 ZINC000901205722 743236512 /nfs/dbraw/zinc/23/65/12/743236512.db2.gz GCBIBSAMUIIGSP-HUUCEWRRSA-N 1 2 355.467 3.013 20 30 FGEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000907027557 744179999 /nfs/dbraw/zinc/17/99/99/744179999.db2.gz UVWULTIANPKRBF-UHFFFAOYSA-N 1 2 372.475 3.064 20 30 FGEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000948933124 762357121 /nfs/dbraw/zinc/35/71/21/762357121.db2.gz VRDTVXBAQVZGKK-ZCNNSNEGSA-N 1 2 350.487 3.200 20 30 FGEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000948933124 762357132 /nfs/dbraw/zinc/35/71/32/762357132.db2.gz VRDTVXBAQVZGKK-ZCNNSNEGSA-N 1 2 350.487 3.200 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](Cc3nccs3)C2)C1=O ZINC000932197858 761081925 /nfs/dbraw/zinc/08/19/25/761081925.db2.gz IMNQWBZGZMLURX-HIFRSBDPSA-N 1 2 372.519 3.136 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](Cc3nccs3)C2)C1=O ZINC000932197858 761081940 /nfs/dbraw/zinc/08/19/40/761081940.db2.gz IMNQWBZGZMLURX-HIFRSBDPSA-N 1 2 372.519 3.136 20 30 FGEDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000932666743 761213128 /nfs/dbraw/zinc/21/31/28/761213128.db2.gz JOEBJODTIXKOPR-LBPRGKRZSA-N 1 2 361.854 3.444 20 30 FGEDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000932666743 761213134 /nfs/dbraw/zinc/21/31/34/761213134.db2.gz JOEBJODTIXKOPR-LBPRGKRZSA-N 1 2 361.854 3.444 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000933648607 761445198 /nfs/dbraw/zinc/44/51/98/761445198.db2.gz QAASIXASSCMVAG-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653938 761447582 /nfs/dbraw/zinc/44/75/82/761447582.db2.gz YZAQXLYKQRIRQQ-CQSZACIVSA-N 1 2 362.857 3.313 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776502 761471940 /nfs/dbraw/zinc/47/19/40/761471940.db2.gz DRLPIJKPONFROE-OAHLLOKOSA-N 1 2 352.463 3.387 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776502 761471945 /nfs/dbraw/zinc/47/19/45/761471945.db2.gz DRLPIJKPONFROE-OAHLLOKOSA-N 1 2 352.463 3.387 20 30 FGEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c1C ZINC000933775832 761472174 /nfs/dbraw/zinc/47/21/74/761472174.db2.gz VHJQKBHDNSXPOD-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)c1C ZINC000933775832 761472179 /nfs/dbraw/zinc/47/21/79/761472179.db2.gz VHJQKBHDNSXPOD-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336578 761601898 /nfs/dbraw/zinc/60/18/98/761601898.db2.gz RMWMSNMRGMQQLL-OCCSQVGLSA-N 1 2 358.467 3.116 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336578 761601901 /nfs/dbraw/zinc/60/19/01/761601901.db2.gz RMWMSNMRGMQQLL-OCCSQVGLSA-N 1 2 358.467 3.116 20 30 FGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1CCC2 ZINC001028038975 766110102 /nfs/dbraw/zinc/11/01/02/766110102.db2.gz DZIXOCMVPRJSOS-DBXWQHBBSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1CCC2 ZINC001028038975 766110104 /nfs/dbraw/zinc/11/01/04/766110104.db2.gz DZIXOCMVPRJSOS-DBXWQHBBSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001033085309 766203735 /nfs/dbraw/zinc/20/37/35/766203735.db2.gz RORPHCNREUIVQI-IPMKNSEASA-N 1 2 362.901 3.092 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001033085309 766203743 /nfs/dbraw/zinc/20/37/43/766203743.db2.gz RORPHCNREUIVQI-IPMKNSEASA-N 1 2 362.901 3.092 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033839676 766224392 /nfs/dbraw/zinc/22/43/92/766224392.db2.gz ZGQLXQAYBOEHDE-ZNMIVQPWSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033839676 766224398 /nfs/dbraw/zinc/22/43/98/766224398.db2.gz ZGQLXQAYBOEHDE-ZNMIVQPWSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038801500 766289265 /nfs/dbraw/zinc/28/92/65/766289265.db2.gz ZHOAJJIVLAICHO-AOIWGVFYSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038801500 766289275 /nfs/dbraw/zinc/28/92/75/766289275.db2.gz ZHOAJJIVLAICHO-AOIWGVFYSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001046489796 766591688 /nfs/dbraw/zinc/59/16/88/766591688.db2.gz FIHHRMNCBJXQCD-HBFSDRIKSA-N 1 2 362.901 3.110 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001046489796 766591696 /nfs/dbraw/zinc/59/16/96/766591696.db2.gz FIHHRMNCBJXQCD-HBFSDRIKSA-N 1 2 362.901 3.110 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001046632268 766597297 /nfs/dbraw/zinc/59/72/97/766597297.db2.gz WDJILYPYJHTKOE-ALKREAHSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001046632268 766597305 /nfs/dbraw/zinc/59/73/05/766597305.db2.gz WDJILYPYJHTKOE-ALKREAHSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046976703 766614985 /nfs/dbraw/zinc/61/49/85/766614985.db2.gz HUHILDLJLAWNRW-MGPQQGTHSA-N 1 2 358.816 3.209 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046976703 766614986 /nfs/dbraw/zinc/61/49/86/766614986.db2.gz HUHILDLJLAWNRW-MGPQQGTHSA-N 1 2 358.816 3.209 20 30 FGEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000302115522 257384309 /nfs/dbraw/zinc/38/43/09/257384309.db2.gz RJVRZYNXBCKGDV-GASCZTMLSA-N 1 2 364.449 3.382 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000376094422 257442837 /nfs/dbraw/zinc/44/28/37/257442837.db2.gz RGBAWOKISUMKGM-OAHLLOKOSA-N 1 2 354.429 3.115 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000060197090 132303731 /nfs/dbraw/zinc/30/37/31/132303731.db2.gz MWSFCDOXGJGODT-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc2n1C ZINC000540949061 503950581 /nfs/dbraw/zinc/95/05/81/503950581.db2.gz AKLWUZJAWLWASY-LJQANCHMSA-N 1 2 356.426 3.082 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000567945610 505581126 /nfs/dbraw/zinc/58/11/26/505581126.db2.gz ZPSCJGBWUXXXRC-NHCUHLMSSA-N 1 2 351.494 3.419 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000579975665 505655722 /nfs/dbraw/zinc/65/57/22/505655722.db2.gz YRVDOLQXYGEVDH-CYBMUJFWSA-N 1 2 356.451 3.221 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cscc3C(F)(F)F)CC2)nc1 ZINC000580019697 505662633 /nfs/dbraw/zinc/66/26/33/505662633.db2.gz NAJJFIYCXLLVOX-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000048254769 493808554 /nfs/dbraw/zinc/80/85/54/493808554.db2.gz WBCIOGPMURABJA-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906392 493814495 /nfs/dbraw/zinc/81/44/95/493814495.db2.gz NXEDWXCAGZGAHX-UHFFFAOYSA-N 1 2 355.526 3.495 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152879 493833625 /nfs/dbraw/zinc/83/36/25/493833625.db2.gz XHQNWUSOCKGXOS-VQTJNVASSA-N 1 2 359.429 3.054 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152879 493833628 /nfs/dbraw/zinc/83/36/28/493833628.db2.gz XHQNWUSOCKGXOS-VQTJNVASSA-N 1 2 359.429 3.054 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000081317871 493868087 /nfs/dbraw/zinc/86/80/87/493868087.db2.gz KXAORNFIRQRRKU-FQEVSTJZSA-N 1 2 358.445 3.325 20 30 FGEDLO C[N@H+](CC(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1)Cc1ccccc1 ZINC000081731018 493947323 /nfs/dbraw/zinc/94/73/23/493947323.db2.gz JJHPDHKOJPCRJH-UHFFFAOYSA-N 1 2 357.364 3.470 20 30 FGEDLO C[N@@H+](CC(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1)Cc1ccccc1 ZINC000081731018 493947326 /nfs/dbraw/zinc/94/73/26/493947326.db2.gz JJHPDHKOJPCRJH-UHFFFAOYSA-N 1 2 357.364 3.470 20 30 FGEDLO C=CC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1cccs1 ZINC000051262352 493957565 /nfs/dbraw/zinc/95/75/65/493957565.db2.gz RFBCPIUAKSYPMN-SFHVURJKSA-N 1 2 369.534 3.379 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1cccs1 ZINC000051262352 493957568 /nfs/dbraw/zinc/95/75/68/493957568.db2.gz RFBCPIUAKSYPMN-SFHVURJKSA-N 1 2 369.534 3.379 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218872 494012985 /nfs/dbraw/zinc/01/29/85/494012985.db2.gz OYFIOQXWTWWHQT-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)cc1 ZINC000052488400 494030091 /nfs/dbraw/zinc/03/00/91/494030091.db2.gz KXDUTZKCBOHQDS-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO C[NH+](C)[C@@H](CNc1c(C#N)nnc2ccccc21)c1c(F)cccc1F ZINC000077224776 494036901 /nfs/dbraw/zinc/03/69/01/494036901.db2.gz ZFHFKQABQFATEL-KRWDZBQOSA-N 1 2 353.376 3.494 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000072032083 494117910 /nfs/dbraw/zinc/11/79/10/494117910.db2.gz BTWRIHZHSBUICV-SFHVURJKSA-N 1 2 366.461 3.130 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1CCCO ZINC000072032082 494117986 /nfs/dbraw/zinc/11/79/86/494117986.db2.gz BTWRIHZHSBUICV-GOSISDBHSA-N 1 2 366.461 3.130 20 30 FGEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000041530091 494167349 /nfs/dbraw/zinc/16/73/49/494167349.db2.gz DITWDHLINRDHSM-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072717260 494239649 /nfs/dbraw/zinc/23/96/49/494239649.db2.gz KPHRAZJJEDXWAX-SFHVURJKSA-N 1 2 355.482 3.357 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000072717260 494239652 /nfs/dbraw/zinc/23/96/52/494239652.db2.gz KPHRAZJJEDXWAX-SFHVURJKSA-N 1 2 355.482 3.357 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CCCC1 ZINC000088523799 494245896 /nfs/dbraw/zinc/24/58/96/494245896.db2.gz HOCWDCQTYLQTTQ-NRFANRHFSA-N 1 2 368.525 3.048 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4cccnc43)CC2)cc1 ZINC000043529557 494303498 /nfs/dbraw/zinc/30/34/98/494303498.db2.gz AXAJFQKZMYBNBH-UHFFFAOYSA-N 1 2 371.444 3.456 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2nccn2C)c1 ZINC000073123665 494324712 /nfs/dbraw/zinc/32/47/12/494324712.db2.gz ARWXMVBKZCDHQQ-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000089642314 494336953 /nfs/dbraw/zinc/33/69/53/494336953.db2.gz IFYBSBKKLXEPJK-UHFFFAOYSA-N 1 2 352.419 3.123 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(C(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560993 494354399 /nfs/dbraw/zinc/35/43/99/494354399.db2.gz QOCNRLJKUMNTOK-QGZVFWFLSA-N 1 2 351.512 3.172 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(C(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560993 494354402 /nfs/dbraw/zinc/35/44/02/494354402.db2.gz QOCNRLJKUMNTOK-QGZVFWFLSA-N 1 2 351.512 3.172 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066850063 494424366 /nfs/dbraw/zinc/42/43/66/494424366.db2.gz VGJTZIZEVMECMX-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066850063 494424370 /nfs/dbraw/zinc/42/43/70/494424370.db2.gz VGJTZIZEVMECMX-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066850923 494425112 /nfs/dbraw/zinc/42/51/12/494425112.db2.gz DBFGKTVMBDFJEF-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066850923 494425113 /nfs/dbraw/zinc/42/51/13/494425113.db2.gz DBFGKTVMBDFJEF-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1C#N ZINC000091073479 494524113 /nfs/dbraw/zinc/52/41/13/494524113.db2.gz ZDBLKWPNFQNECC-JOCHJYFZSA-N 1 2 358.445 3.144 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3ccccc3[C@H]2CO)c1C#N ZINC000091073479 494524117 /nfs/dbraw/zinc/52/41/17/494524117.db2.gz ZDBLKWPNFQNECC-JOCHJYFZSA-N 1 2 358.445 3.144 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c(F)c1 ZINC000092596974 494682201 /nfs/dbraw/zinc/68/22/01/494682201.db2.gz IIQLBNPWMRDGPJ-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO N#CCC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000131718884 494709513 /nfs/dbraw/zinc/70/95/13/494709513.db2.gz JLTRLXKBLWTQNU-GOSISDBHSA-N 1 2 351.454 3.106 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246509 494713482 /nfs/dbraw/zinc/71/34/82/494713482.db2.gz WKYWOIUYOFKENT-GUYCJALGSA-N 1 2 371.403 3.460 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246509 494713486 /nfs/dbraw/zinc/71/34/86/494713486.db2.gz WKYWOIUYOFKENT-GUYCJALGSA-N 1 2 371.403 3.460 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)c1cc(N(C)Cc2ccc(C#N)cc2)[nH+]cn1 ZINC000121362535 494721095 /nfs/dbraw/zinc/72/10/95/494721095.db2.gz SEUONYMREUCLGD-UHFFFAOYSA-N 1 2 368.444 3.493 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000080508416 494724024 /nfs/dbraw/zinc/72/40/24/494724024.db2.gz WEXBHCACOGPXPY-UHFFFAOYSA-N 1 2 363.396 3.157 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000047538473 494729722 /nfs/dbraw/zinc/72/97/22/494729722.db2.gz PSKSJGHUHPWNIM-UHFFFAOYSA-N 1 2 355.438 3.096 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2cccs2)CC1 ZINC000121389783 494733203 /nfs/dbraw/zinc/73/32/03/494733203.db2.gz PSHRAXPDWPDRMJ-KRWDZBQOSA-N 1 2 368.506 3.205 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1C ZINC000057406413 494735710 /nfs/dbraw/zinc/73/57/10/494735710.db2.gz GQWQKKUXOTVWLC-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO C[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000091964919 494739231 /nfs/dbraw/zinc/73/92/31/494739231.db2.gz LCQAJHQJWTUCMD-MRXNPFEDSA-N 1 2 370.456 3.435 20 30 FGEDLO C[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000091964919 494739237 /nfs/dbraw/zinc/73/92/37/494739237.db2.gz LCQAJHQJWTUCMD-MRXNPFEDSA-N 1 2 370.456 3.435 20 30 FGEDLO CCS[C@@H](C)c1noc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000092044415 494768581 /nfs/dbraw/zinc/76/85/81/494768581.db2.gz RPKVGYJASRWFDB-LBPRGKRZSA-N 1 2 356.455 3.035 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC000047856989 494783161 /nfs/dbraw/zinc/78/31/61/494783161.db2.gz WSPLKNANLREFGC-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000075674301 494811869 /nfs/dbraw/zinc/81/18/69/494811869.db2.gz KNZJNFFKMRFCJN-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000075674301 494811870 /nfs/dbraw/zinc/81/18/70/494811870.db2.gz KNZJNFFKMRFCJN-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C#CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000132188728 494835933 /nfs/dbraw/zinc/83/59/33/494835933.db2.gz NMKBXWIXZUBQKQ-LJQANCHMSA-N 1 2 363.392 3.091 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)CCn2c(C)[nH+]c3ccccc32)cc1 ZINC000132352081 494860556 /nfs/dbraw/zinc/86/05/56/494860556.db2.gz CBRYKORHRNQYMD-UHFFFAOYSA-N 1 2 362.433 3.289 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351930 494913130 /nfs/dbraw/zinc/91/31/30/494913130.db2.gz DCKXDPSSBRUUDE-PWSUYJOCSA-N 1 2 373.341 3.246 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351930 494913127 /nfs/dbraw/zinc/91/31/27/494913127.db2.gz DCKXDPSSBRUUDE-PWSUYJOCSA-N 1 2 373.341 3.246 20 30 FGEDLO COc1ccccc1NC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000132714666 494913556 /nfs/dbraw/zinc/91/35/56/494913556.db2.gz NJGKNPFPJYUHHJ-UHFFFAOYSA-N 1 2 364.449 3.082 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000118393674 494999943 /nfs/dbraw/zinc/99/99/43/494999943.db2.gz JBSVCTNPECUYCR-KRWDZBQOSA-N 1 2 372.472 3.487 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C2 ZINC000128485769 495104115 /nfs/dbraw/zinc/10/41/15/495104115.db2.gz XKILEBSEFILQGK-UHFFFAOYSA-N 1 2 366.465 3.157 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000574397527 505763704 /nfs/dbraw/zinc/76/37/04/505763704.db2.gz UTQSUKUYQXLRRI-UHFFFAOYSA-N 1 2 363.483 3.188 20 30 FGEDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)ccc1F ZINC000128959570 495174603 /nfs/dbraw/zinc/17/46/03/495174603.db2.gz VMQLMQYIVQJDDP-FQEVSTJZSA-N 1 2 367.424 3.408 20 30 FGEDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)ccc1F ZINC000128959570 495174607 /nfs/dbraw/zinc/17/46/07/495174607.db2.gz VMQLMQYIVQJDDP-FQEVSTJZSA-N 1 2 367.424 3.408 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342233 495177553 /nfs/dbraw/zinc/17/75/53/495177553.db2.gz NLRMCILLNWDXJH-HXUWFJFHSA-N 1 2 354.429 3.004 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342233 495177554 /nfs/dbraw/zinc/17/75/54/495177554.db2.gz NLRMCILLNWDXJH-HXUWFJFHSA-N 1 2 354.429 3.004 20 30 FGEDLO Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000119513685 495180173 /nfs/dbraw/zinc/18/01/73/495180173.db2.gz PQPIFTFJYWTVBR-INIZCTEOSA-N 1 2 353.401 3.191 20 30 FGEDLO C=CCNc1ncc(C(=O)NCCNc2ccc3ccccc3[nH+]2)s1 ZINC000129085352 495193944 /nfs/dbraw/zinc/19/39/44/495193944.db2.gz UIUUZCNYMICIQC-UHFFFAOYSA-N 1 2 353.451 3.131 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467984 495236361 /nfs/dbraw/zinc/23/63/61/495236361.db2.gz KQAHAGGZEDKLSE-UHFFFAOYSA-N 1 2 372.469 3.092 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cnn(C)c1 ZINC000103474478 495239230 /nfs/dbraw/zinc/23/92/30/495239230.db2.gz VJBOKVBKZNNVQF-UHFFFAOYSA-N 1 2 373.888 3.151 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1cnn(C)c1 ZINC000103474478 495239233 /nfs/dbraw/zinc/23/92/33/495239233.db2.gz VJBOKVBKZNNVQF-UHFFFAOYSA-N 1 2 373.888 3.151 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000135159556 495257380 /nfs/dbraw/zinc/25/73/80/495257380.db2.gz CINPZUHHUTTXDV-QRWLVFNGSA-N 1 2 352.434 3.249 20 30 FGEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124445259 495288375 /nfs/dbraw/zinc/28/83/75/495288375.db2.gz YQTWWKYFUTXMFR-UHFFFAOYSA-N 1 2 354.281 3.230 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714859 495300294 /nfs/dbraw/zinc/30/02/94/495300294.db2.gz NXCBEPPDDLWQHP-OAHLLOKOSA-N 1 2 374.444 3.399 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1C ZINC000125082932 495387966 /nfs/dbraw/zinc/38/79/66/495387966.db2.gz HLSJBZCFLVRMME-CQSZACIVSA-N 1 2 371.412 3.269 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C ZINC000125232700 495410795 /nfs/dbraw/zinc/41/07/95/495410795.db2.gz HFJHHYAQTOUIOH-SJLPKXTDSA-N 1 2 367.449 3.318 20 30 FGEDLO Cc1nc(C(C)C)sc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000106286300 495442877 /nfs/dbraw/zinc/44/28/77/495442877.db2.gz WEMKFLIRNCLQQF-UHFFFAOYSA-N 1 2 368.506 3.405 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC3(CCCC3)C2)c2ccccc21 ZINC000139694305 495481856 /nfs/dbraw/zinc/48/18/56/495481856.db2.gz SVAFKNDAYNKXBP-UHFFFAOYSA-N 1 2 351.450 3.383 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC3(CCCC3)C2)c2ccccc21 ZINC000139694305 495481861 /nfs/dbraw/zinc/48/18/61/495481861.db2.gz SVAFKNDAYNKXBP-UHFFFAOYSA-N 1 2 351.450 3.383 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000115315318 495489489 /nfs/dbraw/zinc/48/94/89/495489489.db2.gz HUDUWBAXRNPOKV-UHFFFAOYSA-N 1 2 360.417 3.154 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)s1 ZINC000131196095 495505015 /nfs/dbraw/zinc/50/50/15/495505015.db2.gz OQPQWDJJPLDFAN-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO Cc1cc2[nH+]cn(C[C@H](O)CN(CCC#N)Cc3ccco3)c2cc1C ZINC000176295504 495584766 /nfs/dbraw/zinc/58/47/66/495584766.db2.gz NOUYTBWFZDWMHD-QGZVFWFLSA-N 1 2 352.438 3.023 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](O)C2)cc1OCC ZINC000179521894 495627579 /nfs/dbraw/zinc/62/75/79/495627579.db2.gz UIUVWFJDJFCBLA-AWEZNQCLSA-N 1 2 370.287 3.369 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](O)C2)cc1OCC ZINC000179521894 495627575 /nfs/dbraw/zinc/62/75/75/495627575.db2.gz UIUVWFJDJFCBLA-AWEZNQCLSA-N 1 2 370.287 3.369 20 30 FGEDLO C=CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(C#N)c1 ZINC000154488301 495632380 /nfs/dbraw/zinc/63/23/80/495632380.db2.gz GLXUIFWJWHLVGN-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(C#N)c1 ZINC000154488301 495632383 /nfs/dbraw/zinc/63/23/83/495632383.db2.gz GLXUIFWJWHLVGN-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc(OC)c1O ZINC000185617310 495647035 /nfs/dbraw/zinc/64/70/35/495647035.db2.gz DXMRZJUVVSUFFN-HNNXBMFYSA-N 1 2 373.522 3.465 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000179653510 495676950 /nfs/dbraw/zinc/67/69/50/495676950.db2.gz XMNDUZPKESCNJS-UHFFFAOYSA-N 1 2 362.433 3.047 20 30 FGEDLO CCCCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176773825 495778738 /nfs/dbraw/zinc/77/87/38/495778738.db2.gz WXYIIZIZRVUDDR-UHFFFAOYSA-N 1 2 358.486 3.109 20 30 FGEDLO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000171248084 495788349 /nfs/dbraw/zinc/78/83/49/495788349.db2.gz QNJCSZDMISCJJE-UHFFFAOYSA-N 1 2 370.416 3.037 20 30 FGEDLO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000171248084 495788354 /nfs/dbraw/zinc/78/83/54/495788354.db2.gz QNJCSZDMISCJJE-UHFFFAOYSA-N 1 2 370.416 3.037 20 30 FGEDLO Cc1nc2ccccc2nc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000171346008 495830684 /nfs/dbraw/zinc/83/06/84/495830684.db2.gz MXCDUYDGOSNTHP-UHFFFAOYSA-N 1 2 361.424 3.271 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC000183098605 495834372 /nfs/dbraw/zinc/83/43/72/495834372.db2.gz MIGOPPJCKOZMJS-UHFFFAOYSA-N 1 2 356.429 3.417 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000186109197 495858167 /nfs/dbraw/zinc/85/81/67/495858167.db2.gz RBWXEMCTAAAIRF-WBAXXEDZSA-N 1 2 350.890 3.430 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000186109197 495858175 /nfs/dbraw/zinc/85/81/75/495858175.db2.gz RBWXEMCTAAAIRF-WBAXXEDZSA-N 1 2 350.890 3.430 20 30 FGEDLO CCOc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000155278646 495901403 /nfs/dbraw/zinc/90/14/03/495901403.db2.gz XWPPLOMPEQRMLM-HXUWFJFHSA-N 1 2 365.477 3.476 20 30 FGEDLO CCCn1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1C ZINC000155283405 495904199 /nfs/dbraw/zinc/90/41/99/495904199.db2.gz POWAWCZLNQHOSN-NRFANRHFSA-N 1 2 351.498 3.292 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000155286795 495905112 /nfs/dbraw/zinc/90/51/12/495905112.db2.gz IQPWMAJYZCDBIJ-FQEVSTJZSA-N 1 2 363.461 3.230 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186326877 495950054 /nfs/dbraw/zinc/95/00/54/495950054.db2.gz PGJJWAJIBLWNQC-LLVKDONJSA-N 1 2 367.400 3.312 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c(C#N)c1C ZINC000171621927 495952882 /nfs/dbraw/zinc/95/28/82/495952882.db2.gz MQOGGILVNWNHPU-UHFFFAOYSA-N 1 2 366.396 3.385 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c(C#N)c1C ZINC000171621927 495952888 /nfs/dbraw/zinc/95/28/88/495952888.db2.gz MQOGGILVNWNHPU-UHFFFAOYSA-N 1 2 366.396 3.385 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)cs3)CC2)c1 ZINC000177465070 496071856 /nfs/dbraw/zinc/07/18/56/496071856.db2.gz ZDSRYEGTZTYMAB-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OCC3CCCC3)CC2)C1=O ZINC000177491243 496084158 /nfs/dbraw/zinc/08/41/58/496084158.db2.gz WECHHEIKWKCNFR-SFHVURJKSA-N 1 2 373.522 3.396 20 30 FGEDLO CCOCCOCc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000177554141 496108971 /nfs/dbraw/zinc/10/89/71/496108971.db2.gz HMYQMGLTVNRQNR-UHFFFAOYSA-N 1 2 350.422 3.371 20 30 FGEDLO Cc1c(NC(=O)CC[N@H+](CCC#N)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000174834218 496125151 /nfs/dbraw/zinc/12/51/51/496125151.db2.gz VJAIKHJABXYWJT-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO Cc1c(NC(=O)CC[N@@H+](CCC#N)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000174834218 496125154 /nfs/dbraw/zinc/12/51/54/496125154.db2.gz VJAIKHJABXYWJT-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719827 496170516 /nfs/dbraw/zinc/17/05/16/496170516.db2.gz NHYUFHMNMDMDEI-NRFANRHFSA-N 1 2 351.450 3.359 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719827 496170520 /nfs/dbraw/zinc/17/05/20/496170520.db2.gz NHYUFHMNMDMDEI-NRFANRHFSA-N 1 2 351.450 3.359 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000183973205 496183865 /nfs/dbraw/zinc/18/38/65/496183865.db2.gz SWUDVBHXXKTKMH-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181038441 496249011 /nfs/dbraw/zinc/24/90/11/496249011.db2.gz GCNMYGBAMIPDEQ-MRXNPFEDSA-N 1 2 364.287 3.154 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181038441 496249017 /nfs/dbraw/zinc/24/90/17/496249017.db2.gz GCNMYGBAMIPDEQ-MRXNPFEDSA-N 1 2 364.287 3.154 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000181192014 496305839 /nfs/dbraw/zinc/30/58/39/496305839.db2.gz VJJNGXSTAJZDQU-OIISXLGYSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000181192014 496305842 /nfs/dbraw/zinc/30/58/42/496305842.db2.gz VJJNGXSTAJZDQU-OIISXLGYSA-N 1 2 365.271 3.089 20 30 FGEDLO Cc1cccc(NC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000152994738 496319493 /nfs/dbraw/zinc/31/94/93/496319493.db2.gz PTLQBHWANJFOFW-UHFFFAOYSA-N 1 2 354.479 3.443 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181314870 496350908 /nfs/dbraw/zinc/35/09/08/496350908.db2.gz BABCFPSLCVIYGL-GOSISDBHSA-N 1 2 358.392 3.074 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000184361331 496351386 /nfs/dbraw/zinc/35/13/86/496351386.db2.gz GUDPSSFHTLKDDA-OAHLLOKOSA-N 1 2 355.463 3.169 20 30 FGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000172582257 496351632 /nfs/dbraw/zinc/35/16/32/496351632.db2.gz DCESYQKZTNIEBP-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181382275 496372946 /nfs/dbraw/zinc/37/29/46/496372946.db2.gz XJTGYLSRDOCZNA-IRXDYDNUSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181382275 496372949 /nfs/dbraw/zinc/37/29/49/496372949.db2.gz XJTGYLSRDOCZNA-IRXDYDNUSA-N 1 2 360.820 3.244 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000172654312 496375551 /nfs/dbraw/zinc/37/55/51/496375551.db2.gz FBZLKWJVVMHWTC-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000172654312 496375554 /nfs/dbraw/zinc/37/55/54/496375554.db2.gz FBZLKWJVVMHWTC-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccco1 ZINC000184590337 496455197 /nfs/dbraw/zinc/45/51/97/496455197.db2.gz WZPQVYUCWQJWFO-SJLPKXTDSA-N 1 2 355.438 3.201 20 30 FGEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000175621369 496468626 /nfs/dbraw/zinc/46/86/26/496468626.db2.gz OCYMCHOQESTKCW-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000175621369 496468628 /nfs/dbraw/zinc/46/86/28/496468628.db2.gz OCYMCHOQESTKCW-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000163413326 496513210 /nfs/dbraw/zinc/51/32/10/496513210.db2.gz PBFQAHVHCKXAPA-UWJYYQICSA-N 1 2 372.513 3.007 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000163413326 496513214 /nfs/dbraw/zinc/51/32/14/496513214.db2.gz PBFQAHVHCKXAPA-UWJYYQICSA-N 1 2 372.513 3.007 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1O ZINC000187678799 496531888 /nfs/dbraw/zinc/53/18/88/496531888.db2.gz DSUQQKYMXSKJCE-UHFFFAOYSA-N 1 2 353.447 3.065 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(I)c3)n2c1 ZINC000157810058 496559886 /nfs/dbraw/zinc/55/98/86/496559886.db2.gz BIMXQNZKHRKFCC-UHFFFAOYSA-N 1 2 374.185 3.423 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000163855419 496564777 /nfs/dbraw/zinc/56/47/77/496564777.db2.gz OLNWSYHYCMGPHW-KRWDZBQOSA-N 1 2 353.491 3.188 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CCCc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000164826466 496634614 /nfs/dbraw/zinc/63/46/14/496634614.db2.gz KNSKDMHJGDYYHF-NQIIRXRSSA-N 1 2 364.445 3.491 20 30 FGEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1OC ZINC000182043109 496647326 /nfs/dbraw/zinc/64/73/26/496647326.db2.gz KSUGYJRCRDSTBB-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000182043109 496647331 /nfs/dbraw/zinc/64/73/31/496647331.db2.gz KSUGYJRCRDSTBB-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000158271120 496664498 /nfs/dbraw/zinc/66/44/98/496664498.db2.gz KOLVWGFCLHIKDG-UHFFFAOYSA-N 1 2 353.397 3.254 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000176090807 496679187 /nfs/dbraw/zinc/67/91/87/496679187.db2.gz FRRGMUKWMAQMLD-QPJJXVBHSA-N 1 2 367.399 3.308 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000176110939 496687737 /nfs/dbraw/zinc/68/77/37/496687737.db2.gz JIJKKEKZSUFGTC-UHFFFAOYSA-N 1 2 361.405 3.159 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000179183450 496704330 /nfs/dbraw/zinc/70/43/30/496704330.db2.gz XTZNHIOUCNVJQT-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000179183450 496704331 /nfs/dbraw/zinc/70/43/31/496704331.db2.gz XTZNHIOUCNVJQT-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000277373385 496751872 /nfs/dbraw/zinc/75/18/72/496751872.db2.gz FUAUVWNYGCMTRS-OAHLLOKOSA-N 1 2 362.271 3.180 20 30 FGEDLO CCc1nc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)sc1C ZINC000194959644 496774729 /nfs/dbraw/zinc/77/47/29/496774729.db2.gz CWOFDDLYYHDCMI-UHFFFAOYSA-N 1 2 354.479 3.489 20 30 FGEDLO CCc1nc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sc1C ZINC000194959644 496774732 /nfs/dbraw/zinc/77/47/32/496774732.db2.gz CWOFDDLYYHDCMI-UHFFFAOYSA-N 1 2 354.479 3.489 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000264252802 496852530 /nfs/dbraw/zinc/85/25/30/496852530.db2.gz KBUZOFJPJYUIQJ-MRXNPFEDSA-N 1 2 357.845 3.108 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)F)c3)CC2)cc1 ZINC000264294387 496864824 /nfs/dbraw/zinc/86/48/24/496864824.db2.gz QLQBTZKWPXETKI-UHFFFAOYSA-N 1 2 355.388 3.454 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000247539243 496882730 /nfs/dbraw/zinc/88/27/30/496882730.db2.gz JXDXRWXCHNEHAT-ZIAGYGMSSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000247539243 496882731 /nfs/dbraw/zinc/88/27/31/496882731.db2.gz JXDXRWXCHNEHAT-ZIAGYGMSSA-N 1 2 361.511 3.182 20 30 FGEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2)CC1 ZINC000278011639 496971620 /nfs/dbraw/zinc/97/16/20/496971620.db2.gz JDORJYGPICYSCU-IAGOWNOFSA-N 1 2 350.422 3.218 20 30 FGEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2)CC1 ZINC000278011639 496971624 /nfs/dbraw/zinc/97/16/24/496971624.db2.gz JDORJYGPICYSCU-IAGOWNOFSA-N 1 2 350.422 3.218 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264752789 496977498 /nfs/dbraw/zinc/97/74/98/496977498.db2.gz RXWDCYBKZMAQGX-LBPRGKRZSA-N 1 2 361.352 3.294 20 30 FGEDLO C#CC[C@@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000270321638 497100961 /nfs/dbraw/zinc/10/09/61/497100961.db2.gz KUIJMZDEQJDKPK-OAHLLOKOSA-N 1 2 364.371 3.351 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000249037610 497152311 /nfs/dbraw/zinc/15/23/11/497152311.db2.gz GHXMIKPHTGHICN-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000249037610 497152317 /nfs/dbraw/zinc/15/23/17/497152317.db2.gz GHXMIKPHTGHICN-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000278601981 497163966 /nfs/dbraw/zinc/16/39/66/497163966.db2.gz FRRCZOLHOMDGMI-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000278601981 497163968 /nfs/dbraw/zinc/16/39/68/497163968.db2.gz FRRCZOLHOMDGMI-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278634473 497175023 /nfs/dbraw/zinc/17/50/23/497175023.db2.gz OKZAAAMHXHXTRM-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278634473 497175027 /nfs/dbraw/zinc/17/50/27/497175027.db2.gz OKZAAAMHXHXTRM-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000278835612 497237645 /nfs/dbraw/zinc/23/76/45/497237645.db2.gz ITIORFWEYLGNRJ-UHFFFAOYSA-N 1 2 371.510 3.271 20 30 FGEDLO Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271102341 497264240 /nfs/dbraw/zinc/26/42/40/497264240.db2.gz YOFXOONEGXUSSF-GOSISDBHSA-N 1 2 369.444 3.238 20 30 FGEDLO Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271102341 497264244 /nfs/dbraw/zinc/26/42/44/497264244.db2.gz YOFXOONEGXUSSF-GOSISDBHSA-N 1 2 369.444 3.238 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@H]1C ZINC000252061046 497296506 /nfs/dbraw/zinc/29/65/06/497296506.db2.gz ZXCBQTWJDIGNIV-BFYDXBDKSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@H]1C ZINC000252061046 497296508 /nfs/dbraw/zinc/29/65/08/497296508.db2.gz ZXCBQTWJDIGNIV-BFYDXBDKSA-N 1 2 361.511 3.376 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000279010638 497302402 /nfs/dbraw/zinc/30/24/02/497302402.db2.gz UVTUKYWUZSHMRZ-SNVBAGLBSA-N 1 2 368.384 3.001 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190207005 497399145 /nfs/dbraw/zinc/39/91/45/497399145.db2.gz GLLJBFSOLOCAAF-HNNXBMFYSA-N 1 2 374.428 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190207005 497399151 /nfs/dbraw/zinc/39/91/51/497399151.db2.gz GLLJBFSOLOCAAF-HNNXBMFYSA-N 1 2 374.428 3.242 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190207023 497399340 /nfs/dbraw/zinc/39/93/40/497399340.db2.gz GLLJBFSOLOCAAF-OAHLLOKOSA-N 1 2 374.428 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190207023 497399344 /nfs/dbraw/zinc/39/93/44/497399344.db2.gz GLLJBFSOLOCAAF-OAHLLOKOSA-N 1 2 374.428 3.242 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1C#N ZINC000575080454 505915843 /nfs/dbraw/zinc/91/58/43/505915843.db2.gz MLXGQRDLICRBSQ-UHFFFAOYSA-N 1 2 362.886 3.178 20 30 FGEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280326626 497720934 /nfs/dbraw/zinc/72/09/34/497720934.db2.gz HIOXXWREEXBJPF-KRWDZBQOSA-N 1 2 365.271 3.091 20 30 FGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000280326626 497720937 /nfs/dbraw/zinc/72/09/37/497720937.db2.gz HIOXXWREEXBJPF-KRWDZBQOSA-N 1 2 365.271 3.091 20 30 FGEDLO Cc1oc(C#N)cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000280498334 497772147 /nfs/dbraw/zinc/77/21/47/497772147.db2.gz CKIRICPJVWTRDD-UHFFFAOYSA-N 1 2 350.378 3.009 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000329737354 497883894 /nfs/dbraw/zinc/88/38/94/497883894.db2.gz MBUBEDDKPRMBBT-YJBOKZPZSA-N 1 2 356.495 3.280 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000329737354 497883901 /nfs/dbraw/zinc/88/39/01/497883901.db2.gz MBUBEDDKPRMBBT-YJBOKZPZSA-N 1 2 356.495 3.280 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000364333782 497905095 /nfs/dbraw/zinc/90/50/95/497905095.db2.gz CWLPWAJTDAMEGK-OAQYLSRUSA-N 1 2 365.433 3.228 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000364333782 497905099 /nfs/dbraw/zinc/90/50/99/497905099.db2.gz CWLPWAJTDAMEGK-OAQYLSRUSA-N 1 2 365.433 3.228 20 30 FGEDLO Cc1sccc1CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329884483 497938959 /nfs/dbraw/zinc/93/89/59/497938959.db2.gz SLCSFBSYLGEKOW-AWEZNQCLSA-N 1 2 363.527 3.031 20 30 FGEDLO C[C@H]1CCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000329887423 497939985 /nfs/dbraw/zinc/93/99/85/497939985.db2.gz XJWVCXWODFGACD-AAEUAGOBSA-N 1 2 364.352 3.333 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@@H](C2CC2)O1 ZINC000329912215 497949813 /nfs/dbraw/zinc/94/98/13/497949813.db2.gz OFEYTSADEWWOAY-QAPCUYQASA-N 1 2 358.486 3.159 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@@H](C2CC2)O1 ZINC000329912215 497949816 /nfs/dbraw/zinc/94/98/16/497949816.db2.gz OFEYTSADEWWOAY-QAPCUYQASA-N 1 2 358.486 3.159 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364423272 497950453 /nfs/dbraw/zinc/95/04/53/497950453.db2.gz RPUMFHITKCUPDL-MRXNPFEDSA-N 1 2 373.416 3.452 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000292291581 497956975 /nfs/dbraw/zinc/95/69/75/497956975.db2.gz MESPOFXYZPQXNQ-INIZCTEOSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000292291581 497956984 /nfs/dbraw/zinc/95/69/84/497956984.db2.gz MESPOFXYZPQXNQ-INIZCTEOSA-N 1 2 355.438 3.364 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC1(C)C ZINC000329975949 497977356 /nfs/dbraw/zinc/97/73/56/497977356.db2.gz DYJGXLLGLWBUOR-YQQAZPJKSA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC1(C)C ZINC000329975949 497977361 /nfs/dbraw/zinc/97/73/61/497977361.db2.gz DYJGXLLGLWBUOR-YQQAZPJKSA-N 1 2 366.481 3.286 20 30 FGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(C2(C#N)CCOCC2)n1 ZINC000289010663 497978608 /nfs/dbraw/zinc/97/86/08/497978608.db2.gz HWWCNSLSTUUPOY-UHFFFAOYSA-N 1 2 351.410 3.163 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1Cl ZINC000301167041 497980497 /nfs/dbraw/zinc/98/04/97/497980497.db2.gz IHYPFQZTYWCBOH-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C=CCNC(=O)c1ccc(NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000301223770 498007125 /nfs/dbraw/zinc/00/71/25/498007125.db2.gz DMPQRUJYGFLFDW-UHFFFAOYSA-N 1 2 366.465 3.087 20 30 FGEDLO N#Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000285157339 498008320 /nfs/dbraw/zinc/00/83/20/498008320.db2.gz ZACOPQZOJUBHFJ-UHFFFAOYSA-N 1 2 352.413 3.250 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281074598 498011223 /nfs/dbraw/zinc/01/12/23/498011223.db2.gz OMXIZIMXOQNHMO-QFBILLFUSA-N 1 2 370.453 3.065 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@]2(CCOC2)O1 ZINC000330157906 498043061 /nfs/dbraw/zinc/04/30/61/498043061.db2.gz PSBBAKHOTKQYDP-SUYBPPKGSA-N 1 2 353.488 3.006 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@]2(CCOC2)O1 ZINC000330157906 498043067 /nfs/dbraw/zinc/04/30/67/498043067.db2.gz PSBBAKHOTKQYDP-SUYBPPKGSA-N 1 2 353.488 3.006 20 30 FGEDLO C[C@]1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCOC1 ZINC000330223942 498069009 /nfs/dbraw/zinc/06/90/09/498069009.db2.gz NJJZSBADDIQBQJ-NLWGTHIKSA-N 1 2 354.454 3.042 20 30 FGEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCOC1 ZINC000330223942 498069013 /nfs/dbraw/zinc/06/90/13/498069013.db2.gz NJJZSBADDIQBQJ-NLWGTHIKSA-N 1 2 354.454 3.042 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000330244695 498075637 /nfs/dbraw/zinc/07/56/37/498075637.db2.gz KJDXUELAUAGENU-DLBZAZTESA-N 1 2 360.502 3.351 20 30 FGEDLO CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330257208 498082850 /nfs/dbraw/zinc/08/28/50/498082850.db2.gz QOADILUHKJPOMV-HNNXBMFYSA-N 1 2 354.454 3.400 20 30 FGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1COc2ccc(Br)cc21 ZINC000330300735 498097926 /nfs/dbraw/zinc/09/79/26/498097926.db2.gz IOJOKPUYHAHSJG-YPMHNXCESA-N 1 2 362.227 3.093 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000296571316 498100118 /nfs/dbraw/zinc/10/01/18/498100118.db2.gz TTWYHPMCUAIKBT-GJYPPUQNSA-N 1 2 356.470 3.284 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330312985 498101768 /nfs/dbraw/zinc/10/17/68/498101768.db2.gz WVLAVEXYRNAHRI-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000330322399 498104039 /nfs/dbraw/zinc/10/40/39/498104039.db2.gz SMVGCUDQFKLTME-GFCCVEGCSA-N 1 2 362.865 3.477 20 30 FGEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000330322399 498104043 /nfs/dbraw/zinc/10/40/43/498104043.db2.gz SMVGCUDQFKLTME-GFCCVEGCSA-N 1 2 362.865 3.477 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)c(F)c2)CCO1 ZINC000330361704 498119055 /nfs/dbraw/zinc/11/90/55/498119055.db2.gz YRHXIFDXKDBZGY-XPTSAGLGSA-N 1 2 354.332 3.084 20 30 FGEDLO C[C@H]1C[NH+]=C(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)S1 ZINC000301500634 498137572 /nfs/dbraw/zinc/13/75/72/498137572.db2.gz ASECZUKWCXEAHD-LBPRGKRZSA-N 1 2 371.897 3.373 20 30 FGEDLO N#Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301623526 498192177 /nfs/dbraw/zinc/19/21/77/498192177.db2.gz FNHMQVHYINLWAG-MRXNPFEDSA-N 1 2 361.361 3.067 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1 ZINC000296779021 498193025 /nfs/dbraw/zinc/19/30/25/498193025.db2.gz ZTCLKWJLNVTUEC-KRWDZBQOSA-N 1 2 354.454 3.278 20 30 FGEDLO CC1(C)C[NH+]=C(N2CCN(c3c(C#N)cnc4ccccc43)CC2)S1 ZINC000301747225 498250093 /nfs/dbraw/zinc/25/00/93/498250093.db2.gz QQSROCWEOSMFJL-UHFFFAOYSA-N 1 2 351.479 3.110 20 30 FGEDLO N#Cc1ccc2nc(N3CC[NH+](Cc4cn5ccccc5n4)CC3)ccc2c1 ZINC000301809003 498272958 /nfs/dbraw/zinc/27/29/58/498272958.db2.gz GJXNRHORYIHTHL-UHFFFAOYSA-N 1 2 368.444 3.076 20 30 FGEDLO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1 ZINC000281884270 498305522 /nfs/dbraw/zinc/30/55/22/498305522.db2.gz DHVMTEOAHFMVOI-UHFFFAOYSA-N 1 2 364.873 3.416 20 30 FGEDLO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1 ZINC000281884270 498305530 /nfs/dbraw/zinc/30/55/30/498305530.db2.gz DHVMTEOAHFMVOI-UHFFFAOYSA-N 1 2 364.873 3.416 20 30 FGEDLO Cc1ccc(Oc2ccccc2CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000581551234 506013847 /nfs/dbraw/zinc/01/38/47/506013847.db2.gz GKQCJUBEQUWXLO-NRFANRHFSA-N 1 2 351.450 3.290 20 30 FGEDLO CCN(C(=O)c1ccc(CC#N)cc1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000361224873 498361888 /nfs/dbraw/zinc/36/18/88/498361888.db2.gz YKOPIXJVOAIGDE-LJQANCHMSA-N 1 2 359.433 3.133 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000297233800 498368982 /nfs/dbraw/zinc/36/89/82/498368982.db2.gz QOSLIGAQVXDEMF-KBPBESRZSA-N 1 2 357.845 3.407 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)c3ncc(C#N)cc3C)ccc2n1C1CC1 ZINC000575905447 506030093 /nfs/dbraw/zinc/03/00/93/506030093.db2.gz WSOZFYWHGHVCPG-UHFFFAOYSA-N 1 2 359.433 3.439 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C4CC4)ccn3)CC2)cc1 ZINC000290151632 498444964 /nfs/dbraw/zinc/44/49/64/498444964.db2.gz PUPZUYIVKPPLDY-UHFFFAOYSA-N 1 2 361.449 3.180 20 30 FGEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294233342 498628232 /nfs/dbraw/zinc/62/82/32/498628232.db2.gz SXLRXOZYIWTWOP-IUODEOHRSA-N 1 2 360.259 3.154 20 30 FGEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294233342 498628237 /nfs/dbraw/zinc/62/82/37/498628237.db2.gz SXLRXOZYIWTWOP-IUODEOHRSA-N 1 2 360.259 3.154 20 30 FGEDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000290849317 498699162 /nfs/dbraw/zinc/69/91/62/498699162.db2.gz IYAWYZQTLPPUEO-OAHLLOKOSA-N 1 2 357.458 3.195 20 30 FGEDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Br ZINC000287298646 498707122 /nfs/dbraw/zinc/70/71/22/498707122.db2.gz IXBLAXLRWSVHSU-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1Br ZINC000287298646 498707116 /nfs/dbraw/zinc/70/71/16/498707116.db2.gz IXBLAXLRWSVHSU-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000332545491 498720965 /nfs/dbraw/zinc/72/09/65/498720965.db2.gz ZXAIANPADHAXKR-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C[C@H]1Oc3ccccc3NC1=O)CCC2 ZINC000328652163 498889836 /nfs/dbraw/zinc/88/98/36/498889836.db2.gz KGJJYQMZYHOONJ-XJKSGUPXSA-N 1 2 354.410 3.465 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)CCC2 ZINC000328725751 498916823 /nfs/dbraw/zinc/91/68/23/498916823.db2.gz UGHUYIRLARADOV-RCCFBDPRSA-N 1 2 354.454 3.103 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCCC12CCOCC2 ZINC000328781071 498936149 /nfs/dbraw/zinc/93/61/49/498936149.db2.gz JHHBVLHBWIODLL-GOSISDBHSA-N 1 2 354.454 3.225 20 30 FGEDLO C[C@]1(CO)CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328825037 498950756 /nfs/dbraw/zinc/95/07/56/498950756.db2.gz RRNNLVATXYBADF-GHTZIAJQSA-N 1 2 366.465 3.288 20 30 FGEDLO Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c(C)n1 ZINC000328836743 498955109 /nfs/dbraw/zinc/95/51/09/498955109.db2.gz MVAKHXUVMJTSKR-UHFFFAOYSA-N 1 2 351.410 3.048 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CC(=O)N(C3CCC(C)CC3)C1)CCC2 ZINC000328836299 498955756 /nfs/dbraw/zinc/95/57/56/498955756.db2.gz SNTAHBRTWMXNRO-YCHGYYGWSA-N 1 2 372.513 3.453 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000366546566 498973949 /nfs/dbraw/zinc/97/39/49/498973949.db2.gz VHTNUTHAIPSKLW-NSHDSACASA-N 1 2 354.357 3.082 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000366546566 498973951 /nfs/dbraw/zinc/97/39/51/498973951.db2.gz VHTNUTHAIPSKLW-NSHDSACASA-N 1 2 354.357 3.082 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945559 498994125 /nfs/dbraw/zinc/99/41/25/498994125.db2.gz GIWUKJKIMAPFSM-BRWVUGGUSA-N 1 2 354.397 3.069 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945559 498994130 /nfs/dbraw/zinc/99/41/30/498994130.db2.gz GIWUKJKIMAPFSM-BRWVUGGUSA-N 1 2 354.397 3.069 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328948301 498996235 /nfs/dbraw/zinc/99/62/35/498996235.db2.gz GZNUHHJHWNXGEQ-VYCZESIESA-N 1 2 352.438 3.036 20 30 FGEDLO Cc1noc([C@H]([NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C2CCOCC2)n1 ZINC000328964815 499000383 /nfs/dbraw/zinc/00/03/83/499000383.db2.gz MACLOEHXFWFAMM-TVFIUFHYSA-N 1 2 364.490 3.217 20 30 FGEDLO N#CCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618023 499005804 /nfs/dbraw/zinc/00/58/04/499005804.db2.gz MWUDXAGSBQEDOV-ZWKOTPCHSA-N 1 2 374.435 3.236 20 30 FGEDLO N#CCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618023 499005807 /nfs/dbraw/zinc/00/58/07/499005807.db2.gz MWUDXAGSBQEDOV-ZWKOTPCHSA-N 1 2 374.435 3.236 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@@](C)(O)C2CC2)c2ccc(Cl)cc2)C1 ZINC000329051244 499026657 /nfs/dbraw/zinc/02/66/57/499026657.db2.gz RILCHYOHRSJPIQ-QXAKKESOSA-N 1 2 366.889 3.219 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@@](C)(O)C2CC2)c2ccc(Cl)cc2)C1 ZINC000329051244 499026665 /nfs/dbraw/zinc/02/66/65/499026665.db2.gz RILCHYOHRSJPIQ-QXAKKESOSA-N 1 2 366.889 3.219 20 30 FGEDLO CC(C)n1c(CNC(=O)C2([NH+]3CCOCC3)CCC2)nc2ccccc21 ZINC000329109147 499044808 /nfs/dbraw/zinc/04/48/08/499044808.db2.gz PUCKWJFRUAMELF-UHFFFAOYSA-N 1 2 356.470 3.329 20 30 FGEDLO N#CCCCCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000284085930 499045880 /nfs/dbraw/zinc/04/58/80/499045880.db2.gz AIXDXJDYXXFQCY-UHFFFAOYSA-N 1 2 359.451 3.289 20 30 FGEDLO Cc1cnn(CC2CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)c1 ZINC000329169167 499061719 /nfs/dbraw/zinc/06/17/19/499061719.db2.gz JLBAYWFTSUWEEH-UHFFFAOYSA-N 1 2 359.499 3.137 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000329224701 499076856 /nfs/dbraw/zinc/07/68/56/499076856.db2.gz FQUDNHLTUFFHCL-FQEVSTJZSA-N 1 2 369.509 3.427 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000329224701 499076862 /nfs/dbraw/zinc/07/68/62/499076862.db2.gz FQUDNHLTUFFHCL-FQEVSTJZSA-N 1 2 369.509 3.427 20 30 FGEDLO COc1cnc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000329232533 499079828 /nfs/dbraw/zinc/07/98/28/499079828.db2.gz GBOGZIGGVTZGJX-LBPRGKRZSA-N 1 2 361.471 3.110 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329347071 499105243 /nfs/dbraw/zinc/10/52/43/499105243.db2.gz RRSNOVDRSXVNTB-GDBMZVCRSA-N 1 2 368.485 3.375 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCCCNC2=O)c[nH+]c1N1CCCC[C@H]1C ZINC000329396167 499115109 /nfs/dbraw/zinc/11/51/09/499115109.db2.gz VZPHPGPKQFOTGI-GDBMZVCRSA-N 1 2 359.474 3.413 20 30 FGEDLO C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329396624 499115165 /nfs/dbraw/zinc/11/51/65/499115165.db2.gz XOMSONBFCLUUGZ-SJLPKXTDSA-N 1 2 374.529 3.170 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[C@]12CCCO2 ZINC000329436919 499121526 /nfs/dbraw/zinc/12/15/26/499121526.db2.gz ABGQXNBOLJEQTH-NLWGTHIKSA-N 1 2 355.438 3.212 20 30 FGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)Nc1ccc(N2CCCCC2)nc1 ZINC000329441778 499122299 /nfs/dbraw/zinc/12/22/99/499122299.db2.gz KZIWXKPFRIGIFR-UHFFFAOYSA-N 1 2 358.486 3.305 20 30 FGEDLO O=C(C[N@H+]1CCOCC12CCCC2)Nc1ccc(N2CCCCC2)nc1 ZINC000329441778 499122300 /nfs/dbraw/zinc/12/23/00/499122300.db2.gz KZIWXKPFRIGIFR-UHFFFAOYSA-N 1 2 358.486 3.305 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSCC[C@H]1C)C1CCOCC1 ZINC000329446243 499122824 /nfs/dbraw/zinc/12/28/24/499122824.db2.gz KWTIUQLJNVQRFE-GDBMZVCRSA-N 1 2 366.531 3.112 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000329464309 499125394 /nfs/dbraw/zinc/12/53/94/499125394.db2.gz UVWDXHKWHRGZEA-RDJZCZTQSA-N 1 2 374.529 3.095 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000329464309 499125397 /nfs/dbraw/zinc/12/53/97/499125397.db2.gz UVWDXHKWHRGZEA-RDJZCZTQSA-N 1 2 374.529 3.095 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369818371 499133513 /nfs/dbraw/zinc/13/35/13/499133513.db2.gz YHAGEFKEEUVGMI-OALUTQOASA-N 1 2 357.417 3.179 20 30 FGEDLO Cc1ccc(N2CC[C@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)cc1 ZINC000367057577 499141153 /nfs/dbraw/zinc/14/11/53/499141153.db2.gz KWKNZSCJSLIBEH-IBGZPJMESA-N 1 2 360.461 3.053 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000372539509 499142494 /nfs/dbraw/zinc/14/24/94/499142494.db2.gz QZPWBSGMLVYOIX-DOPJRALCSA-N 1 2 368.437 3.200 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000372539509 499142495 /nfs/dbraw/zinc/14/24/95/499142495.db2.gz QZPWBSGMLVYOIX-DOPJRALCSA-N 1 2 368.437 3.200 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000367258861 499169465 /nfs/dbraw/zinc/16/94/65/499169465.db2.gz SPYRKSKGIPERSQ-PZJWPPBQSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000367258861 499169467 /nfs/dbraw/zinc/16/94/67/499169467.db2.gz SPYRKSKGIPERSQ-PZJWPPBQSA-N 1 2 361.530 3.198 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000370039270 499170024 /nfs/dbraw/zinc/17/00/24/499170024.db2.gz ADPXXFHIHVJPCJ-GOSISDBHSA-N 1 2 355.401 3.280 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)CCC2 ZINC000370953910 499274044 /nfs/dbraw/zinc/27/40/44/499274044.db2.gz PHXIZXWRYQGVGB-PKOBYXMFSA-N 1 2 366.465 3.160 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000368623331 499314796 /nfs/dbraw/zinc/31/47/96/499314796.db2.gz PVMOCUCKWCJULA-JOCHJYFZSA-N 1 2 362.477 3.378 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000368623331 499314797 /nfs/dbraw/zinc/31/47/97/499314797.db2.gz PVMOCUCKWCJULA-JOCHJYFZSA-N 1 2 362.477 3.378 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1OC ZINC000371464354 499330477 /nfs/dbraw/zinc/33/04/77/499330477.db2.gz RDNRWQJOVZWETG-FQEVSTJZSA-N 1 2 368.433 3.158 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1OC ZINC000371464354 499330478 /nfs/dbraw/zinc/33/04/78/499330478.db2.gz RDNRWQJOVZWETG-FQEVSTJZSA-N 1 2 368.433 3.158 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025712 499358676 /nfs/dbraw/zinc/35/86/76/499358676.db2.gz DLSZQFQAODCGEJ-SFTDATJTSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025712 499358677 /nfs/dbraw/zinc/35/86/77/499358677.db2.gz DLSZQFQAODCGEJ-SFTDATJTSA-N 1 2 368.456 3.296 20 30 FGEDLO N#C[C@@]1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CCc2ccccc2C1 ZINC000371903885 499377108 /nfs/dbraw/zinc/37/71/08/499377108.db2.gz KYHGXINMVBBUCK-OAQYLSRUSA-N 1 2 368.400 3.268 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000369214433 499378295 /nfs/dbraw/zinc/37/82/95/499378295.db2.gz KBSJGWKRXIKXAP-MOPGFXCFSA-N 1 2 366.509 3.120 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000369263546 499385063 /nfs/dbraw/zinc/38/50/63/499385063.db2.gz FPUDEZFIQWZVQY-CYBMUJFWSA-N 1 2 368.412 3.419 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000369263546 499385065 /nfs/dbraw/zinc/38/50/65/499385065.db2.gz FPUDEZFIQWZVQY-CYBMUJFWSA-N 1 2 368.412 3.419 20 30 FGEDLO Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000369304153 499389679 /nfs/dbraw/zinc/38/96/79/499389679.db2.gz YJOVOZWKHDPOCY-QHCPKHFHSA-N 1 2 370.456 3.257 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000369363948 499396024 /nfs/dbraw/zinc/39/60/24/499396024.db2.gz SUKIMMRDUNVQNT-INIZCTEOSA-N 1 2 355.438 3.013 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@]12c1ccccc1NC2=O ZINC000369515020 499411340 /nfs/dbraw/zinc/41/13/40/499411340.db2.gz GJFBXODYKAQTLS-AOMKIAJQSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@]12c1ccccc1NC2=O ZINC000369515020 499411342 /nfs/dbraw/zinc/41/13/42/499411342.db2.gz GJFBXODYKAQTLS-AOMKIAJQSA-N 1 2 354.413 3.080 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(Br)c3)CC2)nc1 ZINC000570341591 506145704 /nfs/dbraw/zinc/14/57/04/506145704.db2.gz KQVIWEYKEFGVMH-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)CCC2 ZINC000373120875 499452422 /nfs/dbraw/zinc/45/24/22/499452422.db2.gz ATEDAQJJGSOLFI-HUUCEWRRSA-N 1 2 353.426 3.182 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CCC2 ZINC000373120876 499452535 /nfs/dbraw/zinc/45/25/35/499452535.db2.gz ATEDAQJJGSOLFI-LSDHHAIUSA-N 1 2 353.426 3.182 20 30 FGEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000373488343 499472902 /nfs/dbraw/zinc/47/29/02/499472902.db2.gz CVAQGJYTRQIFOA-FQEVSTJZSA-N 1 2 368.481 3.090 20 30 FGEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000373488343 499472903 /nfs/dbraw/zinc/47/29/03/499472903.db2.gz CVAQGJYTRQIFOA-FQEVSTJZSA-N 1 2 368.481 3.090 20 30 FGEDLO C=CCC[C@H](C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373525959 499475055 /nfs/dbraw/zinc/47/50/55/499475055.db2.gz GPRCMRVDTPTWDO-UNMCSNQZSA-N 1 2 369.553 3.222 20 30 FGEDLO C#CCC1(C(=O)N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)CCCCC1 ZINC000373753312 499486486 /nfs/dbraw/zinc/48/64/86/499486486.db2.gz IWRSMOZYACXOBG-UHFFFAOYSA-N 1 2 370.541 3.472 20 30 FGEDLO C#CCC1(C(=O)N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)CCCCC1 ZINC000373753312 499486487 /nfs/dbraw/zinc/48/64/87/499486487.db2.gz IWRSMOZYACXOBG-UHFFFAOYSA-N 1 2 370.541 3.472 20 30 FGEDLO Cc1ccc(N2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)CC2)nn1 ZINC000375422317 499516809 /nfs/dbraw/zinc/51/68/09/499516809.db2.gz APIFYSGEHZRSMC-UHFFFAOYSA-N 1 2 359.836 3.162 20 30 FGEDLO Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)CC2)nn1 ZINC000375422317 499516810 /nfs/dbraw/zinc/51/68/10/499516810.db2.gz APIFYSGEHZRSMC-UHFFFAOYSA-N 1 2 359.836 3.162 20 30 FGEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H](O)c4[nH]cc[nH+]4)CC3)c2c1 ZINC000375657235 499542082 /nfs/dbraw/zinc/54/20/82/499542082.db2.gz LHVULICEAYBFRG-FQEVSTJZSA-N 1 2 361.449 3.396 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000375728332 499549397 /nfs/dbraw/zinc/54/93/97/499549397.db2.gz AFPJVSYUXVRXFK-KZNAEPCWSA-N 1 2 357.429 3.136 20 30 FGEDLO C[S@](=O)C[C@@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000376359000 499602750 /nfs/dbraw/zinc/60/27/50/499602750.db2.gz JGHXFOUUVGBQRL-DWXRJYCRSA-N 1 2 365.458 3.423 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376930476 499647239 /nfs/dbraw/zinc/64/72/39/499647239.db2.gz HLBFYDPGBMECAY-WOJBJXKFSA-N 1 2 356.416 3.022 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376930476 499647240 /nfs/dbraw/zinc/64/72/40/499647240.db2.gz HLBFYDPGBMECAY-WOJBJXKFSA-N 1 2 356.416 3.022 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377263795 499675142 /nfs/dbraw/zinc/67/51/42/499675142.db2.gz CXBFIRAMINULFS-PMACEKPBSA-N 1 2 364.493 3.019 20 30 FGEDLO COc1cc(C)cc2c1OC/C(=C/c1[nH+]ccn1CC(F)(F)F)C2=O ZINC000377533239 499701285 /nfs/dbraw/zinc/70/12/85/499701285.db2.gz GXQLCNAYGQGMRE-XFFZJAGNSA-N 1 2 352.312 3.421 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622269 499711651 /nfs/dbraw/zinc/71/16/51/499711651.db2.gz YBHSWCHXHIATCD-SJORKVTESA-N 1 2 355.463 3.460 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622269 499711653 /nfs/dbraw/zinc/71/16/53/499711653.db2.gz YBHSWCHXHIATCD-SJORKVTESA-N 1 2 355.463 3.460 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000414141853 499763842 /nfs/dbraw/zinc/76/38/42/499763842.db2.gz IMDBZOJMONSOGK-INIZCTEOSA-N 1 2 363.255 3.187 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000414141853 499763844 /nfs/dbraw/zinc/76/38/44/499763844.db2.gz IMDBZOJMONSOGK-INIZCTEOSA-N 1 2 363.255 3.187 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901644 499802426 /nfs/dbraw/zinc/80/24/26/499802426.db2.gz FOUHMIVKIAOTHM-AWEZNQCLSA-N 1 2 360.454 3.140 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901644 499802427 /nfs/dbraw/zinc/80/24/27/499802427.db2.gz FOUHMIVKIAOTHM-AWEZNQCLSA-N 1 2 360.454 3.140 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000411980073 499808979 /nfs/dbraw/zinc/80/89/79/499808979.db2.gz FUJANKKLYSLRIJ-KRWDZBQOSA-N 1 2 353.422 3.250 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000411980073 499808980 /nfs/dbraw/zinc/80/89/80/499808980.db2.gz FUJANKKLYSLRIJ-KRWDZBQOSA-N 1 2 353.422 3.250 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2csnn2)ccc1Cl ZINC000412049564 499817493 /nfs/dbraw/zinc/81/74/93/499817493.db2.gz ZFWRJPFXNNGSQD-LBPRGKRZSA-N 1 2 363.874 3.097 20 30 FGEDLO Cc1cc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc(C)[nH+]1 ZINC000421253091 500002792 /nfs/dbraw/zinc/00/27/92/500002792.db2.gz WDTZPYJIXBMOJO-UHFFFAOYSA-N 1 2 370.478 3.184 20 30 FGEDLO Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(C#N)c[nH+]1 ZINC000425202400 500043255 /nfs/dbraw/zinc/04/32/55/500043255.db2.gz BUYBHAXYNFDIAP-UHFFFAOYSA-N 1 2 370.840 3.476 20 30 FGEDLO C[C@@H](C#N)N(CC[N@@H+]1CCOC[C@@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539248 500138562 /nfs/dbraw/zinc/13/85/62/500138562.db2.gz TVNFSLFKPLPOMT-GJZGRUSLSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@@H](C#N)N(CC[N@H+]1CCOC[C@@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539248 500138566 /nfs/dbraw/zinc/13/85/66/500138566.db2.gz TVNFSLFKPLPOMT-GJZGRUSLSA-N 1 2 355.404 3.140 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000573357243 506178634 /nfs/dbraw/zinc/17/86/34/506178634.db2.gz NHMSWCUSLIFWGN-YCPHGPKFSA-N 1 2 364.515 3.088 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000573357243 506178638 /nfs/dbraw/zinc/17/86/38/506178638.db2.gz NHMSWCUSLIFWGN-YCPHGPKFSA-N 1 2 364.515 3.088 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425855528 500205510 /nfs/dbraw/zinc/20/55/10/500205510.db2.gz ZXMZXVAFWQNAIF-RLFYNMQTSA-N 1 2 360.889 3.420 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426012263 500225477 /nfs/dbraw/zinc/22/54/77/500225477.db2.gz CLJVGBGXUKAFGG-YADHBBJMSA-N 1 2 370.456 3.463 20 30 FGEDLO N#CC1(C[NH2+]Cc2ncc(Br)cc2Br)CCC1 ZINC000418135523 500235333 /nfs/dbraw/zinc/23/53/33/500235333.db2.gz AXOJWIYSENXOOH-UHFFFAOYSA-N 1 2 359.065 3.390 20 30 FGEDLO C[C@H](c1cccc(NC(=O)CNc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000426439474 500272461 /nfs/dbraw/zinc/27/24/61/500272461.db2.gz IAVKCFSAIHYQNZ-MRXNPFEDSA-N 1 2 364.449 3.002 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)c1 ZINC000428462324 500513222 /nfs/dbraw/zinc/51/32/22/500513222.db2.gz KPXAJWCPMNPLSZ-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C=CCC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000424648030 500535086 /nfs/dbraw/zinc/53/50/86/500535086.db2.gz REXJOAITXZUPEP-KRWDZBQOSA-N 1 2 358.482 3.391 20 30 FGEDLO CCOC(=O)c1csc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000432777920 500562081 /nfs/dbraw/zinc/56/20/81/500562081.db2.gz WZJXEKKBYOACIJ-UHFFFAOYSA-N 1 2 353.447 3.481 20 30 FGEDLO CCOC(=O)c1csc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000432777920 500562084 /nfs/dbraw/zinc/56/20/84/500562084.db2.gz WZJXEKKBYOACIJ-UHFFFAOYSA-N 1 2 353.447 3.481 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1Cl ZINC000432777905 500562188 /nfs/dbraw/zinc/56/21/88/500562188.db2.gz WXHUIQLAABTQTK-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1Cl ZINC000432777905 500562190 /nfs/dbraw/zinc/56/21/90/500562190.db2.gz WXHUIQLAABTQTK-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000437104576 500603021 /nfs/dbraw/zinc/60/30/21/500603021.db2.gz GKNVGHORUDYVBF-QWFCFKBJSA-N 1 2 354.425 3.337 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000437104576 500603023 /nfs/dbraw/zinc/60/30/23/500603023.db2.gz GKNVGHORUDYVBF-QWFCFKBJSA-N 1 2 354.425 3.337 20 30 FGEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1(C)C ZINC000447427847 500605029 /nfs/dbraw/zinc/60/50/29/500605029.db2.gz LMJGSCLEKBTFLT-GOSISDBHSA-N 1 2 366.465 3.404 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000442885895 500640447 /nfs/dbraw/zinc/64/04/47/500640447.db2.gz YRAMJZNHSBHVNV-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000448649872 500794836 /nfs/dbraw/zinc/79/48/36/500794836.db2.gz KLJOGRRZEMVWJD-CQSZACIVSA-N 1 2 356.857 3.367 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000444224820 500820359 /nfs/dbraw/zinc/82/03/59/500820359.db2.gz KELRJCUTJSZJNL-UHFFFAOYSA-N 1 2 374.529 3.043 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000444224820 500820362 /nfs/dbraw/zinc/82/03/62/500820362.db2.gz KELRJCUTJSZJNL-UHFFFAOYSA-N 1 2 374.529 3.043 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCCCNc3cccc[nH+]3)c2c1 ZINC000439094505 500855382 /nfs/dbraw/zinc/85/53/82/500855382.db2.gz BHNIKXUYUOXEIF-UHFFFAOYSA-N 1 2 363.421 3.433 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580170 506221684 /nfs/dbraw/zinc/22/16/84/506221684.db2.gz SBWVDAQOXCJGIN-GWCFXTLKSA-N 1 2 357.788 3.242 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580170 506221687 /nfs/dbraw/zinc/22/16/87/506221687.db2.gz SBWVDAQOXCJGIN-GWCFXTLKSA-N 1 2 357.788 3.242 20 30 FGEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439461001 500899247 /nfs/dbraw/zinc/89/92/47/500899247.db2.gz YPSCTDUTVKVUQZ-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439461001 500899249 /nfs/dbraw/zinc/89/92/49/500899249.db2.gz YPSCTDUTVKVUQZ-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3C3CCCC3)CC2)c(F)c1 ZINC000449020967 500899670 /nfs/dbraw/zinc/89/96/70/500899670.db2.gz RLMBHDRDRDHDCX-UHFFFAOYSA-N 1 2 353.445 3.331 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000435444250 500979023 /nfs/dbraw/zinc/97/90/23/500979023.db2.gz RJQFXESGZDIAOE-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000435444250 500979026 /nfs/dbraw/zinc/97/90/26/500979026.db2.gz RJQFXESGZDIAOE-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435603223 501000722 /nfs/dbraw/zinc/00/07/22/501000722.db2.gz ZHSFNPMIAHKFHS-CRAIPNDOSA-N 1 2 354.410 3.175 20 30 FGEDLO C=CCC1(C(=O)NCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1 ZINC000449809969 501093730 /nfs/dbraw/zinc/09/37/30/501093730.db2.gz JRBQNVUOHROFHA-UHFFFAOYSA-N 1 2 372.509 3.315 20 30 FGEDLO C=CCC1(C(=O)NCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1 ZINC000449809969 501093733 /nfs/dbraw/zinc/09/37/33/501093733.db2.gz JRBQNVUOHROFHA-UHFFFAOYSA-N 1 2 372.509 3.315 20 30 FGEDLO CC[N@H+](CC#Cc1ccccc1Cl)CC(=O)NCc1ccc(F)cc1 ZINC000441145296 501094032 /nfs/dbraw/zinc/09/40/32/501094032.db2.gz LOEDGAGBZUKVTO-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO CC[N@@H+](CC#Cc1ccccc1Cl)CC(=O)NCc1ccc(F)cc1 ZINC000441145296 501094036 /nfs/dbraw/zinc/09/40/36/501094036.db2.gz LOEDGAGBZUKVTO-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450411949 501115485 /nfs/dbraw/zinc/11/54/85/501115485.db2.gz YJSIQQJFDPFFET-ZSGPHXLJSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450411949 501115486 /nfs/dbraw/zinc/11/54/86/501115486.db2.gz YJSIQQJFDPFFET-ZSGPHXLJSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441430491 501137858 /nfs/dbraw/zinc/13/78/58/501137858.db2.gz SLHDTJMFQYACFF-FBBABVLZSA-N 1 2 372.509 3.099 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441430491 501137861 /nfs/dbraw/zinc/13/78/61/501137861.db2.gz SLHDTJMFQYACFF-FBBABVLZSA-N 1 2 372.509 3.099 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3nc(C#N)c(Cl)s3)CC2)cc1 ZINC000596063440 506236504 /nfs/dbraw/zinc/23/65/04/506236504.db2.gz RXQZQPKEHKSCTQ-UHFFFAOYSA-N 1 2 362.886 3.389 20 30 FGEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450121162 501186476 /nfs/dbraw/zinc/18/64/76/501186476.db2.gz ILCVJJRBSKXIER-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000450121162 501186478 /nfs/dbraw/zinc/18/64/78/501186478.db2.gz ILCVJJRBSKXIER-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1C ZINC000451268509 501256546 /nfs/dbraw/zinc/25/65/46/501256546.db2.gz RREZMGRVSCIOJK-RBBKRZOGSA-N 1 2 370.468 3.274 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1C ZINC000451268509 501256547 /nfs/dbraw/zinc/25/65/47/501256547.db2.gz RREZMGRVSCIOJK-RBBKRZOGSA-N 1 2 370.468 3.274 20 30 FGEDLO C=CCC[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455287892 501263382 /nfs/dbraw/zinc/26/33/82/501263382.db2.gz KKBZADLICYGJNL-KRWDZBQOSA-N 1 2 354.454 3.335 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1 ZINC000451678302 501349040 /nfs/dbraw/zinc/34/90/40/501349040.db2.gz DYHMYNAUYNRTPT-CVEARBPZSA-N 1 2 372.494 3.176 20 30 FGEDLO CC1(C)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC[S@@]1=O ZINC000451761390 501367642 /nfs/dbraw/zinc/36/76/42/501367642.db2.gz VJWRWHAWPOMQCV-DEOSSOPVSA-N 1 2 359.413 3.170 20 30 FGEDLO CC1(C)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC[S@@]1=O ZINC000451761390 501367645 /nfs/dbraw/zinc/36/76/45/501367645.db2.gz VJWRWHAWPOMQCV-DEOSSOPVSA-N 1 2 359.413 3.170 20 30 FGEDLO CN(C)c1cc(NC(=O)NCC(C)(C)CCC#N)[nH+]cc1Br ZINC000455873603 501404253 /nfs/dbraw/zinc/40/42/53/501404253.db2.gz YAWQHXJYPPPEAK-UHFFFAOYSA-N 1 2 368.279 3.362 20 30 FGEDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC000452051278 501425424 /nfs/dbraw/zinc/42/54/24/501425424.db2.gz YQNXOXFWOHAGEB-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000455962890 501426882 /nfs/dbraw/zinc/42/68/82/501426882.db2.gz ARKUBAPHDNQCEN-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000455980302 501431224 /nfs/dbraw/zinc/43/12/24/501431224.db2.gz FJWSGHOFIMCZTJ-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000455980302 501431226 /nfs/dbraw/zinc/43/12/26/501431226.db2.gz FJWSGHOFIMCZTJ-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459009472 501576632 /nfs/dbraw/zinc/57/66/32/501576632.db2.gz MHDAZTWIKCZMPS-WMZOPIPTSA-N 1 2 351.454 3.155 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000454625423 501595496 /nfs/dbraw/zinc/59/54/96/501595496.db2.gz VFIKXUGTKXCFKT-MOPGFXCFSA-N 1 2 368.481 3.049 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000459378599 501642826 /nfs/dbraw/zinc/64/28/26/501642826.db2.gz YUPIXLOOUDVDLU-UHFFFAOYSA-N 1 2 355.369 3.401 20 30 FGEDLO Cc1nsc(NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1C#N ZINC000459598035 501684445 /nfs/dbraw/zinc/68/44/45/501684445.db2.gz YSAQEAYYYPUFOC-ZDUSSCGKSA-N 1 2 365.409 3.026 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccccc2OCCCCO)CC1 ZINC000602710824 506270835 /nfs/dbraw/zinc/27/08/35/506270835.db2.gz YIKQVIXWQIZTCU-UHFFFAOYSA-N 1 2 371.506 3.093 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000474257981 501763367 /nfs/dbraw/zinc/76/33/67/501763367.db2.gz ONJNPFAIVPUZIO-LJQANCHMSA-N 1 2 350.890 3.213 20 30 FGEDLO C=CCOCCC[N@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000470776173 501799718 /nfs/dbraw/zinc/79/97/18/501799718.db2.gz FNDYWOYZLNWMAD-HNNXBMFYSA-N 1 2 361.408 3.028 20 30 FGEDLO C=CCOCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000470776173 501799723 /nfs/dbraw/zinc/79/97/23/501799723.db2.gz FNDYWOYZLNWMAD-HNNXBMFYSA-N 1 2 361.408 3.028 20 30 FGEDLO N#CC[C@@]1(O)CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000592843904 506275747 /nfs/dbraw/zinc/27/57/47/506275747.db2.gz HQSHSIDRPMZUET-GOSISDBHSA-N 1 2 357.797 3.018 20 30 FGEDLO COc1cccc(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000468030758 501935090 /nfs/dbraw/zinc/93/50/90/501935090.db2.gz RPIJBPOVRJBTEU-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)OCC ZINC000485784678 501936050 /nfs/dbraw/zinc/93/60/50/501936050.db2.gz KMHDLUKBARHCBS-AOIWGVFYSA-N 1 2 352.425 3.198 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)OCC ZINC000485784678 501936052 /nfs/dbraw/zinc/93/60/52/501936052.db2.gz KMHDLUKBARHCBS-AOIWGVFYSA-N 1 2 352.425 3.198 20 30 FGEDLO C[C@@H](OC1CCCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471159241 501940537 /nfs/dbraw/zinc/94/05/37/501940537.db2.gz DUBDNBXVRPABBH-GOSISDBHSA-N 1 2 369.509 3.330 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464274589 501940533 /nfs/dbraw/zinc/94/05/33/501940533.db2.gz IFJHVMOZLBJNDW-QGZVFWFLSA-N 1 2 374.444 3.229 20 30 FGEDLO CCOC(=O)c1cnc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000464762131 502084721 /nfs/dbraw/zinc/08/47/21/502084721.db2.gz IMJJBDQVIJQLJT-CQSZACIVSA-N 1 2 370.478 3.075 20 30 FGEDLO C[N@@H+](CCC#N)CCOc1c(Br)cccc1Br ZINC000482724855 502162572 /nfs/dbraw/zinc/16/25/72/502162572.db2.gz UAYFKGRTCVENFY-UHFFFAOYSA-N 1 2 362.065 3.436 20 30 FGEDLO C[N@H+](CCC#N)CCOc1c(Br)cccc1Br ZINC000482724855 502162578 /nfs/dbraw/zinc/16/25/78/502162578.db2.gz UAYFKGRTCVENFY-UHFFFAOYSA-N 1 2 362.065 3.436 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(C#N)c1 ZINC000462025983 502279506 /nfs/dbraw/zinc/27/95/06/502279506.db2.gz LIKZKJCZMWGUNY-PBHICJAKSA-N 1 2 350.466 3.287 20 30 FGEDLO C=CC[N@H+](Cc1ccncc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000472239665 502282134 /nfs/dbraw/zinc/28/21/34/502282134.db2.gz LJQPTOHNWOJEDA-AWEZNQCLSA-N 1 2 354.845 3.460 20 30 FGEDLO C=CC[N@@H+](Cc1ccncc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000472239665 502282139 /nfs/dbraw/zinc/28/21/39/502282139.db2.gz LJQPTOHNWOJEDA-AWEZNQCLSA-N 1 2 354.845 3.460 20 30 FGEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C#N ZINC000483145018 502290840 /nfs/dbraw/zinc/29/08/40/502290840.db2.gz UIVHOHVDKPMYDV-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C#N ZINC000483145018 502290844 /nfs/dbraw/zinc/29/08/44/502290844.db2.gz UIVHOHVDKPMYDV-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469252174 502351602 /nfs/dbraw/zinc/35/16/02/502351602.db2.gz OIMMNKYCPDBIQP-UYAOXDASSA-N 1 2 365.433 3.037 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472599213 502396946 /nfs/dbraw/zinc/39/69/46/502396946.db2.gz HZDRKYOOOURMHH-QFIPXVFZSA-N 1 2 361.445 3.467 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472599213 502396949 /nfs/dbraw/zinc/39/69/49/502396949.db2.gz HZDRKYOOOURMHH-QFIPXVFZSA-N 1 2 361.445 3.467 20 30 FGEDLO C[C@@H]1C[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@@H](C)N1CC#N ZINC000602859883 506329229 /nfs/dbraw/zinc/32/92/29/506329229.db2.gz ZRKKNQOBCAJIGL-NSCUQIJASA-N 1 2 374.337 3.019 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857649 506329862 /nfs/dbraw/zinc/32/98/62/506329862.db2.gz XAMRGUKDMFUZKY-RHSMWYFYSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857649 506329867 /nfs/dbraw/zinc/32/98/67/506329867.db2.gz XAMRGUKDMFUZKY-RHSMWYFYSA-N 1 2 352.438 3.370 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2ccccn2)cc1 ZINC000466968974 502742067 /nfs/dbraw/zinc/74/20/67/502742067.db2.gz IVBCUPPFDHULHJ-UHFFFAOYSA-N 1 2 366.465 3.249 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2ccccn2)cc1 ZINC000466968974 502742073 /nfs/dbraw/zinc/74/20/73/502742073.db2.gz IVBCUPPFDHULHJ-UHFFFAOYSA-N 1 2 366.465 3.249 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000481058525 502743637 /nfs/dbraw/zinc/74/36/37/502743637.db2.gz OLXWKPCFASAZHL-ZDUSSCGKSA-N 1 2 363.177 3.210 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000481058525 502743641 /nfs/dbraw/zinc/74/36/41/502743641.db2.gz OLXWKPCFASAZHL-ZDUSSCGKSA-N 1 2 363.177 3.210 20 30 FGEDLO Cc1cccc(Cl)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000488574311 502754246 /nfs/dbraw/zinc/75/42/46/502754246.db2.gz CUMYIOLTWXQKQM-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO CC(C)(C)C1CCC(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000481201685 502781979 /nfs/dbraw/zinc/78/19/79/502781979.db2.gz ABFFNYVXHDOUJE-UHFFFAOYSA-N 1 2 363.546 3.303 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477489907 502787311 /nfs/dbraw/zinc/78/73/11/502787311.db2.gz CXMOFNOMCALDAW-IAGOWNOFSA-N 1 2 374.909 3.498 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477489907 502787312 /nfs/dbraw/zinc/78/73/12/502787312.db2.gz CXMOFNOMCALDAW-IAGOWNOFSA-N 1 2 374.909 3.498 20 30 FGEDLO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000488951033 502846187 /nfs/dbraw/zinc/84/61/87/502846187.db2.gz IBPMQXRKYVEQRU-RBUKOAKNSA-N 1 2 369.509 3.050 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000602895414 506341369 /nfs/dbraw/zinc/34/13/69/506341369.db2.gz MYAKZLCSCAHCPZ-UHFFFAOYSA-N 1 2 362.481 3.439 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513372210 502917456 /nfs/dbraw/zinc/91/74/56/502917456.db2.gz SBZQHFAOXNHRBQ-MRXNPFEDSA-N 1 2 366.440 3.237 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513372210 502917460 /nfs/dbraw/zinc/91/74/60/502917460.db2.gz SBZQHFAOXNHRBQ-MRXNPFEDSA-N 1 2 366.440 3.237 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c(C#N)c1C ZINC000513377056 502919990 /nfs/dbraw/zinc/91/99/90/502919990.db2.gz RRZAPQXPHIXZAT-UHFFFAOYSA-N 1 2 370.428 3.058 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)c(C#N)c1C ZINC000513377056 502919995 /nfs/dbraw/zinc/91/99/95/502919995.db2.gz RRZAPQXPHIXZAT-UHFFFAOYSA-N 1 2 370.428 3.058 20 30 FGEDLO N#Cc1csc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000506102044 503048356 /nfs/dbraw/zinc/04/83/56/503048356.db2.gz WPISEWXWKGOEDE-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000506102044 503048361 /nfs/dbraw/zinc/04/83/61/503048361.db2.gz WPISEWXWKGOEDE-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489881573 503055797 /nfs/dbraw/zinc/05/57/97/503055797.db2.gz GPJQPXVVOATTHZ-ICSRJNTNSA-N 1 2 357.417 3.179 20 30 FGEDLO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506203814 503069158 /nfs/dbraw/zinc/06/91/58/503069158.db2.gz FGVKEKKRVLHCPI-GOSISDBHSA-N 1 2 360.421 3.143 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4ccc(F)c(F)c4C3)C2=O)cc1 ZINC000489977621 503080839 /nfs/dbraw/zinc/08/08/39/503080839.db2.gz KAWPQIJAFIAUDI-IBGZPJMESA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4ccc(F)c(F)c4C3)C2=O)cc1 ZINC000489977621 503080842 /nfs/dbraw/zinc/08/08/42/503080842.db2.gz KAWPQIJAFIAUDI-IBGZPJMESA-N 1 2 367.399 3.390 20 30 FGEDLO C=CCn1cccc1C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000489986703 503082715 /nfs/dbraw/zinc/08/27/15/503082715.db2.gz BZEZAYJIQCWKTP-IBGZPJMESA-N 1 2 367.493 3.037 20 30 FGEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490048000 503098495 /nfs/dbraw/zinc/09/84/95/503098495.db2.gz SHKULTZZQMKNOJ-WMZOPIPTSA-N 1 2 372.513 3.042 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490048000 503098500 /nfs/dbraw/zinc/09/85/00/503098500.db2.gz SHKULTZZQMKNOJ-WMZOPIPTSA-N 1 2 372.513 3.042 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000514754548 503184093 /nfs/dbraw/zinc/18/40/93/503184093.db2.gz XEGNWEUAUPUFSY-UHFFFAOYSA-N 1 2 365.477 3.494 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000514754548 503184096 /nfs/dbraw/zinc/18/40/96/503184096.db2.gz XEGNWEUAUPUFSY-UHFFFAOYSA-N 1 2 365.477 3.494 20 30 FGEDLO Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(F)(C#N)CC1 ZINC000510922515 503217877 /nfs/dbraw/zinc/21/78/77/503217877.db2.gz VMDHWYAXZPWXEI-UHFFFAOYSA-N 1 2 351.223 3.163 20 30 FGEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507162339 503240959 /nfs/dbraw/zinc/24/09/59/503240959.db2.gz DGYZONYUFCRQQZ-QGZVFWFLSA-N 1 2 374.504 3.150 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507206282 503250258 /nfs/dbraw/zinc/25/02/58/503250258.db2.gz NNZLILJKGAGCBC-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602945283 506360566 /nfs/dbraw/zinc/36/05/66/506360566.db2.gz ZKBYKSCWCCTKAB-CYBMUJFWSA-N 1 2 357.483 3.183 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000602945283 506360573 /nfs/dbraw/zinc/36/05/73/506360573.db2.gz ZKBYKSCWCCTKAB-CYBMUJFWSA-N 1 2 357.483 3.183 20 30 FGEDLO N#Cc1c(NC(=O)C[NH+]2CCC(C3(O)CC3)CC2)sc2c1CCCCC2 ZINC000593051737 506360931 /nfs/dbraw/zinc/36/09/31/506360931.db2.gz VNCSUSVRUXKEIU-UHFFFAOYSA-N 1 2 373.522 3.064 20 30 FGEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507277215 503267884 /nfs/dbraw/zinc/26/78/84/503267884.db2.gz IRSSLEIZLSBPBD-QGZVFWFLSA-N 1 2 362.477 3.270 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000498905285 503287957 /nfs/dbraw/zinc/28/79/57/503287957.db2.gz ARVBDNDNZTUFFT-UHFFFAOYSA-N 1 2 353.470 3.255 20 30 FGEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502930080 503309339 /nfs/dbraw/zinc/30/93/39/503309339.db2.gz HRRVLKSLLJEREN-UHFFFAOYSA-N 1 2 351.425 3.439 20 30 FGEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000502930080 503309344 /nfs/dbraw/zinc/30/93/44/503309344.db2.gz HRRVLKSLLJEREN-UHFFFAOYSA-N 1 2 351.425 3.439 20 30 FGEDLO C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000507552262 503320116 /nfs/dbraw/zinc/32/01/16/503320116.db2.gz NNVFNWXYNYQBII-UHFFFAOYSA-N 1 2 374.491 3.178 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000491605294 503323627 /nfs/dbraw/zinc/32/36/27/503323627.db2.gz ULBGTHREYUSCEZ-OAHLLOKOSA-N 1 2 367.193 3.422 20 30 FGEDLO CC(C)N1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000507719605 503355073 /nfs/dbraw/zinc/35/50/73/503355073.db2.gz BMDAYYPNVRBCME-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO CC(C)N1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000507719605 503355074 /nfs/dbraw/zinc/35/50/74/503355074.db2.gz BMDAYYPNVRBCME-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC3CCCC3)CC2)cc1 ZINC000503283909 503384173 /nfs/dbraw/zinc/38/41/73/503384173.db2.gz NPCZEWJNJACNQJ-UHFFFAOYSA-N 1 2 354.498 3.356 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508291058 503469291 /nfs/dbraw/zinc/46/92/91/503469291.db2.gz ZDNUIKVZYJDCPV-ZWKOTPCHSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508291058 503469296 /nfs/dbraw/zinc/46/92/96/503469296.db2.gz ZDNUIKVZYJDCPV-ZWKOTPCHSA-N 1 2 360.498 3.099 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000512215246 503488579 /nfs/dbraw/zinc/48/85/79/503488579.db2.gz ZQHZNMBOJDNLPG-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(CO)o1 ZINC000512215246 503488581 /nfs/dbraw/zinc/48/85/81/503488581.db2.gz ZQHZNMBOJDNLPG-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000512218894 503489415 /nfs/dbraw/zinc/48/94/15/503489415.db2.gz MIMLECFVWFLVRR-UHFFFAOYSA-N 1 2 364.405 3.272 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000512218894 503489417 /nfs/dbraw/zinc/48/94/17/503489417.db2.gz MIMLECFVWFLVRR-UHFFFAOYSA-N 1 2 364.405 3.272 20 30 FGEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508802799 503567399 /nfs/dbraw/zinc/56/73/99/503567399.db2.gz SSXOSDIYQJZCEM-UHFFFAOYSA-N 1 2 371.916 3.392 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccccc1 ZINC000512667913 503607910 /nfs/dbraw/zinc/60/79/10/503607910.db2.gz RXPNOZSPFFRKQU-UHFFFAOYSA-N 1 2 365.477 3.106 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512793302 503632556 /nfs/dbraw/zinc/63/25/56/503632556.db2.gz SKMXIXDSHNZBFE-UHFFFAOYSA-N 1 2 353.470 3.495 20 30 FGEDLO COCc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 ZINC000512842255 503643275 /nfs/dbraw/zinc/64/32/75/503643275.db2.gz ZOWZAVCFINFXTM-UHFFFAOYSA-N 1 2 361.442 3.344 20 30 FGEDLO N#Cc1ccc(OCc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000546278692 503696961 /nfs/dbraw/zinc/69/69/61/503696961.db2.gz ZUJJYPNFEUFXCX-UHFFFAOYSA-N 1 2 357.373 3.432 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000533148897 503744367 /nfs/dbraw/zinc/74/43/67/503744367.db2.gz OVACLWKHAQFLOZ-UHFFFAOYSA-N 1 2 372.465 3.351 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000533391175 503827695 /nfs/dbraw/zinc/82/76/95/503827695.db2.gz MHISHCHZUJONHT-UHFFFAOYSA-N 1 2 373.507 3.325 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000533391175 503827699 /nfs/dbraw/zinc/82/76/99/503827699.db2.gz MHISHCHZUJONHT-UHFFFAOYSA-N 1 2 373.507 3.325 20 30 FGEDLO N#Cc1cccc(C2(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000533397084 503830942 /nfs/dbraw/zinc/83/09/42/503830942.db2.gz FMDSTCOHIMBTHF-UHFFFAOYSA-N 1 2 361.445 3.061 20 30 FGEDLO CCCc1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000540689451 503856742 /nfs/dbraw/zinc/85/67/42/503856742.db2.gz JDHYCXVUAYTSLD-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000537365475 503891127 /nfs/dbraw/zinc/89/11/27/503891127.db2.gz ULYRLDBACAPYAZ-KRWDZBQOSA-N 1 2 357.498 3.100 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC(CC#N)CC2)c1)[NH+]1CCOCC1 ZINC000543828607 503906931 /nfs/dbraw/zinc/90/69/31/503906931.db2.gz APGWGKGGYYVORW-INIZCTEOSA-N 1 2 356.470 3.237 20 30 FGEDLO C=CC[N@@H+](Cc1nccn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530732878 504067933 /nfs/dbraw/zinc/06/79/33/504067933.db2.gz WDSCVQGQOSBXAH-INIZCTEOSA-N 1 2 351.458 3.189 20 30 FGEDLO C=CC[N@H+](Cc1nccn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000530732878 504067935 /nfs/dbraw/zinc/06/79/35/504067935.db2.gz WDSCVQGQOSBXAH-INIZCTEOSA-N 1 2 351.458 3.189 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c(F)c1 ZINC000534349710 504118898 /nfs/dbraw/zinc/11/88/98/504118898.db2.gz DRIDDTSANYEJDM-GOSISDBHSA-N 1 2 372.469 3.328 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000538219428 504166680 /nfs/dbraw/zinc/16/66/80/504166680.db2.gz FPLBBYYXCVBNEL-QFBILLFUSA-N 1 2 373.403 3.100 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000538219428 504166682 /nfs/dbraw/zinc/16/66/82/504166682.db2.gz FPLBBYYXCVBNEL-QFBILLFUSA-N 1 2 373.403 3.100 20 30 FGEDLO N#Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000538687922 504328224 /nfs/dbraw/zinc/32/82/24/504328224.db2.gz DDWXUWSJTFSHTE-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO Cc1cccn2cc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)[nH+]c12 ZINC000542004194 504332844 /nfs/dbraw/zinc/33/28/44/504332844.db2.gz FQEPQGCIYDXWCX-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO COC(=O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000538715326 504339541 /nfs/dbraw/zinc/33/95/41/504339541.db2.gz RRAVICDDBSOPPV-UHFFFAOYSA-N 1 2 374.444 3.134 20 30 FGEDLO COC(=O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000538715326 504339547 /nfs/dbraw/zinc/33/95/47/504339547.db2.gz RRAVICDDBSOPPV-UHFFFAOYSA-N 1 2 374.444 3.134 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000545187322 504389961 /nfs/dbraw/zinc/38/99/61/504389961.db2.gz GPSXURQMBSQDLX-SFHVURJKSA-N 1 2 363.461 3.446 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000545187322 504389968 /nfs/dbraw/zinc/38/99/68/504389968.db2.gz GPSXURQMBSQDLX-SFHVURJKSA-N 1 2 363.461 3.446 20 30 FGEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542249463 504422189 /nfs/dbraw/zinc/42/21/89/504422189.db2.gz RCFWCPKODFHJCV-UHFFFAOYSA-N 1 2 364.405 3.378 20 30 FGEDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542249463 504422195 /nfs/dbraw/zinc/42/21/95/504422195.db2.gz RCFWCPKODFHJCV-UHFFFAOYSA-N 1 2 364.405 3.378 20 30 FGEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000545277577 504427479 /nfs/dbraw/zinc/42/74/79/504427479.db2.gz AIEDKJXHRXQEAS-HXUWFJFHSA-N 1 2 359.420 3.252 20 30 FGEDLO N#Cc1cccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1F ZINC000539311317 504526141 /nfs/dbraw/zinc/52/61/41/504526141.db2.gz JFTDZKRLQAFKJH-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521350400 504715374 /nfs/dbraw/zinc/71/53/74/504715374.db2.gz LPKKAUSCBDNDDH-XLIONFOSSA-N 1 2 354.498 3.212 20 30 FGEDLO N#CC1(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CCSCC1 ZINC000539869113 504723254 /nfs/dbraw/zinc/72/32/54/504723254.db2.gz POKKWMZXCUXAPI-UHFFFAOYSA-N 1 2 354.479 3.209 20 30 FGEDLO Cc1ccc(Oc2ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)cc1 ZINC000565050630 504781475 /nfs/dbraw/zinc/78/14/75/504781475.db2.gz HKIZTFYTEPPINF-NRFANRHFSA-N 1 2 367.449 3.126 20 30 FGEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549668036 504870614 /nfs/dbraw/zinc/87/06/14/504870614.db2.gz NBRDPNYSCYISSV-UHFFFAOYSA-N 1 2 368.529 3.160 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000549827505 504909251 /nfs/dbraw/zinc/90/92/51/504909251.db2.gz ABHWYLBPMLLTNR-LJQANCHMSA-N 1 2 353.853 3.145 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000549827505 504909256 /nfs/dbraw/zinc/90/92/56/504909256.db2.gz ABHWYLBPMLLTNR-LJQANCHMSA-N 1 2 353.853 3.145 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccc(C)cc1 ZINC000559995955 504966005 /nfs/dbraw/zinc/96/60/05/504966005.db2.gz FFAXBNMUJFHAJP-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccc(C)cc1 ZINC000559995955 504966010 /nfs/dbraw/zinc/96/60/10/504966010.db2.gz FFAXBNMUJFHAJP-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO N#CCCC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000566172562 505104165 /nfs/dbraw/zinc/10/41/65/505104165.db2.gz FPGZCPLCRIMHGI-UHFFFAOYSA-N 1 2 362.437 3.037 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000557584068 505175475 /nfs/dbraw/zinc/17/54/75/505175475.db2.gz RKOCOYJXBIACDN-GOSISDBHSA-N 1 2 357.408 3.208 20 30 FGEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000554909493 505296257 /nfs/dbraw/zinc/29/62/57/505296257.db2.gz ZONMHWRDLQNUDU-UHFFFAOYSA-N 1 2 359.389 3.480 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000555033297 505333272 /nfs/dbraw/zinc/33/32/72/505333272.db2.gz NVAFZGNFMTYKEJ-UHFFFAOYSA-N 1 2 362.433 3.371 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000555033297 505333275 /nfs/dbraw/zinc/33/32/75/505333275.db2.gz NVAFZGNFMTYKEJ-UHFFFAOYSA-N 1 2 362.433 3.371 20 30 FGEDLO C[C@@H]1CCC[C@H](OCc2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)C1 ZINC000567043386 505347707 /nfs/dbraw/zinc/34/77/07/505347707.db2.gz TWPRDMCKCDTHRV-UIFIKXQLSA-N 1 2 359.514 3.400 20 30 FGEDLO C[C@@H]1CCC[C@H](OCc2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)C1 ZINC000567043386 505347709 /nfs/dbraw/zinc/34/77/09/505347709.db2.gz TWPRDMCKCDTHRV-UIFIKXQLSA-N 1 2 359.514 3.400 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558865961 505514889 /nfs/dbraw/zinc/51/48/89/505514889.db2.gz OCANOUMIQALCBF-OXJNMPFZSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558865961 505514895 /nfs/dbraw/zinc/51/48/95/505514895.db2.gz OCANOUMIQALCBF-OXJNMPFZSA-N 1 2 358.388 3.008 20 30 FGEDLO CN(C)c1cc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)[nH+]cc1Br ZINC000603029701 506387505 /nfs/dbraw/zinc/38/75/05/506387505.db2.gz NMJXEOPFOPKXFW-PWSUYJOCSA-N 1 2 366.263 3.066 20 30 FGEDLO Cc1cc(N2C[C@@H](C)OC(C)(C)C2)c(C#N)c(N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC000589108594 506443694 /nfs/dbraw/zinc/44/36/94/506443694.db2.gz GFGZLAMLJIDGDX-HZPDHXFCSA-N 1 2 372.513 3.269 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CC2 ZINC000599423453 506449769 /nfs/dbraw/zinc/44/97/69/506449769.db2.gz YDRRKOVDFCUGEI-DOMZBBRYSA-N 1 2 363.248 3.442 20 30 FGEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccccc1C(C)(C)C#N ZINC000599443563 506457675 /nfs/dbraw/zinc/45/76/75/506457675.db2.gz BJAPCDGGLXFZBZ-FQEVSTJZSA-N 1 2 360.465 3.092 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000599449993 506461876 /nfs/dbraw/zinc/46/18/76/506461876.db2.gz IVGYOFIYBNKAEN-UHFFFAOYSA-N 1 2 363.339 3.391 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000599449993 506461879 /nfs/dbraw/zinc/46/18/79/506461879.db2.gz IVGYOFIYBNKAEN-UHFFFAOYSA-N 1 2 363.339 3.391 20 30 FGEDLO COCc1cc(C#N)ccc1NC[C@H](c1ccc(C)o1)[NH+]1CCOCC1 ZINC000603273166 506473506 /nfs/dbraw/zinc/47/35/06/506473506.db2.gz OAEAOZFJIBHXQM-LJQANCHMSA-N 1 2 355.438 3.092 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C#N ZINC000589272775 506504572 /nfs/dbraw/zinc/50/45/72/506504572.db2.gz VSCPIJCWNCJUDZ-WOJBJXKFSA-N 1 2 350.466 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C#N ZINC000589272775 506504576 /nfs/dbraw/zinc/50/45/76/506504576.db2.gz VSCPIJCWNCJUDZ-WOJBJXKFSA-N 1 2 350.466 3.442 20 30 FGEDLO CN(C)c1cc[nH+]c(NC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC000612347220 506539630 /nfs/dbraw/zinc/53/96/30/506539630.db2.gz VXWRIDVIKTUIEX-UHFFFAOYSA-N 1 2 362.389 3.444 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1c(F)cccc1F ZINC000593346735 506560527 /nfs/dbraw/zinc/56/05/27/506560527.db2.gz CGOSUGXYGYTYRP-SFHVURJKSA-N 1 2 370.403 3.165 20 30 FGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000589504303 506572850 /nfs/dbraw/zinc/57/28/50/506572850.db2.gz OAOFOEXVZUEDSF-OAQYLSRUSA-N 1 2 356.429 3.149 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C2 ZINC000599679033 506575142 /nfs/dbraw/zinc/57/51/42/506575142.db2.gz OCKRMLCCVGUSCQ-UHFFFAOYSA-N 1 2 353.853 3.081 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C2 ZINC000599679033 506575146 /nfs/dbraw/zinc/57/51/46/506575146.db2.gz OCKRMLCCVGUSCQ-UHFFFAOYSA-N 1 2 353.853 3.081 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000589516143 506576134 /nfs/dbraw/zinc/57/61/34/506576134.db2.gz HFYXHOFLEARFAS-CQSZACIVSA-N 1 2 350.451 3.179 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000589516143 506576137 /nfs/dbraw/zinc/57/61/37/506576137.db2.gz HFYXHOFLEARFAS-CQSZACIVSA-N 1 2 350.451 3.179 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H](C#N)CC)cc1 ZINC000593450591 506625187 /nfs/dbraw/zinc/62/51/87/506625187.db2.gz OUCWOJSRAUARPF-GOSISDBHSA-N 1 2 354.454 3.250 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1c(Cl)cccc1Cl ZINC000593459615 506631378 /nfs/dbraw/zinc/63/13/78/506631378.db2.gz XNYSDNACJLUYCR-CQSZACIVSA-N 1 2 363.248 3.450 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000593458396 506631385 /nfs/dbraw/zinc/63/13/85/506631385.db2.gz ORUAOWPETRMDIM-HNNXBMFYSA-N 1 2 362.355 3.162 20 30 FGEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000593571613 506687565 /nfs/dbraw/zinc/68/75/65/506687565.db2.gz WDKGURZCWLGLFM-AWEZNQCLSA-N 1 2 354.281 3.230 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000590022679 506707990 /nfs/dbraw/zinc/70/79/90/506707990.db2.gz YAEXJVMIHUMHSK-GOSISDBHSA-N 1 2 350.466 3.301 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000590022679 506707995 /nfs/dbraw/zinc/70/79/95/506707995.db2.gz YAEXJVMIHUMHSK-GOSISDBHSA-N 1 2 350.466 3.301 20 30 FGEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccsc4)CC3)cc2)CC1 ZINC000596991354 506717912 /nfs/dbraw/zinc/71/79/12/506717912.db2.gz JBIYSDVVOJYZMP-UHFFFAOYSA-N 1 2 351.475 3.261 20 30 FGEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000597014039 506732438 /nfs/dbraw/zinc/73/24/38/506732438.db2.gz DRRZTVHDPLKMTH-UHFFFAOYSA-N 1 2 355.482 3.216 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ncc(C#N)cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000608886156 506737769 /nfs/dbraw/zinc/73/77/69/506737769.db2.gz ZXAOHJYYMJVALR-STQMWFEESA-N 1 2 357.845 3.227 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276127 506770937 /nfs/dbraw/zinc/77/09/37/506770937.db2.gz GBSZTPDUSLYUKN-WOPDTQHZSA-N 1 2 373.341 3.057 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)n1 ZINC000600152158 506808135 /nfs/dbraw/zinc/80/81/35/506808135.db2.gz RYLGEKFRUPZQFC-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCc4[nH]c[nH+]c4C3)c2)c1 ZINC000590553054 506856650 /nfs/dbraw/zinc/85/66/50/506856650.db2.gz TVFSTIPTXYRWPB-UHFFFAOYSA-N 1 2 358.401 3.059 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCc4[nH+]c[nH]c4C3)c2)c1 ZINC000590553054 506856656 /nfs/dbraw/zinc/85/66/56/506856656.db2.gz TVFSTIPTXYRWPB-UHFFFAOYSA-N 1 2 358.401 3.059 20 30 FGEDLO C[N@@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000590580383 506867450 /nfs/dbraw/zinc/86/74/50/506867450.db2.gz CADJBCPJUMNMNJ-WCQYABFASA-N 1 2 354.813 3.226 20 30 FGEDLO C[N@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000590580383 506867459 /nfs/dbraw/zinc/86/74/59/506867459.db2.gz CADJBCPJUMNMNJ-WCQYABFASA-N 1 2 354.813 3.226 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026716 506892334 /nfs/dbraw/zinc/89/23/34/506892334.db2.gz NTSPVHFEXHMZLR-HIFRSBDPSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026716 506892341 /nfs/dbraw/zinc/89/23/41/506892341.db2.gz NTSPVHFEXHMZLR-HIFRSBDPSA-N 1 2 373.522 3.469 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564422 506923574 /nfs/dbraw/zinc/92/35/74/506923574.db2.gz QQYOAWGYQZDMBH-HXUWFJFHSA-N 1 2 355.869 3.063 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564422 506923583 /nfs/dbraw/zinc/92/35/83/506923583.db2.gz QQYOAWGYQZDMBH-HXUWFJFHSA-N 1 2 355.869 3.063 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)nc1 ZINC000590754299 506939961 /nfs/dbraw/zinc/93/99/61/506939961.db2.gz RORGMRKQXPYVNN-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)nc1 ZINC000590754299 506939968 /nfs/dbraw/zinc/93/99/68/506939968.db2.gz RORGMRKQXPYVNN-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO N#Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc2ccccc12 ZINC000609891020 507040070 /nfs/dbraw/zinc/04/00/70/507040070.db2.gz AJUQFYLOZSCPOC-OAQYLSRUSA-N 1 2 358.445 3.014 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597643091 507043373 /nfs/dbraw/zinc/04/33/73/507043373.db2.gz XPGHVHFRQXECGG-UHFFFAOYSA-N 1 2 354.479 3.101 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000594314544 507075909 /nfs/dbraw/zinc/07/59/09/507075909.db2.gz KSUCQJHTCYYTSZ-GOSISDBHSA-N 1 2 372.472 3.492 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610348002 507205301 /nfs/dbraw/zinc/20/53/01/507205301.db2.gz JFDZCBSPIAWFEF-LJQANCHMSA-N 1 2 359.433 3.075 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc(C#N)c1 ZINC000610356221 507210439 /nfs/dbraw/zinc/21/04/39/507210439.db2.gz MBRQMENJMGATSG-IRXDYDNUSA-N 1 2 363.465 3.103 20 30 FGEDLO N#Cc1ccc2nc(NCc3cc[nH+]c(N4CCSCC4)c3)ccc2c1 ZINC000601240508 507307425 /nfs/dbraw/zinc/30/74/25/507307425.db2.gz JSLLXWUYFMXDQD-UHFFFAOYSA-N 1 2 361.474 3.089 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604670 507316950 /nfs/dbraw/zinc/31/69/50/507316950.db2.gz ZWWLWRBHQJAENA-DCQANWLSSA-N 1 2 373.341 3.102 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604670 507316955 /nfs/dbraw/zinc/31/69/55/507316955.db2.gz ZWWLWRBHQJAENA-DCQANWLSSA-N 1 2 373.341 3.102 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000584478869 507367196 /nfs/dbraw/zinc/36/71/96/507367196.db2.gz DMSPZJUGRMQCOQ-GJZGRUSLSA-N 1 2 364.371 3.400 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)cc1 ZINC000610847135 507411238 /nfs/dbraw/zinc/41/12/38/507411238.db2.gz MWZCHUWDRHVDJH-UHFFFAOYSA-N 1 2 356.389 3.084 20 30 FGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000595296716 507453641 /nfs/dbraw/zinc/45/36/41/507453641.db2.gz HLJSFAYPZKUFII-UHFFFAOYSA-N 1 2 354.454 3.425 20 30 FGEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000595296716 507453643 /nfs/dbraw/zinc/45/36/43/507453643.db2.gz HLJSFAYPZKUFII-UHFFFAOYSA-N 1 2 354.454 3.425 20 30 FGEDLO COc1cc(OC)c(C2CC[NH+](Cc3ccncc3C#N)CC2)c(OC)c1 ZINC000592059723 507470151 /nfs/dbraw/zinc/47/01/51/507470151.db2.gz URWCUJNVIRRJIT-UHFFFAOYSA-N 1 2 367.449 3.359 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnc(C#N)c1 ZINC000610991486 507471482 /nfs/dbraw/zinc/47/14/82/507471482.db2.gz IEOBWEOQFPSWHK-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnc(C#N)c1 ZINC000610991486 507471490 /nfs/dbraw/zinc/47/14/90/507471490.db2.gz IEOBWEOQFPSWHK-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596662 507512438 /nfs/dbraw/zinc/51/24/38/507512438.db2.gz RSSQWKQYIIUDPF-SWLSCSKDSA-N 1 2 373.280 3.440 20 30 FGEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596662 507512444 /nfs/dbraw/zinc/51/24/44/507512444.db2.gz RSSQWKQYIIUDPF-SWLSCSKDSA-N 1 2 373.280 3.440 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000611177118 507548326 /nfs/dbraw/zinc/54/83/26/507548326.db2.gz UYGFXZZIJBYVMN-CQSZACIVSA-N 1 2 369.387 3.216 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000611177118 507548336 /nfs/dbraw/zinc/54/83/36/507548336.db2.gz UYGFXZZIJBYVMN-CQSZACIVSA-N 1 2 369.387 3.216 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000611209109 507561222 /nfs/dbraw/zinc/56/12/22/507561222.db2.gz FYUMFHMPFNTIIZ-UHFFFAOYSA-N 1 2 372.856 3.122 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000611209109 507561227 /nfs/dbraw/zinc/56/12/27/507561227.db2.gz FYUMFHMPFNTIIZ-UHFFFAOYSA-N 1 2 372.856 3.122 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000614551062 507562377 /nfs/dbraw/zinc/56/23/77/507562377.db2.gz IEPJNSOQMYYUHL-SFHVURJKSA-N 1 2 368.481 3.021 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)c(C#N)c1C ZINC000611258369 507586295 /nfs/dbraw/zinc/58/62/95/507586295.db2.gz JQYRPFYBNBBJMG-UHFFFAOYSA-N 1 2 354.479 3.450 20 30 FGEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611260043 507588113 /nfs/dbraw/zinc/58/81/13/507588113.db2.gz ILSHDDJVNXTKTG-XJKSGUPXSA-N 1 2 352.438 3.462 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000611260315 507588498 /nfs/dbraw/zinc/58/84/98/507588498.db2.gz SECUJALQCGJOAR-OWOJBTEDSA-N 1 2 352.413 3.398 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000595620771 507595476 /nfs/dbraw/zinc/59/54/76/507595476.db2.gz QHTYQWLZKNVGDG-OAHLLOKOSA-N 1 2 354.479 3.450 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000595620771 507595483 /nfs/dbraw/zinc/59/54/83/507595483.db2.gz QHTYQWLZKNVGDG-OAHLLOKOSA-N 1 2 354.479 3.450 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000602129590 507603236 /nfs/dbraw/zinc/60/32/36/507603236.db2.gz QZMKQTMKTZQRAO-NHCUHLMSSA-N 1 2 363.461 3.431 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000602129590 507603238 /nfs/dbraw/zinc/60/32/38/507603238.db2.gz QZMKQTMKTZQRAO-NHCUHLMSSA-N 1 2 363.461 3.431 20 30 FGEDLO CC(C)C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)n1cc[nH+]c1 ZINC000602183607 507619854 /nfs/dbraw/zinc/61/98/54/507619854.db2.gz PAXWLYVUCBRFKH-IBGZPJMESA-N 1 2 366.465 3.164 20 30 FGEDLO C=CCCSCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595723991 507648526 /nfs/dbraw/zinc/64/85/26/507648526.db2.gz IXFHTULHVMRBCJ-INIZCTEOSA-N 1 2 362.543 3.418 20 30 FGEDLO COc1cc2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)[nH]c(=O)c2cc1OC ZINC000611386378 507654663 /nfs/dbraw/zinc/65/46/63/507654663.db2.gz JADFMOWCNBFLKC-LBPRGKRZSA-N 1 2 364.405 3.075 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)CC#N)C1=O ZINC000586651737 507655804 /nfs/dbraw/zinc/65/58/04/507655804.db2.gz DEIFYODFUBLZOK-HIFRSBDPSA-N 1 2 364.287 3.453 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)CCOCC1 ZINC000595758520 507670240 /nfs/dbraw/zinc/67/02/40/507670240.db2.gz BALSEXILTUKALN-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)CCOCC1 ZINC000595758520 507670245 /nfs/dbraw/zinc/67/02/45/507670245.db2.gz BALSEXILTUKALN-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000611410643 507670232 /nfs/dbraw/zinc/67/02/32/507670232.db2.gz QEZYRMNQQAJSQH-UHFFFAOYSA-N 1 2 352.507 3.211 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000611410643 507670237 /nfs/dbraw/zinc/67/02/37/507670237.db2.gz QEZYRMNQQAJSQH-UHFFFAOYSA-N 1 2 352.507 3.211 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000595839387 507708561 /nfs/dbraw/zinc/70/85/61/507708561.db2.gz FMNVUZNHIWCEIU-FYYLOGMGSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000595839387 507708567 /nfs/dbraw/zinc/70/85/67/507708567.db2.gz FMNVUZNHIWCEIU-FYYLOGMGSA-N 1 2 359.473 3.396 20 30 FGEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000588001404 507730084 /nfs/dbraw/zinc/73/00/84/507730084.db2.gz DOJRSVYKVCIQSW-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917445 507744717 /nfs/dbraw/zinc/74/47/17/507744717.db2.gz MLKBLIWNFVYGCV-YJYMSZOUSA-N 1 2 360.408 3.203 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917445 507744724 /nfs/dbraw/zinc/74/47/24/507744724.db2.gz MLKBLIWNFVYGCV-YJYMSZOUSA-N 1 2 360.408 3.203 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCO1 ZINC000330340623 568267077 /nfs/dbraw/zinc/26/70/77/568267077.db2.gz YDTNSSYWDQHTKB-PXAZEXFGSA-N 1 2 370.384 3.038 20 30 FGEDLO C=CCCCN(C)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000735413406 599472084 /nfs/dbraw/zinc/47/20/84/599472084.db2.gz UMCOKZPNUBLHKP-UHFFFAOYSA-N 1 2 360.368 3.419 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824034328 608596445 /nfs/dbraw/zinc/59/64/45/608596445.db2.gz IOLXESORIXVNLJ-HNNXBMFYSA-N 1 2 362.437 3.037 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824034328 608596446 /nfs/dbraw/zinc/59/64/46/608596446.db2.gz IOLXESORIXVNLJ-HNNXBMFYSA-N 1 2 362.437 3.037 20 30 FGEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000015365473 695618419 /nfs/dbraw/zinc/61/84/19/695618419.db2.gz GSCLTQIULNPHAK-LLVKDONJSA-N 1 2 362.227 3.113 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(SC(F)F)cc1 ZINC000081158135 700330093 /nfs/dbraw/zinc/33/00/93/700330093.db2.gz FAAVRDSFXZOIPY-UHFFFAOYSA-N 1 2 355.454 3.049 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000184798202 712676550 /nfs/dbraw/zinc/67/65/50/712676550.db2.gz CTPWGPWIYMGFOX-CQSZACIVSA-N 1 2 355.404 3.436 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000184798202 712676553 /nfs/dbraw/zinc/67/65/53/712676553.db2.gz CTPWGPWIYMGFOX-CQSZACIVSA-N 1 2 355.404 3.436 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000186317134 712715031 /nfs/dbraw/zinc/71/50/31/712715031.db2.gz AYFUHKUGNVLMGY-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000186317134 712715033 /nfs/dbraw/zinc/71/50/33/712715033.db2.gz AYFUHKUGNVLMGY-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H]3CCCOC3)CC2)c(C#N)c1C ZINC000374848727 713947813 /nfs/dbraw/zinc/94/78/13/713947813.db2.gz XTBWZYVQMWABMW-MRXNPFEDSA-N 1 2 361.511 3.314 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CCC1 ZINC000526135080 714409026 /nfs/dbraw/zinc/40/90/26/714409026.db2.gz OPGAJSRHCBQEMJ-HNNXBMFYSA-N 1 2 362.271 3.148 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CCC1 ZINC000526135080 714409028 /nfs/dbraw/zinc/40/90/28/714409028.db2.gz OPGAJSRHCBQEMJ-HNNXBMFYSA-N 1 2 362.271 3.148 20 30 FGEDLO C=CC[C@H]1CC[N@@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1 ZINC000625704087 715776167 /nfs/dbraw/zinc/77/61/67/715776167.db2.gz NPQWKQLRXJQJIB-AWEZNQCLSA-N 1 2 360.458 3.005 20 30 FGEDLO C=CC[C@H]1CC[N@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1 ZINC000625704087 715776170 /nfs/dbraw/zinc/77/61/70/715776170.db2.gz NPQWKQLRXJQJIB-AWEZNQCLSA-N 1 2 360.458 3.005 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000779785756 724426815 /nfs/dbraw/zinc/42/68/15/724426815.db2.gz OMXNQVDARKOXBG-MRVPVSSYSA-N 1 2 354.266 3.388 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000779805882 724428195 /nfs/dbraw/zinc/42/81/95/724428195.db2.gz VAENKNFDPRYEHF-JTQLQIEISA-N 1 2 359.886 3.441 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1OC ZINC000628256330 716130758 /nfs/dbraw/zinc/13/07/58/716130758.db2.gz RVRADYCMQCLIRA-AUUYWEPGSA-N 1 2 367.873 3.293 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1OC ZINC000628256330 716130759 /nfs/dbraw/zinc/13/07/59/716130759.db2.gz RVRADYCMQCLIRA-AUUYWEPGSA-N 1 2 367.873 3.293 20 30 FGEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000799113010 723988825 /nfs/dbraw/zinc/98/88/25/723988825.db2.gz DNLQUBQTVWCJPS-UHFFFAOYSA-N 1 2 362.773 3.453 20 30 FGEDLO Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)cc1C#N ZINC000461727525 721961833 /nfs/dbraw/zinc/96/18/33/721961833.db2.gz FMUMNCKRVRASDB-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO Cc1[nH+]c(CN=Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccn12 ZINC000726424811 722433958 /nfs/dbraw/zinc/43/39/58/722433958.db2.gz LBGCSTNBARKJPQ-UHFFFAOYSA-N 1 2 364.377 3.085 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1 ZINC000733305949 722495298 /nfs/dbraw/zinc/49/52/98/722495298.db2.gz CYLVIVBBRSMSHP-LBPRGKRZSA-N 1 2 359.451 3.081 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCc2ccccc21 ZINC000736307855 722522639 /nfs/dbraw/zinc/52/26/39/722522639.db2.gz APPHZPXGMXKPMY-QGZVFWFLSA-N 1 2 351.475 3.193 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCc2ccccc21 ZINC000736307855 722522640 /nfs/dbraw/zinc/52/26/40/722522640.db2.gz APPHZPXGMXKPMY-QGZVFWFLSA-N 1 2 351.475 3.193 20 30 FGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740765531 722537519 /nfs/dbraw/zinc/53/75/19/722537519.db2.gz FEHFWGYNVKSPRT-TWGQIWQCSA-N 1 2 362.357 3.227 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000747669718 722655605 /nfs/dbraw/zinc/65/56/05/722655605.db2.gz PBCNUIKMPOLXBL-LLVKDONJSA-N 1 2 367.236 3.122 20 30 FGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000752726889 722868522 /nfs/dbraw/zinc/86/85/22/722868522.db2.gz HCSLMHGTHABPHT-UHFFFAOYSA-N 1 2 353.394 3.328 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000754187642 722930970 /nfs/dbraw/zinc/93/09/70/722930970.db2.gz RYJPJVISZCQYCP-SFHVURJKSA-N 1 2 351.475 3.410 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000754187642 722930972 /nfs/dbraw/zinc/93/09/72/722930972.db2.gz RYJPJVISZCQYCP-SFHVURJKSA-N 1 2 351.475 3.410 20 30 FGEDLO CC[N@H+](CCNC(=O)C(F)(F)c1c(F)cccc1F)CCC(F)(F)F ZINC000757616612 722977591 /nfs/dbraw/zinc/97/75/91/722977591.db2.gz YIJMBQCCCPPBIF-UHFFFAOYSA-N 1 2 374.300 3.447 20 30 FGEDLO CC[N@@H+](CCNC(=O)C(F)(F)c1c(F)cccc1F)CCC(F)(F)F ZINC000757616612 722977592 /nfs/dbraw/zinc/97/75/92/722977592.db2.gz YIJMBQCCCPPBIF-UHFFFAOYSA-N 1 2 374.300 3.447 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000757702485 722978563 /nfs/dbraw/zinc/97/85/63/722978563.db2.gz CVUFQCXMKUGGKQ-QGZVFWFLSA-N 1 2 351.516 3.364 20 30 FGEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c(=O)c1C#N ZINC000758204475 722986077 /nfs/dbraw/zinc/98/60/77/722986077.db2.gz JWMCFWKOUGTROY-MRXNPFEDSA-N 1 2 357.841 3.183 20 30 FGEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c(=O)c1C#N ZINC000758204475 722986078 /nfs/dbraw/zinc/98/60/78/722986078.db2.gz JWMCFWKOUGTROY-MRXNPFEDSA-N 1 2 357.841 3.183 20 30 FGEDLO Cc1cc([C@@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)ccc1F ZINC000759778261 723020509 /nfs/dbraw/zinc/02/05/09/723020509.db2.gz RJOFLXZWYABWTJ-LJQANCHMSA-N 1 2 359.832 3.496 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000761046553 723116279 /nfs/dbraw/zinc/11/62/79/723116279.db2.gz SVRANNOLOIRERF-LBPRGKRZSA-N 1 2 359.779 3.471 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000761046553 723116280 /nfs/dbraw/zinc/11/62/80/723116280.db2.gz SVRANNOLOIRERF-LBPRGKRZSA-N 1 2 359.779 3.471 20 30 FGEDLO NC(=[NH+]OCC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000792732774 723362539 /nfs/dbraw/zinc/36/25/39/723362539.db2.gz HPTKOMCYTSHDSH-UHFFFAOYSA-N 1 2 369.259 3.019 20 30 FGEDLO C[N@H+](CC(=O)NCCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792942573 723384765 /nfs/dbraw/zinc/38/47/65/723384765.db2.gz ORYMRKRONWJLNG-UHFFFAOYSA-N 1 2 367.293 3.186 20 30 FGEDLO C[N@@H+](CC(=O)NCCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792942573 723384768 /nfs/dbraw/zinc/38/47/68/723384768.db2.gz ORYMRKRONWJLNG-UHFFFAOYSA-N 1 2 367.293 3.186 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3nc(Cl)c4ccccc43)C2)nc1 ZINC000793589449 723452005 /nfs/dbraw/zinc/45/20/05/723452005.db2.gz HFAYYSJMQCQHHT-CQSZACIVSA-N 1 2 353.813 3.067 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3nc(Cl)c4ccccc43)C2)nc1 ZINC000793589449 723452007 /nfs/dbraw/zinc/45/20/07/723452007.db2.gz HFAYYSJMQCQHHT-CQSZACIVSA-N 1 2 353.813 3.067 20 30 FGEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796174595 723624930 /nfs/dbraw/zinc/62/49/30/723624930.db2.gz YWNWJDVLLLEJIX-MRXNPFEDSA-N 1 2 365.861 3.343 20 30 FGEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796174595 723624932 /nfs/dbraw/zinc/62/49/32/723624932.db2.gz YWNWJDVLLLEJIX-MRXNPFEDSA-N 1 2 365.861 3.343 20 30 FGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000769962793 723702027 /nfs/dbraw/zinc/70/20/27/723702027.db2.gz KURDGIJPYXPVSR-ZFWWWQNUSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000769962793 723702029 /nfs/dbraw/zinc/70/20/29/723702029.db2.gz KURDGIJPYXPVSR-ZFWWWQNUSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCCO1 ZINC000775791060 724061627 /nfs/dbraw/zinc/06/16/27/724061627.db2.gz RWSJZSBNMIDLOD-CVEARBPZSA-N 1 2 358.463 3.098 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)[C@H]1CCCO1 ZINC000775791019 724061697 /nfs/dbraw/zinc/06/16/97/724061697.db2.gz KPYTWFFPXRXFNI-DLBZAZTESA-N 1 2 358.463 3.098 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776262096 724125302 /nfs/dbraw/zinc/12/53/02/724125302.db2.gz ZADWWLUWCIKPGA-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776262096 724125307 /nfs/dbraw/zinc/12/53/07/724125307.db2.gz ZADWWLUWCIKPGA-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccccc2OC(F)(F)F)cc1 ZINC000777452274 724227852 /nfs/dbraw/zinc/22/78/52/724227852.db2.gz DHORSPSGRHGVGC-UHFFFAOYSA-N 1 2 353.344 3.460 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](OCCOC)C2)c1=S ZINC000800850634 724237431 /nfs/dbraw/zinc/23/74/31/724237431.db2.gz RKQOGUGFSUSZSX-INIZCTEOSA-N 1 2 361.511 3.443 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](OCCOC)C2)c1=S ZINC000800850634 724237432 /nfs/dbraw/zinc/23/74/32/724237432.db2.gz RKQOGUGFSUSZSX-INIZCTEOSA-N 1 2 361.511 3.443 20 30 FGEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830013 725099469 /nfs/dbraw/zinc/09/94/69/725099469.db2.gz VERGJPOTXFHVDI-HOCLYGCPSA-N 1 2 356.388 3.455 20 30 FGEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830013 725099472 /nfs/dbraw/zinc/09/94/72/725099472.db2.gz VERGJPOTXFHVDI-HOCLYGCPSA-N 1 2 356.388 3.455 20 30 FGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000809620409 725252832 /nfs/dbraw/zinc/25/28/32/725252832.db2.gz HXZCXCPEHJXNBJ-CQSZACIVSA-N 1 2 359.451 3.159 20 30 FGEDLO CC(C)[C@@H](CC[N@H+](C)Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000811468121 725367734 /nfs/dbraw/zinc/36/77/34/725367734.db2.gz ZWNBRUGVIXAHGE-CQSZACIVSA-N 1 2 352.504 3.386 20 30 FGEDLO CC(C)[C@@H](CC[N@@H+](C)Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000811468121 725367735 /nfs/dbraw/zinc/36/77/35/725367735.db2.gz ZWNBRUGVIXAHGE-CQSZACIVSA-N 1 2 352.504 3.386 20 30 FGEDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000811645636 725375673 /nfs/dbraw/zinc/37/56/73/725375673.db2.gz UMSDIGYMAICQNM-VXGBXAGGSA-N 1 2 356.213 3.096 20 30 FGEDLO C(=NNC[C@H]1CCSC1)c1ccc(C=[NH+]NC[C@@H]2CCSC2)cc1 ZINC000811657817 725375893 /nfs/dbraw/zinc/37/58/93/725375893.db2.gz AQJYVHFYZRHUOP-HDICACEKSA-N 1 2 362.568 3.040 20 30 FGEDLO C(=NNC[C@@H]1CCSC1)c1ccc(C=[NH+]NC[C@H]2CCSC2)cc1 ZINC000811657817 725375894 /nfs/dbraw/zinc/37/58/94/725375894.db2.gz AQJYVHFYZRHUOP-HDICACEKSA-N 1 2 362.568 3.040 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000812000633 725387020 /nfs/dbraw/zinc/38/70/20/725387020.db2.gz CCQVYNZVMUKGFN-CJNGLKHVSA-N 1 2 351.853 3.279 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000814302523 726955094 /nfs/dbraw/zinc/95/50/94/726955094.db2.gz WOFYHSALTSZOGD-RYUDHWBXSA-N 1 2 361.243 3.381 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C#N)cc(N(C)C)c2)n1 ZINC000814613999 726987258 /nfs/dbraw/zinc/98/72/58/726987258.db2.gz YKBXPDRJTTVZMC-UHFFFAOYSA-N 1 2 357.483 3.175 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820265574 728979121 /nfs/dbraw/zinc/97/91/21/728979121.db2.gz JGHOLVXUWBYSOY-CQSZACIVSA-N 1 2 355.291 3.166 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000820737700 729023260 /nfs/dbraw/zinc/02/32/60/729023260.db2.gz JHWDPGMNPMPYLJ-RHSMWYFYSA-N 1 2 360.820 3.397 20 30 FGEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000824615152 729351060 /nfs/dbraw/zinc/35/10/60/729351060.db2.gz BFCGJXYYVMYPAV-AWEZNQCLSA-N 1 2 355.360 3.240 20 30 FGEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000824615152 729351061 /nfs/dbraw/zinc/35/10/61/729351061.db2.gz BFCGJXYYVMYPAV-AWEZNQCLSA-N 1 2 355.360 3.240 20 30 FGEDLO COC(=O)C1(C#N)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000828964666 729450458 /nfs/dbraw/zinc/45/04/58/729450458.db2.gz CCPANTSJJNFIGU-UHFFFAOYSA-N 1 2 374.238 3.280 20 30 FGEDLO C#Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000836222057 729948348 /nfs/dbraw/zinc/94/83/48/729948348.db2.gz UURIZPCCFFHQBM-UHFFFAOYSA-N 1 2 354.479 3.432 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1 ZINC000845361338 730839343 /nfs/dbraw/zinc/83/93/43/730839343.db2.gz KYHJOCYBJJOCAM-UHFFFAOYSA-N 1 2 357.454 3.039 20 30 FGEDLO C=CCCn1cc(C[N@@H+](CC)Cc2cc(Br)ccc2O)nn1 ZINC000846806051 730982189 /nfs/dbraw/zinc/98/21/89/730982189.db2.gz CQHDDZYQJUUCDP-UHFFFAOYSA-N 1 2 365.275 3.344 20 30 FGEDLO C=CCCn1cc(C[N@H+](CC)Cc2cc(Br)ccc2O)nn1 ZINC000846806051 730982192 /nfs/dbraw/zinc/98/21/92/730982192.db2.gz CQHDDZYQJUUCDP-UHFFFAOYSA-N 1 2 365.275 3.344 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000847029789 731009271 /nfs/dbraw/zinc/00/92/71/731009271.db2.gz LNQTWHURPMBQEO-INIZCTEOSA-N 1 2 353.491 3.478 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000847029789 731009274 /nfs/dbraw/zinc/00/92/74/731009274.db2.gz LNQTWHURPMBQEO-INIZCTEOSA-N 1 2 353.491 3.478 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000865849848 733281409 /nfs/dbraw/zinc/28/14/09/733281409.db2.gz RXENPHYBVYKTMF-JTQLQIEISA-N 1 2 352.257 3.486 20 30 FGEDLO OC[C@@H]1C[N@H+](Cc2cccc(F)c2OC(F)(F)F)C[C@H]1C(F)(F)F ZINC000877693582 736706170 /nfs/dbraw/zinc/70/61/70/736706170.db2.gz KYMBGIOEYJQEDW-VHSXEESVSA-N 1 2 361.257 3.327 20 30 FGEDLO OC[C@@H]1C[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C[C@H]1C(F)(F)F ZINC000877693582 736706174 /nfs/dbraw/zinc/70/61/74/736706174.db2.gz KYMBGIOEYJQEDW-VHSXEESVSA-N 1 2 361.257 3.327 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881147332 737295204 /nfs/dbraw/zinc/29/52/04/737295204.db2.gz LGGJEKGCZLJRDJ-AWEZNQCLSA-N 1 2 355.467 3.120 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cccc(Br)c3F)CC2)C1 ZINC000897599202 742694187 /nfs/dbraw/zinc/69/41/87/742694187.db2.gz FKFRVWXRPWHCJT-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO CSCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nnc2ccccn21 ZINC000902729793 743771497 /nfs/dbraw/zinc/77/14/97/743771497.db2.gz NWTXLOIDAWWPLL-DZGCQCFKSA-N 1 2 352.467 3.141 20 30 FGEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000907038125 744180667 /nfs/dbraw/zinc/18/06/67/744180667.db2.gz DVGIPCBHFBKBQG-LBPRGKRZSA-N 1 2 372.475 3.064 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](Cc2cc(C)sc2C)C1 ZINC000950350660 762426519 /nfs/dbraw/zinc/42/65/19/762426519.db2.gz YXFQREXJSLNRHD-MOPGFXCFSA-N 1 2 362.539 3.379 20 30 FGEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933775289 761470898 /nfs/dbraw/zinc/47/08/98/761470898.db2.gz NPQUZPLGMWAMRH-UHFFFAOYSA-N 1 2 357.479 3.155 20 30 FGEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933775289 761470901 /nfs/dbraw/zinc/47/09/01/761470901.db2.gz NPQUZPLGMWAMRH-UHFFFAOYSA-N 1 2 357.479 3.155 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000969861289 762863080 /nfs/dbraw/zinc/86/30/80/762863080.db2.gz JEZRDKDOWHIIEY-LZQZEXGQSA-N 1 2 362.901 3.343 20 30 FGEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974829611 763061074 /nfs/dbraw/zinc/06/10/74/763061074.db2.gz YKOLDLNEJVSRDS-SOUVJXGZSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974829611 763061078 /nfs/dbraw/zinc/06/10/78/763061078.db2.gz YKOLDLNEJVSRDS-SOUVJXGZSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C(C)(C)C1 ZINC000977283043 763352161 /nfs/dbraw/zinc/35/21/61/763352161.db2.gz DLVJSNQSZJIZDD-KSZLIROESA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C(C)(C)C1 ZINC000977283043 763352167 /nfs/dbraw/zinc/35/21/67/763352167.db2.gz DLVJSNQSZJIZDD-KSZLIROESA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000981361577 763483887 /nfs/dbraw/zinc/48/38/87/763483887.db2.gz SXMWQKUEPWRIHL-MOPGFXCFSA-N 1 2 362.901 3.441 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000981361577 763483891 /nfs/dbraw/zinc/48/38/91/763483891.db2.gz SXMWQKUEPWRIHL-MOPGFXCFSA-N 1 2 362.901 3.441 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000981998772 763546017 /nfs/dbraw/zinc/54/60/17/763546017.db2.gz ULOGFEMNFYNGJV-HUUCEWRRSA-N 1 2 355.320 3.256 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000981998772 763546030 /nfs/dbraw/zinc/54/60/30/763546030.db2.gz ULOGFEMNFYNGJV-HUUCEWRRSA-N 1 2 355.320 3.256 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001000705230 765235346 /nfs/dbraw/zinc/23/53/46/765235346.db2.gz MBKWBBWKPRUVMA-HYVNUMGLSA-N 1 2 365.315 3.246 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001000705230 765235354 /nfs/dbraw/zinc/23/53/54/765235354.db2.gz MBKWBBWKPRUVMA-HYVNUMGLSA-N 1 2 365.315 3.246 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001001252443 765277424 /nfs/dbraw/zinc/27/74/24/765277424.db2.gz KRPWUEBLILYLGO-JKSUJKDBSA-N 1 2 353.304 3.080 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001001252443 765277429 /nfs/dbraw/zinc/27/74/29/765277429.db2.gz KRPWUEBLILYLGO-JKSUJKDBSA-N 1 2 353.304 3.080 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001008031939 765636407 /nfs/dbraw/zinc/63/64/07/765636407.db2.gz MXQVHKJOLGKABX-VNQPRFMTSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001008031939 765636411 /nfs/dbraw/zinc/63/64/11/765636411.db2.gz MXQVHKJOLGKABX-VNQPRFMTSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033984692 766231721 /nfs/dbraw/zinc/23/17/21/766231721.db2.gz YBAKDMSBDNMIFE-RYQLBKOJSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033984692 766231723 /nfs/dbraw/zinc/23/17/23/766231723.db2.gz YBAKDMSBDNMIFE-RYQLBKOJSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777770 766809089 /nfs/dbraw/zinc/80/90/89/766809089.db2.gz RWCYZZZLCQZKQK-XUWVNRHRSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777770 766809101 /nfs/dbraw/zinc/80/91/01/766809101.db2.gz RWCYZZZLCQZKQK-XUWVNRHRSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780560 766810521 /nfs/dbraw/zinc/81/05/21/766810521.db2.gz IFIWOYMNQQCDQK-HZMVEIRTSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780560 766810531 /nfs/dbraw/zinc/81/05/31/766810531.db2.gz IFIWOYMNQQCDQK-HZMVEIRTSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780562 766811469 /nfs/dbraw/zinc/81/14/69/766811469.db2.gz IFIWOYMNQQCDQK-VVLHAWIVSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780562 766811479 /nfs/dbraw/zinc/81/14/79/766811479.db2.gz IFIWOYMNQQCDQK-VVLHAWIVSA-N 1 2 367.331 3.397 20 30 FGEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001054045546 766996843 /nfs/dbraw/zinc/99/68/43/766996843.db2.gz UJDYXTJBNXSHNT-HSALFYBXSA-N 1 2 350.487 3.028 20 30 FGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001054045546 766996844 /nfs/dbraw/zinc/99/68/44/766996844.db2.gz UJDYXTJBNXSHNT-HSALFYBXSA-N 1 2 350.487 3.028 20 30 FGEDLO C[C@H](c1nccs1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000567915553 505574429 /nfs/dbraw/zinc/57/44/29/505574429.db2.gz WODQLVSBRVWSGL-OAHLLOKOSA-N 1 2 364.478 3.084 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000573621804 505580524 /nfs/dbraw/zinc/58/05/24/505580524.db2.gz MOSZKYFVJWERIO-CQSZACIVSA-N 1 2 358.467 3.348 20 30 FGEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989427 505591033 /nfs/dbraw/zinc/59/10/33/505591033.db2.gz FZQSWPDAUGOEJZ-YMXBGEKHSA-N 1 2 357.435 3.397 20 30 FGEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989427 505591037 /nfs/dbraw/zinc/59/10/37/505591037.db2.gz FZQSWPDAUGOEJZ-YMXBGEKHSA-N 1 2 357.435 3.397 20 30 FGEDLO N#Cc1cc2c(nc1N[C@H]1CCC[C@H](c3[nH]c4ccccc4[nH+]3)C1)CCOC2 ZINC000577058299 505654535 /nfs/dbraw/zinc/65/45/35/505654535.db2.gz GVQJLDDZISLZCN-YOEHRIQHSA-N 1 2 373.460 3.462 20 30 FGEDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1C ZINC000057480033 493766069 /nfs/dbraw/zinc/76/60/69/493766069.db2.gz IMVFHOXPLXIVGZ-UHFFFAOYSA-N 1 2 368.525 3.110 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028176066 493778366 /nfs/dbraw/zinc/77/83/66/493778366.db2.gz CANAACAQADOPGU-HNNXBMFYSA-N 1 2 369.490 3.450 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000028176066 493778370 /nfs/dbraw/zinc/77/83/70/493778370.db2.gz CANAACAQADOPGU-HNNXBMFYSA-N 1 2 369.490 3.450 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147937 493792759 /nfs/dbraw/zinc/79/27/59/493792759.db2.gz WAKKGCNHVXVOGA-UHFFFAOYSA-N 1 2 364.449 3.054 20 30 FGEDLO N#Cc1cc(F)ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000080970574 493805308 /nfs/dbraw/zinc/80/53/08/493805308.db2.gz SJHUWUBITMAIFS-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)CC1 ZINC000057908013 493814275 /nfs/dbraw/zinc/81/42/75/493814275.db2.gz SSXKXOJFRGZFMY-INIZCTEOSA-N 1 2 368.462 3.254 20 30 FGEDLO O=C(CCn1cc[nH+]c1)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000076205054 493845194 /nfs/dbraw/zinc/84/51/94/493845194.db2.gz HEYFDPFLCWTYLM-UHFFFAOYSA-N 1 2 361.203 3.109 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000003585773 493854538 /nfs/dbraw/zinc/85/45/38/493854538.db2.gz RPBREVHRJRSURN-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000003585773 493854542 /nfs/dbraw/zinc/85/45/42/493854542.db2.gz RPBREVHRJRSURN-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO C=CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000030229550 493880858 /nfs/dbraw/zinc/88/08/58/493880858.db2.gz ZYFZHEBVRSFOFS-HXUWFJFHSA-N 1 2 366.461 3.055 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231512 493906082 /nfs/dbraw/zinc/90/60/82/493906082.db2.gz KQISQSFLWGYCLW-QGZVFWFLSA-N 1 2 373.453 3.379 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231512 493906086 /nfs/dbraw/zinc/90/60/86/493906086.db2.gz KQISQSFLWGYCLW-QGZVFWFLSA-N 1 2 373.453 3.379 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512575 493906236 /nfs/dbraw/zinc/90/62/36/493906236.db2.gz QQRDGKDXTWILST-UHFFFAOYSA-N 1 2 367.474 3.116 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512575 493906241 /nfs/dbraw/zinc/90/62/41/493906241.db2.gz QQRDGKDXTWILST-UHFFFAOYSA-N 1 2 367.474 3.116 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCC#Cc3ccccc3)c[nH+]2)CC1 ZINC000061660850 493989380 /nfs/dbraw/zinc/98/93/80/493989380.db2.gz OFEZHUOPMUERIU-UHFFFAOYSA-N 1 2 362.477 3.169 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000083170872 494002512 /nfs/dbraw/zinc/00/25/12/494002512.db2.gz CGQSNHAUUSSOHR-NVXWUHKLSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000083170872 494002517 /nfs/dbraw/zinc/00/25/17/494002517.db2.gz CGQSNHAUUSSOHR-NVXWUHKLSA-N 1 2 355.438 3.354 20 30 FGEDLO C=CCn1c(Sc2cc(-n3cc[nH+]c3)ncn2)nnc1-c1ccccc1 ZINC000077188188 494029006 /nfs/dbraw/zinc/02/90/06/494029006.db2.gz QICSLGJSQVINIY-UHFFFAOYSA-N 1 2 361.434 3.258 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000077250344 494043373 /nfs/dbraw/zinc/04/33/73/494043373.db2.gz VKAPKGKYESHXAR-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000077250344 494043374 /nfs/dbraw/zinc/04/33/74/494043374.db2.gz VKAPKGKYESHXAR-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000568452608 505696902 /nfs/dbraw/zinc/69/69/02/505696902.db2.gz GXLLERAYXNRHCK-UHFFFAOYSA-N 1 2 353.332 3.344 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053154094 494099157 /nfs/dbraw/zinc/09/91/57/494099157.db2.gz VDDMWYRWURFESS-CQSZACIVSA-N 1 2 372.494 3.227 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053154094 494099160 /nfs/dbraw/zinc/09/91/60/494099160.db2.gz VDDMWYRWURFESS-CQSZACIVSA-N 1 2 372.494 3.227 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000064633404 494138934 /nfs/dbraw/zinc/13/89/34/494138934.db2.gz ZBZMWBVCRQUQBP-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cc(-c3cccs3)on2)CC1 ZINC000064633404 494138937 /nfs/dbraw/zinc/13/89/37/494138937.db2.gz ZBZMWBVCRQUQBP-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011685573 494186013 /nfs/dbraw/zinc/18/60/13/494186013.db2.gz CGUOHCSNZVYROG-SECBINFHSA-N 1 2 372.841 3.008 20 30 FGEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000042133518 494203649 /nfs/dbraw/zinc/20/36/49/494203649.db2.gz LGHYKBHIWCLIID-UHFFFAOYSA-N 1 2 366.440 3.075 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000054537670 494244307 /nfs/dbraw/zinc/24/43/07/494244307.db2.gz NBZHRKACXLGJLM-UHFFFAOYSA-N 1 2 368.437 3.288 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(C#N)c1C ZINC000072760843 494245722 /nfs/dbraw/zinc/24/57/22/494245722.db2.gz XUCHWBHYJKWJTB-SFHVURJKSA-N 1 2 367.449 3.245 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c(C#N)c1C ZINC000072760843 494245725 /nfs/dbraw/zinc/24/57/25/494245725.db2.gz XUCHWBHYJKWJTB-SFHVURJKSA-N 1 2 367.449 3.245 20 30 FGEDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000088601166 494252331 /nfs/dbraw/zinc/25/23/31/494252331.db2.gz JLWZRKYNVKQHKN-UHFFFAOYSA-N 1 2 361.511 3.186 20 30 FGEDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000088601166 494252334 /nfs/dbraw/zinc/25/23/34/494252334.db2.gz JLWZRKYNVKQHKN-UHFFFAOYSA-N 1 2 361.511 3.186 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1Br ZINC000042978926 494255069 /nfs/dbraw/zinc/25/50/69/494255069.db2.gz MKSWZZYEVWPAFL-GUYCJALGSA-N 1 2 366.303 3.324 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000042978926 494255071 /nfs/dbraw/zinc/25/50/71/494255071.db2.gz MKSWZZYEVWPAFL-GUYCJALGSA-N 1 2 366.303 3.324 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000078616036 494330887 /nfs/dbraw/zinc/33/08/87/494330887.db2.gz JTAXPTAYSNCTAU-RXVVDRJESA-N 1 2 362.477 3.205 20 30 FGEDLO C=CCN1C(=O)c2ccccc2NC12CC[NH+](Cc1cscn1)CC2 ZINC000078752517 494355316 /nfs/dbraw/zinc/35/53/16/494355316.db2.gz DQFVUOMUGGOQAD-UHFFFAOYSA-N 1 2 354.479 3.189 20 30 FGEDLO C[C@H](C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000066854112 494427720 /nfs/dbraw/zinc/42/77/20/494427720.db2.gz LADQTXRFJQVAAP-QAPCUYQASA-N 1 2 374.444 3.247 20 30 FGEDLO C[C@H](C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000066854112 494427723 /nfs/dbraw/zinc/42/77/23/494427723.db2.gz LADQTXRFJQVAAP-QAPCUYQASA-N 1 2 374.444 3.247 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000018232807 494429909 /nfs/dbraw/zinc/42/99/09/494429909.db2.gz VVGRSXARNKSOHK-KRWDZBQOSA-N 1 2 351.450 3.358 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000018232807 494429912 /nfs/dbraw/zinc/42/99/12/494429912.db2.gz VVGRSXARNKSOHK-KRWDZBQOSA-N 1 2 351.450 3.358 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cn2ccccc12 ZINC000066869112 494430056 /nfs/dbraw/zinc/43/00/56/494430056.db2.gz UDBFCLJAGWYDGQ-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921287 494586659 /nfs/dbraw/zinc/58/66/59/494586659.db2.gz SAZWZVSNUILEKQ-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944082 494592023 /nfs/dbraw/zinc/59/20/23/494592023.db2.gz BWEPWFOHTHZELM-UHFFFAOYSA-N 1 2 351.454 3.377 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645853 494593721 /nfs/dbraw/zinc/59/37/21/494593721.db2.gz VBAUBQFLJHBGQV-UHFFFAOYSA-N 1 2 363.396 3.225 20 30 FGEDLO Cc1cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000067728362 494625312 /nfs/dbraw/zinc/62/53/12/494625312.db2.gz VGLQIVKOYVIKNT-INIZCTEOSA-N 1 2 366.465 3.357 20 30 FGEDLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000074917974 494647619 /nfs/dbraw/zinc/64/76/19/494647619.db2.gz HCSVCGSXPAFZBD-GFCCVEGCSA-N 1 2 365.359 3.220 20 30 FGEDLO N#Cc1ccccc1CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000025253820 494713866 /nfs/dbraw/zinc/71/38/66/494713866.db2.gz GSXDYUHWFFQMFF-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025410564 494736775 /nfs/dbraw/zinc/73/67/75/494736775.db2.gz XZTIWEZOOVUFLQ-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025410564 494736784 /nfs/dbraw/zinc/73/67/84/494736784.db2.gz XZTIWEZOOVUFLQ-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO N#CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092936063 494790302 /nfs/dbraw/zinc/79/03/02/494790302.db2.gz ZBXWTZLNFQXWBT-UHFFFAOYSA-N 1 2 360.801 3.149 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000075588135 494800364 /nfs/dbraw/zinc/80/03/64/494800364.db2.gz QUKFBVPRPZPFDN-UHFFFAOYSA-N 1 2 361.489 3.244 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000075588135 494800366 /nfs/dbraw/zinc/80/03/66/494800366.db2.gz QUKFBVPRPZPFDN-UHFFFAOYSA-N 1 2 361.489 3.244 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccccc4Cl)C3)n2c1 ZINC000093080870 494823792 /nfs/dbraw/zinc/82/37/92/494823792.db2.gz XZWUJLYLNYGBLC-SFHVURJKSA-N 1 2 352.825 3.433 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000126734594 494828513 /nfs/dbraw/zinc/82/85/13/494828513.db2.gz WOJJOORKDIQQOV-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000126734594 494828517 /nfs/dbraw/zinc/82/85/17/494828517.db2.gz WOJJOORKDIQQOV-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C=CCOc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643780 494830299 /nfs/dbraw/zinc/83/02/99/494830299.db2.gz UJFDDHISOLWJBR-UHFFFAOYSA-N 1 2 352.434 3.336 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1OC(F)F ZINC000126935509 494864975 /nfs/dbraw/zinc/86/49/75/494864975.db2.gz BHJAQWXIUXKQRJ-UHFFFAOYSA-N 1 2 373.403 3.490 20 30 FGEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000116973261 494878736 /nfs/dbraw/zinc/87/87/36/494878736.db2.gz SPMAWWRCQHYVCP-OAHLLOKOSA-N 1 2 351.878 3.011 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1Cl ZINC000093663344 494909397 /nfs/dbraw/zinc/90/93/97/494909397.db2.gz OGMVGEFINKEOFV-UHFFFAOYSA-N 1 2 364.902 3.387 20 30 FGEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093772918 494920167 /nfs/dbraw/zinc/92/01/67/494920167.db2.gz UCWHHMGJMSBRTQ-INIZCTEOSA-N 1 2 354.454 3.236 20 30 FGEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093772918 494920170 /nfs/dbraw/zinc/92/01/70/494920170.db2.gz UCWHHMGJMSBRTQ-INIZCTEOSA-N 1 2 354.454 3.236 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc(OC)c1O ZINC000093882910 494930692 /nfs/dbraw/zinc/93/06/92/494930692.db2.gz CAYNDEGDDYVLFU-ZDUSSCGKSA-N 1 2 358.404 3.198 20 30 FGEDLO C=CC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000122436944 494974745 /nfs/dbraw/zinc/97/47/45/494974745.db2.gz GUEBFBPSIBNFBJ-UHFFFAOYSA-N 1 2 374.466 3.076 20 30 FGEDLO C=CC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000122436944 494974748 /nfs/dbraw/zinc/97/47/48/494974748.db2.gz GUEBFBPSIBNFBJ-UHFFFAOYSA-N 1 2 374.466 3.076 20 30 FGEDLO C=CC1CC[NH+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC1 ZINC000111257516 495055172 /nfs/dbraw/zinc/05/51/72/495055172.db2.gz ULWLEHPSVRNJOT-UHFFFAOYSA-N 1 2 360.458 3.005 20 30 FGEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133759583 495058424 /nfs/dbraw/zinc/05/84/24/495058424.db2.gz SCHACNGGDFFGFZ-IBGZPJMESA-N 1 2 356.857 3.176 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000111288655 495059301 /nfs/dbraw/zinc/05/93/01/495059301.db2.gz JSYVFONEWCPOSZ-CABCVRRESA-N 1 2 361.511 3.112 20 30 FGEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554958 495076513 /nfs/dbraw/zinc/07/65/13/495076513.db2.gz GYGYNRIUMPANHU-UHFFFAOYSA-N 1 2 362.477 3.190 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000128348084 495083603 /nfs/dbraw/zinc/08/36/03/495083603.db2.gz HOQPQAWDFSCNLF-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000128348084 495083605 /nfs/dbraw/zinc/08/36/05/495083605.db2.gz HOQPQAWDFSCNLF-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO C[N@H+](CCc1ccccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000123414675 495128841 /nfs/dbraw/zinc/12/88/41/495128841.db2.gz HKRZJGXNUQIGGU-UHFFFAOYSA-N 1 2 368.506 3.397 20 30 FGEDLO C[N@@H+](CCc1ccccn1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000123414675 495128842 /nfs/dbraw/zinc/12/88/42/495128842.db2.gz HKRZJGXNUQIGGU-UHFFFAOYSA-N 1 2 368.506 3.397 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000119462168 495171697 /nfs/dbraw/zinc/17/16/97/495171697.db2.gz JWLBPKHLLAEECO-ZUOKHONESA-N 1 2 367.424 3.363 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)s1 ZINC000119534357 495185294 /nfs/dbraw/zinc/18/52/94/495185294.db2.gz VWZBSZPSZDQAAV-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000129315157 495227593 /nfs/dbraw/zinc/22/75/93/495227593.db2.gz JXZLKHBBFVAGDH-INIZCTEOSA-N 1 2 369.490 3.098 20 30 FGEDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000119818269 495248308 /nfs/dbraw/zinc/24/83/08/495248308.db2.gz WRXTYPHDIVCZFC-FNORWQNLSA-N 1 2 368.389 3.029 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c(F)cc(C#N)cc1F ZINC000120051105 495296958 /nfs/dbraw/zinc/29/69/58/495296958.db2.gz SXTTUXLIQVGHQQ-UHFFFAOYSA-N 1 2 354.360 3.315 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000130046373 495333219 /nfs/dbraw/zinc/33/32/19/495333219.db2.gz QJVGCRNVJZEJBQ-UHFFFAOYSA-N 1 2 370.359 3.407 20 30 FGEDLO CCCCCc1nnc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000136479199 495381891 /nfs/dbraw/zinc/38/18/91/495381891.db2.gz TWIQYQDKVFSNEE-UHFFFAOYSA-N 1 2 357.483 3.213 20 30 FGEDLO CCCCCc1nnc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000136479199 495381894 /nfs/dbraw/zinc/38/18/94/495381894.db2.gz TWIQYQDKVFSNEE-UHFFFAOYSA-N 1 2 357.483 3.213 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000120562522 495405853 /nfs/dbraw/zinc/40/58/53/495405853.db2.gz CCPIYNPWWADGRN-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)c3ccccc3F)cn2c1 ZINC000114686306 495409219 /nfs/dbraw/zinc/40/92/19/495409219.db2.gz WEJZJJRLAULQML-KRWDZBQOSA-N 1 2 368.437 3.396 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C#N)c1C ZINC000106370197 495449516 /nfs/dbraw/zinc/44/95/16/495449516.db2.gz MQBLDIMNRYLQQP-CYBMUJFWSA-N 1 2 369.469 3.010 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000139993401 495486990 /nfs/dbraw/zinc/48/69/90/495486990.db2.gz YAHXMOGJIVIYRQ-KRWDZBQOSA-N 1 2 368.481 3.149 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1C#N ZINC000568825506 505785535 /nfs/dbraw/zinc/78/55/35/505785535.db2.gz NMVXSANDNJHPIM-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)c1C#N ZINC000568825506 505785537 /nfs/dbraw/zinc/78/55/37/505785537.db2.gz NMVXSANDNJHPIM-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125797565 495500736 /nfs/dbraw/zinc/50/07/36/495500736.db2.gz RZMKMBYZWGSACS-XLIONFOSSA-N 1 2 366.465 3.414 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179359988 495559514 /nfs/dbraw/zinc/55/95/14/495559514.db2.gz FNWPLVZCCSKMPD-ICSRJNTNSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179359988 495559520 /nfs/dbraw/zinc/55/95/20/495559520.db2.gz FNWPLVZCCSKMPD-ICSRJNTNSA-N 1 2 371.843 3.455 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185408449 495566375 /nfs/dbraw/zinc/56/63/75/495566375.db2.gz WLCLCSBTAWZGAE-HZPDHXFCSA-N 1 2 356.470 3.124 20 30 FGEDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000574519286 505791259 /nfs/dbraw/zinc/79/12/59/505791259.db2.gz LSVUNOZHAFUCLN-UHFFFAOYSA-N 1 2 373.819 3.042 20 30 FGEDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000574519286 505791261 /nfs/dbraw/zinc/79/12/61/505791261.db2.gz LSVUNOZHAFUCLN-UHFFFAOYSA-N 1 2 373.819 3.042 20 30 FGEDLO Cc1cccc(NC(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000154620787 495675100 /nfs/dbraw/zinc/67/51/00/495675100.db2.gz ZPXQIIZDTJDDMF-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(Cc3csc(C)n3)CC2)cc(OC)c1O ZINC000179876431 495767394 /nfs/dbraw/zinc/76/73/94/495767394.db2.gz LKOPCPJKEBJBJQ-UHFFFAOYSA-N 1 2 373.522 3.212 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185945871 495792800 /nfs/dbraw/zinc/79/28/00/495792800.db2.gz IYIQRFRTEAJHDW-HZMBPMFUSA-N 1 2 360.405 3.011 20 30 FGEDLO CCc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000179988798 495812621 /nfs/dbraw/zinc/81/26/21/495812621.db2.gz LUCZXJYEOAVITP-XJKSGUPXSA-N 1 2 354.479 3.423 20 30 FGEDLO CC(C)CCOC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177011929 495882406 /nfs/dbraw/zinc/88/24/06/495882406.db2.gz ARPXQPHJJDZWDL-QGZVFWFLSA-N 1 2 361.511 3.252 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160192262 495905173 /nfs/dbraw/zinc/90/51/73/495905173.db2.gz OMRQQQZYQCFVOP-KRWDZBQOSA-N 1 2 352.438 3.094 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160192262 495905179 /nfs/dbraw/zinc/90/51/79/495905179.db2.gz OMRQQQZYQCFVOP-KRWDZBQOSA-N 1 2 352.438 3.094 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174333662 495915570 /nfs/dbraw/zinc/91/55/70/495915570.db2.gz XVXUWPCYTZIWMR-ZIAGYGMSSA-N 1 2 360.433 3.339 20 30 FGEDLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151714568 495926403 /nfs/dbraw/zinc/92/64/03/495926403.db2.gz WUSHFGKKNLGLIF-QRWLVFNGSA-N 1 2 351.450 3.360 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH2+][C@H](c3nccs3)c3ccccc3)C2=O)cc1 ZINC000177192062 495969339 /nfs/dbraw/zinc/96/93/39/495969339.db2.gz UDHIFHWPYZJCMW-MOPGFXCFSA-N 1 2 374.469 3.499 20 30 FGEDLO Cc1cc(CN2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000177235974 495988724 /nfs/dbraw/zinc/98/87/24/495988724.db2.gz RVJRMPSGAFOOHF-UHFFFAOYSA-N 1 2 363.383 3.171 20 30 FGEDLO N#Cc1cc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1F ZINC000160596152 496000081 /nfs/dbraw/zinc/00/00/81/496000081.db2.gz HIPSHEXRVONABG-UHFFFAOYSA-N 1 2 350.397 3.177 20 30 FGEDLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000177371800 496034857 /nfs/dbraw/zinc/03/48/57/496034857.db2.gz SIEWGCWWXOSBKW-MRXNPFEDSA-N 1 2 361.511 3.378 20 30 FGEDLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000177371800 496034861 /nfs/dbraw/zinc/03/48/61/496034861.db2.gz SIEWGCWWXOSBKW-MRXNPFEDSA-N 1 2 361.511 3.378 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000186598537 496066495 /nfs/dbraw/zinc/06/64/95/496066495.db2.gz FZJDEXXMMDBYOZ-HXUWFJFHSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000186598537 496066498 /nfs/dbraw/zinc/06/64/98/496066498.db2.gz FZJDEXXMMDBYOZ-HXUWFJFHSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000171871283 496071871 /nfs/dbraw/zinc/07/18/71/496071871.db2.gz REZUTIUNMFHDDK-KRWDZBQOSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000171871283 496071875 /nfs/dbraw/zinc/07/18/75/496071875.db2.gz REZUTIUNMFHDDK-KRWDZBQOSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000172011148 496127892 /nfs/dbraw/zinc/12/78/92/496127892.db2.gz STWHRXBXBQLGOF-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)n1-c1ccc(C#N)cc1 ZINC000177739601 496179243 /nfs/dbraw/zinc/17/92/43/496179243.db2.gz YJWVDMQIVFJXIW-HXUWFJFHSA-N 1 2 373.460 3.467 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000184012509 496200602 /nfs/dbraw/zinc/20/06/02/496200602.db2.gz RKYTYVBYOHUVPV-INIZCTEOSA-N 1 2 354.479 3.159 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000184012509 496200608 /nfs/dbraw/zinc/20/06/08/496200608.db2.gz RKYTYVBYOHUVPV-INIZCTEOSA-N 1 2 354.479 3.159 20 30 FGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000184093302 496234601 /nfs/dbraw/zinc/23/46/01/496234601.db2.gz XIFSQMIDEBDDJA-LLVKDONJSA-N 1 2 361.320 3.326 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177894696 496242539 /nfs/dbraw/zinc/24/25/39/496242539.db2.gz GDWFHUOKIJNNLV-UHFFFAOYSA-N 1 2 353.332 3.344 20 30 FGEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000172347343 496263538 /nfs/dbraw/zinc/26/35/38/496263538.db2.gz PCWKBVCLYHAOKK-UHFFFAOYSA-N 1 2 354.454 3.126 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000156550470 496276442 /nfs/dbraw/zinc/27/64/42/496276442.db2.gz XCTSTXLFMFPIKR-QZTJIDSGSA-N 1 2 365.905 3.319 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000156550470 496276447 /nfs/dbraw/zinc/27/64/47/496276447.db2.gz XCTSTXLFMFPIKR-QZTJIDSGSA-N 1 2 365.905 3.319 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(C#N)c1C ZINC000156558356 496278334 /nfs/dbraw/zinc/27/83/34/496278334.db2.gz QFFLBQDIMPTPCR-ZBFHGGJFSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(C#N)c1C ZINC000156558356 496278338 /nfs/dbraw/zinc/27/83/38/496278338.db2.gz QFFLBQDIMPTPCR-ZBFHGGJFSA-N 1 2 373.478 3.356 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c(Br)c1 ZINC000181183185 496300997 /nfs/dbraw/zinc/30/09/97/496300997.db2.gz OPIPBIWTSZQEQQ-GOSISDBHSA-N 1 2 357.251 3.412 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c(Br)c1 ZINC000181183185 496301004 /nfs/dbraw/zinc/30/10/04/496301004.db2.gz OPIPBIWTSZQEQQ-GOSISDBHSA-N 1 2 357.251 3.412 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)c(Br)c1 ZINC000181197543 496308555 /nfs/dbraw/zinc/30/85/55/496308555.db2.gz XJPCOHUHWORHIL-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)c1 ZINC000181263354 496331893 /nfs/dbraw/zinc/33/18/93/496331893.db2.gz AFTBVOLRIIYGMA-UHFFFAOYSA-N 1 2 363.465 3.405 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153072284 496344378 /nfs/dbraw/zinc/34/43/78/496344378.db2.gz LGSXSSVAQMCRHQ-LJQANCHMSA-N 1 2 363.465 3.152 20 30 FGEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000181437887 496396203 /nfs/dbraw/zinc/39/62/03/496396203.db2.gz YEDCWCWISUBQEW-SFHVURJKSA-N 1 2 371.282 3.227 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(F)c(F)c1 ZINC000187375232 496416046 /nfs/dbraw/zinc/41/60/46/496416046.db2.gz XZMVUPLUOQORBY-LJQANCHMSA-N 1 2 355.392 3.407 20 30 FGEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)o1 ZINC000178373175 496431773 /nfs/dbraw/zinc/43/17/73/496431773.db2.gz GQZOGIYPQFLIDI-UHFFFAOYSA-N 1 2 372.384 3.308 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCO[C@H](C#N)C2)c1 ZINC000153487422 496472397 /nfs/dbraw/zinc/47/23/97/496472397.db2.gz LWRHBKWVALEBST-QGZVFWFLSA-N 1 2 353.426 3.106 20 30 FGEDLO N#CCc1cccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000181798380 496548674 /nfs/dbraw/zinc/54/86/74/496548674.db2.gz JRLKXGIOPWXVOS-UHFFFAOYSA-N 1 2 370.456 3.390 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000179220340 496715448 /nfs/dbraw/zinc/71/54/48/496715448.db2.gz PGABSCGJQSZRQL-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000179220340 496715452 /nfs/dbraw/zinc/71/54/52/496715452.db2.gz PGABSCGJQSZRQL-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)ccc1OC ZINC000158505258 496715612 /nfs/dbraw/zinc/71/56/12/496715612.db2.gz ZXVVVWAOBQDFRY-UHFFFAOYSA-N 1 2 370.449 3.201 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000273487042 496820809 /nfs/dbraw/zinc/82/08/09/496820809.db2.gz JQPVLGVGFYCYBP-APWZRJJASA-N 1 2 369.465 3.454 20 30 FGEDLO CCn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2c1cccc2F ZINC000580928987 505870311 /nfs/dbraw/zinc/87/03/11/505870311.db2.gz RNZXGQHQESTODQ-OAHLLOKOSA-N 1 2 365.412 3.115 20 30 FGEDLO CCn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2c1cccc2F ZINC000580928987 505870313 /nfs/dbraw/zinc/87/03/13/505870313.db2.gz RNZXGQHQESTODQ-OAHLLOKOSA-N 1 2 365.412 3.115 20 30 FGEDLO C=CC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cccs1 ZINC000191878715 496917726 /nfs/dbraw/zinc/91/77/26/496917726.db2.gz MDGUKFOJACUXFH-UHFFFAOYSA-N 1 2 364.536 3.198 20 30 FGEDLO C=CC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cccs1 ZINC000191878715 496917732 /nfs/dbraw/zinc/91/77/32/496917732.db2.gz MDGUKFOJACUXFH-UHFFFAOYSA-N 1 2 364.536 3.198 20 30 FGEDLO C=C1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000264515978 496918627 /nfs/dbraw/zinc/91/86/27/496918627.db2.gz UGQQOKNDNGDDOT-UHFFFAOYSA-N 1 2 351.450 3.335 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191895533 496923584 /nfs/dbraw/zinc/92/35/84/496923584.db2.gz YIKIDJYWVCYXKO-XPKDYRNWSA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191895533 496923592 /nfs/dbraw/zinc/92/35/92/496923592.db2.gz YIKIDJYWVCYXKO-XPKDYRNWSA-N 1 2 363.255 3.094 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248419822 497004544 /nfs/dbraw/zinc/00/45/44/497004544.db2.gz VSBOUOUVAMMZKC-ZMSDIMECSA-N 1 2 353.426 3.289 20 30 FGEDLO C=CCOc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000192310573 497070611 /nfs/dbraw/zinc/07/06/11/497070611.db2.gz KELKARQHUVNDNN-KRWDZBQOSA-N 1 2 354.454 3.005 20 30 FGEDLO C=CCOc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000192310573 497070615 /nfs/dbraw/zinc/07/06/15/497070615.db2.gz KELKARQHUVNDNN-KRWDZBQOSA-N 1 2 354.454 3.005 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000192472479 497125959 /nfs/dbraw/zinc/12/59/59/497125959.db2.gz OQHZFZIZZIOKMF-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116223 497170050 /nfs/dbraw/zinc/17/00/50/497170050.db2.gz SGMIRLVGGNNINQ-SJLPKXTDSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116223 497170054 /nfs/dbraw/zinc/17/00/54/497170054.db2.gz SGMIRLVGGNNINQ-SJLPKXTDSA-N 1 2 373.815 3.232 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2OC)o1 ZINC000274831256 497177850 /nfs/dbraw/zinc/17/78/50/497177850.db2.gz FKJHBYAHAIXJPU-AWEZNQCLSA-N 1 2 372.421 3.245 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2OC)o1 ZINC000274831256 497177857 /nfs/dbraw/zinc/17/78/57/497177857.db2.gz FKJHBYAHAIXJPU-AWEZNQCLSA-N 1 2 372.421 3.245 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270711704 497185284 /nfs/dbraw/zinc/18/52/84/497185284.db2.gz OPPSPDBOIOGOIC-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270711704 497185290 /nfs/dbraw/zinc/18/52/90/497185290.db2.gz OPPSPDBOIOGOIC-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249831287 497251857 /nfs/dbraw/zinc/25/18/57/497251857.db2.gz OPSTWVFQQQZIQU-SJKOYZFVSA-N 1 2 364.287 3.250 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249831287 497251863 /nfs/dbraw/zinc/25/18/63/497251863.db2.gz OPSTWVFQQQZIQU-SJKOYZFVSA-N 1 2 364.287 3.250 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000278990269 497293942 /nfs/dbraw/zinc/29/39/42/497293942.db2.gz PYNXVPOKTOENAB-UHFFFAOYSA-N 1 2 360.870 3.016 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000278990269 497293945 /nfs/dbraw/zinc/29/39/45/497293945.db2.gz PYNXVPOKTOENAB-UHFFFAOYSA-N 1 2 360.870 3.016 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000190159166 497380881 /nfs/dbraw/zinc/38/08/81/497380881.db2.gz JVMGFAGYFCPJRQ-OAHLLOKOSA-N 1 2 374.428 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000190159166 497380885 /nfs/dbraw/zinc/38/08/85/497380885.db2.gz JVMGFAGYFCPJRQ-OAHLLOKOSA-N 1 2 374.428 3.242 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000578300350 505909649 /nfs/dbraw/zinc/90/96/49/505909649.db2.gz RTXIZQLTTZZXMF-JTQLQIEISA-N 1 2 360.508 3.471 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000279760035 497532947 /nfs/dbraw/zinc/53/29/47/497532947.db2.gz RILWAVWASKTGCA-OAHLLOKOSA-N 1 2 358.873 3.327 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000279760035 497532948 /nfs/dbraw/zinc/53/29/48/497532948.db2.gz RILWAVWASKTGCA-OAHLLOKOSA-N 1 2 358.873 3.327 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272513935 497648415 /nfs/dbraw/zinc/64/84/15/497648415.db2.gz JQXOIWYZZCFXIV-UHFFFAOYSA-N 1 2 352.438 3.175 20 30 FGEDLO N#Cc1csc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272573338 497667354 /nfs/dbraw/zinc/66/73/54/497667354.db2.gz DGOFFGAOKQTGJG-HNNXBMFYSA-N 1 2 352.419 3.243 20 30 FGEDLO N#Cc1csc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272573338 497667360 /nfs/dbraw/zinc/66/73/60/497667360.db2.gz DGOFFGAOKQTGJG-HNNXBMFYSA-N 1 2 352.419 3.243 20 30 FGEDLO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2nnnn2CC(F)(F)F)cc1 ZINC000191029337 497687280 /nfs/dbraw/zinc/68/72/80/497687280.db2.gz WKMCRAKUXWTCRO-SNVBAGLBSA-N 1 2 371.260 3.158 20 30 FGEDLO CC(C)[C@@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272678033 497699027 /nfs/dbraw/zinc/69/90/27/497699027.db2.gz AWIJACGHHDIGSN-SFTDATJTSA-N 1 2 369.509 3.044 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000280269938 497702504 /nfs/dbraw/zinc/70/25/04/497702504.db2.gz GCPMIEXZNCAPPQ-UHFFFAOYSA-N 1 2 372.379 3.085 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000272706615 497707904 /nfs/dbraw/zinc/70/79/04/497707904.db2.gz CNBLEUQNLMQDHX-KRWDZBQOSA-N 1 2 362.474 3.136 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000246428565 497731954 /nfs/dbraw/zinc/73/19/54/497731954.db2.gz ILGMLSLIVDSRQE-FGTMMUONSA-N 1 2 369.383 3.205 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000246428565 497731957 /nfs/dbraw/zinc/73/19/57/497731957.db2.gz ILGMLSLIVDSRQE-FGTMMUONSA-N 1 2 369.383 3.205 20 30 FGEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCCCC12CCCC2 ZINC000329548042 497826516 /nfs/dbraw/zinc/82/65/16/497826516.db2.gz HOSFOYPIXAGJEA-GOSISDBHSA-N 1 2 372.513 3.425 20 30 FGEDLO O=C(C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NC1CCCC1 ZINC000329590097 497838392 /nfs/dbraw/zinc/83/83/92/497838392.db2.gz SWMVPJDAEMMZDI-GOSISDBHSA-N 1 2 371.481 3.314 20 30 FGEDLO O=C(C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NC1CCCC1 ZINC000329590097 497838396 /nfs/dbraw/zinc/83/83/96/497838396.db2.gz SWMVPJDAEMMZDI-GOSISDBHSA-N 1 2 371.481 3.314 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCCCOc2cccc(C#N)c2)CC1(C)C ZINC000295884011 497840181 /nfs/dbraw/zinc/84/01/81/497840181.db2.gz MEWUVZULFKQBDT-IBGZPJMESA-N 1 2 366.465 3.451 20 30 FGEDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329648152 497856583 /nfs/dbraw/zinc/85/65/83/497856583.db2.gz BNOBKGKPIIMIOE-SFHVURJKSA-N 1 2 356.470 3.072 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1 ZINC000292068565 497863877 /nfs/dbraw/zinc/86/38/77/497863877.db2.gz CMLPUMDLIDMWSA-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1 ZINC000292068565 497863882 /nfs/dbraw/zinc/86/38/82/497863882.db2.gz CMLPUMDLIDMWSA-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c(C#N)c1C ZINC000299697877 497898984 /nfs/dbraw/zinc/89/89/84/497898984.db2.gz VVIXRLXVRRZCDP-UHFFFAOYSA-N 1 2 371.441 3.093 20 30 FGEDLO N#Cc1ccncc1N1CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000578478834 505949445 /nfs/dbraw/zinc/94/94/45/505949445.db2.gz PBFALJIIBLRKDA-UHFFFAOYSA-N 1 2 371.444 3.254 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C[C@H]1n1cc[nH+]c1 ZINC000329887424 497939481 /nfs/dbraw/zinc/93/94/81/497939481.db2.gz XJWVCXWODFGACD-DGCLKSJQSA-N 1 2 364.352 3.333 20 30 FGEDLO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000364416256 497945491 /nfs/dbraw/zinc/94/54/91/497945491.db2.gz OTCGSTIJBWFWHM-UHFFFAOYSA-N 1 2 358.449 3.082 20 30 FGEDLO COc1ccc([C@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1OC ZINC000301092279 497947659 /nfs/dbraw/zinc/94/76/59/497947659.db2.gz MPWOBLCWRKNBAD-IBGZPJMESA-N 1 2 367.449 3.061 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364423271 497950145 /nfs/dbraw/zinc/95/01/45/497950145.db2.gz RPUMFHITKCUPDL-INIZCTEOSA-N 1 2 373.416 3.452 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000301101646 497951734 /nfs/dbraw/zinc/95/17/34/497951734.db2.gz KJUVOKIVGVNDAO-STQMWFEESA-N 1 2 358.392 3.457 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329933963 497959733 /nfs/dbraw/zinc/95/97/33/497959733.db2.gz JLVSBMHSJUEKLE-WMZOPIPTSA-N 1 2 355.486 3.382 20 30 FGEDLO O=C(CN1CCCCCC1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329983722 497980365 /nfs/dbraw/zinc/98/03/65/497980365.db2.gz PVMFFZOHAUJJPP-GJZGRUSLSA-N 1 2 367.490 3.020 20 30 FGEDLO O=C(CN1CCCCCC1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329983722 497980367 /nfs/dbraw/zinc/98/03/67/497980367.db2.gz PVMFFZOHAUJJPP-GJZGRUSLSA-N 1 2 367.490 3.020 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N3CC[C@@]4(C3)OCc3ccccc34)[nH+]c2c1 ZINC000329987680 497981690 /nfs/dbraw/zinc/98/16/90/497981690.db2.gz SVDOYSALFLHFCH-NRFANRHFSA-N 1 2 362.433 3.188 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329988622 497982783 /nfs/dbraw/zinc/98/27/83/497982783.db2.gz HHYUIZSIWKFPBA-IBGZPJMESA-N 1 2 371.481 3.154 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329988622 497982788 /nfs/dbraw/zinc/98/27/88/497982788.db2.gz HHYUIZSIWKFPBA-IBGZPJMESA-N 1 2 371.481 3.154 20 30 FGEDLO N#Cc1cccc(Cl)c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000301174055 497984158 /nfs/dbraw/zinc/98/41/58/497984158.db2.gz HOCXTQOAOROKFV-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075591 498012541 /nfs/dbraw/zinc/01/25/41/498012541.db2.gz LXDWXPVGOSOZDU-SJKOYZFVSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075591 498012546 /nfs/dbraw/zinc/01/25/46/498012546.db2.gz LXDWXPVGOSOZDU-SJKOYZFVSA-N 1 2 353.488 3.006 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330081621 498014197 /nfs/dbraw/zinc/01/41/97/498014197.db2.gz AHKIDPKSNXEQJS-BSIFCXSSSA-N 1 2 358.482 3.290 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330081621 498014199 /nfs/dbraw/zinc/01/41/99/498014199.db2.gz AHKIDPKSNXEQJS-BSIFCXSSSA-N 1 2 358.482 3.290 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000296380372 498019749 /nfs/dbraw/zinc/01/97/49/498019749.db2.gz RZXQTMTZQDNXLR-MRXNPFEDSA-N 1 2 361.829 3.025 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000296380372 498019752 /nfs/dbraw/zinc/01/97/52/498019752.db2.gz RZXQTMTZQDNXLR-MRXNPFEDSA-N 1 2 361.829 3.025 20 30 FGEDLO Cc1cc(NC(=O)N2CCO[C@@H](C3CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000330125119 498030215 /nfs/dbraw/zinc/03/02/15/498030215.db2.gz IHABYIJTMFDQHE-MAUKXSAKSA-N 1 2 358.486 3.425 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129045 498030689 /nfs/dbraw/zinc/03/06/89/498030689.db2.gz OBJOFXHEGNDZJB-VFVRVIDISA-N 1 2 354.397 3.211 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129045 498030693 /nfs/dbraw/zinc/03/06/93/498030693.db2.gz OBJOFXHEGNDZJB-VFVRVIDISA-N 1 2 354.397 3.211 20 30 FGEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ncccn2)C1)C1CCCC1 ZINC000330164128 498046281 /nfs/dbraw/zinc/04/62/81/498046281.db2.gz VTDVXWQXPMAIGM-OAHLLOKOSA-N 1 2 354.458 3.358 20 30 FGEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ncccn2)C1)C1CCCC1 ZINC000330164128 498046285 /nfs/dbraw/zinc/04/62/85/498046285.db2.gz VTDVXWQXPMAIGM-OAHLLOKOSA-N 1 2 354.458 3.358 20 30 FGEDLO CCc1nc(C[NH+]2CCN(c3cc(C#N)nc4ccccc43)CC2)cs1 ZINC000301346284 498067193 /nfs/dbraw/zinc/06/71/93/498067193.db2.gz HKHZLJGJFOFKSL-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000330236001 498072441 /nfs/dbraw/zinc/07/24/41/498072441.db2.gz UDZKJWLNZXRLCG-ZDUSSCGKSA-N 1 2 374.407 3.283 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330235099 498072584 /nfs/dbraw/zinc/07/25/84/498072584.db2.gz GTKKAFMSTKCXHK-LLVKDONJSA-N 1 2 362.817 3.039 20 30 FGEDLO O=C(NCCS(=O)(=O)c1ccccc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330304413 498098914 /nfs/dbraw/zinc/09/89/14/498098914.db2.gz PYYXQWAWJZWLJZ-GOSISDBHSA-N 1 2 364.511 3.214 20 30 FGEDLO O=C(NCCS(=O)(=O)c1ccccc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330304413 498098923 /nfs/dbraw/zinc/09/89/23/498098923.db2.gz PYYXQWAWJZWLJZ-GOSISDBHSA-N 1 2 364.511 3.214 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cccc3ccsc32)CCN1C ZINC000330333235 498107519 /nfs/dbraw/zinc/10/75/19/498107519.db2.gz PQFKRFIASCGITQ-HNNXBMFYSA-N 1 2 355.467 3.169 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000330344312 498112792 /nfs/dbraw/zinc/11/27/92/498112792.db2.gz CWBKMUALCZUCKH-IIMJZQEZSA-N 1 2 359.470 3.174 20 30 FGEDLO N#Cc1c2c(cnc1N1CCc3c([nH+]cn3-c3ccc(F)cc3)C1)CCC2 ZINC000578620534 505982749 /nfs/dbraw/zinc/98/27/49/505982749.db2.gz FTAROWICSIJEGL-UHFFFAOYSA-N 1 2 359.408 3.329 20 30 FGEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1c(F)cncc1F ZINC000285584881 498136523 /nfs/dbraw/zinc/13/65/23/498136523.db2.gz IJHPCGWGEVAKLL-YVEFUNNKSA-N 1 2 356.376 3.078 20 30 FGEDLO CS[C@H](CO)[C@H](C)NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330770985 498190765 /nfs/dbraw/zinc/19/07/65/498190765.db2.gz BQSAJGGNIHKNNU-OFQRWUPVSA-N 1 2 366.531 3.207 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c(Cl)c1 ZINC000578689650 505997774 /nfs/dbraw/zinc/99/77/74/505997774.db2.gz CIONSPUZQJAINA-UHFFFAOYSA-N 1 2 362.842 3.008 20 30 FGEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331143766 498260455 /nfs/dbraw/zinc/26/04/55/498260455.db2.gz GLNOOWHVXBAJHN-HNNXBMFYSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331143766 498260457 /nfs/dbraw/zinc/26/04/57/498260457.db2.gz GLNOOWHVXBAJHN-HNNXBMFYSA-N 1 2 364.287 3.057 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281814399 498278543 /nfs/dbraw/zinc/27/85/43/498278543.db2.gz OCPFKXFFVVBFTB-IEBWSBKVSA-N 1 2 372.513 3.090 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc4cc(C#N)ccc4n3)c[nH+]2)CCO1 ZINC000301825657 498281502 /nfs/dbraw/zinc/28/15/02/498281502.db2.gz ONLGFORACLEZKP-OAHLLOKOSA-N 1 2 359.433 3.339 20 30 FGEDLO C=C(C)[C@H](CC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)OCC ZINC000361166271 498353550 /nfs/dbraw/zinc/35/35/50/498353550.db2.gz GXKFTGCIDIWWNY-SFHVURJKSA-N 1 2 356.470 3.019 20 30 FGEDLO Cc1cc(NC(=O)C(=O)N(CCC#N)C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000581584355 506020683 /nfs/dbraw/zinc/02/06/83/506020683.db2.gz BHPGNXUCAUFNAL-UHFFFAOYSA-N 1 2 366.421 3.272 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144801 498399098 /nfs/dbraw/zinc/39/90/98/498399098.db2.gz ZUZXBSOSIWVIHG-IAGOWNOFSA-N 1 2 352.438 3.051 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144801 498399105 /nfs/dbraw/zinc/39/91/05/498399105.db2.gz ZUZXBSOSIWVIHG-IAGOWNOFSA-N 1 2 352.438 3.051 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290061326 498413796 /nfs/dbraw/zinc/41/37/96/498413796.db2.gz XSLLSFYKCAXMFP-INIZCTEOSA-N 1 2 356.495 3.355 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290061326 498413806 /nfs/dbraw/zinc/41/38/06/498413806.db2.gz XSLLSFYKCAXMFP-INIZCTEOSA-N 1 2 356.495 3.355 20 30 FGEDLO Cc1cc(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000302219301 498448582 /nfs/dbraw/zinc/44/85/82/498448582.db2.gz RDKSAXGICLBFDB-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877295 498484083 /nfs/dbraw/zinc/48/40/83/498484083.db2.gz HWIUQCHRKRRHML-IXDOHACOSA-N 1 2 366.408 3.176 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877295 498484090 /nfs/dbraw/zinc/48/40/90/498484090.db2.gz HWIUQCHRKRRHML-IXDOHACOSA-N 1 2 366.408 3.176 20 30 FGEDLO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cnn1C ZINC000362655536 498533248 /nfs/dbraw/zinc/53/32/48/498533248.db2.gz FMXVIXGFWCTRLN-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cnn1C ZINC000362655536 498533251 /nfs/dbraw/zinc/53/32/51/498533251.db2.gz FMXVIXGFWCTRLN-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365589645 498546325 /nfs/dbraw/zinc/54/63/25/498546325.db2.gz ULFOLWGXFKFQEP-MRXNPFEDSA-N 1 2 361.449 3.308 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2ncccc2C#N)CC1 ZINC000302733351 498552294 /nfs/dbraw/zinc/55/22/94/498552294.db2.gz XVLAANDRAADIJK-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302828067 498591195 /nfs/dbraw/zinc/59/11/95/498591195.db2.gz IHTNRPWVMYTLAV-UHFFFAOYSA-N 1 2 366.852 3.414 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(Cl)c1O ZINC000297923364 498610955 /nfs/dbraw/zinc/61/09/55/498610955.db2.gz TXUBTGNTPRFKSQ-UHFFFAOYSA-N 1 2 372.856 3.033 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)ccc1F ZINC000570019536 506070176 /nfs/dbraw/zinc/07/01/76/506070176.db2.gz DZEPRQBDJAQUDO-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO N#Cc1ccc(OC2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000290751161 498667686 /nfs/dbraw/zinc/66/76/86/498667686.db2.gz QTDPHEXEANHZDO-UHFFFAOYSA-N 1 2 361.405 3.281 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298128632 498671394 /nfs/dbraw/zinc/67/13/94/498671394.db2.gz NKEDGAHDVBDTFT-INIZCTEOSA-N 1 2 351.454 3.351 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298128632 498671400 /nfs/dbraw/zinc/67/14/00/498671400.db2.gz NKEDGAHDVBDTFT-INIZCTEOSA-N 1 2 351.454 3.351 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000581970736 506102500 /nfs/dbraw/zinc/10/25/00/506102500.db2.gz PYMOMYKYNYDGNB-UHFFFAOYSA-N 1 2 352.344 3.011 20 30 FGEDLO Cc1cc2cc[nH]c2cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000328620530 498877935 /nfs/dbraw/zinc/87/79/35/498877935.db2.gz WYTDWGLCNNGOOI-KRWDZBQOSA-N 1 2 356.470 3.064 20 30 FGEDLO Cc1cc2cc[nH]c2cc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000328620530 498877943 /nfs/dbraw/zinc/87/79/43/498877943.db2.gz WYTDWGLCNNGOOI-KRWDZBQOSA-N 1 2 356.470 3.064 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCc3c(F)ccc(F)c3C1)CCC2 ZINC000328654918 498891769 /nfs/dbraw/zinc/89/17/69/498891769.db2.gz MHCSZNHKTKKIEQ-ZDUSSCGKSA-N 1 2 360.408 3.319 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccn2)ccc1Cl ZINC000295182410 498935180 /nfs/dbraw/zinc/93/51/80/498935180.db2.gz PWZLUKUZKPUJKM-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccn2)ccc1Cl ZINC000295182410 498935183 /nfs/dbraw/zinc/93/51/83/498935183.db2.gz PWZLUKUZKPUJKM-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO C[C@@]1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOC1 ZINC000328799138 498943050 /nfs/dbraw/zinc/94/30/50/498943050.db2.gz GYAMFSYHJDKGAT-FQEVSTJZSA-N 1 2 352.438 3.354 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3c3ccccc3)C2=O)cc1 ZINC000333279183 498963904 /nfs/dbraw/zinc/96/39/04/498963904.db2.gz JFFGLKUBCVURLH-SFTDATJTSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3c3ccccc3)C2=O)cc1 ZINC000333279183 498963906 /nfs/dbraw/zinc/96/39/06/498963906.db2.gz JFFGLKUBCVURLH-SFTDATJTSA-N 1 2 361.445 3.127 20 30 FGEDLO Cc1nc(C)c(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)s1 ZINC000328873388 498970232 /nfs/dbraw/zinc/97/02/32/498970232.db2.gz RARLIRCLUZFZMU-UHFFFAOYSA-N 1 2 357.439 3.109 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000328880863 498973112 /nfs/dbraw/zinc/97/31/12/498973112.db2.gz WGAFECLEGQCUBZ-IUODEOHRSA-N 1 2 360.458 3.500 20 30 FGEDLO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)NC[C@@H]1COCCO1 ZINC000328893920 498976697 /nfs/dbraw/zinc/97/66/97/498976697.db2.gz URIVXDSZCDKWEJ-MRXNPFEDSA-N 1 2 357.454 3.456 20 30 FGEDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000328936374 498991632 /nfs/dbraw/zinc/99/16/32/498991632.db2.gz QRBXNHRZZOGRKO-KZNAEPCWSA-N 1 2 357.498 3.159 20 30 FGEDLO Cc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000328938270 498992062 /nfs/dbraw/zinc/99/20/62/498992062.db2.gz DHXNHQGUHDGLDR-CQSZACIVSA-N 1 2 371.485 3.365 20 30 FGEDLO C=CCCCCCCCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000288312951 498992918 /nfs/dbraw/zinc/99/29/18/498992918.db2.gz XSEIJOYBQGGHRW-UHFFFAOYSA-N 1 2 369.469 3.239 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366595745 498994894 /nfs/dbraw/zinc/99/48/94/498994894.db2.gz HZIHXUSEVQWNSR-ZBFHGGJFSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366595745 498994899 /nfs/dbraw/zinc/99/48/99/498994899.db2.gz HZIHXUSEVQWNSR-ZBFHGGJFSA-N 1 2 374.510 3.066 20 30 FGEDLO O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947429 498995420 /nfs/dbraw/zinc/99/54/20/498995420.db2.gz VTINWTNUGFSNOZ-SJKOYZFVSA-N 1 2 351.410 3.462 20 30 FGEDLO O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947429 498995427 /nfs/dbraw/zinc/99/54/27/498995427.db2.gz VTINWTNUGFSNOZ-SJKOYZFVSA-N 1 2 351.410 3.462 20 30 FGEDLO N#CCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618011 499006568 /nfs/dbraw/zinc/00/65/68/499006568.db2.gz MWUDXAGSBQEDOV-QZTJIDSGSA-N 1 2 374.435 3.236 20 30 FGEDLO N#CCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618011 499006576 /nfs/dbraw/zinc/00/65/76/499006576.db2.gz MWUDXAGSBQEDOV-QZTJIDSGSA-N 1 2 374.435 3.236 20 30 FGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028742 499020335 /nfs/dbraw/zinc/02/03/35/499020335.db2.gz KPCJVLSZHKFAFI-ZYHUDNBSSA-N 1 2 371.466 3.266 20 30 FGEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028742 499020339 /nfs/dbraw/zinc/02/03/39/499020339.db2.gz KPCJVLSZHKFAFI-ZYHUDNBSSA-N 1 2 371.466 3.266 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000329028431 499020465 /nfs/dbraw/zinc/02/04/65/499020465.db2.gz OXEXPQWEDWBXSK-LPHOPBHVSA-N 1 2 373.497 3.110 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000329028431 499020469 /nfs/dbraw/zinc/02/04/69/499020469.db2.gz OXEXPQWEDWBXSK-LPHOPBHVSA-N 1 2 373.497 3.110 20 30 FGEDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2[nH]cnc2cc1F ZINC000329147657 499055792 /nfs/dbraw/zinc/05/57/92/499055792.db2.gz AZEWIGNRBUGDME-UHFFFAOYSA-N 1 2 360.433 3.042 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329245092 499083384 /nfs/dbraw/zinc/08/33/84/499083384.db2.gz VBJMAIDNAZDZJB-FCGDIQPGSA-N 1 2 350.466 3.380 20 30 FGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329245092 499083385 /nfs/dbraw/zinc/08/33/85/499083385.db2.gz VBJMAIDNAZDZJB-FCGDIQPGSA-N 1 2 350.466 3.380 20 30 FGEDLO Cn1cc(Nc2cccc(NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)c2)cn1 ZINC000329274010 499088211 /nfs/dbraw/zinc/08/82/11/499088211.db2.gz JESGNYLALKTIMC-LJQANCHMSA-N 1 2 369.469 3.395 20 30 FGEDLO Cn1cc(Nc2cccc(NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)c2)cn1 ZINC000329274010 499088217 /nfs/dbraw/zinc/08/82/17/499088217.db2.gz JESGNYLALKTIMC-LJQANCHMSA-N 1 2 369.469 3.395 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCCC[C@H]1c1cc[nH]n1)C2 ZINC000329411985 499117257 /nfs/dbraw/zinc/11/72/57/499117257.db2.gz DHZCRAKTYNHBHS-HOCLYGCPSA-N 1 2 370.501 3.360 20 30 FGEDLO O=C(CC[C@H]1CCCCO1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329414387 499117648 /nfs/dbraw/zinc/11/76/48/499117648.db2.gz CPEZYRPREWGJDX-OAHLLOKOSA-N 1 2 358.442 3.337 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[NH+]2CCOCC2)s1 ZINC000329465762 499125764 /nfs/dbraw/zinc/12/57/64/499125764.db2.gz VHGWVASIXPBVEX-SNPRPXQTSA-N 1 2 365.499 3.141 20 30 FGEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057397 499141102 /nfs/dbraw/zinc/14/11/02/499141102.db2.gz JEYWOPJHWZEKJT-GOSISDBHSA-N 1 2 374.488 3.307 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000372539512 499142484 /nfs/dbraw/zinc/14/24/84/499142484.db2.gz QZPWBSGMLVYOIX-JEBQAFNWSA-N 1 2 368.437 3.200 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000372539512 499142486 /nfs/dbraw/zinc/14/24/86/499142486.db2.gz QZPWBSGMLVYOIX-JEBQAFNWSA-N 1 2 368.437 3.200 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000370236343 499200632 /nfs/dbraw/zinc/20/06/32/499200632.db2.gz ODTODGOKFHQWHN-FQEVSTJZSA-N 1 2 364.445 3.064 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679876 499224308 /nfs/dbraw/zinc/22/43/08/499224308.db2.gz XHKPKYDJPGGALS-RDTXWAMCSA-N 1 2 354.406 3.381 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679876 499224310 /nfs/dbraw/zinc/22/43/10/499224310.db2.gz XHKPKYDJPGGALS-RDTXWAMCSA-N 1 2 354.406 3.381 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nccc(C)n3)CC2)c(C#N)c1C ZINC000368328336 499285732 /nfs/dbraw/zinc/28/57/32/499285732.db2.gz OXOQSSFYMFXBIG-AWEZNQCLSA-N 1 2 367.453 3.073 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCc3nn(CC)c(=O)cc3C2)cc1Cl ZINC000371325946 499310209 /nfs/dbraw/zinc/31/02/09/499310209.db2.gz HAMKODBBYCSZCF-UHFFFAOYSA-N 1 2 359.857 3.040 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)cc1Cl ZINC000371325946 499310211 /nfs/dbraw/zinc/31/02/11/499310211.db2.gz HAMKODBBYCSZCF-UHFFFAOYSA-N 1 2 359.857 3.040 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](CCO)c3ccc(Cl)cc3)o2)cc1 ZINC000368625786 499315155 /nfs/dbraw/zinc/31/51/55/499315155.db2.gz RPDOTUIFJYDWMR-QGZVFWFLSA-N 1 2 368.824 3.475 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812319 499335513 /nfs/dbraw/zinc/33/55/13/499335513.db2.gz NCCLCWTVCDBXBV-KBPBESRZSA-N 1 2 360.433 3.339 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368846563 499339285 /nfs/dbraw/zinc/33/92/85/499339285.db2.gz VSAZSOBNUQLWTC-INIZCTEOSA-N 1 2 373.522 3.379 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368846563 499339286 /nfs/dbraw/zinc/33/92/86/499339286.db2.gz VSAZSOBNUQLWTC-INIZCTEOSA-N 1 2 373.522 3.379 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000371790571 499365752 /nfs/dbraw/zinc/36/57/52/499365752.db2.gz YHPLHWJDRTWDAN-GOSISDBHSA-N 1 2 352.438 3.389 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000371790571 499365753 /nfs/dbraw/zinc/36/57/53/499365753.db2.gz YHPLHWJDRTWDAN-GOSISDBHSA-N 1 2 352.438 3.389 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)sc1C ZINC000369128276 499368529 /nfs/dbraw/zinc/36/85/29/499368529.db2.gz SAJJFHJMPOQZRA-INIZCTEOSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)sc1C ZINC000369128276 499368532 /nfs/dbraw/zinc/36/85/32/499368532.db2.gz SAJJFHJMPOQZRA-INIZCTEOSA-N 1 2 371.462 3.326 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000369208300 499377480 /nfs/dbraw/zinc/37/74/80/499377480.db2.gz WSIZUETVSPQMHV-UHFFFAOYSA-N 1 2 351.435 3.250 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000372331018 499421477 /nfs/dbraw/zinc/42/14/77/499421477.db2.gz HNFKPPBPFCFLCW-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000372331018 499421478 /nfs/dbraw/zinc/42/14/78/499421478.db2.gz HNFKPPBPFCFLCW-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)CCC2 ZINC000373120873 499452512 /nfs/dbraw/zinc/45/25/12/499452512.db2.gz ATEDAQJJGSOLFI-CABCVRRESA-N 1 2 353.426 3.182 20 30 FGEDLO Cc1ccc(C[S@@](=O)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000373482113 499472408 /nfs/dbraw/zinc/47/24/08/499472408.db2.gz GFZAJZHNLQLFNH-AREMUKBSSA-N 1 2 364.474 3.420 20 30 FGEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373525955 499474953 /nfs/dbraw/zinc/47/49/53/499474953.db2.gz GPRCMRVDTPTWDO-RBBKRZOGSA-N 1 2 369.553 3.222 20 30 FGEDLO CCCCCCCCOCC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000375561067 499532698 /nfs/dbraw/zinc/53/26/98/499532698.db2.gz QOTCEHFXLDKZOZ-LJQANCHMSA-N 1 2 365.518 3.381 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376139661 499585966 /nfs/dbraw/zinc/58/59/66/499585966.db2.gz KBWZUSZURGRFQF-LESCRADOSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376139661 499585968 /nfs/dbraw/zinc/58/59/68/499585968.db2.gz KBWZUSZURGRFQF-LESCRADOSA-N 1 2 353.388 3.295 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3[nH+]ccn3Cc3ccccc3)n2)c(F)c1 ZINC000376865999 499642161 /nfs/dbraw/zinc/64/21/61/499642161.db2.gz DKNMQNNUXOPKQU-UHFFFAOYSA-N 1 2 372.407 3.162 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1F ZINC000377361942 499683278 /nfs/dbraw/zinc/68/32/78/499683278.db2.gz ZHTAEZASYIRKQK-INIZCTEOSA-N 1 2 357.433 3.278 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411138503 499702126 /nfs/dbraw/zinc/70/21/26/499702126.db2.gz RMNFWYHSUWFJAL-CQSZACIVSA-N 1 2 364.902 3.319 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411138503 499702128 /nfs/dbraw/zinc/70/21/28/499702128.db2.gz RMNFWYHSUWFJAL-CQSZACIVSA-N 1 2 364.902 3.319 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)[nH+]1 ZINC000411434903 499739838 /nfs/dbraw/zinc/73/98/38/499739838.db2.gz WZOOEKWMJNGANL-UHFFFAOYSA-N 1 2 362.433 3.008 20 30 FGEDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000411754308 499786810 /nfs/dbraw/zinc/78/68/10/499786810.db2.gz QGFGEKRXRJSVNG-MJGOQNOKSA-N 1 2 358.482 3.275 20 30 FGEDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000411754308 499786811 /nfs/dbraw/zinc/78/68/11/499786811.db2.gz QGFGEKRXRJSVNG-MJGOQNOKSA-N 1 2 358.482 3.275 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000428950307 499967416 /nfs/dbraw/zinc/96/74/16/499967416.db2.gz BTCHINIBIFZTRU-HNNXBMFYSA-N 1 2 354.303 3.419 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N(CCC#N)CC2CC2)c1)[NH+]1CCOCC1 ZINC000429079395 499999375 /nfs/dbraw/zinc/99/93/75/499999375.db2.gz ARYTYKJNYGRYKR-INIZCTEOSA-N 1 2 356.470 3.237 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)c(C#N)cn1 ZINC000425212244 500044875 /nfs/dbraw/zinc/04/48/75/500044875.db2.gz ZKWUZDZWEVLQCV-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425213401 500045509 /nfs/dbraw/zinc/04/55/09/500045509.db2.gz YDTYYZHWLAOAPH-UHFFFAOYSA-N 1 2 374.366 3.243 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000413836539 500071532 /nfs/dbraw/zinc/07/15/32/500071532.db2.gz PIECGCHEWIYCAO-HXUWFJFHSA-N 1 2 364.493 3.096 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425540946 500138197 /nfs/dbraw/zinc/13/81/97/500138197.db2.gz VYAGAZYETRVXLW-ZDUSSCGKSA-N 1 2 357.483 3.384 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425540946 500138200 /nfs/dbraw/zinc/13/82/00/500138200.db2.gz VYAGAZYETRVXLW-ZDUSSCGKSA-N 1 2 357.483 3.384 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000573357242 506178341 /nfs/dbraw/zinc/17/83/41/506178341.db2.gz NHMSWCUSLIFWGN-DZKIICNBSA-N 1 2 364.515 3.088 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000573357242 506178343 /nfs/dbraw/zinc/17/83/43/506178343.db2.gz NHMSWCUSLIFWGN-DZKIICNBSA-N 1 2 364.515 3.088 20 30 FGEDLO O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423766391 500400086 /nfs/dbraw/zinc/40/00/86/500400086.db2.gz VIRZWNMIPAKAQI-MRVPVSSYSA-N 1 2 360.229 3.243 20 30 FGEDLO N#Cc1c(F)cccc1CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000427513941 500400453 /nfs/dbraw/zinc/40/04/53/500400453.db2.gz LQLOECYTAVERIM-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431810367 500428127 /nfs/dbraw/zinc/42/81/27/500428127.db2.gz GWFLUQYMRQUFRL-SFHVURJKSA-N 1 2 351.454 3.382 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000427989876 500455101 /nfs/dbraw/zinc/45/51/01/500455101.db2.gz HMRRKCFKLSWSCF-KRWDZBQOSA-N 1 2 358.401 3.292 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000420886769 500522115 /nfs/dbraw/zinc/52/21/15/500522115.db2.gz KQJDXMCKYDSHCS-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432737757 500554747 /nfs/dbraw/zinc/55/47/47/500554747.db2.gz FOBQTIPQHMVXJL-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C=CC[C@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442829242 500631543 /nfs/dbraw/zinc/63/15/43/500631543.db2.gz UITVLUPHXLEUAR-PGRDOPGGSA-N 1 2 372.509 3.269 20 30 FGEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874475 500638023 /nfs/dbraw/zinc/63/80/23/500638023.db2.gz NFXDRINMICSFLD-GHTZIAJQSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874475 500638027 /nfs/dbraw/zinc/63/80/27/500638027.db2.gz NFXDRINMICSFLD-GHTZIAJQSA-N 1 2 357.498 3.440 20 30 FGEDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)oc1C ZINC000437431879 500643570 /nfs/dbraw/zinc/64/35/70/500643570.db2.gz GLPYYJNTOLQTHX-UHFFFAOYSA-N 1 2 364.348 3.480 20 30 FGEDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)oc1C ZINC000437431879 500643572 /nfs/dbraw/zinc/64/35/72/500643572.db2.gz GLPYYJNTOLQTHX-UHFFFAOYSA-N 1 2 364.348 3.480 20 30 FGEDLO N#Cc1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)ccc1OC(F)(F)F ZINC000442947925 500652172 /nfs/dbraw/zinc/65/21/72/500652172.db2.gz WLKKOSDUVUVRGE-UHFFFAOYSA-N 1 2 373.294 3.290 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000438313028 500768219 /nfs/dbraw/zinc/76/82/19/500768219.db2.gz CVLGCJRUNGCQPW-UHFFFAOYSA-N 1 2 372.407 3.162 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434650295 500873108 /nfs/dbraw/zinc/87/31/08/500873108.db2.gz LAXPNOHRPHKASV-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO N#Cc1cnc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c(Cl)c1 ZINC000439250656 500875362 /nfs/dbraw/zinc/87/53/62/500875362.db2.gz UNMAXLXJZNANQS-UHFFFAOYSA-N 1 2 355.760 3.316 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444674848 500876940 /nfs/dbraw/zinc/87/69/40/500876940.db2.gz LUCNGIVVKCAQHX-OAQYLSRUSA-N 1 2 361.489 3.487 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444674848 500876942 /nfs/dbraw/zinc/87/69/42/500876942.db2.gz LUCNGIVVKCAQHX-OAQYLSRUSA-N 1 2 361.489 3.487 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439507 500896948 /nfs/dbraw/zinc/89/69/48/500896948.db2.gz MJHALTTUVZQHQQ-FOIQADDNSA-N 1 2 362.820 3.057 20 30 FGEDLO N#Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439507 500896951 /nfs/dbraw/zinc/89/69/51/500896951.db2.gz MJHALTTUVZQHQQ-FOIQADDNSA-N 1 2 362.820 3.057 20 30 FGEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000439448296 500897685 /nfs/dbraw/zinc/89/76/85/500897685.db2.gz GHVBMJMSFTUGBB-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000439448296 500897687 /nfs/dbraw/zinc/89/76/87/500897687.db2.gz GHVBMJMSFTUGBB-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO CC(C)CC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000435417139 500970530 /nfs/dbraw/zinc/97/05/30/500970530.db2.gz KTOGVKMEPLGCJD-UHFFFAOYSA-N 1 2 356.514 3.458 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000440467871 501010621 /nfs/dbraw/zinc/01/06/21/501010621.db2.gz VZDOCVKXZWJHPB-UHFFFAOYSA-N 1 2 357.845 3.196 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000440467871 501010622 /nfs/dbraw/zinc/01/06/22/501010622.db2.gz VZDOCVKXZWJHPB-UHFFFAOYSA-N 1 2 357.845 3.196 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435889120 501042171 /nfs/dbraw/zinc/04/21/71/501042171.db2.gz RHQQGTWQSANPCY-KUHUBIRLSA-N 1 2 360.454 3.270 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450463360 501127553 /nfs/dbraw/zinc/12/75/53/501127553.db2.gz OMJQORHSQWOLKT-GJZGRUSLSA-N 1 2 373.388 3.096 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450463360 501127554 /nfs/dbraw/zinc/12/75/54/501127554.db2.gz OMJQORHSQWOLKT-GJZGRUSLSA-N 1 2 373.388 3.096 20 30 FGEDLO C=CCC1(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CCCCC1 ZINC000449984461 501145381 /nfs/dbraw/zinc/14/53/81/501145381.db2.gz ICZZKUJGEJLJLM-MRXNPFEDSA-N 1 2 357.502 3.130 20 30 FGEDLO C=CCC1(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CCCCC1 ZINC000449984461 501145388 /nfs/dbraw/zinc/14/53/88/501145388.db2.gz ICZZKUJGEJLJLM-MRXNPFEDSA-N 1 2 357.502 3.130 20 30 FGEDLO C[C@@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000450706843 501190526 /nfs/dbraw/zinc/19/05/26/501190526.db2.gz GQXATMRHNYFGGE-DOTOQJQBSA-N 1 2 371.510 3.181 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)nc1 ZINC000451061211 501242776 /nfs/dbraw/zinc/24/27/76/501242776.db2.gz XRSPIIIHCCLEQA-OAQYLSRUSA-N 1 2 373.460 3.046 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)nc1 ZINC000451061211 501242777 /nfs/dbraw/zinc/24/27/77/501242777.db2.gz XRSPIIIHCCLEQA-OAQYLSRUSA-N 1 2 373.460 3.046 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000455267593 501259013 /nfs/dbraw/zinc/25/90/13/501259013.db2.gz BVUJNGMBUDMMER-RDJZCZTQSA-N 1 2 360.889 3.250 20 30 FGEDLO N#CCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000455703477 501368762 /nfs/dbraw/zinc/36/87/62/501368762.db2.gz MPDRRBKLXUQXJC-AWEZNQCLSA-N 1 2 355.829 3.201 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000455758083 501380377 /nfs/dbraw/zinc/38/03/77/501380377.db2.gz UZHUQNZNRSVIPS-UHFFFAOYSA-N 1 2 358.829 3.349 20 30 FGEDLO CCO[C@@H]1CCCN(c2[nH+]c(C)cc(N3CCC[C@H](OCC)C3)c2C#N)C1 ZINC000596087589 506249498 /nfs/dbraw/zinc/24/94/98/506249498.db2.gz IFSIWFFRQWJNAH-ZWKOTPCHSA-N 1 2 372.513 3.272 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1F ZINC000611674196 506251579 /nfs/dbraw/zinc/25/15/79/506251579.db2.gz SEPPPVJLTOUSIC-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1F ZINC000611674196 506251589 /nfs/dbraw/zinc/25/15/89/506251589.db2.gz SEPPPVJLTOUSIC-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Nc1cccc(CC#N)c1)C2 ZINC000455920029 501415675 /nfs/dbraw/zinc/41/56/75/501415675.db2.gz NDCMIVWDMSUEKC-INIZCTEOSA-N 1 2 351.454 3.383 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458585244 501481216 /nfs/dbraw/zinc/48/12/16/501481216.db2.gz FPXJAVRGSWPVMS-CVEARBPZSA-N 1 2 366.868 3.415 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458585244 501481219 /nfs/dbraw/zinc/48/12/19/501481219.db2.gz FPXJAVRGSWPVMS-CVEARBPZSA-N 1 2 366.868 3.415 20 30 FGEDLO C=CC(C)(C)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000454357796 501522252 /nfs/dbraw/zinc/52/22/52/501522252.db2.gz PIOLBJTUCLLPOA-UHFFFAOYSA-N 1 2 351.248 3.108 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459442919 501655057 /nfs/dbraw/zinc/65/50/57/501655057.db2.gz AOBIWHUQJJRFMV-ZDUSSCGKSA-N 1 2 373.434 3.111 20 30 FGEDLO C=CCC1(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC1 ZINC000455000913 501669552 /nfs/dbraw/zinc/66/95/52/501669552.db2.gz WXMFEIUTQWMFIM-UHFFFAOYSA-N 1 2 358.486 3.485 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000474257980 501763171 /nfs/dbraw/zinc/76/31/71/501763171.db2.gz ONJNPFAIVPUZIO-IBGZPJMESA-N 1 2 350.890 3.213 20 30 FGEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000463872402 501844990 /nfs/dbraw/zinc/84/49/90/501844990.db2.gz OMDAYHDCYHPCAK-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccn1 ZINC000470990418 501885313 /nfs/dbraw/zinc/88/53/13/501885313.db2.gz ASIKCOBEZQZCNE-GOSISDBHSA-N 1 2 356.857 3.126 20 30 FGEDLO CSc1ccccc1C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000471020500 501892739 /nfs/dbraw/zinc/89/27/39/501892739.db2.gz GDGXXFXEISCJPO-UHFFFAOYSA-N 1 2 360.504 3.186 20 30 FGEDLO CSc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000471020500 501892744 /nfs/dbraw/zinc/89/27/44/501892744.db2.gz GDGXXFXEISCJPO-UHFFFAOYSA-N 1 2 360.504 3.186 20 30 FGEDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000467934216 501909181 /nfs/dbraw/zinc/90/91/81/501909181.db2.gz WMINIHVNLSTABE-UHFFFAOYSA-N 1 2 351.431 3.074 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000471166903 501943240 /nfs/dbraw/zinc/94/32/40/501943240.db2.gz YVUASBCXWVRZAJ-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO CC(C)c1oc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)nc1-c1ccccc1 ZINC000471183193 501947954 /nfs/dbraw/zinc/94/79/54/501947954.db2.gz WOKMOXRQFHEYNM-INIZCTEOSA-N 1 2 352.438 3.242 20 30 FGEDLO CC(C)c1oc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)nc1-c1ccccc1 ZINC000471183193 501947958 /nfs/dbraw/zinc/94/79/58/501947958.db2.gz WOKMOXRQFHEYNM-INIZCTEOSA-N 1 2 352.438 3.242 20 30 FGEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000485865447 501966879 /nfs/dbraw/zinc/96/68/79/501966879.db2.gz VEHXNOZHKQPYPY-CYBMUJFWSA-N 1 2 356.388 3.172 20 30 FGEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000485865447 501966882 /nfs/dbraw/zinc/96/68/82/501966882.db2.gz VEHXNOZHKQPYPY-CYBMUJFWSA-N 1 2 356.388 3.172 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468400932 502047591 /nfs/dbraw/zinc/04/75/91/502047591.db2.gz HBLWFVXBIBOMMD-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468400932 502047595 /nfs/dbraw/zinc/04/75/95/502047595.db2.gz HBLWFVXBIBOMMD-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000464864224 502129030 /nfs/dbraw/zinc/12/90/30/502129030.db2.gz IRIJIOPEWILXLD-UHFFFAOYSA-N 1 2 369.490 3.033 20 30 FGEDLO N#Cc1ccc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000479028517 502142442 /nfs/dbraw/zinc/14/24/42/502142442.db2.gz MZWOWSKTNNAYER-UHFFFAOYSA-N 1 2 369.421 3.057 20 30 FGEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000461795424 502204228 /nfs/dbraw/zinc/20/42/28/502204228.db2.gz LHOWDQARSMGTTJ-IFXJQAMLSA-N 1 2 362.408 3.440 20 30 FGEDLO CCOc1cc(N2CC[NH+](CC#Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000482889808 502208832 /nfs/dbraw/zinc/20/88/32/502208832.db2.gz QBHFJZVRFCDCKF-UHFFFAOYSA-N 1 2 365.433 3.167 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479386318 502243068 /nfs/dbraw/zinc/24/30/68/502243068.db2.gz XYHUDICUXCNHPU-CQSZACIVSA-N 1 2 364.380 3.421 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000486786948 502261279 /nfs/dbraw/zinc/26/12/79/502261279.db2.gz IKGNFKBFPFNTIT-ZIAGYGMSSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057770 502281077 /nfs/dbraw/zinc/28/10/77/502281077.db2.gz TZICOJDYDDUSRG-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057770 502281081 /nfs/dbraw/zinc/28/10/81/502281081.db2.gz TZICOJDYDDUSRG-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057770 502281084 /nfs/dbraw/zinc/28/10/84/502281084.db2.gz TZICOJDYDDUSRG-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO Cn1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000469216527 502339768 /nfs/dbraw/zinc/33/97/68/502339768.db2.gz SJAJEAGFQAXPOM-UHFFFAOYSA-N 1 2 370.416 3.299 20 30 FGEDLO C=CCCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000472735998 502428031 /nfs/dbraw/zinc/42/80/31/502428031.db2.gz MTTUCUBNLPOSJR-UHFFFAOYSA-N 1 2 370.518 3.300 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476392842 502478235 /nfs/dbraw/zinc/47/82/35/502478235.db2.gz PCNLENQZFQZADS-GOSISDBHSA-N 1 2 364.449 3.253 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476635344 502546249 /nfs/dbraw/zinc/54/62/49/502546249.db2.gz MTKGGZKFDFBYPT-UHFFFAOYSA-N 1 2 359.376 3.473 20 30 FGEDLO C(#Cc1ccccc1)C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000484076836 502564263 /nfs/dbraw/zinc/56/42/63/502564263.db2.gz UXLMYEUNTFQNKS-UHFFFAOYSA-N 1 2 354.457 3.317 20 30 FGEDLO CC(C)(C#N)S(=O)(=O)c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000592987481 506324490 /nfs/dbraw/zinc/32/44/90/506324490.db2.gz VRVBEGPAIICCRT-UHFFFAOYSA-N 1 2 355.463 3.425 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854259 506326842 /nfs/dbraw/zinc/32/68/42/506326842.db2.gz AXHDVYDVUYEZKE-FJIDUMEYSA-N 1 2 356.514 3.445 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854259 506326855 /nfs/dbraw/zinc/32/68/55/506326855.db2.gz AXHDVYDVUYEZKE-FJIDUMEYSA-N 1 2 356.514 3.445 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477054590 502663298 /nfs/dbraw/zinc/66/32/98/502663298.db2.gz BKSPDGCFEPUFCA-NRFANRHFSA-N 1 2 357.413 3.403 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477054590 502663302 /nfs/dbraw/zinc/66/33/02/502663302.db2.gz BKSPDGCFEPUFCA-NRFANRHFSA-N 1 2 357.413 3.403 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466826583 502696765 /nfs/dbraw/zinc/69/67/65/502696765.db2.gz QBEDSARBNSMAEJ-UHFFFAOYSA-N 1 2 373.460 3.187 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000484673056 502703910 /nfs/dbraw/zinc/70/39/10/502703910.db2.gz QJGSCZAYJWCTHS-CYBMUJFWSA-N 1 2 363.458 3.411 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000484673056 502703912 /nfs/dbraw/zinc/70/39/12/502703912.db2.gz QJGSCZAYJWCTHS-CYBMUJFWSA-N 1 2 363.458 3.411 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000473833212 502717502 /nfs/dbraw/zinc/71/75/02/502717502.db2.gz DLAREWLBAHSCMH-IBGZPJMESA-N 1 2 350.528 3.184 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866655 506331402 /nfs/dbraw/zinc/33/14/02/506331402.db2.gz WYXDKSRZIXNKQL-XQQFMLRXSA-N 1 2 369.296 3.239 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866655 506331405 /nfs/dbraw/zinc/33/14/05/506331405.db2.gz WYXDKSRZIXNKQL-XQQFMLRXSA-N 1 2 369.296 3.239 20 30 FGEDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000488574661 502754397 /nfs/dbraw/zinc/75/43/97/502754397.db2.gz RPTMFGZKVYZRCP-LIRRHRJNSA-N 1 2 353.853 3.488 20 30 FGEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000513058137 502840903 /nfs/dbraw/zinc/84/09/03/502840903.db2.gz OLVSHDUCEJCMQP-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000513058137 502840908 /nfs/dbraw/zinc/84/09/08/502840908.db2.gz OLVSHDUCEJCMQP-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513410788 502931320 /nfs/dbraw/zinc/93/13/20/502931320.db2.gz GWIVPXRJRKLZHI-NRFANRHFSA-N 1 2 363.461 3.094 20 30 FGEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513410788 502931323 /nfs/dbraw/zinc/93/13/23/502931323.db2.gz GWIVPXRJRKLZHI-NRFANRHFSA-N 1 2 363.461 3.094 20 30 FGEDLO Cc1ccc(Cl)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000509662861 502961020 /nfs/dbraw/zinc/96/10/20/502961020.db2.gz GWROWIWRDFATTM-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000505745313 502977344 /nfs/dbraw/zinc/97/73/44/502977344.db2.gz KYOHGGIYSQXHJS-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910925 506347475 /nfs/dbraw/zinc/34/74/75/506347475.db2.gz GOTDYFFWFYUTBK-ZDUSSCGKSA-N 1 2 370.403 3.438 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510347089 503097025 /nfs/dbraw/zinc/09/70/25/503097025.db2.gz GTVSUEUNRASYIR-QGZVFWFLSA-N 1 2 369.425 3.177 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000490046649 503098348 /nfs/dbraw/zinc/09/83/48/503098348.db2.gz UWKNWMFTELEHMY-QGZVFWFLSA-N 1 2 363.889 3.302 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000490046649 503098350 /nfs/dbraw/zinc/09/83/50/503098350.db2.gz UWKNWMFTELEHMY-QGZVFWFLSA-N 1 2 363.889 3.302 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1OC(C)C ZINC000498114923 503109923 /nfs/dbraw/zinc/10/99/23/503109923.db2.gz PJAJEMQTKUGAKR-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333273 503181667 /nfs/dbraw/zinc/18/16/67/503181667.db2.gz NMFZKGKNJVSAPB-LEWJYISDSA-N 1 2 369.509 3.249 20 30 FGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333273 503181673 /nfs/dbraw/zinc/18/16/73/503181673.db2.gz NMFZKGKNJVSAPB-LEWJYISDSA-N 1 2 369.509 3.249 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000510916798 503217345 /nfs/dbraw/zinc/21/73/45/503217345.db2.gz NMJTZKWUZJGEKF-HNNXBMFYSA-N 1 2 367.371 3.111 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000510934592 503219992 /nfs/dbraw/zinc/21/99/92/503219992.db2.gz GQPVVXAHWQGMQA-SFHVURJKSA-N 1 2 357.454 3.281 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593053104 506360652 /nfs/dbraw/zinc/36/06/52/506360652.db2.gz YWAYNTXFTOPVJT-INIZCTEOSA-N 1 2 351.450 3.313 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593053104 506360658 /nfs/dbraw/zinc/36/06/58/506360658.db2.gz YWAYNTXFTOPVJT-INIZCTEOSA-N 1 2 351.450 3.313 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511180966 503275295 /nfs/dbraw/zinc/27/52/95/503275295.db2.gz HCJFQVRGIPUIKF-UHFFFAOYSA-N 1 2 368.264 3.094 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511180966 503275298 /nfs/dbraw/zinc/27/52/98/503275298.db2.gz HCJFQVRGIPUIKF-UHFFFAOYSA-N 1 2 368.264 3.094 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1C ZINC000498912714 503290617 /nfs/dbraw/zinc/29/06/17/503290617.db2.gz MTJFNUOGOUBMJG-UHFFFAOYSA-N 1 2 371.525 3.341 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1C ZINC000498912714 503290620 /nfs/dbraw/zinc/29/06/20/503290620.db2.gz MTJFNUOGOUBMJG-UHFFFAOYSA-N 1 2 371.525 3.341 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1C ZINC000515365319 503324802 /nfs/dbraw/zinc/32/48/02/503324802.db2.gz XCFJRWMMBSRNHC-CQSZACIVSA-N 1 2 371.510 3.051 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cnn1C ZINC000515365319 503324805 /nfs/dbraw/zinc/32/48/05/503324805.db2.gz XCFJRWMMBSRNHC-CQSZACIVSA-N 1 2 371.510 3.051 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000515486562 503349243 /nfs/dbraw/zinc/34/92/43/503349243.db2.gz BCIDHQFLQUFMRL-SFHVURJKSA-N 1 2 358.829 3.101 20 30 FGEDLO COc1cccc([C@H](C)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000507731489 503357842 /nfs/dbraw/zinc/35/78/42/503357842.db2.gz JKCNQGSQCPCRSG-SFHVURJKSA-N 1 2 365.477 3.324 20 30 FGEDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507785336 503365842 /nfs/dbraw/zinc/36/58/42/503365842.db2.gz ROVBOXYEBWCXHP-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493106062 503407071 /nfs/dbraw/zinc/40/70/71/503407071.db2.gz SHXHTZBZJZTUAM-BEFAXECRSA-N 1 2 360.417 3.297 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C ZINC000499672732 503454710 /nfs/dbraw/zinc/45/47/10/503454710.db2.gz TUABOEMXXZPGTF-OAHLLOKOSA-N 1 2 353.422 3.005 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000512182317 503479130 /nfs/dbraw/zinc/47/91/30/503479130.db2.gz RJPSZEZDRHLQNB-MRXNPFEDSA-N 1 2 374.456 3.336 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000512182317 503479135 /nfs/dbraw/zinc/47/91/35/503479135.db2.gz RJPSZEZDRHLQNB-MRXNPFEDSA-N 1 2 374.456 3.336 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(CO)o1 ZINC000512224175 503491536 /nfs/dbraw/zinc/49/15/36/503491536.db2.gz AAIAGFCCUDZZQU-UHFFFAOYSA-N 1 2 354.450 3.277 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(CO)o1 ZINC000512224175 503491541 /nfs/dbraw/zinc/49/15/41/503491541.db2.gz AAIAGFCCUDZZQU-UHFFFAOYSA-N 1 2 354.450 3.277 20 30 FGEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000499959583 503522349 /nfs/dbraw/zinc/52/23/49/503522349.db2.gz XZGWROYKHXFHTM-MEDUHNTESA-N 1 2 361.804 3.001 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504413328 503570835 /nfs/dbraw/zinc/57/08/35/503570835.db2.gz JGTCXGUXFOZTNH-XJKSGUPXSA-N 1 2 364.287 3.204 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512507385 503572802 /nfs/dbraw/zinc/57/28/02/503572802.db2.gz YZFNFBPFXKUSAP-UHFFFAOYSA-N 1 2 369.469 3.190 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512507385 503572804 /nfs/dbraw/zinc/57/28/04/503572804.db2.gz YZFNFBPFXKUSAP-UHFFFAOYSA-N 1 2 369.469 3.190 20 30 FGEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508895850 503592444 /nfs/dbraw/zinc/59/24/44/503592444.db2.gz PYVSZUBVIZZXBP-SFHVURJKSA-N 1 2 361.440 3.324 20 30 FGEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000508910992 503597997 /nfs/dbraw/zinc/59/79/97/503597997.db2.gz GJJFDUMWIOIOQU-UHFFFAOYSA-N 1 2 373.476 3.057 20 30 FGEDLO Cc1nc(NC(=O)Cn2c(C)[nH+]c3ccccc32)sc1SCC#N ZINC000504780099 503614459 /nfs/dbraw/zinc/61/44/59/503614459.db2.gz XREWDUQRWAYVCF-UHFFFAOYSA-N 1 2 357.464 3.364 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512922716 503657300 /nfs/dbraw/zinc/65/73/00/503657300.db2.gz LTSJAFVALHAQTK-KRWDZBQOSA-N 1 2 364.440 3.293 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(O)c4ccccc4c3)CC2)cc1 ZINC000527445173 503791194 /nfs/dbraw/zinc/79/11/94/503791194.db2.gz YYIZLYNFJZVDIX-UHFFFAOYSA-N 1 2 371.440 3.375 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000543545430 503808537 /nfs/dbraw/zinc/80/85/37/503808537.db2.gz QTZCSSBPIQEQDW-UONOGXRCSA-N 1 2 367.515 3.092 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000537130131 503811406 /nfs/dbraw/zinc/81/14/06/503811406.db2.gz WWUWZPHWFYDRGY-INIZCTEOSA-N 1 2 352.265 3.381 20 30 FGEDLO Cc1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cc(C#N)n1 ZINC000517723363 503817675 /nfs/dbraw/zinc/81/76/75/503817675.db2.gz BSQOBZXQLSIDOA-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CCCC(C#N)(CCC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000546795643 503881698 /nfs/dbraw/zinc/88/16/98/503881698.db2.gz PUUYGLRWSGZVLG-UHFFFAOYSA-N 1 2 360.483 3.072 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000527687631 503896038 /nfs/dbraw/zinc/89/60/38/503896038.db2.gz SZIPYXHUJGXKGQ-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000533699021 503926451 /nfs/dbraw/zinc/92/64/51/503926451.db2.gz BWAIXRWJWBVXBH-NRFANRHFSA-N 1 2 355.441 3.450 20 30 FGEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518351959 503960504 /nfs/dbraw/zinc/96/05/04/503960504.db2.gz IPEHEMOCTXXRPK-UHFFFAOYSA-N 1 2 359.389 3.459 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000541023946 503978537 /nfs/dbraw/zinc/97/85/37/503978537.db2.gz SCGMDIZMVJGBAB-NSHDSACASA-N 1 2 350.806 3.201 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480143 503980724 /nfs/dbraw/zinc/98/07/24/503980724.db2.gz VVGVMZLEHHQZBV-SFHVURJKSA-N 1 2 360.465 3.330 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC34CCCCC4)CC2)cc1 ZINC000537795110 504045464 /nfs/dbraw/zinc/04/54/64/504045464.db2.gz LASOJYCHHPUOJS-IBGZPJMESA-N 1 2 352.482 3.108 20 30 FGEDLO COC(=O)c1oc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000538095418 504131990 /nfs/dbraw/zinc/13/19/90/504131990.db2.gz ORUKOWYZQSPQHQ-INIZCTEOSA-N 1 2 367.449 3.125 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000538095418 504131993 /nfs/dbraw/zinc/13/19/93/504131993.db2.gz ORUKOWYZQSPQHQ-INIZCTEOSA-N 1 2 367.449 3.125 20 30 FGEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000547753626 504212197 /nfs/dbraw/zinc/21/21/97/504212197.db2.gz WLAIKMOUKHNMLE-MAUKXSAKSA-N 1 2 354.853 3.059 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700536 504226181 /nfs/dbraw/zinc/22/61/81/504226181.db2.gz RFICFUMMPLVYAV-HXUWFJFHSA-N 1 2 366.461 3.279 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541700536 504226185 /nfs/dbraw/zinc/22/61/85/504226185.db2.gz RFICFUMMPLVYAV-HXUWFJFHSA-N 1 2 366.461 3.279 20 30 FGEDLO CC(C)CCc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000531422714 504301548 /nfs/dbraw/zinc/30/15/48/504301548.db2.gz QIDOCWZSHYENJF-UHFFFAOYSA-N 1 2 372.513 3.355 20 30 FGEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000528672396 504323656 /nfs/dbraw/zinc/32/36/56/504323656.db2.gz IKKFSGDVQMWVCZ-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1OC ZINC000538805311 504377936 /nfs/dbraw/zinc/37/79/36/504377936.db2.gz PQGFZUJJUAZOFW-AWEZNQCLSA-N 1 2 358.404 3.328 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1OC ZINC000538805311 504377938 /nfs/dbraw/zinc/37/79/38/504377938.db2.gz PQGFZUJJUAZOFW-AWEZNQCLSA-N 1 2 358.404 3.328 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548492930 504465738 /nfs/dbraw/zinc/46/57/38/504465738.db2.gz KZYNVKYBLMJPRZ-KSFYIVLOSA-N 1 2 361.445 3.407 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548492930 504465742 /nfs/dbraw/zinc/46/57/42/504465742.db2.gz KZYNVKYBLMJPRZ-KSFYIVLOSA-N 1 2 361.445 3.407 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000539300383 504524104 /nfs/dbraw/zinc/52/41/04/504524104.db2.gz FCVLMHSMDQKELX-UHFFFAOYSA-N 1 2 366.450 3.003 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000520819636 504589472 /nfs/dbraw/zinc/58/94/72/504589472.db2.gz HJIIECBASRSRNH-IBGZPJMESA-N 1 2 359.376 3.331 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NC[C@H](C)C#N)cc1 ZINC000542875750 504643751 /nfs/dbraw/zinc/64/37/51/504643751.db2.gz QLLGVABHIRFYOV-QGZVFWFLSA-N 1 2 369.469 3.043 20 30 FGEDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000549033007 504662131 /nfs/dbraw/zinc/66/21/31/504662131.db2.gz AULZCAATHWMQHW-NRFANRHFSA-N 1 2 362.433 3.352 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549079019 504676330 /nfs/dbraw/zinc/67/63/30/504676330.db2.gz SMZQDGJOYQDQKC-WBVHZDCISA-N 1 2 365.424 3.252 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549079019 504676336 /nfs/dbraw/zinc/67/63/36/504676336.db2.gz SMZQDGJOYQDQKC-WBVHZDCISA-N 1 2 365.424 3.252 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3cccc(C#N)n3)[nH+]c12 ZINC000546051426 504689019 /nfs/dbraw/zinc/68/90/19/504689019.db2.gz SAHNAXCNCAKWKX-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO C=CC[C@H]1N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCCC1(C)C ZINC000521321803 504709730 /nfs/dbraw/zinc/70/97/30/504709730.db2.gz JAINFFLKKJSBKB-LJQANCHMSA-N 1 2 357.498 3.121 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccsc3Br)C2)nc1 ZINC000529573113 504733359 /nfs/dbraw/zinc/73/33/59/504733359.db2.gz DUOOOGRKIVRHFK-ZDUSSCGKSA-N 1 2 364.268 3.431 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccsc3Br)C2)nc1 ZINC000529573113 504733362 /nfs/dbraw/zinc/73/33/62/504733362.db2.gz DUOOOGRKIVRHFK-ZDUSSCGKSA-N 1 2 364.268 3.431 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000556107280 504798455 /nfs/dbraw/zinc/79/84/55/504798455.db2.gz DZMRBLYJLWQSLI-MRXNPFEDSA-N 1 2 364.287 3.182 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000556107280 504798457 /nfs/dbraw/zinc/79/84/57/504798457.db2.gz DZMRBLYJLWQSLI-MRXNPFEDSA-N 1 2 364.287 3.182 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1O ZINC000559928451 504952551 /nfs/dbraw/zinc/95/25/51/504952551.db2.gz KKDWLACAKHEXLO-UHFFFAOYSA-N 1 2 355.413 3.124 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000565695215 504960874 /nfs/dbraw/zinc/96/08/74/504960874.db2.gz VIYBARXKYZSLIS-LEOMRAHMSA-N 1 2 351.454 3.139 20 30 FGEDLO N#CC1CCC(CNc2cc(NCC3CCC(C#N)CC3)[nH+]cn2)CC1 ZINC000565754522 504977830 /nfs/dbraw/zinc/97/78/30/504977830.db2.gz PFXVTSRKCXVGFU-UHFFFAOYSA-N 1 2 352.486 3.382 20 30 FGEDLO C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000556927449 505020409 /nfs/dbraw/zinc/02/04/09/505020409.db2.gz MPCYUTLJWDPGBM-KBXCAEBGSA-N 1 2 352.413 3.035 20 30 FGEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000557102549 505065766 /nfs/dbraw/zinc/06/57/66/505065766.db2.gz IVVBEVKPPFUCOL-CVDCTZTESA-N 1 2 374.484 3.022 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1 ZINC000566414346 505168146 /nfs/dbraw/zinc/16/81/46/505168146.db2.gz OBZLQUIADRRCLL-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1 ZINC000566414346 505168148 /nfs/dbraw/zinc/16/81/48/505168148.db2.gz OBZLQUIADRRCLL-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO C=CCn1c(CC2CCCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000554618563 505224529 /nfs/dbraw/zinc/22/45/29/505224529.db2.gz MMXVHQHIKUDPTG-UHFFFAOYSA-N 1 2 366.513 3.309 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000566891995 505302731 /nfs/dbraw/zinc/30/27/31/505302731.db2.gz YJMSPLJFUBOJJV-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000566891995 505302736 /nfs/dbraw/zinc/30/27/36/505302736.db2.gz YJMSPLJFUBOJJV-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1OC ZINC000558571699 505426613 /nfs/dbraw/zinc/42/66/13/505426613.db2.gz LXKGVZYZRLNRHH-UHFFFAOYSA-N 1 2 372.494 3.053 20 30 FGEDLO N#CC1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000555862859 505529109 /nfs/dbraw/zinc/52/91/09/505529109.db2.gz RVKOCRZDLYZYIU-HNNXBMFYSA-N 1 2 362.271 3.006 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OCC23CCC3)c1C ZINC000593094235 506389354 /nfs/dbraw/zinc/38/93/54/506389354.db2.gz YEZCLXVDAYWXBM-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OCC23CCC3)c1C ZINC000593094235 506389362 /nfs/dbraw/zinc/38/93/62/506389362.db2.gz YEZCLXVDAYWXBM-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2n1C ZINC000603154412 506441075 /nfs/dbraw/zinc/44/10/75/506441075.db2.gz FPCGHTICJHWHRM-IBGZPJMESA-N 1 2 373.460 3.104 20 30 FGEDLO N#Cc1ccc(C[S@](=O)Cc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000593201753 506461381 /nfs/dbraw/zinc/46/13/81/506461381.db2.gz CVAPPFFMVNWONP-QHCPKHFHSA-N 1 2 361.776 3.419 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589187360 506474725 /nfs/dbraw/zinc/47/47/25/506474725.db2.gz YRQJVJUHNLKSFO-AWEZNQCLSA-N 1 2 369.852 3.436 20 30 FGEDLO COc1cccc2c1C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000599644953 506547269 /nfs/dbraw/zinc/54/72/69/506547269.db2.gz KTCBZASUODXLNG-UHFFFAOYSA-N 1 2 367.474 3.461 20 30 FGEDLO COc1cccc2c1C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000599644953 506547273 /nfs/dbraw/zinc/54/72/73/506547273.db2.gz KTCBZASUODXLNG-UHFFFAOYSA-N 1 2 367.474 3.461 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589477542 506564092 /nfs/dbraw/zinc/56/40/92/506564092.db2.gz ATFAADWILLKFAU-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589477542 506564098 /nfs/dbraw/zinc/56/40/98/506564098.db2.gz ATFAADWILLKFAU-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c1C#N ZINC000589520669 506577231 /nfs/dbraw/zinc/57/72/31/506577231.db2.gz PMFLRZFKFNITHA-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000599685255 506581122 /nfs/dbraw/zinc/58/11/22/506581122.db2.gz CCFHJYJFJASLNB-QFIPXVFZSA-N 1 2 359.473 3.305 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000599685255 506581125 /nfs/dbraw/zinc/58/11/25/506581125.db2.gz CCFHJYJFJASLNB-QFIPXVFZSA-N 1 2 359.473 3.305 20 30 FGEDLO N#CC1(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000593394199 506596867 /nfs/dbraw/zinc/59/68/67/506596867.db2.gz MUBIELNUZCCBHK-UHFFFAOYSA-N 1 2 360.889 3.081 20 30 FGEDLO N#CC1(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCCC1 ZINC000593394199 506596871 /nfs/dbraw/zinc/59/68/71/506596871.db2.gz MUBIELNUZCCBHK-UHFFFAOYSA-N 1 2 360.889 3.081 20 30 FGEDLO CC[C@@H](C#N)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000593480863 506643737 /nfs/dbraw/zinc/64/37/37/506643737.db2.gz GWPPVIWVBLRTOO-INIZCTEOSA-N 1 2 357.502 3.276 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590031765 506711198 /nfs/dbraw/zinc/71/11/98/506711198.db2.gz NDBULGHOSLQFTK-INIZCTEOSA-N 1 2 369.490 3.018 20 30 FGEDLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000596989555 506716755 /nfs/dbraw/zinc/71/67/55/506716755.db2.gz SGOPNCMWCMBBOW-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583404623 506759694 /nfs/dbraw/zinc/75/96/94/506759694.db2.gz DAKXCVOBTAWYEF-INIZCTEOSA-N 1 2 368.485 3.260 20 30 FGEDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583404623 506759702 /nfs/dbraw/zinc/75/97/02/506759702.db2.gz DAKXCVOBTAWYEF-INIZCTEOSA-N 1 2 368.485 3.260 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c1C#N ZINC000597132198 506794868 /nfs/dbraw/zinc/79/48/68/506794868.db2.gz DUVSYGLYPTYNBY-UHFFFAOYSA-N 1 2 363.490 3.201 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 ZINC000609161910 506798927 /nfs/dbraw/zinc/79/89/27/506798927.db2.gz RHLKNILKCRJTSE-HXUWFJFHSA-N 1 2 369.428 3.418 20 30 FGEDLO N#CCn1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc2ccccc21 ZINC000609165278 506800732 /nfs/dbraw/zinc/80/07/32/506800732.db2.gz LEXNIVFZQUYQLU-UHFFFAOYSA-N 1 2 374.444 3.249 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000613016049 506866095 /nfs/dbraw/zinc/86/60/95/506866095.db2.gz BAGJKPJXVBAFDF-LJQANCHMSA-N 1 2 364.449 3.011 20 30 FGEDLO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609486723 506896766 /nfs/dbraw/zinc/89/67/66/506896766.db2.gz PVOXLVIBYPTFPG-HLAWJBBLSA-N 1 2 370.541 3.198 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609518219 506907332 /nfs/dbraw/zinc/90/73/32/506907332.db2.gz NKJBQFVVCFEOGA-SFHVURJKSA-N 1 2 352.438 3.168 20 30 FGEDLO C[C@H](CC#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000597456330 506961647 /nfs/dbraw/zinc/96/16/47/506961647.db2.gz AYLKFVMSSXSUKS-CYBMUJFWSA-N 1 2 354.281 3.230 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597513827 506985595 /nfs/dbraw/zinc/98/55/95/506985595.db2.gz KXNSWZQTVALUHJ-GFCCVEGCSA-N 1 2 361.417 3.417 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)NC3(c4ccc(C#N)cc4)CCC3)cn2c1 ZINC000594217389 507017248 /nfs/dbraw/zinc/01/72/48/507017248.db2.gz UZYNWOINSQKKMH-UHFFFAOYSA-N 1 2 359.433 3.393 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411902 507076292 /nfs/dbraw/zinc/07/62/92/507076292.db2.gz WBCCCURKKHTTQG-UHFFFAOYSA-N 1 2 353.470 3.178 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000594347479 507088289 /nfs/dbraw/zinc/08/82/89/507088289.db2.gz BSKSGNIWMOECSZ-CABCVRRESA-N 1 2 362.355 3.131 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083439 507105546 /nfs/dbraw/zinc/10/55/46/507105546.db2.gz VXCYKALFEBPANA-MRXNPFEDSA-N 1 2 356.495 3.437 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083439 507105554 /nfs/dbraw/zinc/10/55/54/507105554.db2.gz VXCYKALFEBPANA-MRXNPFEDSA-N 1 2 356.495 3.437 20 30 FGEDLO Cc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000610129509 507110952 /nfs/dbraw/zinc/11/09/52/507110952.db2.gz BMUKKUSBDFSOOT-OAQYLSRUSA-N 1 2 373.460 3.295 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304383 507186293 /nfs/dbraw/zinc/18/62/93/507186293.db2.gz XOGWUCTXQYKFPH-QFBILLFUSA-N 1 2 374.444 3.159 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)ccc2n1C ZINC000610310365 507187806 /nfs/dbraw/zinc/18/78/06/507187806.db2.gz YFPVMMORLSBEHZ-UHFFFAOYSA-N 1 2 363.421 3.042 20 30 FGEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H](C)CO1 ZINC000597998764 507210810 /nfs/dbraw/zinc/21/08/10/507210810.db2.gz QTPPGAFRGHSSPC-DLBZAZTESA-N 1 2 363.461 3.064 20 30 FGEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H](C)CO1 ZINC000597998764 507210818 /nfs/dbraw/zinc/21/08/18/507210818.db2.gz QTPPGAFRGHSSPC-DLBZAZTESA-N 1 2 363.461 3.064 20 30 FGEDLO C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000610403620 507227678 /nfs/dbraw/zinc/22/76/78/507227678.db2.gz XADPUCADWZCRQE-ACJLOTCBSA-N 1 2 372.419 3.500 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)o2)c1 ZINC000610433078 507237146 /nfs/dbraw/zinc/23/71/46/507237146.db2.gz VURKWZZMIWHQNV-LJQANCHMSA-N 1 2 370.416 3.336 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)nc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000601101436 507261814 /nfs/dbraw/zinc/26/18/14/507261814.db2.gz RFFLIAICFFTZFY-QGZVFWFLSA-N 1 2 364.840 3.236 20 30 FGEDLO N#CCc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000601148807 507277653 /nfs/dbraw/zinc/27/76/53/507277653.db2.gz AOGANUJYUDPTKN-MRXNPFEDSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000601148807 507277659 /nfs/dbraw/zinc/27/76/59/507277659.db2.gz AOGANUJYUDPTKN-MRXNPFEDSA-N 1 2 369.415 3.425 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601371242 507346956 /nfs/dbraw/zinc/34/69/56/507346956.db2.gz DMSXBUJMQKSZTD-HZPDHXFCSA-N 1 2 361.848 3.424 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601371242 507346960 /nfs/dbraw/zinc/34/69/60/507346960.db2.gz DMSXBUJMQKSZTD-HZPDHXFCSA-N 1 2 361.848 3.424 20 30 FGEDLO N#CCc1ccccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000601514253 507377937 /nfs/dbraw/zinc/37/79/37/507377937.db2.gz WUPZCKXBSJPVMD-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO N#CCc1ccccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000601514253 507377946 /nfs/dbraw/zinc/37/79/46/507377946.db2.gz WUPZCKXBSJPVMD-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432735 507400389 /nfs/dbraw/zinc/40/03/89/507400389.db2.gz YKHKTTMBJDJODM-FQEVSTJZSA-N 1 2 358.461 3.005 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432735 507400393 /nfs/dbraw/zinc/40/03/93/507400393.db2.gz YKHKTTMBJDJODM-FQEVSTJZSA-N 1 2 358.461 3.005 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990588 507470120 /nfs/dbraw/zinc/47/01/20/507470120.db2.gz BRCLDUOKEJULHG-CQSZACIVSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990588 507470124 /nfs/dbraw/zinc/47/01/24/507470124.db2.gz BRCLDUOKEJULHG-CQSZACIVSA-N 1 2 358.486 3.141 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(OC)cc1 ZINC000614352545 507474759 /nfs/dbraw/zinc/47/47/59/507474759.db2.gz IQAKMBGARWYERO-UHFFFAOYSA-N 1 2 352.478 3.351 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1ccc(OC)cc1 ZINC000614352545 507474766 /nfs/dbraw/zinc/47/47/66/507474766.db2.gz IQAKMBGARWYERO-UHFFFAOYSA-N 1 2 352.478 3.351 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151042 507509182 /nfs/dbraw/zinc/50/91/82/507509182.db2.gz JOQQXHZXBAEILV-GHTZIAJQSA-N 1 2 360.417 3.176 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151042 507509190 /nfs/dbraw/zinc/50/91/90/507509190.db2.gz JOQQXHZXBAEILV-GHTZIAJQSA-N 1 2 360.417 3.176 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000606833151 507523574 /nfs/dbraw/zinc/52/35/74/507523574.db2.gz ZXRXIFTUNNDNHA-GFCCVEGCSA-N 1 2 353.344 3.285 20 30 FGEDLO N#CCCC1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000592221836 507540900 /nfs/dbraw/zinc/54/09/00/507540900.db2.gz KOBNIKUJWNUGKQ-UHFFFAOYSA-N 1 2 356.470 3.066 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609197 507588361 /nfs/dbraw/zinc/58/83/61/507588361.db2.gz HUFCEUUJXYHPET-ZDUSSCGKSA-N 1 2 363.483 3.051 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609197 507588362 /nfs/dbraw/zinc/58/83/62/507588362.db2.gz HUFCEUUJXYHPET-ZDUSSCGKSA-N 1 2 363.483 3.051 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618208 507593575 /nfs/dbraw/zinc/59/35/75/507593575.db2.gz YYXCMWCDKMRDBW-NEPJUHHUSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618208 507593580 /nfs/dbraw/zinc/59/35/80/507593580.db2.gz YYXCMWCDKMRDBW-NEPJUHHUSA-N 1 2 350.806 3.201 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC1(C#N)CCCCC1 ZINC000595653843 507616547 /nfs/dbraw/zinc/61/65/47/507616547.db2.gz QDZJXFYRAAKPPW-SFHVURJKSA-N 1 2 365.481 3.477 20 30 FGEDLO Cc1cn2ccc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2[nH+]1 ZINC000602184110 507620164 /nfs/dbraw/zinc/62/01/64/507620164.db2.gz SMOXIVFSPNBXSW-UHFFFAOYSA-N 1 2 359.433 3.231 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC000598836132 507629255 /nfs/dbraw/zinc/62/92/55/507629255.db2.gz AYGQXMFHYCVIFX-HXUWFJFHSA-N 1 2 373.403 3.117 20 30 FGEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000614925037 507694438 /nfs/dbraw/zinc/69/44/38/507694438.db2.gz SIGCNHOEIJMCKO-MRXNPFEDSA-N 1 2 366.343 3.152 20 30 FGEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000614925037 507694444 /nfs/dbraw/zinc/69/44/44/507694444.db2.gz SIGCNHOEIJMCKO-MRXNPFEDSA-N 1 2 366.343 3.152 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832198 507706887 /nfs/dbraw/zinc/70/68/87/507706887.db2.gz SQNISINFTAPHHG-MRXNPFEDSA-N 1 2 355.463 3.328 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832198 507706894 /nfs/dbraw/zinc/70/68/94/507706894.db2.gz SQNISINFTAPHHG-MRXNPFEDSA-N 1 2 355.463 3.328 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611551441 507734007 /nfs/dbraw/zinc/73/40/07/507734007.db2.gz QMOTYYNUOMDMIX-IBGZPJMESA-N 1 2 354.385 3.116 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000595920385 507746818 /nfs/dbraw/zinc/74/68/18/507746818.db2.gz PHFNTGKFOFXVBD-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000595920385 507746821 /nfs/dbraw/zinc/74/68/21/507746821.db2.gz PHFNTGKFOFXVBD-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000479981693 561200633 /nfs/dbraw/zinc/20/06/33/561200633.db2.gz GNLVRLZFTNRIRJ-HZPDHXFCSA-N 1 2 367.497 3.005 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)c(F)cc1F ZINC000823914639 608632401 /nfs/dbraw/zinc/63/24/01/608632401.db2.gz KNEUBVVKELMCIW-UHFFFAOYSA-N 1 2 359.355 3.472 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)c(F)cc1F ZINC000823914639 608632404 /nfs/dbraw/zinc/63/24/04/608632404.db2.gz KNEUBVVKELMCIW-UHFFFAOYSA-N 1 2 359.355 3.472 20 30 FGEDLO C=CCn1c(C2CC2)nn(CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121658259 700677244 /nfs/dbraw/zinc/67/72/44/700677244.db2.gz PVBWVEAKBBWRGX-HOCLYGCPSA-N 1 2 358.515 3.215 20 30 FGEDLO C#CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125916679 700741381 /nfs/dbraw/zinc/74/13/81/700741381.db2.gz MJNRSCXHYPMREL-MRXNPFEDSA-N 1 2 357.475 3.295 20 30 FGEDLO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125916679 700741383 /nfs/dbraw/zinc/74/13/83/700741383.db2.gz MJNRSCXHYPMREL-MRXNPFEDSA-N 1 2 357.475 3.295 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330082627 713833815 /nfs/dbraw/zinc/83/38/15/713833815.db2.gz KIXBCQPOJWLTHL-JKSUJKDBSA-N 1 2 370.852 3.112 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330082627 713833818 /nfs/dbraw/zinc/83/38/18/713833818.db2.gz KIXBCQPOJWLTHL-JKSUJKDBSA-N 1 2 370.852 3.112 20 30 FGEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330215376 713834899 /nfs/dbraw/zinc/83/48/99/713834899.db2.gz GYNZUBKKUSRYPC-KGLIPLIRSA-N 1 2 350.532 3.237 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374806532 713945026 /nfs/dbraw/zinc/94/50/26/713945026.db2.gz MPKSWXDBQDZRQK-GOSISDBHSA-N 1 2 355.825 3.089 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374806532 713945027 /nfs/dbraw/zinc/94/50/27/713945027.db2.gz MPKSWXDBQDZRQK-GOSISDBHSA-N 1 2 355.825 3.089 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1cccs1 ZINC000524754016 714300163 /nfs/dbraw/zinc/30/01/63/714300163.db2.gz BFKSBTYTWZDFAL-UHFFFAOYSA-N 1 2 362.470 3.413 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1cccs1 ZINC000524754016 714300166 /nfs/dbraw/zinc/30/01/66/714300166.db2.gz BFKSBTYTWZDFAL-UHFFFAOYSA-N 1 2 362.470 3.413 20 30 FGEDLO N#Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000619765546 714868727 /nfs/dbraw/zinc/86/87/27/714868727.db2.gz NQCKFUZMLGDGDW-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000779162153 724397236 /nfs/dbraw/zinc/39/72/36/724397236.db2.gz UXIHENFQZZWGQP-INIZCTEOSA-N 1 2 361.791 3.487 20 30 FGEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1 ZINC000625704088 715775678 /nfs/dbraw/zinc/77/56/78/715775678.db2.gz NPQWKQLRXJQJIB-CQSZACIVSA-N 1 2 360.458 3.005 20 30 FGEDLO C=CC[C@@H]1CC[N@H+](Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)C1 ZINC000625704088 715775681 /nfs/dbraw/zinc/77/56/81/715775681.db2.gz NPQWKQLRXJQJIB-CQSZACIVSA-N 1 2 360.458 3.005 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000639726467 717594968 /nfs/dbraw/zinc/59/49/68/717594968.db2.gz ARLITMOHVBAOLE-IFXJQAMLSA-N 1 2 361.873 3.029 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500932 724472508 /nfs/dbraw/zinc/47/25/08/724472508.db2.gz ZNBPMDKVKQLOBS-OAHLLOKOSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780500932 724472511 /nfs/dbraw/zinc/47/25/11/724472511.db2.gz ZNBPMDKVKQLOBS-OAHLLOKOSA-N 1 2 358.515 3.383 20 30 FGEDLO C=C(C)[C@H](CO)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000649389796 718510857 /nfs/dbraw/zinc/51/08/57/718510857.db2.gz GJHXTDULBKUJMP-WFASDCNBSA-N 1 2 350.463 3.058 20 30 FGEDLO COc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1Cl ZINC000782231537 724641032 /nfs/dbraw/zinc/64/10/32/724641032.db2.gz NCDMJORYMCFHTN-UHFFFAOYSA-N 1 2 352.847 3.088 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccsc3)CC2)cc1 ZINC000783394785 724751151 /nfs/dbraw/zinc/75/11/51/724751151.db2.gz WRXBPYMQIDSICS-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000683009867 722277365 /nfs/dbraw/zinc/27/73/65/722277365.db2.gz UUXOZFPDDFAHLK-OAQYLSRUSA-N 1 2 354.881 3.043 20 30 FGEDLO Fc1cc(Br)ccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000728432802 722451681 /nfs/dbraw/zinc/45/16/81/722451681.db2.gz BXARGJAPULCRPI-UHFFFAOYSA-N 1 2 364.222 3.424 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000730274743 722466612 /nfs/dbraw/zinc/46/66/12/722466612.db2.gz OFFLPEPPSYTVCX-KRWDZBQOSA-N 1 2 350.447 3.099 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000730274743 722466613 /nfs/dbraw/zinc/46/66/13/722466613.db2.gz OFFLPEPPSYTVCX-KRWDZBQOSA-N 1 2 350.447 3.099 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000752288213 722852838 /nfs/dbraw/zinc/85/28/38/722852838.db2.gz VCRDINIWBJNETG-SFHVURJKSA-N 1 2 360.527 3.126 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000754350563 722935453 /nfs/dbraw/zinc/93/54/53/722935453.db2.gz WMEDWFQQSLWTHY-UHFFFAOYSA-N 1 2 354.475 3.039 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000754350563 722935454 /nfs/dbraw/zinc/93/54/54/722935454.db2.gz WMEDWFQQSLWTHY-UHFFFAOYSA-N 1 2 354.475 3.039 20 30 FGEDLO C#CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCCC1 ZINC000756910790 722971775 /nfs/dbraw/zinc/97/17/75/722971775.db2.gz ARAQNUOBOKTCDO-UHFFFAOYSA-N 1 2 370.312 3.101 20 30 FGEDLO C#CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCCC1 ZINC000756910790 722971776 /nfs/dbraw/zinc/97/17/76/722971776.db2.gz ARAQNUOBOKTCDO-UHFFFAOYSA-N 1 2 370.312 3.101 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)N[NH+]=Cc2ccc(N3CCCC3)nc2)[C@H]1C ZINC000758370942 722988717 /nfs/dbraw/zinc/98/87/17/722988717.db2.gz GUWPHGJFKFXBFA-HLLBOEOZSA-N 1 2 359.543 3.305 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)n1 ZINC000761228181 723135241 /nfs/dbraw/zinc/13/52/41/723135241.db2.gz JABVOWYISTVCAE-UHFFFAOYSA-N 1 2 364.421 3.324 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000792405572 723335539 /nfs/dbraw/zinc/33/55/39/723335539.db2.gz AUVBZVNDWCSMDD-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000792405572 723335541 /nfs/dbraw/zinc/33/55/41/723335541.db2.gz AUVBZVNDWCSMDD-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO C#CC[N@@H+](Cc1c[nH]nc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769403640 723684721 /nfs/dbraw/zinc/68/47/21/723684721.db2.gz IVZLUCANTGEMQW-MRXNPFEDSA-N 1 2 360.255 3.440 20 30 FGEDLO C#CC[N@H+](Cc1c[nH]nc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769403640 723684722 /nfs/dbraw/zinc/68/47/22/723684722.db2.gz IVZLUCANTGEMQW-MRXNPFEDSA-N 1 2 360.255 3.440 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000776099097 724109970 /nfs/dbraw/zinc/10/99/70/724109970.db2.gz QMLNLDCXNSWMSY-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]OC[C@H]3CCOC3)nc2N(C)C)cc1 ZINC000788038539 725042182 /nfs/dbraw/zinc/04/21/82/725042182.db2.gz IOTPDDQVHXZOJF-AWEZNQCLSA-N 1 2 362.861 3.287 20 30 FGEDLO N#Cc1csc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000810147276 725293091 /nfs/dbraw/zinc/29/30/91/725293091.db2.gz BUIVXEVIRKOXEK-CYBMUJFWSA-N 1 2 361.776 3.208 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC1CCCC1 ZINC000819473932 727378110 /nfs/dbraw/zinc/37/81/10/727378110.db2.gz SRYVIUKSSGVPAT-HNNXBMFYSA-N 1 2 351.878 3.280 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(Cl)ccc1OC1CCCC1 ZINC000819473932 727378114 /nfs/dbraw/zinc/37/81/14/727378114.db2.gz SRYVIUKSSGVPAT-HNNXBMFYSA-N 1 2 351.878 3.280 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820272039 728979958 /nfs/dbraw/zinc/97/99/58/728979958.db2.gz YQVWFAREDTXNFV-CQSZACIVSA-N 1 2 355.291 3.166 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)cn1 ZINC000862421849 732830827 /nfs/dbraw/zinc/83/08/27/732830827.db2.gz JJLISDAQXUGUNK-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO N#Cc1sc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1Cl ZINC000888407053 739517571 /nfs/dbraw/zinc/51/75/71/739517571.db2.gz QFYQAWHVXAAYJP-UHFFFAOYSA-N 1 2 367.887 3.079 20 30 FGEDLO N#Cc1cc(C[N@H+](CCO)Cc2ccc(Br)s2)cs1 ZINC000894000578 742225089 /nfs/dbraw/zinc/22/50/89/742225089.db2.gz QNPMNAMEFBBGGS-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO N#Cc1cc(C[N@@H+](CCO)Cc2ccc(Br)s2)cs1 ZINC000894000578 742225091 /nfs/dbraw/zinc/22/50/91/742225091.db2.gz QNPMNAMEFBBGGS-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000895836970 742460585 /nfs/dbraw/zinc/46/05/85/742460585.db2.gz HMJJNJSKHSGKTO-GFCCVEGCSA-N 1 2 361.257 3.471 20 30 FGEDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000895836970 742460589 /nfs/dbraw/zinc/46/05/89/742460589.db2.gz HMJJNJSKHSGKTO-GFCCVEGCSA-N 1 2 361.257 3.471 20 30 FGEDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1O ZINC000897596905 742694406 /nfs/dbraw/zinc/69/44/06/742694406.db2.gz WMRCNQJBVRLSIC-SFHVURJKSA-N 1 2 358.825 3.499 20 30 FGEDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1O ZINC000897596905 742694408 /nfs/dbraw/zinc/69/44/08/742694408.db2.gz WMRCNQJBVRLSIC-SFHVURJKSA-N 1 2 358.825 3.499 20 30 FGEDLO Cc1ccc(C#N)cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000935915360 761969228 /nfs/dbraw/zinc/96/92/28/761969228.db2.gz PGVVHXXFXYPZAV-UHFFFAOYSA-N 1 2 354.479 3.101 20 30 FGEDLO COCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100079 758177980 /nfs/dbraw/zinc/17/79/80/758177980.db2.gz CLTNYFWBWPVKNV-OAHLLOKOSA-N 1 2 357.479 3.364 20 30 FGEDLO COCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100079 758177988 /nfs/dbraw/zinc/17/79/88/758177988.db2.gz CLTNYFWBWPVKNV-OAHLLOKOSA-N 1 2 357.479 3.364 20 30 FGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000957102725 762621458 /nfs/dbraw/zinc/62/14/58/762621458.db2.gz ZVVPQTGIKTZUMT-LSDHHAIUSA-N 1 2 352.400 3.316 20 30 FGEDLO C=CCn1nnn(C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)c1=S ZINC000919945905 758491459 /nfs/dbraw/zinc/49/14/59/758491459.db2.gz RDLKOJDHHYEIKN-CQSZACIVSA-N 1 2 359.499 3.262 20 30 FGEDLO C=CCn1nnn(C[N@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)c1=S ZINC000919945905 758491465 /nfs/dbraw/zinc/49/14/65/758491465.db2.gz RDLKOJDHHYEIKN-CQSZACIVSA-N 1 2 359.499 3.262 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358244 761144933 /nfs/dbraw/zinc/14/49/33/761144933.db2.gz KRRNNGDVZAPSEB-YOEHRIQHSA-N 1 2 356.495 3.182 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(C3CC3)c(C#N)c2)n1 ZINC000932420970 761163871 /nfs/dbraw/zinc/16/38/71/761163871.db2.gz AYJGSSFRNNPIPD-UHFFFAOYSA-N 1 2 355.467 3.275 20 30 FGEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2cn3ccccc3c2C#N)cn1 ZINC000933978327 761511717 /nfs/dbraw/zinc/51/17/17/761511717.db2.gz LPWGYVMJDLPNEI-IBGZPJMESA-N 1 2 351.479 3.225 20 30 FGEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2cn3ccccc3c2C#N)cn1 ZINC000933978327 761511721 /nfs/dbraw/zinc/51/17/21/761511721.db2.gz LPWGYVMJDLPNEI-IBGZPJMESA-N 1 2 351.479 3.225 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC000970195945 762870987 /nfs/dbraw/zinc/87/09/87/762870987.db2.gz UFVKNJVIYBXURP-ZOCIIQOWSA-N 1 2 361.917 3.045 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)cc2F)C1 ZINC000970446732 762874902 /nfs/dbraw/zinc/87/49/02/762874902.db2.gz IEBLAIBQMARTRD-NJAPINKUSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001007356860 765588308 /nfs/dbraw/zinc/58/83/08/765588308.db2.gz KGQLNHMXHVCLAE-BMFZPTHFSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001007356860 765588312 /nfs/dbraw/zinc/58/83/12/765588312.db2.gz KGQLNHMXHVCLAE-BMFZPTHFSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001015726039 765800013 /nfs/dbraw/zinc/80/00/13/765800013.db2.gz IXXGYCWHTVXKMV-INMHGKMJSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001015726039 765800026 /nfs/dbraw/zinc/80/00/26/765800026.db2.gz IXXGYCWHTVXKMV-INMHGKMJSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001023376159 766034580 /nfs/dbraw/zinc/03/45/80/766034580.db2.gz XJGUSXZPXZNWEM-NHGHTOHCSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001023376159 766034591 /nfs/dbraw/zinc/03/45/91/766034591.db2.gz XJGUSXZPXZNWEM-NHGHTOHCSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001027611226 766101394 /nfs/dbraw/zinc/10/13/94/766101394.db2.gz RZRLHLYZIGXBFQ-HRCADAONSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001027611226 766101396 /nfs/dbraw/zinc/10/13/96/766101396.db2.gz RZRLHLYZIGXBFQ-HRCADAONSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC001031986693 766189165 /nfs/dbraw/zinc/18/91/65/766189165.db2.gz CBKFYCMLXWLCHR-VMGRFDJRSA-N 1 2 366.864 3.179 20 30 FGEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001032043030 766193646 /nfs/dbraw/zinc/19/36/46/766193646.db2.gz RWYLWITXUCLMKY-VQTJNVASSA-N 1 2 356.897 3.176 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001033433374 766216146 /nfs/dbraw/zinc/21/61/46/766216146.db2.gz VPMBDFVXTHSBSG-INMHGKMJSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001033433374 766216147 /nfs/dbraw/zinc/21/61/47/766216147.db2.gz VPMBDFVXTHSBSG-INMHGKMJSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001039941528 766299418 /nfs/dbraw/zinc/29/94/18/766299418.db2.gz XQCKJWDNLJBVQR-OYSTVDSJSA-N 1 2 352.494 3.171 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001039941528 766299422 /nfs/dbraw/zinc/29/94/22/766299422.db2.gz XQCKJWDNLJBVQR-OYSTVDSJSA-N 1 2 352.494 3.171 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509797 766595264 /nfs/dbraw/zinc/59/52/64/766595264.db2.gz MXWKFGGPAIVJMX-MPTYRVRUSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509797 766595272 /nfs/dbraw/zinc/59/52/72/766595272.db2.gz MXWKFGGPAIVJMX-MPTYRVRUSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CO2 ZINC001053905321 766995701 /nfs/dbraw/zinc/99/57/01/766995701.db2.gz DACQIWQJVKMXEF-BFHYXJOUSA-N 1 2 366.914 3.041 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)cs1 ZINC000047752165 494770003 /nfs/dbraw/zinc/77/00/03/494770003.db2.gz INFLYUGSHJMGOY-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)cs1 ZINC000047752165 494770007 /nfs/dbraw/zinc/77/00/07/494770007.db2.gz INFLYUGSHJMGOY-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000577015136 505646129 /nfs/dbraw/zinc/64/61/29/505646129.db2.gz ZLTYKWSIWNSLCR-FQEVSTJZSA-N 1 2 371.444 3.488 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)s3)c2C1 ZINC000571156253 505667655 /nfs/dbraw/zinc/66/76/55/505667655.db2.gz RRNHSQYLUKRLTP-UHFFFAOYSA-N 1 2 362.458 3.086 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)s3)c2C1 ZINC000571156253 505667657 /nfs/dbraw/zinc/66/76/57/505667657.db2.gz RRNHSQYLUKRLTP-UHFFFAOYSA-N 1 2 362.458 3.086 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832035 493783314 /nfs/dbraw/zinc/78/33/14/493783314.db2.gz XVFXWOFLNFNOAH-KRWDZBQOSA-N 1 2 373.472 3.496 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832035 493783317 /nfs/dbraw/zinc/78/33/17/493783317.db2.gz XVFXWOFLNFNOAH-KRWDZBQOSA-N 1 2 373.472 3.496 20 30 FGEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ccc1C#N ZINC000028836878 493802675 /nfs/dbraw/zinc/80/26/75/493802675.db2.gz MWVAVHMEAAZMFY-UHFFFAOYSA-N 1 2 362.477 3.343 20 30 FGEDLO Cc1ccc(C)c(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000029225381 493826804 /nfs/dbraw/zinc/82/68/04/493826804.db2.gz BBUDLHHBAYMURS-UHFFFAOYSA-N 1 2 366.465 3.242 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000068827170 493879961 /nfs/dbraw/zinc/87/99/61/493879961.db2.gz KYGBHMRSPFKSTJ-KRWDZBQOSA-N 1 2 363.461 3.432 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000068827170 493879965 /nfs/dbraw/zinc/87/99/65/493879965.db2.gz KYGBHMRSPFKSTJ-KRWDZBQOSA-N 1 2 363.461 3.432 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)o1 ZINC000030214052 493880378 /nfs/dbraw/zinc/88/03/78/493880378.db2.gz PDBYFBDEFFIYLV-UHFFFAOYSA-N 1 2 354.229 3.046 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)o1 ZINC000030214052 493880380 /nfs/dbraw/zinc/88/03/80/493880380.db2.gz PDBYFBDEFFIYLV-UHFFFAOYSA-N 1 2 354.229 3.046 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cccc(C#N)c2)c2nccn2C)c1 ZINC000030648650 493902544 /nfs/dbraw/zinc/90/25/44/493902544.db2.gz LSCQXAGGJLFSAG-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000081512638 493906300 /nfs/dbraw/zinc/90/63/00/493906300.db2.gz MDGVZLXMGRMBHH-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000081512638 493906306 /nfs/dbraw/zinc/90/63/06/493906306.db2.gz MDGVZLXMGRMBHH-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000007717659 494037528 /nfs/dbraw/zinc/03/75/28/494037528.db2.gz HSLGISQFSRHUBC-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000007717659 494037531 /nfs/dbraw/zinc/03/75/31/494037531.db2.gz HSLGISQFSRHUBC-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000063299826 494042621 /nfs/dbraw/zinc/04/26/21/494042621.db2.gz XYVCWZHHJHXZDC-UHFFFAOYSA-N 1 2 355.388 3.141 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000063299826 494042625 /nfs/dbraw/zinc/04/26/25/494042625.db2.gz XYVCWZHHJHXZDC-UHFFFAOYSA-N 1 2 355.388 3.141 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(C)C[C@@H](C)C#N)cc3)cn2c1 ZINC000063747359 494083189 /nfs/dbraw/zinc/08/31/89/494083189.db2.gz ZCYQWLHTMYPJPZ-INIZCTEOSA-N 1 2 362.433 3.453 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)c1C#N ZINC000577308485 505703794 /nfs/dbraw/zinc/70/37/94/505703794.db2.gz NRAJFTPBTPQAPV-UHFFFAOYSA-N 1 2 374.897 3.234 20 30 FGEDLO CC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042737792 494240843 /nfs/dbraw/zinc/24/08/43/494240843.db2.gz GLWSVNRDVCYSKZ-UHFFFAOYSA-N 1 2 362.433 3.111 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000012822315 494263500 /nfs/dbraw/zinc/26/35/00/494263500.db2.gz VNSGOKLIYNZQDZ-QFIPXVFZSA-N 1 2 359.473 3.323 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000043265798 494280102 /nfs/dbraw/zinc/28/01/02/494280102.db2.gz UDZLZFCDKAVTGO-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000079260157 494426684 /nfs/dbraw/zinc/42/66/84/494426684.db2.gz XLMHKRUSZVHPHE-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO Cc1nc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000079272938 494428954 /nfs/dbraw/zinc/42/89/54/494428954.db2.gz MCYPVRAQHHWGNF-GJZGRUSLSA-N 1 2 364.449 3.123 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079545814 494477275 /nfs/dbraw/zinc/47/72/75/494477275.db2.gz UOSWUTJKHKERIX-MRXNPFEDSA-N 1 2 366.490 3.216 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079591220 494489024 /nfs/dbraw/zinc/48/90/24/494489024.db2.gz UVVYEQVPERFSRK-UHFFFAOYSA-N 1 2 365.412 3.304 20 30 FGEDLO N#Cc1cccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 ZINC000046315199 494515283 /nfs/dbraw/zinc/51/52/83/494515283.db2.gz UAVAGBQRTXBTTN-UHFFFAOYSA-N 1 2 368.440 3.446 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091047408 494518846 /nfs/dbraw/zinc/51/88/46/494518846.db2.gz SPPVGHQLVKYKCS-WBVHZDCISA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091047408 494518852 /nfs/dbraw/zinc/51/88/52/494518852.db2.gz SPPVGHQLVKYKCS-WBVHZDCISA-N 1 2 360.820 3.244 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000067368897 494524333 /nfs/dbraw/zinc/52/43/33/494524333.db2.gz MVSMDUZZWANUJE-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1ccccc1-c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000023257985 494558809 /nfs/dbraw/zinc/55/88/09/494558809.db2.gz WQMAYAKNIOCQSG-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000023437877 494567066 /nfs/dbraw/zinc/56/70/66/494567066.db2.gz IVTOUYWHHUPPLA-UHFFFAOYSA-N 1 2 370.456 3.373 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)Cc1cccnc1)Cc1ccccc1Cl ZINC000571422216 505729636 /nfs/dbraw/zinc/72/96/36/505729636.db2.gz SIRNWMMWHDCDPQ-UHFFFAOYSA-N 1 2 370.884 3.499 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)Cc1cccnc1)Cc1ccccc1Cl ZINC000571422216 505729640 /nfs/dbraw/zinc/72/96/40/505729640.db2.gz SIRNWMMWHDCDPQ-UHFFFAOYSA-N 1 2 370.884 3.499 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000024615904 494646697 /nfs/dbraw/zinc/64/66/97/494646697.db2.gz SLYQSOVNSZYLQY-UHFFFAOYSA-N 1 2 367.880 3.489 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024614428 494646781 /nfs/dbraw/zinc/64/67/81/494646781.db2.gz BSHZLQPBTAJFSM-UHFFFAOYSA-N 1 2 367.880 3.489 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1F ZINC000108406267 494701542 /nfs/dbraw/zinc/70/15/42/494701542.db2.gz DSRWJQWNXZUVAY-CRAIPNDOSA-N 1 2 361.461 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1F ZINC000108406267 494701547 /nfs/dbraw/zinc/70/15/47/494701547.db2.gz DSRWJQWNXZUVAY-CRAIPNDOSA-N 1 2 361.461 3.218 20 30 FGEDLO N#CCSCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000116140390 494712728 /nfs/dbraw/zinc/71/27/28/494712728.db2.gz CNXGZSNFISTMJR-UHFFFAOYSA-N 1 2 354.410 3.488 20 30 FGEDLO C=CCc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc(OC)c1O ZINC000091890489 494713395 /nfs/dbraw/zinc/71/33/95/494713395.db2.gz YMNHKOQRWIIQBI-UHFFFAOYSA-N 1 2 371.481 3.052 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc(OC)c1O ZINC000091890489 494713398 /nfs/dbraw/zinc/71/33/98/494713398.db2.gz YMNHKOQRWIIQBI-UHFFFAOYSA-N 1 2 371.481 3.052 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126378954 494729977 /nfs/dbraw/zinc/72/99/77/494729977.db2.gz IJUNNALMENKGNG-NRFANRHFSA-N 1 2 352.434 3.328 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126378954 494729987 /nfs/dbraw/zinc/72/99/87/494729987.db2.gz IJUNNALMENKGNG-NRFANRHFSA-N 1 2 352.434 3.328 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1OC ZINC000093393207 494884649 /nfs/dbraw/zinc/88/46/49/494884649.db2.gz JEODEVUVMQVXEQ-HNNXBMFYSA-N 1 2 367.511 3.048 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1OC ZINC000093393207 494884653 /nfs/dbraw/zinc/88/46/53/494884653.db2.gz JEODEVUVMQVXEQ-HNNXBMFYSA-N 1 2 367.511 3.048 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117749319 494952246 /nfs/dbraw/zinc/95/22/46/494952246.db2.gz IWQMEIWMRQQSTN-UHFFFAOYSA-N 1 2 361.405 3.432 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000133121035 494973017 /nfs/dbraw/zinc/97/30/17/494973017.db2.gz STHCFDPSVSQEEQ-UHFFFAOYSA-N 1 2 363.396 3.306 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457112 495016829 /nfs/dbraw/zinc/01/68/29/495016829.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457112 495016834 /nfs/dbraw/zinc/01/68/34/495016834.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000133457112 495016840 /nfs/dbraw/zinc/01/68/40/495016840.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000133457112 495016843 /nfs/dbraw/zinc/01/68/43/495016843.db2.gz VLYQFOYQYJKRCR-OALUTQOASA-N 1 2 359.433 3.214 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000097010238 495019292 /nfs/dbraw/zinc/01/92/92/495019292.db2.gz QUXBVAQPBDJUBO-HNNXBMFYSA-N 1 2 373.478 3.449 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000097010238 495019293 /nfs/dbraw/zinc/01/92/93/495019293.db2.gz QUXBVAQPBDJUBO-HNNXBMFYSA-N 1 2 373.478 3.449 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128066903 495039502 /nfs/dbraw/zinc/03/95/02/495039502.db2.gz OPGSYPBVHXBHTF-IBGZPJMESA-N 1 2 350.466 3.101 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000122907644 495050829 /nfs/dbraw/zinc/05/08/29/495050829.db2.gz TVKMNCOFDCXAHQ-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO C=CC1CC[NH+](CC(=O)Nc2ccccc2I)CC1 ZINC000111258885 495056388 /nfs/dbraw/zinc/05/63/88/495056388.db2.gz WMOSLESDKGFYOD-UHFFFAOYSA-N 1 2 370.234 3.128 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1OC(C)C ZINC000122951793 495058177 /nfs/dbraw/zinc/05/81/77/495058177.db2.gz VKYHVRXEJZEBTB-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000098134576 495060505 /nfs/dbraw/zinc/06/05/05/495060505.db2.gz IRJURKBGDUUFNT-OLZOCXBDSA-N 1 2 357.376 3.244 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000098134576 495060508 /nfs/dbraw/zinc/06/05/08/495060508.db2.gz IRJURKBGDUUFNT-OLZOCXBDSA-N 1 2 357.376 3.244 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342230 495177306 /nfs/dbraw/zinc/17/73/06/495177306.db2.gz NLRMCILLNWDXJH-FQEVSTJZSA-N 1 2 354.429 3.004 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342230 495177310 /nfs/dbraw/zinc/17/73/10/495177310.db2.gz NLRMCILLNWDXJH-FQEVSTJZSA-N 1 2 354.429 3.004 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000120426786 495375693 /nfs/dbraw/zinc/37/56/93/495375693.db2.gz BFYFQRJEAKWKPV-HNNXBMFYSA-N 1 2 354.479 3.131 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)on1 ZINC000136898215 495408357 /nfs/dbraw/zinc/40/83/57/495408357.db2.gz NQJQAEVWJGSOGU-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000120604875 495415420 /nfs/dbraw/zinc/41/54/20/495415420.db2.gz NPCJZIFLLANHCH-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000120604875 495415423 /nfs/dbraw/zinc/41/54/23/495415423.db2.gz NPCJZIFLLANHCH-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO CN(C(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000580536585 505781673 /nfs/dbraw/zinc/78/16/73/505781673.db2.gz GAAWCYNHELJHHN-UHFFFAOYSA-N 1 2 355.482 3.344 20 30 FGEDLO CN(C(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000580536585 505781676 /nfs/dbraw/zinc/78/16/76/505781676.db2.gz GAAWCYNHELJHHN-UHFFFAOYSA-N 1 2 355.482 3.344 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000125467270 495449538 /nfs/dbraw/zinc/44/95/38/495449538.db2.gz JJCQBWIAGAKVBV-MOPGFXCFSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000125467270 495449545 /nfs/dbraw/zinc/44/95/45/495449545.db2.gz JJCQBWIAGAKVBV-MOPGFXCFSA-N 1 2 370.403 3.081 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130992990 495476604 /nfs/dbraw/zinc/47/66/04/495476604.db2.gz HVBHVLNNBFXMMJ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130992990 495476608 /nfs/dbraw/zinc/47/66/08/495476608.db2.gz HVBHVLNNBFXMMJ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000170651047 495546320 /nfs/dbraw/zinc/54/63/20/495546320.db2.gz DLNPFLDRMBMPLO-UHFFFAOYSA-N 1 2 370.428 3.422 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000176246663 495562867 /nfs/dbraw/zinc/56/28/67/495562867.db2.gz AVSIPGBLESQWOV-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000176246663 495562870 /nfs/dbraw/zinc/56/28/70/495562870.db2.gz AVSIPGBLESQWOV-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)c(C#N)c1C ZINC000185476712 495591937 /nfs/dbraw/zinc/59/19/37/495591937.db2.gz ZDHXVZSMELIKPY-HNNXBMFYSA-N 1 2 367.449 3.079 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000179641971 495673757 /nfs/dbraw/zinc/67/37/57/495673757.db2.gz ZMQBFEHLQGUPDN-CQSZACIVSA-N 1 2 372.469 3.076 20 30 FGEDLO C=CC[C@@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000185891847 495768340 /nfs/dbraw/zinc/76/83/40/495768340.db2.gz RBDYGMJLHMXCNO-INIZCTEOSA-N 1 2 367.474 3.293 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151247764 495783472 /nfs/dbraw/zinc/78/34/72/495783472.db2.gz MMQFRTVIGSQVDB-ZWKOTPCHSA-N 1 2 356.495 3.330 20 30 FGEDLO Cn1cc(C[N@H+](C)Cc2nccn2C(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000179934836 495790179 /nfs/dbraw/zinc/79/01/79/495790179.db2.gz HDYMOGNLNJSQJP-UHFFFAOYSA-N 1 2 356.380 3.182 20 30 FGEDLO Cn1cc(C[N@@H+](C)Cc2nccn2C(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000179934836 495790182 /nfs/dbraw/zinc/79/01/82/495790182.db2.gz HDYMOGNLNJSQJP-UHFFFAOYSA-N 1 2 356.380 3.182 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176973446 495864433 /nfs/dbraw/zinc/86/44/33/495864433.db2.gz SCDDDTNEAPUZDI-UHFFFAOYSA-N 1 2 374.444 3.240 20 30 FGEDLO Cc1csc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177032145 495891853 /nfs/dbraw/zinc/89/18/53/495891853.db2.gz ZNHIEJPIBBZUEG-HUUCEWRRSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1csc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177032145 495891858 /nfs/dbraw/zinc/89/18/58/495891858.db2.gz ZNHIEJPIBBZUEG-HUUCEWRRSA-N 1 2 372.519 3.370 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1O ZINC000177049813 495901630 /nfs/dbraw/zinc/90/16/30/495901630.db2.gz MQEGMJVNROJXHB-UHFFFAOYSA-N 1 2 359.451 3.021 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)ccc1O ZINC000177049813 495901636 /nfs/dbraw/zinc/90/16/36/495901636.db2.gz MQEGMJVNROJXHB-UHFFFAOYSA-N 1 2 359.451 3.021 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174332013 495913800 /nfs/dbraw/zinc/91/38/00/495913800.db2.gz VUMWSAQDJNTONP-KBPBESRZSA-N 1 2 358.417 3.115 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000160959723 496074718 /nfs/dbraw/zinc/07/47/18/496074718.db2.gz OITUXSKOWQCVMZ-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000160959723 496074722 /nfs/dbraw/zinc/07/47/22/496074722.db2.gz OITUXSKOWQCVMZ-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000180682428 496102496 /nfs/dbraw/zinc/10/24/96/496102496.db2.gz QVOFLYXNWMLEAP-UHFFFAOYSA-N 1 2 362.433 3.283 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc(C#N)cc1 ZINC000174895492 496153524 /nfs/dbraw/zinc/15/35/24/496153524.db2.gz GLJPNSPJUJVDAJ-UHFFFAOYSA-N 1 2 362.477 3.261 20 30 FGEDLO COc1cccc(CC(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000183939050 496169132 /nfs/dbraw/zinc/16/91/32/496169132.db2.gz UJGCGUDLBALUBB-QGZVFWFLSA-N 1 2 363.461 3.015 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000184005587 496196801 /nfs/dbraw/zinc/19/68/01/496196801.db2.gz GQCAAOJYADGNOI-QFIPXVFZSA-N 1 2 358.445 3.166 20 30 FGEDLO C=CCOc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000156995844 496381538 /nfs/dbraw/zinc/38/15/38/496381538.db2.gz BYPBNCDEPVZTKY-OAHLLOKOSA-N 1 2 355.887 3.056 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000156995844 496381546 /nfs/dbraw/zinc/38/15/46/496381546.db2.gz BYPBNCDEPVZTKY-OAHLLOKOSA-N 1 2 355.887 3.056 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000184605572 496460473 /nfs/dbraw/zinc/46/04/73/496460473.db2.gz ROFNZNXMJHFEOO-MRXNPFEDSA-N 1 2 369.425 3.066 20 30 FGEDLO CCOc1cc(C#N)ccc1OC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153480016 496468658 /nfs/dbraw/zinc/46/86/58/496468658.db2.gz JRYKZFCHUAUUGF-QGZVFWFLSA-N 1 2 365.433 3.363 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1C#N ZINC000157797041 496557240 /nfs/dbraw/zinc/55/72/40/496557240.db2.gz GRSPLWKVDPVOQS-UHFFFAOYSA-N 1 2 353.426 3.364 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000184855435 496559664 /nfs/dbraw/zinc/55/96/64/496559664.db2.gz HVTSZLZKNHNBDE-HNNXBMFYSA-N 1 2 361.467 3.308 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000165165365 496651147 /nfs/dbraw/zinc/65/11/47/496651147.db2.gz IZURJOQPFSFHDS-MRXNPFEDSA-N 1 2 354.454 3.472 20 30 FGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000179187680 496705194 /nfs/dbraw/zinc/70/51/94/496705194.db2.gz UPWAOKQSYYDXJU-UHFFFAOYSA-N 1 2 363.461 3.087 20 30 FGEDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158481362 496711444 /nfs/dbraw/zinc/71/14/44/496711444.db2.gz JXJCFNBWABUKCX-UHFFFAOYSA-N 1 2 351.425 3.400 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1cccc(C)c1 ZINC000188247520 496722793 /nfs/dbraw/zinc/72/27/93/496722793.db2.gz TWGSQPSSRWOCKN-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1cccc(C)c1 ZINC000188247520 496722797 /nfs/dbraw/zinc/72/27/97/496722797.db2.gz TWGSQPSSRWOCKN-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)cc1 ZINC000273276862 496761322 /nfs/dbraw/zinc/76/13/22/496761322.db2.gz GAJHETPBLYWXJI-VLIAUNLRSA-N 1 2 369.469 3.004 20 30 FGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)cc1 ZINC000273276857 496761789 /nfs/dbraw/zinc/76/17/89/496761789.db2.gz GAJHETPBLYWXJI-JLTOFOAXSA-N 1 2 369.469 3.004 20 30 FGEDLO N#Cc1cccnc1-n1cc(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cn1 ZINC000188465740 496799409 /nfs/dbraw/zinc/79/94/09/496799409.db2.gz OCESCSAZROFKCT-QGZVFWFLSA-N 1 2 359.368 3.203 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191778437 496886579 /nfs/dbraw/zinc/88/65/79/496886579.db2.gz NSCJYNLFBJELMY-MRXNPFEDSA-N 1 2 364.287 3.154 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191778437 496886583 /nfs/dbraw/zinc/88/65/83/496886583.db2.gz NSCJYNLFBJELMY-MRXNPFEDSA-N 1 2 364.287 3.154 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273763617 496899162 /nfs/dbraw/zinc/89/91/62/496899162.db2.gz YOIFRDOHWGFCLA-NWDGAFQWSA-N 1 2 350.513 3.162 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247678533 496905517 /nfs/dbraw/zinc/90/55/17/496905517.db2.gz ZKXXFAOTIGPGEO-PKOBYXMFSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247678533 496905521 /nfs/dbraw/zinc/90/55/21/496905521.db2.gz ZKXXFAOTIGPGEO-PKOBYXMFSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247678529 496905700 /nfs/dbraw/zinc/90/57/00/496905700.db2.gz ZKXXFAOTIGPGEO-IEBWSBKVSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000247678529 496905705 /nfs/dbraw/zinc/90/57/05/496905705.db2.gz ZKXXFAOTIGPGEO-IEBWSBKVSA-N 1 2 359.491 3.290 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264627073 496947124 /nfs/dbraw/zinc/94/71/24/496947124.db2.gz AJQSKCPAYSSCDA-KRWDZBQOSA-N 1 2 352.438 3.237 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188989743 496970377 /nfs/dbraw/zinc/97/03/77/496970377.db2.gz QUUSCKGNWUKTGA-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(OC)c1OC ZINC000274273130 497057652 /nfs/dbraw/zinc/05/76/52/497057652.db2.gz RHVMBKPBFPZDGD-UHFFFAOYSA-N 1 2 357.410 3.402 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)s2)cc1 ZINC000278450655 497118919 /nfs/dbraw/zinc/11/89/19/497118919.db2.gz NCDAWXGABCRCES-QGZVFWFLSA-N 1 2 352.463 3.171 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)s2)cc1 ZINC000278450655 497118926 /nfs/dbraw/zinc/11/89/26/497118926.db2.gz NCDAWXGABCRCES-QGZVFWFLSA-N 1 2 352.463 3.171 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000192550532 497147130 /nfs/dbraw/zinc/14/71/30/497147130.db2.gz YOGWQQMFVYJUJJ-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C#N)CCCC1)CC2 ZINC000275558444 497364139 /nfs/dbraw/zinc/36/41/39/497364139.db2.gz FNLQYAOJBOPYCU-OAHLLOKOSA-N 1 2 358.511 3.040 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C#N)CCCC1)CC2 ZINC000275558444 497364141 /nfs/dbraw/zinc/36/41/41/497364141.db2.gz FNLQYAOJBOPYCU-OAHLLOKOSA-N 1 2 358.511 3.040 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000190161460 497382072 /nfs/dbraw/zinc/38/20/72/497382072.db2.gz HFMFCSRRNVIGRM-UHFFFAOYSA-N 1 2 362.408 3.457 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000266693258 497399681 /nfs/dbraw/zinc/39/96/81/497399681.db2.gz CPGOOFUOQLMECV-OAHLLOKOSA-N 1 2 358.442 3.338 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000266693258 497399687 /nfs/dbraw/zinc/39/96/87/497399687.db2.gz CPGOOFUOQLMECV-OAHLLOKOSA-N 1 2 358.442 3.338 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000578288917 505906004 /nfs/dbraw/zinc/90/60/04/505906004.db2.gz WBIRODXBHHBMOU-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279588579 497480304 /nfs/dbraw/zinc/48/03/04/497480304.db2.gz TZZUMZRZBHWUPG-OEAKJJBVSA-N 1 2 366.465 3.220 20 30 FGEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000245762927 497531860 /nfs/dbraw/zinc/53/18/60/497531860.db2.gz FPDSWRVPXRECIO-MAUKXSAKSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000245762927 497531861 /nfs/dbraw/zinc/53/18/61/497531861.db2.gz FPDSWRVPXRECIO-MAUKXSAKSA-N 1 2 358.463 3.398 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)CCC1 ZINC000190570659 497531959 /nfs/dbraw/zinc/53/19/59/497531959.db2.gz AFLJBHHLZSYVIH-UHFFFAOYSA-N 1 2 358.482 3.094 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245798541 497540307 /nfs/dbraw/zinc/54/03/07/497540307.db2.gz YQYPHLLEVRUZFT-OALUTQOASA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245798541 497540312 /nfs/dbraw/zinc/54/03/12/497540312.db2.gz YQYPHLLEVRUZFT-OALUTQOASA-N 1 2 369.852 3.013 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279824012 497554690 /nfs/dbraw/zinc/55/46/90/497554690.db2.gz PUDSSGTZZLTVHG-YLJYHZDGSA-N 1 2 353.466 3.489 20 30 FGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000272295367 497588712 /nfs/dbraw/zinc/58/87/12/497588712.db2.gz MXQYTFUZEUFTII-ZDUSSCGKSA-N 1 2 367.478 3.412 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cncc(Br)c2)CC1 ZINC000194257207 497616317 /nfs/dbraw/zinc/61/63/17/497616317.db2.gz QSBVLWJSFLWAMB-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cncc(Br)c2)CC1 ZINC000194257207 497616324 /nfs/dbraw/zinc/61/63/24/497616324.db2.gz QSBVLWJSFLWAMB-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO C=C(C)COc1cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950201 497645254 /nfs/dbraw/zinc/64/52/54/497645254.db2.gz SXMXSIPCCKQUPX-QGZVFWFLSA-N 1 2 373.474 3.268 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246231410 497669839 /nfs/dbraw/zinc/66/98/39/497669839.db2.gz FVGNMJRITRGIQF-JLZZUVOBSA-N 1 2 354.853 3.322 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246231410 497669842 /nfs/dbraw/zinc/66/98/42/497669842.db2.gz FVGNMJRITRGIQF-JLZZUVOBSA-N 1 2 354.853 3.322 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)sc1C ZINC000280217074 497684613 /nfs/dbraw/zinc/68/46/13/497684613.db2.gz AKZMFYFHBDHXLP-INIZCTEOSA-N 1 2 371.462 3.478 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)sc1C ZINC000280217074 497684619 /nfs/dbraw/zinc/68/46/19/497684619.db2.gz AKZMFYFHBDHXLP-INIZCTEOSA-N 1 2 371.462 3.478 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000277009983 497714135 /nfs/dbraw/zinc/71/41/35/497714135.db2.gz IDRKFEOHFPRFKE-KRWDZBQOSA-N 1 2 355.482 3.408 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000191124022 497716257 /nfs/dbraw/zinc/71/62/57/497716257.db2.gz VPDXEUAEDDICRS-MRXNPFEDSA-N 1 2 373.478 3.153 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000191124022 497716262 /nfs/dbraw/zinc/71/62/62/497716262.db2.gz VPDXEUAEDDICRS-MRXNPFEDSA-N 1 2 373.478 3.153 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191144939 497724115 /nfs/dbraw/zinc/72/41/15/497724115.db2.gz MVTCUPMIYAZASC-KKUMJFAQSA-N 1 2 361.511 3.253 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000575120184 505925697 /nfs/dbraw/zinc/92/56/97/505925697.db2.gz MQTSPZZIVJCFFA-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000575120184 505925699 /nfs/dbraw/zinc/92/56/99/505925699.db2.gz MQTSPZZIVJCFFA-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C#N)oc1C ZINC000280508960 497776322 /nfs/dbraw/zinc/77/63/22/497776322.db2.gz ADSTVLIBGOHXQX-UHFFFAOYSA-N 1 2 352.438 3.233 20 30 FGEDLO N#CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000272999822 497781635 /nfs/dbraw/zinc/78/16/35/497781635.db2.gz HFCWXYPMPRMQOW-OAHLLOKOSA-N 1 2 350.260 3.006 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCSCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329564200 497830044 /nfs/dbraw/zinc/83/00/44/497830044.db2.gz SDSRLJOBKASMTM-NVXWUHKLSA-N 1 2 368.543 3.031 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCSCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329564200 497830051 /nfs/dbraw/zinc/83/00/51/497830051.db2.gz SDSRLJOBKASMTM-NVXWUHKLSA-N 1 2 368.543 3.031 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578417179 505934031 /nfs/dbraw/zinc/93/40/31/505934031.db2.gz HJEOEVGLPBWMCZ-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000578417179 505934035 /nfs/dbraw/zinc/93/40/35/505934035.db2.gz HJEOEVGLPBWMCZ-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO O=C(C[N@H+]1CCSC[C@H]1CO)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000329645173 497857111 /nfs/dbraw/zinc/85/71/11/497857111.db2.gz JHDPFZLYAFBBMU-MJGOQNOKSA-N 1 2 366.502 3.423 20 30 FGEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000329645173 497857117 /nfs/dbraw/zinc/85/71/17/497857117.db2.gz JHDPFZLYAFBBMU-MJGOQNOKSA-N 1 2 366.502 3.423 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000329710545 497877651 /nfs/dbraw/zinc/87/76/51/497877651.db2.gz MHXPSECCHKGKIL-RISCZKNCSA-N 1 2 356.392 3.236 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000329710545 497877657 /nfs/dbraw/zinc/87/76/57/497877657.db2.gz MHXPSECCHKGKIL-RISCZKNCSA-N 1 2 356.392 3.236 20 30 FGEDLO O=C(CNC(=O)C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc(F)c(F)c1 ZINC000329778648 497899098 /nfs/dbraw/zinc/89/90/98/497899098.db2.gz LILXAPVMFKOJFB-UHFFFAOYSA-N 1 2 367.396 3.012 20 30 FGEDLO O=C(CNC(=O)C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc(F)c(F)c1 ZINC000329778648 497899102 /nfs/dbraw/zinc/89/91/02/497899102.db2.gz LILXAPVMFKOJFB-UHFFFAOYSA-N 1 2 367.396 3.012 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCc3c1cccc3O)C2 ZINC000329800357 497905102 /nfs/dbraw/zinc/90/51/02/497905102.db2.gz ILFJFFIDENQOGM-OAHLLOKOSA-N 1 2 354.454 3.209 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329810716 497909500 /nfs/dbraw/zinc/90/95/00/497909500.db2.gz CMINMZBSVFLFEQ-AYOQOUSVSA-N 1 2 373.472 3.350 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329810716 497909505 /nfs/dbraw/zinc/90/95/05/497909505.db2.gz CMINMZBSVFLFEQ-AYOQOUSVSA-N 1 2 373.472 3.350 20 30 FGEDLO Cc1cnc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372371 497925938 /nfs/dbraw/zinc/92/59/38/497925938.db2.gz COVFYDNLBUZCJR-GJZGRUSLSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1cnc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372371 497925942 /nfs/dbraw/zinc/92/59/42/497925942.db2.gz COVFYDNLBUZCJR-GJZGRUSLSA-N 1 2 372.519 3.370 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901752 497945614 /nfs/dbraw/zinc/94/56/14/497945614.db2.gz OVFRCQCVWIMKSI-TYILLQQXSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901752 497945620 /nfs/dbraw/zinc/94/56/20/497945620.db2.gz OVFRCQCVWIMKSI-TYILLQQXSA-N 1 2 360.454 3.324 20 30 FGEDLO CC1(C)[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000329913563 497951034 /nfs/dbraw/zinc/95/10/34/497951034.db2.gz XLUJBGVEDXCDRZ-OTWHNJEPSA-N 1 2 358.482 3.027 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329937208 497961670 /nfs/dbraw/zinc/96/16/70/497961670.db2.gz LKTHAOWJMZJJEW-OAGGEKHMSA-N 1 2 364.515 3.413 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400456 505959917 /nfs/dbraw/zinc/95/99/17/505959917.db2.gz JLQZLRJLNJIGIO-PBHICJAKSA-N 1 2 373.478 3.102 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400456 505959923 /nfs/dbraw/zinc/95/99/23/505959923.db2.gz JLQZLRJLNJIGIO-PBHICJAKSA-N 1 2 373.478 3.102 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000364534546 498008173 /nfs/dbraw/zinc/00/81/73/498008173.db2.gz XTXXKSSVRHYUQY-OAHLLOKOSA-N 1 2 366.465 3.193 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000364534546 498008179 /nfs/dbraw/zinc/00/81/79/498008179.db2.gz XTXXKSSVRHYUQY-OAHLLOKOSA-N 1 2 366.465 3.193 20 30 FGEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1)C1CCCCC1 ZINC000301242339 498016545 /nfs/dbraw/zinc/01/65/45/498016545.db2.gz KBCCALKSWLOSMU-UHFFFAOYSA-N 1 2 374.916 3.125 20 30 FGEDLO COc1ccccc1NC(=O)C1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000330195331 498057416 /nfs/dbraw/zinc/05/74/16/498057416.db2.gz ZOVDHLWXYKTEOB-UHFFFAOYSA-N 1 2 369.469 3.123 20 30 FGEDLO CC(C)[C@@H]1N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC12CCC2 ZINC000330219612 498067226 /nfs/dbraw/zinc/06/72/26/498067226.db2.gz PQKPDRRUBJMVQH-IRXDYDNUSA-N 1 2 360.502 3.312 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000330240831 498074160 /nfs/dbraw/zinc/07/41/60/498074160.db2.gz BOHIEZRTDCMHQM-MWDXBVQZSA-N 1 2 358.486 3.302 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253894 498081147 /nfs/dbraw/zinc/08/11/47/498081147.db2.gz OXPGHAOFEKFBML-CJNGLKHVSA-N 1 2 353.447 3.008 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253894 498081152 /nfs/dbraw/zinc/08/11/52/498081152.db2.gz OXPGHAOFEKFBML-CJNGLKHVSA-N 1 2 353.447 3.008 20 30 FGEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2C(F)(F)F ZINC000330281835 498092712 /nfs/dbraw/zinc/09/27/12/498092712.db2.gz UYWQFWWUNULWPT-NSHDSACASA-N 1 2 350.344 3.193 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296563143 498096577 /nfs/dbraw/zinc/09/65/77/498096577.db2.gz HWENPWHKJYZUAN-MSOLQXFVSA-N 1 2 350.466 3.147 20 30 FGEDLO CCN1CCN(C(=O)NC[C@H](C)c2ccc(C)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330330782 498106920 /nfs/dbraw/zinc/10/69/20/498106920.db2.gz NOLFFQHGUWQKOO-FUHWJXTLSA-N 1 2 355.486 3.114 20 30 FGEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000364715372 498108623 /nfs/dbraw/zinc/10/86/23/498108623.db2.gz ZUHMWCFGILQQGC-ZWKOTPCHSA-N 1 2 355.438 3.474 20 30 FGEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000364715372 498108631 /nfs/dbraw/zinc/10/86/31/498108631.db2.gz ZUHMWCFGILQQGC-ZWKOTPCHSA-N 1 2 355.438 3.474 20 30 FGEDLO CCc1ccc(CC)c(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000330349384 498114417 /nfs/dbraw/zinc/11/44/17/498114417.db2.gz JVLXKWGKFRJFDW-GOSISDBHSA-N 1 2 355.486 3.079 20 30 FGEDLO CCc1nnc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)c1CC ZINC000301615147 498189097 /nfs/dbraw/zinc/18/90/97/498189097.db2.gz ITKFMXUIBNRHRO-UHFFFAOYSA-N 1 2 350.470 3.470 20 30 FGEDLO CCc1nnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(C#N)c1CC ZINC000301617829 498189854 /nfs/dbraw/zinc/18/98/54/498189854.db2.gz KTPNJZBNXYXUPR-UHFFFAOYSA-N 1 2 351.454 3.049 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000330946978 498223570 /nfs/dbraw/zinc/22/35/70/498223570.db2.gz LNJITDGIFKYCTB-IAQYHMDHSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000330946978 498223574 /nfs/dbraw/zinc/22/35/74/498223574.db2.gz LNJITDGIFKYCTB-IAQYHMDHSA-N 1 2 372.332 3.385 20 30 FGEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000281694727 498239661 /nfs/dbraw/zinc/23/96/61/498239661.db2.gz NIAGQBIQIKYSJZ-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000281694727 498239669 /nfs/dbraw/zinc/23/96/69/498239669.db2.gz NIAGQBIQIKYSJZ-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO C=CCN(CCOC)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000572612850 506012348 /nfs/dbraw/zinc/01/23/48/506012348.db2.gz KEULOZNSRMFMBJ-UHFFFAOYSA-N 1 2 356.470 3.278 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)ccc1Br ZINC000331339424 498305004 /nfs/dbraw/zinc/30/50/04/498305004.db2.gz JSVQJGPXZGZQOB-HUBLWGQQSA-N 1 2 350.260 3.366 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](CCC)Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000281936373 498325566 /nfs/dbraw/zinc/32/55/66/498325566.db2.gz INHDFQLVEYMDFE-MRXNPFEDSA-N 1 2 374.872 3.389 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](CCC)Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000281936373 498325572 /nfs/dbraw/zinc/32/55/72/498325572.db2.gz INHDFQLVEYMDFE-MRXNPFEDSA-N 1 2 374.872 3.389 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000331450218 498335688 /nfs/dbraw/zinc/33/56/88/498335688.db2.gz TYPIWMLVIPPXME-OALUTQOASA-N 1 2 354.498 3.342 20 30 FGEDLO N#CC1(CCC[S@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000282011325 498355730 /nfs/dbraw/zinc/35/57/30/498355730.db2.gz XWMJSBMNNMZLBB-DEOSSOPVSA-N 1 2 365.886 3.337 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000575935683 506036595 /nfs/dbraw/zinc/03/65/95/506036595.db2.gz YNNJVOHSMJZRQE-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccc(Cl)s3)CC1)CCOC2 ZINC000575954012 506041164 /nfs/dbraw/zinc/04/11/64/506041164.db2.gz NVQONENVZDUWHR-UHFFFAOYSA-N 1 2 374.897 3.063 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439237 498485740 /nfs/dbraw/zinc/48/57/40/498485740.db2.gz MSLPWGNEFKHEMY-WMLDXEAASA-N 1 2 352.463 3.365 20 30 FGEDLO C[C@H]1C[N@H+]([C@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439237 498485748 /nfs/dbraw/zinc/48/57/48/498485748.db2.gz MSLPWGNEFKHEMY-WMLDXEAASA-N 1 2 352.463 3.365 20 30 FGEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375158 498505196 /nfs/dbraw/zinc/50/51/96/498505196.db2.gz AYJYDYDZCSKRTN-OAQYLSRUSA-N 1 2 372.407 3.356 20 30 FGEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375158 498505202 /nfs/dbraw/zinc/50/52/02/498505202.db2.gz AYJYDYDZCSKRTN-OAQYLSRUSA-N 1 2 372.407 3.356 20 30 FGEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375158 498505204 /nfs/dbraw/zinc/50/52/04/498505204.db2.gz AYJYDYDZCSKRTN-OAQYLSRUSA-N 1 2 372.407 3.356 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCSCC1 ZINC000290619826 498621846 /nfs/dbraw/zinc/62/18/46/498621846.db2.gz UDAIPGPAPDULDQ-AWEZNQCLSA-N 1 2 368.462 3.121 20 30 FGEDLO Cn1c2ccc(CNC(=O)COc3ccccc3C#N)cc2[nH+]c1C1CC1 ZINC000282818973 498666920 /nfs/dbraw/zinc/66/69/20/498666920.db2.gz CDBBTFJLWNKNRE-UHFFFAOYSA-N 1 2 360.417 3.018 20 30 FGEDLO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287281694 498700729 /nfs/dbraw/zinc/70/07/29/498700729.db2.gz LRTBTYLGSWIGRF-UHFFFAOYSA-N 1 2 364.287 3.057 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363208367 498703876 /nfs/dbraw/zinc/70/38/76/498703876.db2.gz SLRPCSFWZBTCNM-UHFFFAOYSA-N 1 2 374.448 3.261 20 30 FGEDLO COCC[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Br ZINC000287399479 498742367 /nfs/dbraw/zinc/74/23/67/498742367.db2.gz NYBORMJZMJDTOP-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1Br ZINC000287399479 498742371 /nfs/dbraw/zinc/74/23/71/498742371.db2.gz NYBORMJZMJDTOP-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294646869 498760561 /nfs/dbraw/zinc/76/05/61/498760561.db2.gz QYXFKXQLHGLDTR-NSHDSACASA-N 1 2 359.227 3.064 20 30 FGEDLO Cc1cc(C)c(C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000576163950 506091945 /nfs/dbraw/zinc/09/19/45/506091945.db2.gz HAZIPGHHOIFPQS-FUHWJXTLSA-N 1 2 369.431 3.293 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000363441514 498824017 /nfs/dbraw/zinc/82/40/17/498824017.db2.gz KYHKJIKGHAMHIO-IBGZPJMESA-N 1 2 362.458 3.010 20 30 FGEDLO CC[C@]1(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000328616127 498876002 /nfs/dbraw/zinc/87/60/02/498876002.db2.gz SDUCADZRCFCULN-RDTXWAMCSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@]1(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000328616127 498876006 /nfs/dbraw/zinc/87/60/06/498876006.db2.gz SDUCADZRCFCULN-RDTXWAMCSA-N 1 2 366.531 3.421 20 30 FGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000572996023 506095965 /nfs/dbraw/zinc/09/59/65/506095965.db2.gz FBXMMHXEOXQRMR-UHFFFAOYSA-N 1 2 371.872 3.200 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000328662072 498894772 /nfs/dbraw/zinc/89/47/72/498894772.db2.gz XBXGQJOMSDCMKC-YESZJQIVSA-N 1 2 360.502 3.310 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1Cc3ccccc3N(C)C[C@@H]1C)CCC2 ZINC000328659876 498894872 /nfs/dbraw/zinc/89/48/72/498894872.db2.gz UIMMYQLYWQUQMY-IRXDYDNUSA-N 1 2 367.497 3.323 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000366377586 498900492 /nfs/dbraw/zinc/90/04/92/498900492.db2.gz JLDIBJDSQDIUBX-MJGOQNOKSA-N 1 2 350.466 3.289 20 30 FGEDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366379555 498902061 /nfs/dbraw/zinc/90/20/61/498902061.db2.gz MRJTVKZOEHBQEU-LBPRGKRZSA-N 1 2 351.435 3.215 20 30 FGEDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366379555 498902065 /nfs/dbraw/zinc/90/20/65/498902065.db2.gz MRJTVKZOEHBQEU-LBPRGKRZSA-N 1 2 351.435 3.215 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 ZINC000328695881 498904998 /nfs/dbraw/zinc/90/49/98/498904998.db2.gz DDAACZUTNIZBGN-KRWDZBQOSA-N 1 2 372.513 3.354 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)cc1 ZINC000363644760 498922423 /nfs/dbraw/zinc/92/24/23/498922423.db2.gz JMLNARVCSIYSTL-UHFFFAOYSA-N 1 2 353.447 3.153 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N3CCC(OC)CC3)ccc2n1C1CC1 ZINC000328758781 498928988 /nfs/dbraw/zinc/92/89/88/498928988.db2.gz WFAQKXKOZHJLMK-UHFFFAOYSA-N 1 2 356.470 3.458 20 30 FGEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328796974 498942077 /nfs/dbraw/zinc/94/20/77/498942077.db2.gz VJJFRWKBKWRZFE-SXLOBPIMSA-N 1 2 351.450 3.388 20 30 FGEDLO O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328809077 498945641 /nfs/dbraw/zinc/94/56/41/498945641.db2.gz MKZCVJOTQZEESM-NSHDSACASA-N 1 2 359.817 3.121 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328841299 498957920 /nfs/dbraw/zinc/95/79/20/498957920.db2.gz OQKWXSCOEAJNRQ-SFHVURJKSA-N 1 2 354.454 3.035 20 30 FGEDLO FC(F)Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000295266070 498960004 /nfs/dbraw/zinc/96/00/04/498960004.db2.gz HGTLYZSDJDKVBT-UHFFFAOYSA-N 1 2 351.241 3.465 20 30 FGEDLO FC(F)Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000295266070 498960010 /nfs/dbraw/zinc/96/00/10/498960010.db2.gz HGTLYZSDJDKVBT-UHFFFAOYSA-N 1 2 351.241 3.465 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328887636 498975683 /nfs/dbraw/zinc/97/56/83/498975683.db2.gz PPODVECRSIYROP-LESCRADOSA-N 1 2 357.454 3.121 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328887636 498975687 /nfs/dbraw/zinc/97/56/87/498975687.db2.gz PPODVECRSIYROP-LESCRADOSA-N 1 2 357.454 3.121 20 30 FGEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000328930781 498990071 /nfs/dbraw/zinc/99/00/71/498990071.db2.gz AVYIAJIDYLUFIC-CABCVRRESA-N 1 2 364.515 3.141 20 30 FGEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000328930781 498990077 /nfs/dbraw/zinc/99/00/77/498990077.db2.gz AVYIAJIDYLUFIC-CABCVRRESA-N 1 2 364.515 3.141 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000363829582 499014907 /nfs/dbraw/zinc/01/49/07/499014907.db2.gz ZMGIVFAJALMIDS-RBUKOAKNSA-N 1 2 359.433 3.316 20 30 FGEDLO N#C[C@H](C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314647 499022507 /nfs/dbraw/zinc/02/25/07/499022507.db2.gz DUHTXXXSJQBKQL-SJLPKXTDSA-N 1 2 372.428 3.001 20 30 FGEDLO N#C[C@H](C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314647 499022512 /nfs/dbraw/zinc/02/25/12/499022512.db2.gz DUHTXXXSJQBKQL-SJLPKXTDSA-N 1 2 372.428 3.001 20 30 FGEDLO CN1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1=O ZINC000329081824 499035593 /nfs/dbraw/zinc/03/55/93/499035593.db2.gz DGQUSXBCXKZILY-AWEZNQCLSA-N 1 2 352.438 3.343 20 30 FGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329094931 499040885 /nfs/dbraw/zinc/04/08/85/499040885.db2.gz XUAJDLUNZDCUBA-QFIPXVFZSA-N 1 2 374.525 3.365 20 30 FGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329094931 499040887 /nfs/dbraw/zinc/04/08/87/499040887.db2.gz XUAJDLUNZDCUBA-QFIPXVFZSA-N 1 2 374.525 3.365 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C2 ZINC000329199186 499070094 /nfs/dbraw/zinc/07/00/94/499070094.db2.gz AVLIIXYENFUQPA-LSDHHAIUSA-N 1 2 370.501 3.360 20 30 FGEDLO C[N@@H+]1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274044 499080455 /nfs/dbraw/zinc/08/04/55/499080455.db2.gz NAUIPJAMSBAKGL-PXNSSMCTSA-N 1 2 368.868 3.185 20 30 FGEDLO C[N@H+]1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274044 499080457 /nfs/dbraw/zinc/08/04/57/499080457.db2.gz NAUIPJAMSBAKGL-PXNSSMCTSA-N 1 2 368.868 3.185 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000329254170 499084707 /nfs/dbraw/zinc/08/47/07/499084707.db2.gz ACSMAMPUNIJOKX-HNNXBMFYSA-N 1 2 364.453 3.215 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329279989 499091028 /nfs/dbraw/zinc/09/10/28/499091028.db2.gz LWKQRIWBLAEXRS-KZNAEPCWSA-N 1 2 352.519 3.285 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329279989 499091033 /nfs/dbraw/zinc/09/10/33/499091033.db2.gz LWKQRIWBLAEXRS-KZNAEPCWSA-N 1 2 352.519 3.285 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C)O1 ZINC000329389477 499113503 /nfs/dbraw/zinc/11/35/03/499113503.db2.gz ULACVHSGDLIANI-ZFWWWQNUSA-N 1 2 352.504 3.174 20 30 FGEDLO Cc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000329388328 499113748 /nfs/dbraw/zinc/11/37/48/499113748.db2.gz RHGUCUFDTIYNQR-CVEARBPZSA-N 1 2 373.501 3.106 20 30 FGEDLO COc1cccc([C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2nccn2C)c1 ZINC000366918926 499115451 /nfs/dbraw/zinc/11/54/51/499115451.db2.gz AUYCHHVGAUYTSZ-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329406627 499116505 /nfs/dbraw/zinc/11/65/05/499116505.db2.gz ZLTMMTDSWIXTCT-AEFFLSMTSA-N 1 2 350.503 3.468 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329406627 499116508 /nfs/dbraw/zinc/11/65/08/499116508.db2.gz ZLTMMTDSWIXTCT-AEFFLSMTSA-N 1 2 350.503 3.468 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(OC)c1 ZINC000367070585 499143404 /nfs/dbraw/zinc/14/34/04/499143404.db2.gz FGDHEGVNYSPKDP-UHFFFAOYSA-N 1 2 367.449 3.165 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000367293587 499174668 /nfs/dbraw/zinc/17/46/68/499174668.db2.gz ZIAKVZFBSWHPQO-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000367293587 499174669 /nfs/dbraw/zinc/17/46/69/499174669.db2.gz ZIAKVZFBSWHPQO-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000372781240 499174863 /nfs/dbraw/zinc/17/48/63/499174863.db2.gz MRIXTLCZWQVWRN-HNNXBMFYSA-N 1 2 371.510 3.468 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000372781240 499174866 /nfs/dbraw/zinc/17/48/66/499174866.db2.gz MRIXTLCZWQVWRN-HNNXBMFYSA-N 1 2 371.510 3.468 20 30 FGEDLO Cc1ccccc1-n1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nn1 ZINC000367319235 499180477 /nfs/dbraw/zinc/18/04/77/499180477.db2.gz UIHXWNWMVYMVLE-UHFFFAOYSA-N 1 2 358.449 3.028 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370225528 499199271 /nfs/dbraw/zinc/19/92/71/499199271.db2.gz VJXBQSZEXJFHNY-HLLBOEOZSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370225528 499199272 /nfs/dbraw/zinc/19/92/72/499199272.db2.gz VJXBQSZEXJFHNY-HLLBOEOZSA-N 1 2 359.495 3.130 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000370576734 499232987 /nfs/dbraw/zinc/23/29/87/499232987.db2.gz VWOSBRSPWXUOTI-GOSISDBHSA-N 1 2 367.428 3.001 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000370610891 499235312 /nfs/dbraw/zinc/23/53/12/499235312.db2.gz RJYUCGISGAJIFZ-KRWDZBQOSA-N 1 2 352.344 3.089 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367816694 499235524 /nfs/dbraw/zinc/23/55/24/499235524.db2.gz UQLLZOXBKKQJGV-SUMWQHHRSA-N 1 2 374.847 3.476 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CCC#N)c1cccc(F)c1 ZINC000367904237 499243731 /nfs/dbraw/zinc/24/37/31/499243731.db2.gz PDXBXEACQFZXIP-INIZCTEOSA-N 1 2 357.433 3.278 20 30 FGEDLO N#Cc1ccc(OCc2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000367932679 499247042 /nfs/dbraw/zinc/24/70/42/499247042.db2.gz QULSHCURUSVOQA-SFHVURJKSA-N 1 2 368.437 3.226 20 30 FGEDLO N#Cc1ccc(OCc2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000367932679 499247044 /nfs/dbraw/zinc/24/70/44/499247044.db2.gz QULSHCURUSVOQA-SFHVURJKSA-N 1 2 368.437 3.226 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)CCC2 ZINC000370953907 499274123 /nfs/dbraw/zinc/27/41/23/499274123.db2.gz PHXIZXWRYQGVGB-HKUYNNGSSA-N 1 2 366.465 3.160 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)OCC ZINC000371062710 499285122 /nfs/dbraw/zinc/28/51/22/499285122.db2.gz LHECHVTVRZYXBB-IEBWSBKVSA-N 1 2 357.454 3.006 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371543828 499339578 /nfs/dbraw/zinc/33/95/78/499339578.db2.gz PBEOBDKNPFTVNT-YPENRWOSSA-N 1 2 358.401 3.234 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371543828 499339580 /nfs/dbraw/zinc/33/95/80/499339580.db2.gz PBEOBDKNPFTVNT-YPENRWOSSA-N 1 2 358.401 3.234 20 30 FGEDLO N#C[C@H]1N(Cc2[nH+]ccn2Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000369304271 499389700 /nfs/dbraw/zinc/38/97/00/499389700.db2.gz ZZXZSYVSVYFLLE-CTNGQTDRSA-N 1 2 350.466 3.359 20 30 FGEDLO COc1ccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn2C)cc1 ZINC000372288779 499416855 /nfs/dbraw/zinc/41/68/55/499416855.db2.gz UKVRPBLUTBEKNM-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(F)(c3cccnc3)CC2)c(C#N)c1C ZINC000375336136 499508330 /nfs/dbraw/zinc/50/83/30/499508330.db2.gz HGSXJTKGHNPKKN-AWEZNQCLSA-N 1 2 370.428 3.451 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)c(OC)c1 ZINC000378533528 499529081 /nfs/dbraw/zinc/52/90/81/499529081.db2.gz WQRLZRQNORGFOY-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376139662 499586086 /nfs/dbraw/zinc/58/60/86/499586086.db2.gz KBWZUSZURGRFQF-QILLFSRXSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376139662 499586088 /nfs/dbraw/zinc/58/60/88/499586088.db2.gz KBWZUSZURGRFQF-QILLFSRXSA-N 1 2 353.388 3.295 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)n1cnc(C#N)n1 ZINC000409790731 499621876 /nfs/dbraw/zinc/62/18/76/499621876.db2.gz OTNKZJKDXYAUFR-LBPRGKRZSA-N 1 2 363.425 3.273 20 30 FGEDLO COc1cc(C#N)ccc1OC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377039249 499655885 /nfs/dbraw/zinc/65/58/85/499655885.db2.gz GAQJXWYBSOZYBU-MRXNPFEDSA-N 1 2 351.406 3.092 20 30 FGEDLO O=C(C1CC[NH+](CC(F)F)CC1)N(CCC(F)(F)F)CC(F)(F)F ZINC000410797255 499679544 /nfs/dbraw/zinc/67/95/44/499679544.db2.gz NNYSOQMIDGIFEK-UHFFFAOYSA-N 1 2 370.284 3.307 20 30 FGEDLO CCC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CCC#N ZINC000411196281 499709604 /nfs/dbraw/zinc/70/96/04/499709604.db2.gz BGPMFBOOMTZRSO-CQSZACIVSA-N 1 2 366.303 3.422 20 30 FGEDLO CCC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CCC#N ZINC000411196281 499709606 /nfs/dbraw/zinc/70/96/06/499709606.db2.gz BGPMFBOOMTZRSO-CQSZACIVSA-N 1 2 366.303 3.422 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000573301842 506166093 /nfs/dbraw/zinc/16/60/93/506166093.db2.gz CMTLZVQXCDLOIJ-INIZCTEOSA-N 1 2 358.269 3.112 20 30 FGEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1C ZINC000428957906 499969182 /nfs/dbraw/zinc/96/91/82/499969182.db2.gz RWWIOQLFZZZFCV-UHFFFAOYSA-N 1 2 370.428 3.216 20 30 FGEDLO CN(C(=O)C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1)C1(C#N)CCCCC1 ZINC000429255447 500035231 /nfs/dbraw/zinc/03/52/31/500035231.db2.gz PZGKHBFPWNPFNN-UHFFFAOYSA-N 1 2 372.391 3.203 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000425212253 500045123 /nfs/dbraw/zinc/04/51/23/500045123.db2.gz ZOSAUHXDNIUYTA-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425236932 500052699 /nfs/dbraw/zinc/05/26/99/500052699.db2.gz QZMWMWZGCMIBGE-CQSZACIVSA-N 1 2 368.403 3.279 20 30 FGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425443196 500107861 /nfs/dbraw/zinc/10/78/61/500107861.db2.gz LCFYOPRYEMJVRR-UHFFFAOYSA-N 1 2 368.231 3.109 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425537226 500137304 /nfs/dbraw/zinc/13/73/04/500137304.db2.gz QCYNIGCFWNRMJL-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425537226 500137307 /nfs/dbraw/zinc/13/73/07/500137307.db2.gz QCYNIGCFWNRMJL-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000576537079 506181188 /nfs/dbraw/zinc/18/11/88/506181188.db2.gz LXLSBOFSHLPDEM-UHFFFAOYSA-N 1 2 354.429 3.155 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000573369806 506182052 /nfs/dbraw/zinc/18/20/52/506182052.db2.gz NVQVKVXEWVUGNJ-OAHLLOKOSA-N 1 2 361.445 3.441 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000573369806 506182056 /nfs/dbraw/zinc/18/20/56/506182056.db2.gz NVQVKVXEWVUGNJ-OAHLLOKOSA-N 1 2 361.445 3.441 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419304837 500350744 /nfs/dbraw/zinc/35/07/44/500350744.db2.gz QGYWGDXQFWGQKI-UHFFFAOYSA-N 1 2 359.495 3.274 20 30 FGEDLO Cc1[nH]nc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000431683724 500408088 /nfs/dbraw/zinc/40/80/88/500408088.db2.gz ZTTNDEJAQLFOKX-UHFFFAOYSA-N 1 2 359.433 3.231 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)nn1 ZINC000424293644 500482494 /nfs/dbraw/zinc/48/24/94/500482494.db2.gz JAUNUIUEQYBWGN-CQSZACIVSA-N 1 2 351.223 3.143 20 30 FGEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](CC)O1 ZINC000420963295 500542204 /nfs/dbraw/zinc/54/22/04/500542204.db2.gz VHFHONCZFKMOJT-ATZDWAIDSA-N 1 2 361.461 3.350 20 30 FGEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H](CC)O1 ZINC000420963300 500542568 /nfs/dbraw/zinc/54/25/68/500542568.db2.gz VHFHONCZFKMOJT-KFKAGJAMSA-N 1 2 361.461 3.350 20 30 FGEDLO CCn1c2ccccc2[nH+]c1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000432742941 500556238 /nfs/dbraw/zinc/55/62/38/500556238.db2.gz RGCLXFVVYZIELQ-UHFFFAOYSA-N 1 2 371.448 3.262 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421043556 500563329 /nfs/dbraw/zinc/56/33/29/500563329.db2.gz QZKZNSLYWIDGGE-QVKFZJNVSA-N 1 2 373.497 3.111 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421043556 500563331 /nfs/dbraw/zinc/56/33/31/500563331.db2.gz QZKZNSLYWIDGGE-QVKFZJNVSA-N 1 2 373.497 3.111 20 30 FGEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126159 500605374 /nfs/dbraw/zinc/60/53/74/500605374.db2.gz RDTKCGDCBNFQBI-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccc2nc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126159 500605375 /nfs/dbraw/zinc/60/53/75/500605375.db2.gz RDTKCGDCBNFQBI-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@](=O)C1 ZINC000433021420 500607788 /nfs/dbraw/zinc/60/77/88/500607788.db2.gz GLGLXCCAHHRZCK-QUGAMOGWSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@](=O)C1 ZINC000433021420 500607792 /nfs/dbraw/zinc/60/77/92/500607792.db2.gz GLGLXCCAHHRZCK-QUGAMOGWSA-N 1 2 368.502 3.338 20 30 FGEDLO CC[C@@]1(C)C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 ZINC000442875976 500637829 /nfs/dbraw/zinc/63/78/29/500637829.db2.gz QBWZMVMCJKHRSQ-IBGZPJMESA-N 1 2 363.889 3.396 20 30 FGEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 ZINC000442875976 500637833 /nfs/dbraw/zinc/63/78/33/500637833.db2.gz QBWZMVMCJKHRSQ-IBGZPJMESA-N 1 2 363.889 3.396 20 30 FGEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000437611228 500668834 /nfs/dbraw/zinc/66/88/34/500668834.db2.gz ZZCHTQLIPUWCKN-UHFFFAOYSA-N 1 2 352.381 3.467 20 30 FGEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000437611228 500668838 /nfs/dbraw/zinc/66/88/38/500668838.db2.gz ZZCHTQLIPUWCKN-UHFFFAOYSA-N 1 2 352.381 3.467 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433321102 500671569 /nfs/dbraw/zinc/67/15/69/500671569.db2.gz WVNAJIVBKNZYHB-KRWDZBQOSA-N 1 2 374.893 3.475 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433321102 500671570 /nfs/dbraw/zinc/67/15/70/500671570.db2.gz WVNAJIVBKNZYHB-KRWDZBQOSA-N 1 2 374.893 3.475 20 30 FGEDLO CCOc1ccccc1CN1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000443063362 500672126 /nfs/dbraw/zinc/67/21/26/500672126.db2.gz DFXWGKAFKAKSHR-QGZVFWFLSA-N 1 2 352.482 3.002 20 30 FGEDLO CCOc1ccccc1CN1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000443063362 500672129 /nfs/dbraw/zinc/67/21/29/500672129.db2.gz DFXWGKAFKAKSHR-QGZVFWFLSA-N 1 2 352.482 3.002 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000443064505 500672224 /nfs/dbraw/zinc/67/22/24/500672224.db2.gz OWIDELQXJSCTTR-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000443064505 500672226 /nfs/dbraw/zinc/67/22/26/500672226.db2.gz OWIDELQXJSCTTR-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO Cc1cc(F)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000448577922 500775617 /nfs/dbraw/zinc/77/56/17/500775617.db2.gz LRYSWQAAKOPBDM-UHFFFAOYSA-N 1 2 369.415 3.032 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448689869 500804601 /nfs/dbraw/zinc/80/46/01/500804601.db2.gz JLUHXZNCMRQAOT-KRWDZBQOSA-N 1 2 374.847 3.256 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCCCC1 ZINC000448709774 500810952 /nfs/dbraw/zinc/81/09/52/500810952.db2.gz QSONRCKGXGETKT-KRWDZBQOSA-N 1 2 357.498 3.450 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611575309 506219494 /nfs/dbraw/zinc/21/94/94/506219494.db2.gz FZNJKZQXCKGMJR-SFHVURJKSA-N 1 2 364.367 3.492 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611575309 506219496 /nfs/dbraw/zinc/21/94/96/506219496.db2.gz FZNJKZQXCKGMJR-SFHVURJKSA-N 1 2 364.367 3.492 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434621815 500867580 /nfs/dbraw/zinc/86/75/80/500867580.db2.gz XOJOACMADCMOEE-GOSISDBHSA-N 1 2 357.425 3.189 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000434621815 500867582 /nfs/dbraw/zinc/86/75/82/500867582.db2.gz XOJOACMADCMOEE-GOSISDBHSA-N 1 2 357.425 3.189 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000611579920 506221874 /nfs/dbraw/zinc/22/18/74/506221874.db2.gz ZTOHQZXPYXDUDN-HNNXBMFYSA-N 1 2 371.815 3.290 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000611579920 506221880 /nfs/dbraw/zinc/22/18/80/506221880.db2.gz ZTOHQZXPYXDUDN-HNNXBMFYSA-N 1 2 371.815 3.290 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439512 500896910 /nfs/dbraw/zinc/89/69/10/500896910.db2.gz MJHALTTUVZQHQQ-MGPUTAFESA-N 1 2 362.820 3.057 20 30 FGEDLO N#Cc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439512 500896912 /nfs/dbraw/zinc/89/69/12/500896912.db2.gz MJHALTTUVZQHQQ-MGPUTAFESA-N 1 2 362.820 3.057 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000439487104 500905685 /nfs/dbraw/zinc/90/56/85/500905685.db2.gz ZVTUQVYPOOHSKK-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000439487104 500905689 /nfs/dbraw/zinc/90/56/89/500905689.db2.gz ZVTUQVYPOOHSKK-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO CCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000588198375 506229764 /nfs/dbraw/zinc/22/97/64/506229764.db2.gz ILSYVODZQWDSJO-UHFFFAOYSA-N 1 2 364.287 3.201 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1Cl ZINC000449527884 501025370 /nfs/dbraw/zinc/02/53/70/501025370.db2.gz LRYUYPJQNUADQW-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1Cl ZINC000449527884 501025374 /nfs/dbraw/zinc/02/53/74/501025374.db2.gz LRYUYPJQNUADQW-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927875 501047460 /nfs/dbraw/zinc/04/74/60/501047460.db2.gz NVFNRFIEBWUQEQ-LPHOPBHVSA-N 1 2 371.431 3.456 20 30 FGEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(Cl)c1 ZINC000436268215 501098716 /nfs/dbraw/zinc/09/87/16/501098716.db2.gz ZRLIPNRNYNJCST-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(Cl)c1 ZINC000436268215 501098718 /nfs/dbraw/zinc/09/87/18/501098718.db2.gz ZRLIPNRNYNJCST-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC000436268215 501098721 /nfs/dbraw/zinc/09/87/21/501098721.db2.gz ZRLIPNRNYNJCST-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC000436268215 501098723 /nfs/dbraw/zinc/09/87/23/501098723.db2.gz ZRLIPNRNYNJCST-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO COC(=O)[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000602624703 506237032 /nfs/dbraw/zinc/23/70/32/506237032.db2.gz QALWQNLYROAJSF-WDIPEOLASA-N 1 2 351.244 3.335 20 30 FGEDLO CC(C)Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000446930230 501182935 /nfs/dbraw/zinc/18/29/35/501182935.db2.gz VGCCGJJPKXCRLM-UHFFFAOYSA-N 1 2 357.889 3.386 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450253811 501219814 /nfs/dbraw/zinc/21/98/14/501219814.db2.gz QEZZRQODIDRIKX-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017385 501239463 /nfs/dbraw/zinc/23/94/63/501239463.db2.gz NPSCYUAVYBPQLK-CXAGYDPISA-N 1 2 373.888 3.361 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017385 501239464 /nfs/dbraw/zinc/23/94/64/501239464.db2.gz NPSCYUAVYBPQLK-CXAGYDPISA-N 1 2 373.888 3.361 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)s1 ZINC000455268870 501259442 /nfs/dbraw/zinc/25/94/42/501259442.db2.gz DILBUZZJMJNTNQ-HOTGVXAUSA-N 1 2 360.527 3.220 20 30 FGEDLO C=CCNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451381087 501280141 /nfs/dbraw/zinc/28/01/41/501280141.db2.gz FPJBIOMLEWNGLM-UHFFFAOYSA-N 1 2 363.383 3.405 20 30 FGEDLO C=CCNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000451381087 501280142 /nfs/dbraw/zinc/28/01/42/501280142.db2.gz FPJBIOMLEWNGLM-UHFFFAOYSA-N 1 2 363.383 3.405 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000451938146 501404588 /nfs/dbraw/zinc/40/45/88/501404588.db2.gz IFRONBMPJBHXBD-FQEVSTJZSA-N 1 2 364.445 3.154 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1cccc(F)c1 ZINC000596108405 506263223 /nfs/dbraw/zinc/26/32/23/506263223.db2.gz JSFYNLQGXMCGIG-KRWDZBQOSA-N 1 2 369.444 3.422 20 30 FGEDLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459450410 501656131 /nfs/dbraw/zinc/65/61/31/501656131.db2.gz AHOQLAFYDLLGTA-JSGCOSHPSA-N 1 2 363.483 3.016 20 30 FGEDLO Cc1nsc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000459575125 501679734 /nfs/dbraw/zinc/67/97/34/501679734.db2.gz ZHASCZFOXRAADO-ZDUSSCGKSA-N 1 2 370.482 3.268 20 30 FGEDLO N#CC1(F)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000455112986 501690226 /nfs/dbraw/zinc/69/02/26/501690226.db2.gz WHNCYLFNNHQOKI-UHFFFAOYSA-N 1 2 361.808 3.063 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@H](C)O[C@@H](CC)C3)c2C#N)C[C@@H](C)O1 ZINC000596119063 506268024 /nfs/dbraw/zinc/26/80/24/506268024.db2.gz KARIGYIYZCZCJS-XDNAFOTISA-N 1 2 372.513 3.269 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459731020 501705846 /nfs/dbraw/zinc/70/58/46/501705846.db2.gz SRXRXYSIJBCOLZ-RDJZCZTQSA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459731020 501705849 /nfs/dbraw/zinc/70/58/49/501705849.db2.gz SRXRXYSIJBCOLZ-RDJZCZTQSA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCSc1ccccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000485465313 501828823 /nfs/dbraw/zinc/82/88/23/501828823.db2.gz IAIVWJROFNQOJN-UHFFFAOYSA-N 1 2 369.490 3.126 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000470908180 501851221 /nfs/dbraw/zinc/85/12/21/501851221.db2.gz GUFCQGHTSPSZPK-UHFFFAOYSA-N 1 2 352.394 3.346 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000470908180 501851225 /nfs/dbraw/zinc/85/12/25/501851225.db2.gz GUFCQGHTSPSZPK-UHFFFAOYSA-N 1 2 352.394 3.346 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000582534524 506279572 /nfs/dbraw/zinc/27/95/72/506279572.db2.gz DILWGAQPDJLAHA-VQTJNVASSA-N 1 2 357.498 3.186 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000582534524 506279578 /nfs/dbraw/zinc/27/95/78/506279578.db2.gz DILWGAQPDJLAHA-VQTJNVASSA-N 1 2 357.498 3.186 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000474704653 501928859 /nfs/dbraw/zinc/92/88/59/501928859.db2.gz ZRWAIXLHGJFMNF-UHFFFAOYSA-N 1 2 354.360 3.153 20 30 FGEDLO CC(C)c1nnc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000478282225 501931009 /nfs/dbraw/zinc/93/10/09/501931009.db2.gz YZWCMNRUGIYRTD-UHFFFAOYSA-N 1 2 352.467 3.223 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468139509 501970854 /nfs/dbraw/zinc/97/08/54/501970854.db2.gz BUSROPJGMDDDHQ-HXUWFJFHSA-N 1 2 365.502 3.182 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468139509 501970859 /nfs/dbraw/zinc/97/08/59/501970859.db2.gz BUSROPJGMDDDHQ-HXUWFJFHSA-N 1 2 365.502 3.182 20 30 FGEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508672 502093077 /nfs/dbraw/zinc/09/30/77/502093077.db2.gz OKOYUOZDPZTDQV-DOTOQJQBSA-N 1 2 360.454 3.151 20 30 FGEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508672 502093079 /nfs/dbraw/zinc/09/30/79/502093079.db2.gz OKOYUOZDPZTDQV-DOTOQJQBSA-N 1 2 360.454 3.151 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)CC2)c1C#N ZINC000471822769 502146004 /nfs/dbraw/zinc/14/60/04/502146004.db2.gz BSOAOXOZZBJYIE-UHFFFAOYSA-N 1 2 362.481 3.021 20 30 FGEDLO CC#CCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000482740483 502167027 /nfs/dbraw/zinc/16/70/27/502167027.db2.gz IJOHMLXBFPKMJL-MRXNPFEDSA-N 1 2 351.853 3.329 20 30 FGEDLO Cc1cc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1 ZINC000602786950 506297821 /nfs/dbraw/zinc/29/78/21/506297821.db2.gz XXQASRAQMLDBQC-UHFFFAOYSA-N 1 2 351.454 3.066 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000479283197 502214448 /nfs/dbraw/zinc/21/44/48/502214448.db2.gz LZJMARXUQHEPJV-UHFFFAOYSA-N 1 2 370.501 3.213 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000582577499 506305627 /nfs/dbraw/zinc/30/56/27/506305627.db2.gz UBQJCIFZTQIEIA-IBGZPJMESA-N 1 2 374.529 3.078 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000582577499 506305632 /nfs/dbraw/zinc/30/56/32/506305632.db2.gz UBQJCIFZTQIEIA-IBGZPJMESA-N 1 2 374.529 3.078 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483235240 502322208 /nfs/dbraw/zinc/32/22/08/502322208.db2.gz SLENHNKMIXHXNY-OAHLLOKOSA-N 1 2 364.232 3.127 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082298 506315126 /nfs/dbraw/zinc/31/51/26/506315126.db2.gz BDCHKLORANXACA-GDBMZVCRSA-N 1 2 351.372 3.042 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082298 506315134 /nfs/dbraw/zinc/31/51/34/506315134.db2.gz BDCHKLORANXACA-GDBMZVCRSA-N 1 2 351.372 3.042 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)s1 ZINC000487552203 502476192 /nfs/dbraw/zinc/47/61/92/502476192.db2.gz XLVPOELAPSGWBJ-UHFFFAOYSA-N 1 2 354.479 3.393 20 30 FGEDLO CC[C@@H]1CN(c2[nH+]c(C)cc(N3CCCO[C@@H](CC)C3)c2C#N)CCCO1 ZINC000596220666 506317763 /nfs/dbraw/zinc/31/77/63/506317763.db2.gz QIVJIZIOMUPIHO-ZWKOTPCHSA-N 1 2 372.513 3.272 20 30 FGEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854358 506327332 /nfs/dbraw/zinc/32/73/32/506327332.db2.gz BLXVWJKXPKHGQS-MJBXVCDLSA-N 1 2 359.861 3.369 20 30 FGEDLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854358 506327342 /nfs/dbraw/zinc/32/73/42/506327342.db2.gz BLXVWJKXPKHGQS-MJBXVCDLSA-N 1 2 359.861 3.369 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000602864531 506331328 /nfs/dbraw/zinc/33/13/28/506331328.db2.gz RTKXPUIPYANQNN-OCCSQVGLSA-N 1 2 358.492 3.379 20 30 FGEDLO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)CC#N)[C@H](c3ccco3)C2)cc1 ZINC000602871216 506332295 /nfs/dbraw/zinc/33/22/95/506332295.db2.gz ZKPZJLOAKOABOG-YJBOKZPZSA-N 1 2 350.422 3.158 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000602870849 506332470 /nfs/dbraw/zinc/33/24/70/506332470.db2.gz XWDGCSIBBSDBLX-HNNXBMFYSA-N 1 2 361.449 3.058 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000484938345 502782250 /nfs/dbraw/zinc/78/22/50/502782250.db2.gz XIOHBOQNBCYWMQ-UHFFFAOYSA-N 1 2 362.458 3.212 20 30 FGEDLO C=CCn1cccc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000488804714 502812230 /nfs/dbraw/zinc/81/22/30/502812230.db2.gz KICUAJSORURCBG-UHFFFAOYSA-N 1 2 360.461 3.312 20 30 FGEDLO Cc1cccc2[nH]cc(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000504966889 502832605 /nfs/dbraw/zinc/83/26/05/502832605.db2.gz GZZLPGNMOZMOTK-UHFFFAOYSA-N 1 2 372.472 3.235 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000505000470 502837455 /nfs/dbraw/zinc/83/74/55/502837455.db2.gz FKKXLOPAYDFRHF-IBGZPJMESA-N 1 2 356.514 3.049 20 30 FGEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000513149795 502863942 /nfs/dbraw/zinc/86/39/42/502863942.db2.gz NBGDJDUSTZAPGL-OAHLLOKOSA-N 1 2 351.244 3.121 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889529 506339910 /nfs/dbraw/zinc/33/99/10/506339910.db2.gz WMIRVWRJZZANPB-AZUAARDMSA-N 1 2 372.428 3.205 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889529 506339921 /nfs/dbraw/zinc/33/99/21/506339921.db2.gz WMIRVWRJZZANPB-AZUAARDMSA-N 1 2 372.428 3.205 20 30 FGEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000593021233 506340933 /nfs/dbraw/zinc/34/09/33/506340933.db2.gz RFAHOIIQXHKXCR-LLVKDONJSA-N 1 2 359.357 3.474 20 30 FGEDLO CS(=O)(=O)c1cccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602897676 506341482 /nfs/dbraw/zinc/34/14/82/506341482.db2.gz BJJHYDAKXNCWAB-UHFFFAOYSA-N 1 2 369.490 3.038 20 30 FGEDLO CC(=O)Nc1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602894471 506341665 /nfs/dbraw/zinc/34/16/65/506341665.db2.gz CHIMIVUPNPIELE-UHFFFAOYSA-N 1 2 355.467 3.050 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602910291 506348562 /nfs/dbraw/zinc/34/85/62/506348562.db2.gz PUEZNQIMAGNPCG-HNNXBMFYSA-N 1 2 369.469 3.449 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513918805 503049241 /nfs/dbraw/zinc/04/92/41/503049241.db2.gz PIBQAUIWILBDOP-FQEVSTJZSA-N 1 2 368.477 3.084 20 30 FGEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000506112669 503050921 /nfs/dbraw/zinc/05/09/21/503050921.db2.gz MPUKQWBCEUHLLQ-UHFFFAOYSA-N 1 2 371.488 3.370 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510351347 503096983 /nfs/dbraw/zinc/09/69/83/503096983.db2.gz GXXDZNDNJRPHQY-GOSISDBHSA-N 1 2 354.454 3.278 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000514600874 503146194 /nfs/dbraw/zinc/14/61/94/503146194.db2.gz UPNXXENUZSVGCK-JSGCOSHPSA-N 1 2 362.393 3.298 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c(F)c1 ZINC000506651896 503150725 /nfs/dbraw/zinc/15/07/25/503150725.db2.gz CARYOPBDHDHLPY-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c(F)c1 ZINC000506651896 503150729 /nfs/dbraw/zinc/15/07/29/503150729.db2.gz CARYOPBDHDHLPY-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)s2)o1 ZINC000506663236 503151923 /nfs/dbraw/zinc/15/19/23/503151923.db2.gz QRKNNALUHSNDND-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000506909298 503193050 /nfs/dbraw/zinc/19/30/50/503193050.db2.gz KDYLEHINWUDLCN-HXUWFJFHSA-N 1 2 367.424 3.124 20 30 FGEDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000506909298 503193054 /nfs/dbraw/zinc/19/30/54/503193054.db2.gz KDYLEHINWUDLCN-HXUWFJFHSA-N 1 2 367.424 3.124 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000510888751 503211111 /nfs/dbraw/zinc/21/11/11/503211111.db2.gz XMTPLWZBUCWMJL-LJQANCHMSA-N 1 2 351.425 3.372 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000511119545 503260989 /nfs/dbraw/zinc/26/09/89/503260989.db2.gz AGLNNHKJPJFGOG-UHFFFAOYSA-N 1 2 372.450 3.258 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000511119545 503260994 /nfs/dbraw/zinc/26/09/94/503260994.db2.gz AGLNNHKJPJFGOG-UHFFFAOYSA-N 1 2 372.450 3.258 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000515387790 503328889 /nfs/dbraw/zinc/32/88/89/503328889.db2.gz JQEUKCLFIMCDDQ-GFCCVEGCSA-N 1 2 366.343 3.365 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)cc1 ZINC000593058510 506365322 /nfs/dbraw/zinc/36/53/22/506365322.db2.gz NHXCEGCCPWSNNJ-HKUYNNGSSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CC)OC[C@@H]2CC)cc1 ZINC000593058510 506365327 /nfs/dbraw/zinc/36/53/27/506365327.db2.gz NHXCEGCCPWSNNJ-HKUYNNGSSA-N 1 2 373.497 3.221 20 30 FGEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)no1 ZINC000515494840 503350985 /nfs/dbraw/zinc/35/09/85/503350985.db2.gz OXAQRHRYPHIHPQ-UHFFFAOYSA-N 1 2 357.410 3.169 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000507787872 503365450 /nfs/dbraw/zinc/36/54/50/503365450.db2.gz VTHOFHGCLAFERV-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503218289 503369558 /nfs/dbraw/zinc/36/95/58/503369558.db2.gz PXERMGZJYHUYNU-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503218289 503369564 /nfs/dbraw/zinc/36/95/64/503369564.db2.gz PXERMGZJYHUYNU-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000508316798 503473720 /nfs/dbraw/zinc/47/37/20/503473720.db2.gz MKJJWQBUHIMHLE-QGZVFWFLSA-N 1 2 363.461 3.303 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000508316798 503473723 /nfs/dbraw/zinc/47/37/23/503473723.db2.gz MKJJWQBUHIMHLE-QGZVFWFLSA-N 1 2 363.461 3.303 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494245271 503511572 /nfs/dbraw/zinc/51/15/72/503511572.db2.gz PTZRZHMFFBQWDD-MRXNPFEDSA-N 1 2 370.266 3.074 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494245271 503511576 /nfs/dbraw/zinc/51/15/76/503511576.db2.gz PTZRZHMFFBQWDD-MRXNPFEDSA-N 1 2 370.266 3.074 20 30 FGEDLO N#CCc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000512299764 503513481 /nfs/dbraw/zinc/51/34/81/503513481.db2.gz OKWFEFWGKLENCJ-UHFFFAOYSA-N 1 2 373.416 3.230 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000494699748 503594506 /nfs/dbraw/zinc/59/45/06/503594506.db2.gz RRYFLHRIQGGWDK-WOJBJXKFSA-N 1 2 357.498 3.118 20 30 FGEDLO CSCC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nnc2ccccn21 ZINC000494798686 503613366 /nfs/dbraw/zinc/61/33/66/503613366.db2.gz ZZOVZCBUHSEYIT-OAHLLOKOSA-N 1 2 355.442 3.324 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000533238531 503772677 /nfs/dbraw/zinc/77/26/77/503772677.db2.gz UMQFIQDYNCVEQF-HXUWFJFHSA-N 1 2 368.477 3.034 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000533238531 503772685 /nfs/dbraw/zinc/77/26/85/503772685.db2.gz UMQFIQDYNCVEQF-HXUWFJFHSA-N 1 2 368.477 3.034 20 30 FGEDLO C=CCOc1cccnc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000540475546 503783398 /nfs/dbraw/zinc/78/33/98/503783398.db2.gz OKZVTLXIJRZPLL-UHFFFAOYSA-N 1 2 358.467 3.341 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 ZINC000543544200 503807716 /nfs/dbraw/zinc/80/77/16/503807716.db2.gz WURWSNTWGPBOJW-GFCCVEGCSA-N 1 2 370.457 3.072 20 30 FGEDLO Cn1cc([C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)cn1 ZINC000537176089 503827466 /nfs/dbraw/zinc/82/74/66/503827466.db2.gz PYYLQOBTKGGCQN-KRWDZBQOSA-N 1 2 350.426 3.219 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccccn4)CC3)o2)cc1 ZINC000533529964 503877720 /nfs/dbraw/zinc/87/77/20/503877720.db2.gz RZGKSUGOFZQFHT-UHFFFAOYSA-N 1 2 361.405 3.047 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533530835 503877777 /nfs/dbraw/zinc/87/77/77/503877777.db2.gz LBIJENDWROHJDW-HNNXBMFYSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533530835 503877778 /nfs/dbraw/zinc/87/77/78/503877778.db2.gz LBIJENDWROHJDW-HNNXBMFYSA-N 1 2 356.491 3.415 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C#N)CC2)c(C)c1 ZINC000533543333 503883094 /nfs/dbraw/zinc/88/30/94/503883094.db2.gz UMERLBVDEMAABY-IBGZPJMESA-N 1 2 351.454 3.186 20 30 FGEDLO N#CC1(CCC[S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000543787181 503892676 /nfs/dbraw/zinc/89/26/76/503892676.db2.gz IVUXCXGPVUDQQG-AREMUKBSSA-N 1 2 371.506 3.281 20 30 FGEDLO N#CCC1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000543830077 503906680 /nfs/dbraw/zinc/90/66/80/503906680.db2.gz QTCAKUPEWBEJKS-UHFFFAOYSA-N 1 2 353.426 3.120 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952025 503948550 /nfs/dbraw/zinc/94/85/50/503948550.db2.gz XQBCJVRKUXBEOW-ZDXVLGQRSA-N 1 2 365.399 3.295 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952025 503948557 /nfs/dbraw/zinc/94/85/57/503948557.db2.gz XQBCJVRKUXBEOW-ZDXVLGQRSA-N 1 2 365.399 3.295 20 30 FGEDLO N#CCC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000541019191 503976785 /nfs/dbraw/zinc/97/67/85/503976785.db2.gz BFDBFHUEJXJZTN-UHFFFAOYSA-N 1 2 354.479 3.450 20 30 FGEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620025 503978968 /nfs/dbraw/zinc/97/89/68/503978968.db2.gz NXAQYUVSUBGDAK-IEBWSBKVSA-N 1 2 366.465 3.150 20 30 FGEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620025 503978971 /nfs/dbraw/zinc/97/89/71/503978971.db2.gz NXAQYUVSUBGDAK-IEBWSBKVSA-N 1 2 366.465 3.150 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848299 504078183 /nfs/dbraw/zinc/07/81/83/504078183.db2.gz ADNKGFHPUAPYPZ-OLZOCXBDSA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848299 504078187 /nfs/dbraw/zinc/07/81/87/504078187.db2.gz ADNKGFHPUAPYPZ-OLZOCXBDSA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000528351773 504183359 /nfs/dbraw/zinc/18/33/59/504183359.db2.gz AZPFYVUFGKDRFY-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000528351773 504183360 /nfs/dbraw/zinc/18/33/60/504183360.db2.gz AZPFYVUFGKDRFY-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000519577220 504259712 /nfs/dbraw/zinc/25/97/12/504259712.db2.gz DJCRFYYUZNJXSF-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000548164751 504354519 /nfs/dbraw/zinc/35/45/19/504354519.db2.gz CSLXCOJJYRXYLV-LJQANCHMSA-N 1 2 355.392 3.407 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1C ZINC000548426015 504441510 /nfs/dbraw/zinc/44/15/10/504441510.db2.gz DANMJQLQHHNVBM-JXFKEZNVSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1C ZINC000548426015 504441512 /nfs/dbraw/zinc/44/15/12/504441512.db2.gz DANMJQLQHHNVBM-JXFKEZNVSA-N 1 2 355.482 3.049 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2[C@H](C)C[C@H]2C)cc1 ZINC000548752604 504553015 /nfs/dbraw/zinc/55/30/15/504553015.db2.gz KNXDUXSLZPNFOE-ZIAGYGMSSA-N 1 2 366.465 3.396 20 30 FGEDLO COCc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC000529213476 504586309 /nfs/dbraw/zinc/58/63/09/504586309.db2.gz NMPYUSNCNSWIMI-UHFFFAOYSA-N 1 2 368.437 3.389 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542880755 504644761 /nfs/dbraw/zinc/64/47/61/504644761.db2.gz GTZJNVIDTJUNAR-ZDUSSCGKSA-N 1 2 363.483 3.186 20 30 FGEDLO Cc1cccc2[nH+]cc(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)n21 ZINC000542925046 504660505 /nfs/dbraw/zinc/66/05/05/504660505.db2.gz YVPCRMJTACMOJC-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO CCc1nnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)c1CC ZINC000543048331 504703235 /nfs/dbraw/zinc/70/32/35/504703235.db2.gz FXCSWPWSKLGJIO-UHFFFAOYSA-N 1 2 352.486 3.366 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccsc3Br)CC2)c1 ZINC000529521459 504709501 /nfs/dbraw/zinc/70/95/01/504709501.db2.gz OOTQRSYXYZMLGX-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543110601 504729162 /nfs/dbraw/zinc/72/91/62/504729162.db2.gz HHYUBOHUENZHLJ-UHFFFAOYSA-N 1 2 350.466 3.406 20 30 FGEDLO CS(=O)(=O)c1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000539923731 504739712 /nfs/dbraw/zinc/73/97/12/504739712.db2.gz JFHGFINOSZSLJA-UHFFFAOYSA-N 1 2 352.459 3.251 20 30 FGEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000539923731 504739715 /nfs/dbraw/zinc/73/97/15/504739715.db2.gz JFHGFINOSZSLJA-UHFFFAOYSA-N 1 2 352.459 3.251 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000532731226 504747211 /nfs/dbraw/zinc/74/72/11/504747211.db2.gz LXGWTJFMAYPIPR-FQEVSTJZSA-N 1 2 361.445 3.486 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000532731226 504747215 /nfs/dbraw/zinc/74/72/15/504747215.db2.gz LXGWTJFMAYPIPR-FQEVSTJZSA-N 1 2 361.445 3.486 20 30 FGEDLO N#Cc1cccc(-c2nnc(Cn3nc(C(F)(F)F)c4c[nH+]ccc43)o2)c1 ZINC000540038654 504763659 /nfs/dbraw/zinc/76/36/59/504763659.db2.gz JAPGTNUCIXEVAI-UHFFFAOYSA-N 1 2 370.294 3.420 20 30 FGEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536627909 504771204 /nfs/dbraw/zinc/77/12/04/504771204.db2.gz HDRMTDBDLAGJLT-UHFFFAOYSA-N 1 2 373.460 3.307 20 30 FGEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000536627909 504771206 /nfs/dbraw/zinc/77/12/06/504771206.db2.gz HDRMTDBDLAGJLT-UHFFFAOYSA-N 1 2 373.460 3.307 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000565047425 504780458 /nfs/dbraw/zinc/78/04/58/504780458.db2.gz DZBZKWUVRAHIHX-UHFFFAOYSA-N 1 2 350.466 3.154 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000565047425 504780461 /nfs/dbraw/zinc/78/04/61/504780461.db2.gz DZBZKWUVRAHIHX-UHFFFAOYSA-N 1 2 350.466 3.154 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549840896 504913882 /nfs/dbraw/zinc/91/38/82/504913882.db2.gz AASCUPJJYJEVBJ-CZUORRHYSA-N 1 2 350.425 3.231 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549840896 504913886 /nfs/dbraw/zinc/91/38/86/504913886.db2.gz AASCUPJJYJEVBJ-CZUORRHYSA-N 1 2 350.425 3.231 20 30 FGEDLO N#Cc1ncc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000556804985 504980112 /nfs/dbraw/zinc/98/01/12/504980112.db2.gz ZDAXJSQPJYWEIT-KRWDZBQOSA-N 1 2 372.881 3.335 20 30 FGEDLO C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000556927459 505020058 /nfs/dbraw/zinc/02/00/58/505020058.db2.gz MPCYUTLJWDPGBM-RDTXWAMCSA-N 1 2 352.413 3.035 20 30 FGEDLO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566425240 505172513 /nfs/dbraw/zinc/17/25/13/505172513.db2.gz XDLNZGNLBCTBID-UHFFFAOYSA-N 1 2 351.450 3.185 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000557871042 505251483 /nfs/dbraw/zinc/25/14/83/505251483.db2.gz VXIPSPDJVUICCY-UHFFFAOYSA-N 1 2 362.433 3.437 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(CC(F)(F)F)CC3)C2=O)cc1 ZINC000551711745 505289686 /nfs/dbraw/zinc/28/96/86/505289686.db2.gz LYHYMNFOMTTZPV-MRXNPFEDSA-N 1 2 351.372 3.328 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ncc(C#N)cc1C ZINC000551755393 505299284 /nfs/dbraw/zinc/29/92/84/505299284.db2.gz KHRAEYKXJAUEKL-KRWDZBQOSA-N 1 2 359.433 3.225 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000561506383 505363649 /nfs/dbraw/zinc/36/36/49/505363649.db2.gz ULKUJGSTEATUFI-UHFFFAOYSA-N 1 2 362.433 3.437 20 30 FGEDLO Cc1cc(Br)cn2cc(CNCc3nc(C#N)cs3)[nH+]c12 ZINC000558491574 505407175 /nfs/dbraw/zinc/40/71/75/505407175.db2.gz FLGSMYMENQHGNH-UHFFFAOYSA-N 1 2 362.256 3.023 20 30 FGEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1c1ncc[nH]1 ZINC000558574832 505427737 /nfs/dbraw/zinc/42/77/37/505427737.db2.gz DJSWKHWZBQUHTG-INIZCTEOSA-N 1 2 363.387 3.179 20 30 FGEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1c1ncc[nH]1 ZINC000558574832 505427739 /nfs/dbraw/zinc/42/77/39/505427739.db2.gz DJSWKHWZBQUHTG-INIZCTEOSA-N 1 2 363.387 3.179 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)c2C1 ZINC000567869570 505569442 /nfs/dbraw/zinc/56/94/42/505569442.db2.gz CKDXZLKSYRBOLZ-UHFFFAOYSA-N 1 2 369.490 3.420 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)c2C1 ZINC000567869570 505569443 /nfs/dbraw/zinc/56/94/43/505569443.db2.gz CKDXZLKSYRBOLZ-UHFFFAOYSA-N 1 2 369.490 3.420 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000599249448 506386891 /nfs/dbraw/zinc/38/68/91/506386891.db2.gz BVDBTRLCQFTOIV-KRWDZBQOSA-N 1 2 352.390 3.186 20 30 FGEDLO C[C@H](c1cccc(NC(=O)NCC2(C#N)CCCC2)c1)[NH+]1CCOCC1 ZINC000593156579 506428450 /nfs/dbraw/zinc/42/84/50/506428450.db2.gz DGJMEFGVDHOJRW-MRXNPFEDSA-N 1 2 356.470 3.285 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158703 506465812 /nfs/dbraw/zinc/46/58/12/506465812.db2.gz OUASDDJHIGAAOZ-KXBFYZLASA-N 1 2 363.889 3.191 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158703 506465818 /nfs/dbraw/zinc/46/58/18/506465818.db2.gz OUASDDJHIGAAOZ-KXBFYZLASA-N 1 2 363.889 3.191 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589276230 506505821 /nfs/dbraw/zinc/50/58/21/506505821.db2.gz KHKJRNXIXZNANE-QWRGUYRKSA-N 1 2 353.438 3.413 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589276230 506505831 /nfs/dbraw/zinc/50/58/31/506505831.db2.gz KHKJRNXIXZNANE-QWRGUYRKSA-N 1 2 353.438 3.413 20 30 FGEDLO N#Cc1cccc2c1CN(C(=O)NCc1ccc(N3CCCCC3)[nH+]c1)C2 ZINC000593301997 506524683 /nfs/dbraw/zinc/52/46/83/506524683.db2.gz BAGWWPIPKQWZAS-UHFFFAOYSA-N 1 2 361.449 3.169 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000603501792 506532055 /nfs/dbraw/zinc/53/20/55/506532055.db2.gz IHEFAGHOLRPSJL-UHFFFAOYSA-N 1 2 361.445 3.081 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678311 506573929 /nfs/dbraw/zinc/57/39/29/506573929.db2.gz SPLYBDPAQYFBIE-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678311 506573933 /nfs/dbraw/zinc/57/39/33/506573933.db2.gz SPLYBDPAQYFBIE-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000599679981 506576643 /nfs/dbraw/zinc/57/66/43/506576643.db2.gz OPNSGPWPPRVCCX-QGZVFWFLSA-N 1 2 372.371 3.432 20 30 FGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000599679981 506576646 /nfs/dbraw/zinc/57/66/46/506576646.db2.gz OPNSGPWPPRVCCX-QGZVFWFLSA-N 1 2 372.371 3.432 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000603824994 506625964 /nfs/dbraw/zinc/62/59/64/506625964.db2.gz ZIJVDOJLWPOUIQ-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000603824994 506625969 /nfs/dbraw/zinc/62/59/69/506625969.db2.gz ZIJVDOJLWPOUIQ-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000608884949 506736163 /nfs/dbraw/zinc/73/61/63/506736163.db2.gz RKYKIOJWDUCQLZ-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597131568 506793195 /nfs/dbraw/zinc/79/31/95/506793195.db2.gz AHAIRAYXDBDABT-ZDUSSCGKSA-N 1 2 373.378 3.495 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc(OC)c1O ZINC000597184368 506822652 /nfs/dbraw/zinc/82/26/52/506822652.db2.gz SYAXAWLATJYOGX-UHFFFAOYSA-N 1 2 369.490 3.385 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000609240256 506823266 /nfs/dbraw/zinc/82/32/66/506823266.db2.gz XSRFRTDLSMOPBV-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO Cc1cc(N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(C#N)c[nH+]1 ZINC000583560889 506848822 /nfs/dbraw/zinc/84/88/22/506848822.db2.gz YQPPFHOPAYNNJV-MRXNPFEDSA-N 1 2 363.465 3.113 20 30 FGEDLO N#CCCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000609521962 506908030 /nfs/dbraw/zinc/90/80/30/506908030.db2.gz QZFJHGCDBAHBNU-UHFFFAOYSA-N 1 2 367.424 3.218 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ncco2)c(C#N)c1C ZINC000594057252 506910244 /nfs/dbraw/zinc/91/02/44/506910244.db2.gz ZSIBKKLNWWJXBL-KRWDZBQOSA-N 1 2 364.405 3.268 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609554084 506920818 /nfs/dbraw/zinc/92/08/18/506920818.db2.gz RRTNAXLFWVXMMO-MRXNPFEDSA-N 1 2 353.426 3.411 20 30 FGEDLO Cc1c2cc(Br)ccc2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583847610 507005675 /nfs/dbraw/zinc/00/56/75/507005675.db2.gz SBQYOVZURXUOIW-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000594247536 507041401 /nfs/dbraw/zinc/04/14/01/507041401.db2.gz HLDHMVQQXYJLJY-KRWDZBQOSA-N 1 2 362.477 3.439 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)c1C ZINC000591041327 507089273 /nfs/dbraw/zinc/08/92/73/507089273.db2.gz HAPATFNYRHJUBI-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)c1C ZINC000591041327 507089283 /nfs/dbraw/zinc/08/92/83/507089283.db2.gz HAPATFNYRHJUBI-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000605149666 507091735 /nfs/dbraw/zinc/09/17/35/507091735.db2.gz ODVZOZPECILQQL-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304149 507183939 /nfs/dbraw/zinc/18/39/39/507183939.db2.gz MPUIYWPDDLPUQM-UZLBHIALSA-N 1 2 374.444 3.159 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000594779280 507278406 /nfs/dbraw/zinc/27/84/06/507278406.db2.gz MLOHUCOAXHBPKW-IINYFYTJSA-N 1 2 372.475 3.262 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000591833926 507385126 /nfs/dbraw/zinc/38/51/26/507385126.db2.gz XSRSIJSHFSOUCJ-UHFFFAOYSA-N 1 2 359.433 3.233 20 30 FGEDLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)Nc1ccccc1 ZINC000610844274 507409701 /nfs/dbraw/zinc/40/97/01/507409701.db2.gz DJMJNMQXKFTHNZ-UHFFFAOYSA-N 1 2 361.405 3.115 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595297662 507453424 /nfs/dbraw/zinc/45/34/24/507453424.db2.gz IPSFYAFGVTZKCU-UHFFFAOYSA-N 1 2 359.433 3.294 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000610967850 507458053 /nfs/dbraw/zinc/45/80/53/507458053.db2.gz RTVFADFYXVSYLO-UHFFFAOYSA-N 1 2 352.438 3.145 20 30 FGEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000595448123 507502513 /nfs/dbraw/zinc/50/25/13/507502513.db2.gz SCLAVCGBCLHKDI-UHFFFAOYSA-N 1 2 355.486 3.345 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000592151436 507511197 /nfs/dbraw/zinc/51/11/97/507511197.db2.gz OWKNDYYNZYRUQO-LJQANCHMSA-N 1 2 357.841 3.164 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000592151436 507511203 /nfs/dbraw/zinc/51/12/03/507511203.db2.gz OWKNDYYNZYRUQO-LJQANCHMSA-N 1 2 357.841 3.164 20 30 FGEDLO N#Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cnc1C(F)(F)F ZINC000584853048 507540982 /nfs/dbraw/zinc/54/09/82/507540982.db2.gz UUZKONLXHGZNSF-UHFFFAOYSA-N 1 2 357.295 3.410 20 30 FGEDLO CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C(C)C)cc1 ZINC000611175183 507549088 /nfs/dbraw/zinc/54/90/88/507549088.db2.gz VBUQPGDKTGIKEO-QFIPXVFZSA-N 1 2 370.541 3.155 20 30 FGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000611194812 507557118 /nfs/dbraw/zinc/55/71/18/507557118.db2.gz QJXCXGXPGVCYRX-OAHLLOKOSA-N 1 2 355.219 3.078 20 30 FGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000611194812 507557126 /nfs/dbraw/zinc/55/71/26/507557126.db2.gz QJXCXGXPGVCYRX-OAHLLOKOSA-N 1 2 355.219 3.078 20 30 FGEDLO CC(C)C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC000602092886 507587709 /nfs/dbraw/zinc/58/77/09/507587709.db2.gz KHSSEVXVQBNKLG-HXUWFJFHSA-N 1 2 366.465 3.412 20 30 FGEDLO N#C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000595625270 507600607 /nfs/dbraw/zinc/60/06/07/507600607.db2.gz CDKYQVXHCKTERF-NJYVYQBISA-N 1 2 367.880 3.490 20 30 FGEDLO N#C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000595625270 507600611 /nfs/dbraw/zinc/60/06/11/507600611.db2.gz CDKYQVXHCKTERF-NJYVYQBISA-N 1 2 367.880 3.490 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C3)n2c1 ZINC000611276515 507600716 /nfs/dbraw/zinc/60/07/16/507600716.db2.gz FBKFXUGRGZAOOB-RYUDHWBXSA-N 1 2 362.277 3.379 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000585753485 507615730 /nfs/dbraw/zinc/61/57/30/507615730.db2.gz NATHAEWRDLDQNX-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO N#CCCN1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000602208544 507627876 /nfs/dbraw/zinc/62/78/76/507627876.db2.gz PUTJWHNOKAQZPM-UHFFFAOYSA-N 1 2 370.840 3.199 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000592383530 507630007 /nfs/dbraw/zinc/63/00/07/507630007.db2.gz BBJTVLAJMSNRGC-UHFFFAOYSA-N 1 2 362.842 3.008 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712399 507643707 /nfs/dbraw/zinc/64/37/07/507643707.db2.gz GOFRFZGCSGSJDD-HXUWFJFHSA-N 1 2 368.506 3.223 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712399 507643709 /nfs/dbraw/zinc/64/37/09/507643709.db2.gz GOFRFZGCSGSJDD-HXUWFJFHSA-N 1 2 368.506 3.223 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000586749505 507656573 /nfs/dbraw/zinc/65/65/73/507656573.db2.gz KXEAABHZSWUMQN-UHFFFAOYSA-N 1 2 363.421 3.131 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000595754540 507668534 /nfs/dbraw/zinc/66/85/34/507668534.db2.gz XLWRWOMRVNUNAH-LJQANCHMSA-N 1 2 367.424 3.159 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000595754540 507668537 /nfs/dbraw/zinc/66/85/37/507668537.db2.gz XLWRWOMRVNUNAH-LJQANCHMSA-N 1 2 367.424 3.159 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000595760020 507671973 /nfs/dbraw/zinc/67/19/73/507671973.db2.gz QTDIMYVXORYZPW-CYBMUJFWSA-N 1 2 353.422 3.162 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000595760020 507671979 /nfs/dbraw/zinc/67/19/79/507671979.db2.gz QTDIMYVXORYZPW-CYBMUJFWSA-N 1 2 353.422 3.162 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779431 507680975 /nfs/dbraw/zinc/68/09/75/507680975.db2.gz AFXCJEYXTZIHHE-XHSDSOJGSA-N 1 2 361.511 3.376 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779431 507680982 /nfs/dbraw/zinc/68/09/82/507680982.db2.gz AFXCJEYXTZIHHE-XHSDSOJGSA-N 1 2 361.511 3.376 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000595792609 507689759 /nfs/dbraw/zinc/68/97/59/507689759.db2.gz ZLPPOQIWMRYMIO-FGZHOGPDSA-N 1 2 374.488 3.332 20 30 FGEDLO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000595848154 507711974 /nfs/dbraw/zinc/71/19/74/507711974.db2.gz APJBEHDLKDSYEO-AWEZNQCLSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000595848154 507711984 /nfs/dbraw/zinc/71/19/84/507711984.db2.gz APJBEHDLKDSYEO-AWEZNQCLSA-N 1 2 364.287 3.057 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)cs1 ZINC000587993988 507727118 /nfs/dbraw/zinc/72/71/18/507727118.db2.gz DYLUTQXIEYVEQR-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)cs1 ZINC000587993988 507727120 /nfs/dbraw/zinc/72/71/20/507727120.db2.gz DYLUTQXIEYVEQR-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CC[N@H+](CCOc1ccccc1OC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595883877 507727138 /nfs/dbraw/zinc/72/71/38/507727138.db2.gz CFBILQHOZGJDBA-UHFFFAOYSA-N 1 2 355.394 3.376 20 30 FGEDLO CC[N@@H+](CCOc1ccccc1OC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595883877 507727141 /nfs/dbraw/zinc/72/71/41/507727141.db2.gz CFBILQHOZGJDBA-UHFFFAOYSA-N 1 2 355.394 3.376 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000602498685 507728538 /nfs/dbraw/zinc/72/85/38/507728538.db2.gz DWHGCNNWGGPQCZ-MAUKXSAKSA-N 1 2 356.445 3.337 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611552057 507733977 /nfs/dbraw/zinc/73/39/77/507733977.db2.gz NVLSBWDDZMGPAJ-LJQANCHMSA-N 1 2 354.385 3.116 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000611553355 507736168 /nfs/dbraw/zinc/73/61/68/507736168.db2.gz XIEWVAAJVYPBCA-HXUWFJFHSA-N 1 2 354.429 3.002 20 30 FGEDLO Clc1nc(N2CCCC2)sc1C=[NH+]Nc1cccc(-c2nn[nH]n2)c1 ZINC000737582848 599368016 /nfs/dbraw/zinc/36/80/16/599368016.db2.gz GLEARHRBWFFBGB-UHFFFAOYSA-N 1 2 374.861 3.023 20 30 FGEDLO Clc1nc(N2CCCC2)sc1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737585005 599368047 /nfs/dbraw/zinc/36/80/47/599368047.db2.gz VZLNVHHBWHGWOY-UHFFFAOYSA-N 1 2 374.861 3.023 20 30 FGEDLO Clc1cc(NN=Cc2cc(-n3cc[nH+]c3)cs2)ccc1-c1nn[nH]n1 ZINC000826351212 609474369 /nfs/dbraw/zinc/47/43/69/609474369.db2.gz CPWNGMPAOBTAFI-UHFFFAOYSA-N 1 2 370.829 3.213 20 30 FGEDLO NC(=[NH+]OCc1nnc(-c2ccccc2Br)o1)c1ccccc1 ZINC000028774994 695705968 /nfs/dbraw/zinc/70/59/68/695705968.db2.gz NTTMWZVHPZZMMP-UHFFFAOYSA-N 1 2 373.210 3.336 20 30 FGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3csc(C)n3)c2)n1 ZINC000101540901 700467914 /nfs/dbraw/zinc/46/79/14/700467914.db2.gz MGDUPZCLVFWSGP-UHFFFAOYSA-N 1 2 355.467 3.150 20 30 FGEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000162458413 705296693 /nfs/dbraw/zinc/29/66/93/705296693.db2.gz XGSVFWZXLDPLNJ-CYBMUJFWSA-N 1 2 350.513 3.254 20 30 FGEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000162458413 705296696 /nfs/dbraw/zinc/29/66/96/705296696.db2.gz XGSVFWZXLDPLNJ-CYBMUJFWSA-N 1 2 350.513 3.254 20 30 FGEDLO CCCCCCCS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000195110129 713545709 /nfs/dbraw/zinc/54/57/09/713545709.db2.gz HIPXYIHCYZXTAM-UHFFFAOYSA-N 1 2 353.532 3.462 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000365981721 713861059 /nfs/dbraw/zinc/86/10/59/713861059.db2.gz VKSQHLQVKKOGFN-WMLDXEAASA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000365981721 713861062 /nfs/dbraw/zinc/86/10/62/713861062.db2.gz VKSQHLQVKKOGFN-WMLDXEAASA-N 1 2 353.388 3.295 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000619535223 714849564 /nfs/dbraw/zinc/84/95/64/714849564.db2.gz SWQQLOOXYZPLKF-UHFFFAOYSA-N 1 2 353.260 3.258 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1OC ZINC000628288610 716135549 /nfs/dbraw/zinc/13/55/49/716135549.db2.gz OWYIYKDVAKHCHH-ZDUSSCGKSA-N 1 2 361.816 3.363 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1OC ZINC000628288610 716135555 /nfs/dbraw/zinc/13/55/55/716135555.db2.gz OWYIYKDVAKHCHH-ZDUSSCGKSA-N 1 2 361.816 3.363 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662053975 720365819 /nfs/dbraw/zinc/36/58/19/720365819.db2.gz BZMSIRBVWMIOKA-DOMZBBRYSA-N 1 2 357.281 3.206 20 30 FGEDLO C=CCOCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000664379688 720633279 /nfs/dbraw/zinc/63/32/79/720633279.db2.gz MDJHARMCMOEBSX-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CCOCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000664379688 720633286 /nfs/dbraw/zinc/63/32/86/720633286.db2.gz MDJHARMCMOEBSX-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO CCOc1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)nc1 ZINC000782950038 724711645 /nfs/dbraw/zinc/71/16/45/724711645.db2.gz QSPFJVMXRPXUOO-UHFFFAOYSA-N 1 2 350.216 3.080 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CCOC)C2)cc1OC ZINC000668474062 721295884 /nfs/dbraw/zinc/29/58/84/721295884.db2.gz MMBJMTYZOVVCGW-UHFFFAOYSA-N 1 2 370.287 3.491 20 30 FGEDLO CC(C)(C)C[N@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000732201531 722482208 /nfs/dbraw/zinc/48/22/08/722482208.db2.gz FIHLMROOADZTPL-CQSZACIVSA-N 1 2 359.495 3.203 20 30 FGEDLO CC(C)(C)C[N@@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000732201531 722482209 /nfs/dbraw/zinc/48/22/09/722482209.db2.gz FIHLMROOADZTPL-CQSZACIVSA-N 1 2 359.495 3.203 20 30 FGEDLO CCCC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735309045 722514872 /nfs/dbraw/zinc/51/48/72/722514872.db2.gz DGRMJUQRVNUUPA-MRXNPFEDSA-N 1 2 370.902 3.032 20 30 FGEDLO CCCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735309045 722514873 /nfs/dbraw/zinc/51/48/73/722514873.db2.gz DGRMJUQRVNUUPA-MRXNPFEDSA-N 1 2 370.902 3.032 20 30 FGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)NC(=O)CO2 ZINC000737443213 722526540 /nfs/dbraw/zinc/52/65/40/722526540.db2.gz IOTCCTVBXKGZHR-ONEGZZNKSA-N 1 2 353.765 3.215 20 30 FGEDLO COc1ccc([C@@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)cc1 ZINC000759776480 723020536 /nfs/dbraw/zinc/02/05/36/723020536.db2.gz NSDUQNVCUZDSPR-LJQANCHMSA-N 1 2 357.841 3.057 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761043999 723115800 /nfs/dbraw/zinc/11/58/00/723115800.db2.gz GLYNEANFTGNMCQ-OLZOCXBDSA-N 1 2 357.351 3.345 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761043999 723115802 /nfs/dbraw/zinc/11/58/02/723115802.db2.gz GLYNEANFTGNMCQ-OLZOCXBDSA-N 1 2 357.351 3.345 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCOCC2)O1 ZINC000790365186 723131811 /nfs/dbraw/zinc/13/18/11/723131811.db2.gz AZOCCYDFFMMJIG-CQSZACIVSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCOCC2)O1 ZINC000790365186 723131812 /nfs/dbraw/zinc/13/18/12/723131812.db2.gz AZOCCYDFFMMJIG-CQSZACIVSA-N 1 2 350.846 3.012 20 30 FGEDLO C#CCCCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000791418029 723241450 /nfs/dbraw/zinc/24/14/50/723241450.db2.gz RNEHAHSIALOYGS-QGZVFWFLSA-N 1 2 356.919 3.056 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000763956324 723381606 /nfs/dbraw/zinc/38/16/06/723381606.db2.gz ZMLFBDNMKHINNZ-UHFFFAOYSA-N 1 2 351.475 3.410 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000763956324 723381611 /nfs/dbraw/zinc/38/16/11/723381611.db2.gz ZMLFBDNMKHINNZ-UHFFFAOYSA-N 1 2 351.475 3.410 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000794626786 723536557 /nfs/dbraw/zinc/53/65/57/723536557.db2.gz WERIFNFAQQSJIP-INIZCTEOSA-N 1 2 359.474 3.211 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000794626786 723536560 /nfs/dbraw/zinc/53/65/60/723536560.db2.gz WERIFNFAQQSJIP-INIZCTEOSA-N 1 2 359.474 3.211 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4nsnc43)CC2)c(F)c1 ZINC000766041540 723552395 /nfs/dbraw/zinc/55/23/95/723552395.db2.gz CSVPQFHQXWMVIX-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO NC(=[NH+]OCCOc1ccccc1Br)c1ccc(F)cc1 ZINC000768303102 723653559 /nfs/dbraw/zinc/65/35/59/723653559.db2.gz UIBAVSZTDFVSTM-UHFFFAOYSA-N 1 2 353.191 3.304 20 30 FGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000769962253 723702033 /nfs/dbraw/zinc/70/20/33/723702033.db2.gz DJNYQVICKSNOIT-LLVKDONJSA-N 1 2 366.202 3.400 20 30 FGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000769962253 723702035 /nfs/dbraw/zinc/70/20/35/723702035.db2.gz DJNYQVICKSNOIT-LLVKDONJSA-N 1 2 366.202 3.400 20 30 FGEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777962108 724275957 /nfs/dbraw/zinc/27/59/57/724275957.db2.gz BWRSKBWSDNCGCE-INIZCTEOSA-N 1 2 356.253 3.226 20 30 FGEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777962108 724275961 /nfs/dbraw/zinc/27/59/61/724275961.db2.gz BWRSKBWSDNCGCE-INIZCTEOSA-N 1 2 356.253 3.226 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000785895028 724946061 /nfs/dbraw/zinc/94/60/61/724946061.db2.gz GSKVWJOJTKOVCM-UHFFFAOYSA-N 1 2 358.829 3.076 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746944 725090609 /nfs/dbraw/zinc/09/06/09/725090609.db2.gz NXZMEUNYHGTVGT-WOJBJXKFSA-N 1 2 356.853 3.189 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746944 725090612 /nfs/dbraw/zinc/09/06/12/725090612.db2.gz NXZMEUNYHGTVGT-WOJBJXKFSA-N 1 2 356.853 3.189 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746941 725090816 /nfs/dbraw/zinc/09/08/16/725090816.db2.gz NXZMEUNYHGTVGT-PMACEKPBSA-N 1 2 356.853 3.189 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746941 725090819 /nfs/dbraw/zinc/09/08/19/725090819.db2.gz NXZMEUNYHGTVGT-PMACEKPBSA-N 1 2 356.853 3.189 20 30 FGEDLO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809698768 725260350 /nfs/dbraw/zinc/26/03/50/725260350.db2.gz IEDKFIXIOGHRDH-SFHVURJKSA-N 1 2 361.800 3.495 20 30 FGEDLO C#C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000811858254 725383282 /nfs/dbraw/zinc/38/32/82/725383282.db2.gz UFAIWVYDLAXHCX-KRWDZBQOSA-N 1 2 356.857 3.089 20 30 FGEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000814302717 726954931 /nfs/dbraw/zinc/95/49/31/726954931.db2.gz ZRIKJEBOZUYHKI-CYBMUJFWSA-N 1 2 360.255 3.492 20 30 FGEDLO COCc1nc(Cl)cc(N=NCc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000814977965 727016257 /nfs/dbraw/zinc/01/62/57/727016257.db2.gz JJKPTJCRUVCGJS-UHFFFAOYSA-N 1 2 356.817 3.217 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000820737513 729023304 /nfs/dbraw/zinc/02/33/04/729023304.db2.gz FLAIETMFSHQUKC-BLLLJJGKSA-N 1 2 360.820 3.466 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000820744904 729024768 /nfs/dbraw/zinc/02/47/68/729024768.db2.gz MTTMUBKYAVCPFX-INIZCTEOSA-N 1 2 360.820 3.466 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1F ZINC000820744904 729024771 /nfs/dbraw/zinc/02/47/71/729024771.db2.gz MTTMUBKYAVCPFX-INIZCTEOSA-N 1 2 360.820 3.466 20 30 FGEDLO Nc1ccc(/C=C/C(=O)c2ccc(I)cc2)c[nH+]1 ZINC000821032415 729052120 /nfs/dbraw/zinc/05/21/20/729052120.db2.gz UDJHYSZJYVINQG-LREOWRDNSA-N 1 2 350.159 3.165 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821798269 729117753 /nfs/dbraw/zinc/11/77/53/729117753.db2.gz YHVKARXTOMOGAH-RISCZKNCSA-N 1 2 352.316 3.306 20 30 FGEDLO C#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000836222748 729948358 /nfs/dbraw/zinc/94/83/58/729948358.db2.gz GXOYSGRMIYGZMB-UHFFFAOYSA-N 1 2 354.479 3.432 20 30 FGEDLO CC(C)n1cc(C2=CCC[N@H+](Cc3cc(C#N)cnc3Cl)CC2)nn1 ZINC000877565291 736685120 /nfs/dbraw/zinc/68/51/20/736685120.db2.gz WXYUZEPDBLIWIB-UHFFFAOYSA-N 1 2 356.861 3.458 20 30 FGEDLO CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(C#N)cnc3Cl)CC2)nn1 ZINC000877565291 736685123 /nfs/dbraw/zinc/68/51/23/736685123.db2.gz WXYUZEPDBLIWIB-UHFFFAOYSA-N 1 2 356.861 3.458 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1sccc1CC#N ZINC000875349390 735979142 /nfs/dbraw/zinc/97/91/42/735979142.db2.gz YLYVOVOCKRPEPP-UHFFFAOYSA-N 1 2 355.463 3.207 20 30 FGEDLO Cc1cccc(CC2(O)CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)c1 ZINC000877490821 736670896 /nfs/dbraw/zinc/67/08/96/736670896.db2.gz JFQOHLJQQABWQH-UHFFFAOYSA-N 1 2 355.869 3.485 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000886774797 739296918 /nfs/dbraw/zinc/29/69/18/739296918.db2.gz VYEAKZOPJMLDFX-UHFFFAOYSA-N 1 2 363.508 3.213 20 30 FGEDLO N#Cc1cc(Br)cnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895347605 742400923 /nfs/dbraw/zinc/40/09/23/742400923.db2.gz KLKYHOJORSOQDY-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000941086986 762175124 /nfs/dbraw/zinc/17/51/24/762175124.db2.gz AZACAQOMTUAUOD-RRFJBIMHSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000941086986 762175128 /nfs/dbraw/zinc/17/51/28/762175128.db2.gz AZACAQOMTUAUOD-RRFJBIMHSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1C/C=C/Cl ZINC000948957163 762357990 /nfs/dbraw/zinc/35/79/90/762357990.db2.gz BDLKTTDLFBIJDA-SFYNIOQCSA-N 1 2 360.885 3.046 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1C/C=C/Cl ZINC000948957163 762357999 /nfs/dbraw/zinc/35/79/99/762357999.db2.gz BDLKTTDLFBIJDA-SFYNIOQCSA-N 1 2 360.885 3.046 20 30 FGEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922713589 758989791 /nfs/dbraw/zinc/98/97/91/758989791.db2.gz HFKOWPKASDFLTI-UHFFFAOYSA-N 1 2 373.176 3.363 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073958 761045608 /nfs/dbraw/zinc/04/56/08/761045608.db2.gz ZPOIWYKBTPZTRX-HZPDHXFCSA-N 1 2 356.413 3.407 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073958 761045618 /nfs/dbraw/zinc/04/56/18/761045618.db2.gz ZPOIWYKBTPZTRX-HZPDHXFCSA-N 1 2 356.413 3.407 20 30 FGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932230390 761099076 /nfs/dbraw/zinc/09/90/76/761099076.db2.gz NCDORLVEFTYJFD-CYBMUJFWSA-N 1 2 352.360 3.387 20 30 FGEDLO Cc1c[nH]nc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939446 761279020 /nfs/dbraw/zinc/27/90/20/761279020.db2.gz GNZSJKYUQWTRPF-HTQZYQBOSA-N 1 2 363.252 3.321 20 30 FGEDLO COc1ccc(Br)cc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651456 761446740 /nfs/dbraw/zinc/44/67/40/761446740.db2.gz JJXMUCACWIMZLN-UHFFFAOYSA-N 1 2 366.255 3.295 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788959 762929737 /nfs/dbraw/zinc/92/97/37/762929737.db2.gz SWGVMSKCEAVBNW-SOUVJXGZSA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788959 762929743 /nfs/dbraw/zinc/92/97/43/762929743.db2.gz SWGVMSKCEAVBNW-SOUVJXGZSA-N 1 2 369.328 3.293 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)s1 ZINC000981202953 763464579 /nfs/dbraw/zinc/46/45/79/763464579.db2.gz NSIYAUDEXLWETM-JTDSTZFVSA-N 1 2 355.507 3.256 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)s1 ZINC000981202953 763464583 /nfs/dbraw/zinc/46/45/83/763464583.db2.gz NSIYAUDEXLWETM-JTDSTZFVSA-N 1 2 355.507 3.256 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001028142938 766112818 /nfs/dbraw/zinc/11/28/18/766112818.db2.gz UOOJONGGPHYMJB-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001028142938 766112822 /nfs/dbraw/zinc/11/28/22/766112822.db2.gz UOOJONGGPHYMJB-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001028327090 766120983 /nfs/dbraw/zinc/12/09/83/766120983.db2.gz SSNDBXREDXLUJP-AEGPPILISA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001028327090 766120989 /nfs/dbraw/zinc/12/09/89/766120989.db2.gz SSNDBXREDXLUJP-AEGPPILISA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033293537 766213742 /nfs/dbraw/zinc/21/37/42/766213742.db2.gz XWWFXMOATZZAQA-YHUYYLMFSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033293537 766213744 /nfs/dbraw/zinc/21/37/44/766213744.db2.gz XWWFXMOATZZAQA-YHUYYLMFSA-N 1 2 355.320 3.254 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000573614484 505578765 /nfs/dbraw/zinc/57/87/65/505578765.db2.gz JPSWVYWLUCPLDC-OAHLLOKOSA-N 1 2 368.915 3.028 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000567945609 505581152 /nfs/dbraw/zinc/58/11/52/505581152.db2.gz ZPSCJGBWUXXXRC-LEWJYISDSA-N 1 2 351.494 3.419 20 30 FGEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000568035782 505600535 /nfs/dbraw/zinc/60/05/35/505600535.db2.gz KQEVZTUCYSMVRO-UHFFFAOYSA-N 1 2 360.417 3.033 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C4CC4)n3)CC2)cc1 ZINC000579679270 505601175 /nfs/dbraw/zinc/60/11/75/505601175.db2.gz AUMSKCNBFAEYIR-UHFFFAOYSA-N 1 2 361.449 3.180 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000579692240 505603657 /nfs/dbraw/zinc/60/36/57/505603657.db2.gz XFVYWWULDGJXAO-CDHQVMDDSA-N 1 2 363.465 3.425 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2c2ccc(F)cc2)nc1 ZINC000580121134 505681380 /nfs/dbraw/zinc/68/13/80/505681380.db2.gz QTZMMKYEWFBTOF-SFHVURJKSA-N 1 2 373.453 3.093 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)nc1 ZINC000580121134 505681384 /nfs/dbraw/zinc/68/13/84/505681384.db2.gz QTZMMKYEWFBTOF-SFHVURJKSA-N 1 2 373.453 3.093 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000028762986 493800333 /nfs/dbraw/zinc/80/03/33/493800333.db2.gz NVNXDLOJLZQRKD-LBPRGKRZSA-N 1 2 373.507 3.120 20 30 FGEDLO COc1cccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000029096958 493816030 /nfs/dbraw/zinc/81/60/30/493816030.db2.gz UDYAFSSKARZRBU-NRFANRHFSA-N 1 2 374.444 3.139 20 30 FGEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000076345898 493871308 /nfs/dbraw/zinc/87/13/08/493871308.db2.gz JALSOAVDSLHWPR-KRWDZBQOSA-N 1 2 358.486 3.141 20 30 FGEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000076345898 493871311 /nfs/dbraw/zinc/87/13/11/493871311.db2.gz JALSOAVDSLHWPR-KRWDZBQOSA-N 1 2 358.486 3.141 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)c1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000049617928 493877005 /nfs/dbraw/zinc/87/70/05/493877005.db2.gz ZLSDKIJKJVHQCJ-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214664 493880243 /nfs/dbraw/zinc/88/02/43/493880243.db2.gz JQPNXLBHTHRFFN-GFCCVEGCSA-N 1 2 368.275 3.205 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214664 493880247 /nfs/dbraw/zinc/88/02/47/493880247.db2.gz JQPNXLBHTHRFFN-GFCCVEGCSA-N 1 2 368.275 3.205 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@H](C)C#N ZINC000049982521 493889956 /nfs/dbraw/zinc/88/99/56/493889956.db2.gz MBJFSRRBPLXEGA-OLZOCXBDSA-N 1 2 352.276 3.108 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@H](C)C#N ZINC000049982521 493889958 /nfs/dbraw/zinc/88/99/58/493889958.db2.gz MBJFSRRBPLXEGA-OLZOCXBDSA-N 1 2 352.276 3.108 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)c1C ZINC000058956769 493895628 /nfs/dbraw/zinc/89/56/28/493895628.db2.gz JFLZTHVJGVJNCO-OAHLLOKOSA-N 1 2 353.422 3.005 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000059423142 493906048 /nfs/dbraw/zinc/90/60/48/493906048.db2.gz OFLIZABZEPLMIH-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000059423142 493906050 /nfs/dbraw/zinc/90/60/50/493906050.db2.gz OFLIZABZEPLMIH-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000060479536 493938181 /nfs/dbraw/zinc/93/81/81/493938181.db2.gz XEZATGVRXMWUJH-UHFFFAOYSA-N 1 2 369.509 3.442 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2sccc2C#N)C[C@@H](C)O1 ZINC000052031489 494000233 /nfs/dbraw/zinc/00/02/33/494000233.db2.gz PUHBNUMSEFHBBK-ZIAGYGMSSA-N 1 2 355.463 3.481 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(F)c1 ZINC000083243609 494012950 /nfs/dbraw/zinc/01/29/50/494012950.db2.gz FFEUZXTVBAGWKY-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(F)c1 ZINC000083243609 494012956 /nfs/dbraw/zinc/01/29/56/494012956.db2.gz FFEUZXTVBAGWKY-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297880 494040796 /nfs/dbraw/zinc/04/07/96/494040796.db2.gz SKHRHCVZGKJQLY-UHFFFAOYSA-N 1 2 353.422 3.241 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297880 494040801 /nfs/dbraw/zinc/04/08/01/494040801.db2.gz SKHRHCVZGKJQLY-UHFFFAOYSA-N 1 2 353.422 3.241 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000063747284 494083172 /nfs/dbraw/zinc/08/31/72/494083172.db2.gz KNBHABFPTYHRFO-HNNXBMFYSA-N 1 2 362.433 3.453 20 30 FGEDLO CCc1cccc(NC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000063754589 494084068 /nfs/dbraw/zinc/08/40/68/494084068.db2.gz WXYBOIMUHLPHHI-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO CCc1cccc(NC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000063754589 494084072 /nfs/dbraw/zinc/08/40/72/494084072.db2.gz WXYBOIMUHLPHHI-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO COc1ccccc1NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000085905727 494140248 /nfs/dbraw/zinc/14/02/48/494140248.db2.gz LYULMIYHARMJIW-UHFFFAOYSA-N 1 2 370.478 3.143 20 30 FGEDLO COc1ccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000010960142 494166065 /nfs/dbraw/zinc/16/60/65/494166065.db2.gz QLQLLXGFUHOODQ-OAQYLSRUSA-N 1 2 374.444 3.139 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339352 494222377 /nfs/dbraw/zinc/22/23/77/494222377.db2.gz XLPVOYUNQFUONB-FUHWJXTLSA-N 1 2 371.308 3.308 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339352 494222379 /nfs/dbraw/zinc/22/23/79/494222379.db2.gz XLPVOYUNQFUONB-FUHWJXTLSA-N 1 2 371.308 3.308 20 30 FGEDLO COc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000072672700 494229734 /nfs/dbraw/zinc/22/97/34/494229734.db2.gz HXHHSCWCFJHHRQ-HXUWFJFHSA-N 1 2 366.465 3.064 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccoc2C)cc1 ZINC000055054344 494294471 /nfs/dbraw/zinc/29/44/71/494294471.db2.gz CRSDANZKRIBCND-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccoc2C)cc1 ZINC000055054344 494294475 /nfs/dbraw/zinc/29/44/75/494294475.db2.gz CRSDANZKRIBCND-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000015021460 494334425 /nfs/dbraw/zinc/33/44/25/494334425.db2.gz VKPYIBJCZKPYHL-UHFFFAOYSA-N 1 2 358.445 3.008 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1cccc(C#N)c1 ZINC000073615455 494399915 /nfs/dbraw/zinc/39/99/15/494399915.db2.gz KNTYFVJFJJYLIW-UHFFFAOYSA-N 1 2 363.465 3.014 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1cccc(C#N)c1 ZINC000073615455 494399917 /nfs/dbraw/zinc/39/99/17/494399917.db2.gz KNTYFVJFJJYLIW-UHFFFAOYSA-N 1 2 363.465 3.014 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847411 494422468 /nfs/dbraw/zinc/42/24/68/494422468.db2.gz WHTJNXZRKYIFOD-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847411 494422472 /nfs/dbraw/zinc/42/24/72/494422472.db2.gz WHTJNXZRKYIFOD-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000066855929 494427313 /nfs/dbraw/zinc/42/73/13/494427313.db2.gz WRCAENHNESRZDN-ZDUSSCGKSA-N 1 2 364.434 3.309 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021404890 494495309 /nfs/dbraw/zinc/49/53/09/494495309.db2.gz UYVUTOWIWXFYED-GOSISDBHSA-N 1 2 362.477 3.093 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021404890 494495313 /nfs/dbraw/zinc/49/53/13/494495313.db2.gz UYVUTOWIWXFYED-GOSISDBHSA-N 1 2 362.477 3.093 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000046287193 494512879 /nfs/dbraw/zinc/51/28/79/494512879.db2.gz BYOPQNCUGVZGTR-UHFFFAOYSA-N 1 2 351.454 3.141 20 30 FGEDLO CN(CCC#N)c1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000091064689 494522165 /nfs/dbraw/zinc/52/21/65/494522165.db2.gz RNTLYVCIUZSTEM-UHFFFAOYSA-N 1 2 365.481 3.005 20 30 FGEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000107742750 494595064 /nfs/dbraw/zinc/59/50/64/494595064.db2.gz UPOLSFFEHBIQSU-UHFFFAOYSA-N 1 2 364.449 3.029 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3CN2Cc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000092355610 494604901 /nfs/dbraw/zinc/60/49/01/494604901.db2.gz VRTFXIXUILYBBJ-LJQANCHMSA-N 1 2 370.416 3.197 20 30 FGEDLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1ccc(C#N)cc1 ZINC000115762029 494614339 /nfs/dbraw/zinc/61/43/39/494614339.db2.gz JLNKNWDFWBKYCN-SCLBCKFNSA-N 1 2 372.419 3.500 20 30 FGEDLO Cc1cc(C)c(C#N)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000025151234 494704421 /nfs/dbraw/zinc/70/44/21/494704421.db2.gz DTLBKWDERGWXTK-UHFFFAOYSA-N 1 2 363.465 3.085 20 30 FGEDLO COCc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)o1 ZINC000092704413 494716730 /nfs/dbraw/zinc/71/67/30/494716730.db2.gz ABMWTJAWEQCYJW-UHFFFAOYSA-N 1 2 362.433 3.168 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000091936619 494727091 /nfs/dbraw/zinc/72/70/91/494727091.db2.gz OCOVBQHTTLNPBW-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000091936619 494727098 /nfs/dbraw/zinc/72/70/98/494727098.db2.gz OCOVBQHTTLNPBW-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121381051 494730213 /nfs/dbraw/zinc/73/02/13/494730213.db2.gz ATPZEORTVMAXLO-CQSZACIVSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000121381051 494730219 /nfs/dbraw/zinc/73/02/19/494730219.db2.gz ATPZEORTVMAXLO-CQSZACIVSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532293 494786187 /nfs/dbraw/zinc/78/61/87/494786187.db2.gz QOKLQCLZHYLYST-SJLPKXTDSA-N 1 2 352.438 3.091 20 30 FGEDLO COc1ccccc1OCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643394 494808952 /nfs/dbraw/zinc/80/89/52/494808952.db2.gz UGSQNYKETNZNDI-UHFFFAOYSA-N 1 2 364.405 3.128 20 30 FGEDLO COc1ccccc1OCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643394 494808955 /nfs/dbraw/zinc/80/89/55/494808955.db2.gz UGSQNYKETNZNDI-UHFFFAOYSA-N 1 2 364.405 3.128 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1Cl ZINC000108970285 494814041 /nfs/dbraw/zinc/81/40/41/494814041.db2.gz HWNJINLNSRLFPF-QGZVFWFLSA-N 1 2 373.840 3.424 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1Cl ZINC000108970285 494814049 /nfs/dbraw/zinc/81/40/49/494814049.db2.gz HWNJINLNSRLFPF-QGZVFWFLSA-N 1 2 373.840 3.424 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000026323172 494816866 /nfs/dbraw/zinc/81/68/66/494816866.db2.gz MFDCSAJYGWBLFO-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000026323172 494816867 /nfs/dbraw/zinc/81/68/67/494816867.db2.gz MFDCSAJYGWBLFO-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000121726961 494846311 /nfs/dbraw/zinc/84/63/11/494846311.db2.gz KAWNBCLTZAQSKW-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000121726961 494846315 /nfs/dbraw/zinc/84/63/15/494846315.db2.gz KAWNBCLTZAQSKW-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000132446337 494875620 /nfs/dbraw/zinc/87/56/20/494875620.db2.gz VSGNNPSPMPKYRC-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000132446337 494875625 /nfs/dbraw/zinc/87/56/25/494875625.db2.gz VSGNNPSPMPKYRC-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000027775822 494885286 /nfs/dbraw/zinc/88/52/86/494885286.db2.gz UHMJRCPVMNYERE-UHFFFAOYSA-N 1 2 365.477 3.080 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC000027775822 494885289 /nfs/dbraw/zinc/88/52/89/494885289.db2.gz UHMJRCPVMNYERE-UHFFFAOYSA-N 1 2 365.477 3.080 20 30 FGEDLO CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000117710325 494948198 /nfs/dbraw/zinc/94/81/98/494948198.db2.gz NDSLBQYBCQCUMQ-INIZCTEOSA-N 1 2 351.406 3.174 20 30 FGEDLO Cc1cccc([C@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000097286640 495031000 /nfs/dbraw/zinc/03/10/00/495031000.db2.gz LUNBVJHGXZEGRZ-FQEVSTJZSA-N 1 2 350.466 3.364 20 30 FGEDLO CCOc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000122822068 495035815 /nfs/dbraw/zinc/03/58/15/495035815.db2.gz VNBVNSCJMMYNJI-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO CCOc1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000122822068 495035818 /nfs/dbraw/zinc/03/58/18/495035818.db2.gz VNBVNSCJMMYNJI-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(C#N)ccc1Br ZINC000574381860 505760736 /nfs/dbraw/zinc/76/07/36/505760736.db2.gz IVTCCVXMPJYJNU-INIZCTEOSA-N 1 2 361.239 3.153 20 30 FGEDLO Cc1cccc(COc2cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000571568963 505763228 /nfs/dbraw/zinc/76/32/28/505763228.db2.gz WUOOHYJCWFVUNS-JOCHJYFZSA-N 1 2 365.477 3.077 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128740971 495143385 /nfs/dbraw/zinc/14/33/85/495143385.db2.gz UJLOLYLJSGYDQK-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2cnc(C#N)cn2)c2ccc(Cl)cc2)CCO1 ZINC000123758812 495182250 /nfs/dbraw/zinc/18/22/50/495182250.db2.gz QDVCVAKPQFOEBL-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2cnc(C#N)cn2)c2ccc(Cl)cc2)CCO1 ZINC000123758812 495182252 /nfs/dbraw/zinc/18/22/52/495182252.db2.gz QDVCVAKPQFOEBL-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Nc3ccccc3F)CC2)c(C#N)c1C ZINC000129038191 495186967 /nfs/dbraw/zinc/18/69/67/495186967.db2.gz NXJGVPAKVHXKDC-UHFFFAOYSA-N 1 2 370.428 3.422 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2)c1ccccc1 ZINC000119586998 495196264 /nfs/dbraw/zinc/19/62/64/495196264.db2.gz NGQIXZMCWHXJJY-UHFFFAOYSA-N 1 2 355.482 3.358 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCOC2(C1)CCCCCC2)c1ccccc1 ZINC000119586998 495196266 /nfs/dbraw/zinc/19/62/66/495196266.db2.gz NGQIXZMCWHXJJY-UHFFFAOYSA-N 1 2 355.482 3.358 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)ccc1OC ZINC000119871288 495258544 /nfs/dbraw/zinc/25/85/44/495258544.db2.gz CNOGNKOMZLCDEJ-IBGZPJMESA-N 1 2 366.461 3.062 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)ccc1OC ZINC000119871288 495258548 /nfs/dbraw/zinc/25/85/48/495258548.db2.gz CNOGNKOMZLCDEJ-IBGZPJMESA-N 1 2 366.461 3.062 20 30 FGEDLO N#CCC[C@@H](NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000129759691 495292017 /nfs/dbraw/zinc/29/20/17/495292017.db2.gz PFBNUANEFWWJMR-RBUKOAKNSA-N 1 2 363.465 3.395 20 30 FGEDLO N#CCC[C@H](NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000129759453 495292218 /nfs/dbraw/zinc/29/22/18/495292218.db2.gz PFBNUANEFWWJMR-MOPGFXCFSA-N 1 2 363.465 3.395 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713839 495300471 /nfs/dbraw/zinc/30/04/71/495300471.db2.gz KFZDAYYJBITBKI-INIZCTEOSA-N 1 2 374.444 3.300 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120150910 495317264 /nfs/dbraw/zinc/31/72/64/495317264.db2.gz XQPABQRPRJUVHX-HNNXBMFYSA-N 1 2 358.873 3.446 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120150910 495317266 /nfs/dbraw/zinc/31/72/66/495317266.db2.gz XQPABQRPRJUVHX-HNNXBMFYSA-N 1 2 358.873 3.446 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C)o1 ZINC000125029547 495379636 /nfs/dbraw/zinc/37/96/36/495379636.db2.gz UHNFCGKJQACHGZ-UHFFFAOYSA-N 1 2 361.829 3.200 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C)o1 ZINC000125029547 495379639 /nfs/dbraw/zinc/37/96/39/495379639.db2.gz UHNFCGKJQACHGZ-UHFFFAOYSA-N 1 2 361.829 3.200 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1F ZINC000120587077 495411974 /nfs/dbraw/zinc/41/19/74/495411974.db2.gz UXDWBKBBYLDSTA-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3OC)CC2)cc1F ZINC000120587077 495411981 /nfs/dbraw/zinc/41/19/81/495411981.db2.gz UXDWBKBBYLDSTA-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000568816474 505783598 /nfs/dbraw/zinc/78/35/98/505783598.db2.gz JHLRGAQWYPJJNW-FUHWJXTLSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000568816474 505783602 /nfs/dbraw/zinc/78/36/02/505783602.db2.gz JHLRGAQWYPJJNW-FUHWJXTLSA-N 1 2 359.857 3.184 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000120951238 495491066 /nfs/dbraw/zinc/49/10/66/495491066.db2.gz PHBHOHSCPQHBGK-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000120951238 495491068 /nfs/dbraw/zinc/49/10/68/495491068.db2.gz PHBHOHSCPQHBGK-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120951238 495491071 /nfs/dbraw/zinc/49/10/71/495491071.db2.gz PHBHOHSCPQHBGK-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120951238 495491074 /nfs/dbraw/zinc/49/10/74/495491074.db2.gz PHBHOHSCPQHBGK-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414899 495501055 /nfs/dbraw/zinc/50/10/55/495501055.db2.gz BDSKYTVBVCFSMV-SUMWQHHRSA-N 1 2 373.403 3.023 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c1 ZINC000158565330 495539526 /nfs/dbraw/zinc/53/95/26/495539526.db2.gz QKZMAXLPHGSWET-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO COc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000176197218 495542611 /nfs/dbraw/zinc/54/26/11/495542611.db2.gz RPUIMFZBJMUMRB-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO COc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000176197218 495542614 /nfs/dbraw/zinc/54/26/14/495542614.db2.gz RPUIMFZBJMUMRB-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179360000 495558949 /nfs/dbraw/zinc/55/89/49/495558949.db2.gz FNWPLVZCCSKMPD-QUCCMNQESA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179360000 495558956 /nfs/dbraw/zinc/55/89/56/495558956.db2.gz FNWPLVZCCSKMPD-QUCCMNQESA-N 1 2 371.843 3.455 20 30 FGEDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000158669437 495563695 /nfs/dbraw/zinc/56/36/95/495563695.db2.gz CUBBJQPXFZKENW-UHFFFAOYSA-N 1 2 352.409 3.404 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000170760682 495593205 /nfs/dbraw/zinc/59/32/05/495593205.db2.gz DEJJNSLWQYAJPR-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000170760682 495593209 /nfs/dbraw/zinc/59/32/09/495593209.db2.gz DEJJNSLWQYAJPR-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000185886027 495766061 /nfs/dbraw/zinc/76/60/61/495766061.db2.gz GFBXCIVZTZMWOU-HNNXBMFYSA-N 1 2 359.495 3.155 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000185886027 495766063 /nfs/dbraw/zinc/76/60/63/495766063.db2.gz GFBXCIVZTZMWOU-HNNXBMFYSA-N 1 2 359.495 3.155 20 30 FGEDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1C#N ZINC000174259635 495885850 /nfs/dbraw/zinc/88/58/50/495885850.db2.gz OUCOXXSJPVSERB-LJQANCHMSA-N 1 2 350.397 3.319 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000155261048 495895702 /nfs/dbraw/zinc/89/57/02/495895702.db2.gz HGPVZILSGNLGCP-HSZRJFAPSA-N 1 2 371.488 3.314 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000155265518 495896407 /nfs/dbraw/zinc/89/64/07/495896407.db2.gz UJYWRHFQOYGBFJ-OAQYLSRUSA-N 1 2 361.493 3.064 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174332052 495914245 /nfs/dbraw/zinc/91/42/45/495914245.db2.gz VUMWSAQDJNTONP-ZIAGYGMSSA-N 1 2 358.417 3.115 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(O)c1 ZINC000568943696 505813358 /nfs/dbraw/zinc/81/33/58/505813358.db2.gz JZDDSDTUZNRMEU-GFCCVEGCSA-N 1 2 355.463 3.273 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(O)c1 ZINC000568943696 505813360 /nfs/dbraw/zinc/81/33/60/505813360.db2.gz JZDDSDTUZNRMEU-GFCCVEGCSA-N 1 2 355.463 3.273 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000577907472 505815951 /nfs/dbraw/zinc/81/59/51/505815951.db2.gz BTWZYKPBGUGPKI-OXJNMPFZSA-N 1 2 353.466 3.401 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)C1(C#N)CCCCC1 ZINC000177392926 496043735 /nfs/dbraw/zinc/04/37/35/496043735.db2.gz IWHZIARZOZIFKX-INIZCTEOSA-N 1 2 373.522 3.470 20 30 FGEDLO CN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)C1(C#N)CCCCC1 ZINC000177392926 496043740 /nfs/dbraw/zinc/04/37/40/496043740.db2.gz IWHZIARZOZIFKX-INIZCTEOSA-N 1 2 373.522 3.470 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000155964262 496119323 /nfs/dbraw/zinc/11/93/23/496119323.db2.gz RNKCILWNAGDCHF-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000186723725 496122870 /nfs/dbraw/zinc/12/28/70/496122870.db2.gz FTMULGUJISJWET-UHFFFAOYSA-N 1 2 354.475 3.007 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000186723725 496122872 /nfs/dbraw/zinc/12/28/72/496122872.db2.gz FTMULGUJISJWET-UHFFFAOYSA-N 1 2 354.475 3.007 20 30 FGEDLO Cc1cc(C(C)C)nc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000186880616 496193240 /nfs/dbraw/zinc/19/32/40/496193240.db2.gz QMJJLKPBHJLCMT-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000184017660 496204520 /nfs/dbraw/zinc/20/45/20/496204520.db2.gz AIHDBPZACIGPLG-QGZVFWFLSA-N 1 2 366.465 3.307 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000184017660 496204526 /nfs/dbraw/zinc/20/45/26/496204526.db2.gz AIHDBPZACIGPLG-QGZVFWFLSA-N 1 2 366.465 3.307 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000156526938 496269337 /nfs/dbraw/zinc/26/93/37/496269337.db2.gz YPRLXODIARDEAC-SFHVURJKSA-N 1 2 358.392 3.074 20 30 FGEDLO C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1[nH]cc[nH+]1 ZINC000574702927 505836438 /nfs/dbraw/zinc/83/64/38/505836438.db2.gz JGKMAJTYWCXTJH-CYBMUJFWSA-N 1 2 371.872 3.419 20 30 FGEDLO CCC[N@H+](Cc1ccc(C#N)o1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000162307389 496332207 /nfs/dbraw/zinc/33/22/07/496332207.db2.gz NWCXESIBRLOAAY-UHFFFAOYSA-N 1 2 356.813 3.453 20 30 FGEDLO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000162307389 496332214 /nfs/dbraw/zinc/33/22/14/496332214.db2.gz NWCXESIBRLOAAY-UHFFFAOYSA-N 1 2 356.813 3.453 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000162437874 496352791 /nfs/dbraw/zinc/35/27/91/496352791.db2.gz YCDGOVDAALBFPT-UHFFFAOYSA-N 1 2 369.222 3.207 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000172591485 496355976 /nfs/dbraw/zinc/35/59/76/496355976.db2.gz OJVBTXYZRSTTHR-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000172591485 496355981 /nfs/dbraw/zinc/35/59/81/496355981.db2.gz OJVBTXYZRSTTHR-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000175497646 496416345 /nfs/dbraw/zinc/41/63/45/496416345.db2.gz JWPJZKQVONAOPI-UHFFFAOYSA-N 1 2 360.889 3.378 20 30 FGEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000175497646 496416349 /nfs/dbraw/zinc/41/63/49/496416349.db2.gz JWPJZKQVONAOPI-UHFFFAOYSA-N 1 2 360.889 3.378 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccco1 ZINC000184552931 496435788 /nfs/dbraw/zinc/43/57/88/496435788.db2.gz RICHTODOHBHSRL-SFHVURJKSA-N 1 2 355.438 3.120 20 30 FGEDLO C=CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000187482990 496461077 /nfs/dbraw/zinc/46/10/77/496461077.db2.gz WQJZTTVEZLZBSY-JOCHJYFZSA-N 1 2 364.489 3.495 20 30 FGEDLO C=CC[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000187589267 496502163 /nfs/dbraw/zinc/50/21/63/496502163.db2.gz ZFRZLFSHEWJENS-OAQYLSRUSA-N 1 2 374.488 3.338 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000178859030 496596839 /nfs/dbraw/zinc/59/68/39/496596839.db2.gz CDOAWCQASGAKJJ-UHFFFAOYSA-N 1 2 366.461 3.087 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4O)CC3)o2)cc1 ZINC000158245239 496659667 /nfs/dbraw/zinc/65/96/67/496659667.db2.gz WKGIAXBIJKLAPO-UHFFFAOYSA-N 1 2 360.417 3.241 20 30 FGEDLO N#Cc1cc(NCc2cn3cc(Br)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000165907174 496673418 /nfs/dbraw/zinc/67/34/18/496673418.db2.gz PBTYBPODJPABAR-UHFFFAOYSA-N 1 2 372.182 3.489 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000179204988 496710246 /nfs/dbraw/zinc/71/02/46/496710246.db2.gz VTGMXQXIIQIMQP-AWEZNQCLSA-N 1 2 367.440 3.038 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000179204988 496710250 /nfs/dbraw/zinc/71/02/50/496710250.db2.gz VTGMXQXIIQIMQP-AWEZNQCLSA-N 1 2 367.440 3.038 20 30 FGEDLO C=CCn1c(COc2ccc(C)cc2)nnc1SCc1[nH+]ccn1C ZINC000268802995 496790748 /nfs/dbraw/zinc/79/07/48/496790748.db2.gz KVKPYVVTIPUMMK-UHFFFAOYSA-N 1 2 355.467 3.377 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195058634 496807208 /nfs/dbraw/zinc/80/72/08/496807208.db2.gz YFFSOCAJHNQSHY-HNNXBMFYSA-N 1 2 354.460 3.394 20 30 FGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000247535372 496882012 /nfs/dbraw/zinc/88/20/12/496882012.db2.gz JSNASMKVFUWAEC-ZYHUDNBSSA-N 1 2 361.667 3.076 20 30 FGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000247535372 496882005 /nfs/dbraw/zinc/88/20/05/496882005.db2.gz JSNASMKVFUWAEC-ZYHUDNBSSA-N 1 2 361.667 3.076 20 30 FGEDLO CC(=O)N(c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1)C1CC1 ZINC000269595648 496976206 /nfs/dbraw/zinc/97/62/06/496976206.db2.gz FZISQGPCUGASOX-UHFFFAOYSA-N 1 2 352.463 3.309 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000248269322 496976513 /nfs/dbraw/zinc/97/65/13/496976513.db2.gz YXBXMDPSVAGNCN-UHFFFAOYSA-N 1 2 367.896 3.021 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264752787 496978073 /nfs/dbraw/zinc/97/80/73/496978073.db2.gz RXWDCYBKZMAQGX-GFCCVEGCSA-N 1 2 361.352 3.294 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000189041322 496988012 /nfs/dbraw/zinc/98/80/12/496988012.db2.gz GEKFJFABEKRDHY-PZJWPPBQSA-N 1 2 374.550 3.061 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278200702 497036629 /nfs/dbraw/zinc/03/66/29/497036629.db2.gz WLASGLHCWHYXNT-YSVLISHTSA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278200702 497036636 /nfs/dbraw/zinc/03/66/36/497036636.db2.gz WLASGLHCWHYXNT-YSVLISHTSA-N 1 2 354.410 3.007 20 30 FGEDLO COCOc1ccc(OC)cc1CNc1[nH+]cccc1OCCCC#N ZINC000274274932 497058044 /nfs/dbraw/zinc/05/80/44/497058044.db2.gz SHPBXFTXEFHQGB-UHFFFAOYSA-N 1 2 357.410 3.368 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1C#N ZINC000270137524 497065115 /nfs/dbraw/zinc/06/51/15/497065115.db2.gz HXUOZANYUVPVTQ-UHFFFAOYSA-N 1 2 352.438 3.208 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000270137524 497065121 /nfs/dbraw/zinc/06/51/21/497065121.db2.gz HXUOZANYUVPVTQ-UHFFFAOYSA-N 1 2 352.438 3.208 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248824548 497111626 /nfs/dbraw/zinc/11/16/26/497111626.db2.gz WTWYUMHXBPXKSK-DLBZAZTESA-N 1 2 371.462 3.062 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248824548 497111630 /nfs/dbraw/zinc/11/16/30/497111630.db2.gz WTWYUMHXBPXKSK-DLBZAZTESA-N 1 2 371.462 3.062 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000192557694 497149362 /nfs/dbraw/zinc/14/93/62/497149362.db2.gz MOQOSPPLBGMKHE-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000192557694 497149370 /nfs/dbraw/zinc/14/93/70/497149370.db2.gz MOQOSPPLBGMKHE-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#CCc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000192839595 497227020 /nfs/dbraw/zinc/22/70/20/497227020.db2.gz VDDNFQBYZZYKSW-QGZVFWFLSA-N 1 2 370.478 3.009 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249739955 497239859 /nfs/dbraw/zinc/23/98/59/497239859.db2.gz HRSXBTPNHNEZOO-LMMKCTJWSA-N 1 2 355.482 3.180 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249739955 497239861 /nfs/dbraw/zinc/23/98/61/497239861.db2.gz HRSXBTPNHNEZOO-LMMKCTJWSA-N 1 2 355.482 3.180 20 30 FGEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000275506504 497347351 /nfs/dbraw/zinc/34/73/51/497347351.db2.gz UDDDESGESZKSBS-FXAWDEMLSA-N 1 2 357.454 3.123 20 30 FGEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000275506504 497347354 /nfs/dbraw/zinc/34/73/54/497347354.db2.gz UDDDESGESZKSBS-FXAWDEMLSA-N 1 2 357.454 3.123 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000193508613 497399104 /nfs/dbraw/zinc/39/91/04/497399104.db2.gz NKOZKKLOFLGTDX-HXUWFJFHSA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000193508613 497399108 /nfs/dbraw/zinc/39/91/08/497399108.db2.gz NKOZKKLOFLGTDX-HXUWFJFHSA-N 1 2 367.424 3.317 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190530605 497517800 /nfs/dbraw/zinc/51/78/00/497517800.db2.gz FMFZHSVRXQOEOK-OAHLLOKOSA-N 1 2 361.461 3.350 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246231407 497669761 /nfs/dbraw/zinc/66/97/61/497669761.db2.gz FVGNMJRITRGIQF-DQYPLSBCSA-N 1 2 354.853 3.322 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246231407 497669764 /nfs/dbraw/zinc/66/97/64/497669764.db2.gz FVGNMJRITRGIQF-DQYPLSBCSA-N 1 2 354.853 3.322 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246257976 497675569 /nfs/dbraw/zinc/67/55/69/497675569.db2.gz GZQDVZHWRBKLGQ-DLBZAZTESA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246257976 497675574 /nfs/dbraw/zinc/67/55/74/497675574.db2.gz GZQDVZHWRBKLGQ-DLBZAZTESA-N 1 2 364.852 3.169 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000272606513 497677403 /nfs/dbraw/zinc/67/74/03/497677403.db2.gz MLZRNLQPCBTMMR-IBGZPJMESA-N 1 2 361.486 3.429 20 30 FGEDLO CC1CCN(c2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])c[nH+]2)CC1 ZINC000268476427 497760421 /nfs/dbraw/zinc/76/04/21/497760421.db2.gz KLCVVPVCQNFXQP-UHFFFAOYSA-N 1 2 352.398 3.105 20 30 FGEDLO COCCn1nc(C)c(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)c1C ZINC000191333155 497783567 /nfs/dbraw/zinc/78/35/67/497783567.db2.gz YZYAOICFKZYDGN-VQHVLOKHSA-N 1 2 356.470 3.282 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000273152630 497804100 /nfs/dbraw/zinc/80/41/00/497804100.db2.gz ICFMOEHJIOQWLS-UHFFFAOYSA-N 1 2 352.438 3.059 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291977797 497822839 /nfs/dbraw/zinc/82/28/39/497822839.db2.gz WBTJKDLANSVOBL-JKSUJKDBSA-N 1 2 369.494 3.163 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291977797 497822843 /nfs/dbraw/zinc/82/28/43/497822843.db2.gz WBTJKDLANSVOBL-JKSUJKDBSA-N 1 2 369.494 3.163 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000292054131 497857951 /nfs/dbraw/zinc/85/79/51/497857951.db2.gz WDYQWCVDWPDCNY-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000292054131 497857957 /nfs/dbraw/zinc/85/79/57/497857957.db2.gz WDYQWCVDWPDCNY-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000329738854 497885215 /nfs/dbraw/zinc/88/52/15/497885215.db2.gz UPNPJWFIFJYGAP-LBPRGKRZSA-N 1 2 369.856 3.305 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000329738854 497885222 /nfs/dbraw/zinc/88/52/22/497885222.db2.gz UPNPJWFIFJYGAP-LBPRGKRZSA-N 1 2 369.856 3.305 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4ccccc4n3C(F)F)C2)nc1 ZINC000292133404 497892150 /nfs/dbraw/zinc/89/21/50/497892150.db2.gz IXYFTLXMLGCMIO-CQSZACIVSA-N 1 2 369.375 3.351 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4ccccc4n3C(F)F)C2)nc1 ZINC000292133404 497892154 /nfs/dbraw/zinc/89/21/54/497892154.db2.gz IXYFTLXMLGCMIO-CQSZACIVSA-N 1 2 369.375 3.351 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292149377 497898567 /nfs/dbraw/zinc/89/85/67/497898567.db2.gz KCMGFAWJLDQKPD-WMLDXEAASA-N 1 2 361.405 3.218 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292149377 497898572 /nfs/dbraw/zinc/89/85/72/497898572.db2.gz KCMGFAWJLDQKPD-WMLDXEAASA-N 1 2 361.405 3.218 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329794920 497903041 /nfs/dbraw/zinc/90/30/41/497903041.db2.gz GIOPBPKPXILMGP-KFKAGJAMSA-N 1 2 366.465 3.135 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)c[nH+]2)CCO1 ZINC000329806414 497908145 /nfs/dbraw/zinc/90/81/45/497908145.db2.gz LHOAESYJWBGYEQ-XGXHKWSGSA-N 1 2 372.513 3.279 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329806193 497908341 /nfs/dbraw/zinc/90/83/41/497908341.db2.gz AZEZMCDHEWBZAO-DOMZBBRYSA-N 1 2 367.881 3.375 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329806193 497908345 /nfs/dbraw/zinc/90/83/45/497908345.db2.gz AZEZMCDHEWBZAO-DOMZBBRYSA-N 1 2 367.881 3.375 20 30 FGEDLO CN(C(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2)C1CC1 ZINC000364342151 497909403 /nfs/dbraw/zinc/90/94/03/497909403.db2.gz LWWQUFOROCZUNK-GOSISDBHSA-N 1 2 357.885 3.435 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284826060 497913901 /nfs/dbraw/zinc/91/39/01/497913901.db2.gz MGRFONUOJHCOAU-OIISXLGYSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284826054 497913921 /nfs/dbraw/zinc/91/39/21/497913921.db2.gz MGRFONUOJHCOAU-HYVNUMGLSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284826060 497913909 /nfs/dbraw/zinc/91/39/09/497913909.db2.gz MGRFONUOJHCOAU-OIISXLGYSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284826054 497913931 /nfs/dbraw/zinc/91/39/31/497913931.db2.gz MGRFONUOJHCOAU-HYVNUMGLSA-N 1 2 374.510 3.018 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)Cn2c(CC)[nH+]c3ccccc32)[C@]12CCCO2 ZINC000329853157 497927587 /nfs/dbraw/zinc/92/75/87/497927587.db2.gz RWXMKRXZALQPDF-SQGPQFPESA-N 1 2 357.454 3.282 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(CC#N)cc2)c1C ZINC000572359326 505949670 /nfs/dbraw/zinc/94/96/70/505949670.db2.gz DXNMLZSZXCWPCO-UHFFFAOYSA-N 1 2 352.438 3.115 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1[C@H]1CCCO1 ZINC000329856477 497930404 /nfs/dbraw/zinc/93/04/04/497930404.db2.gz UVHJUDJANAOUQA-VQIMIIECSA-N 1 2 360.454 3.325 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1[C@H]1CCCO1 ZINC000329856477 497930411 /nfs/dbraw/zinc/93/04/11/497930411.db2.gz UVHJUDJANAOUQA-VQIMIIECSA-N 1 2 360.454 3.325 20 30 FGEDLO CCN1CCN(CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329919301 497952119 /nfs/dbraw/zinc/95/21/19/497952119.db2.gz ROIMVLJCYCIFBK-QGZVFWFLSA-N 1 2 355.486 3.302 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)c1 ZINC000329918333 497952810 /nfs/dbraw/zinc/95/28/10/497952810.db2.gz RDHZFDUBDOGVAF-FUHWJXTLSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)c1 ZINC000329918333 497952816 /nfs/dbraw/zinc/95/28/16/497952816.db2.gz RDHZFDUBDOGVAF-FUHWJXTLSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)on1 ZINC000329924622 497954881 /nfs/dbraw/zinc/95/48/81/497954881.db2.gz VAVLIGRMAITYKQ-OWIUFQIYSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)on1 ZINC000329924622 497954885 /nfs/dbraw/zinc/95/48/85/497954885.db2.gz VAVLIGRMAITYKQ-OWIUFQIYSA-N 1 2 366.481 3.320 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000364439076 497959046 /nfs/dbraw/zinc/95/90/46/497959046.db2.gz OTUVNEQKDFLHCP-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000364439076 497959049 /nfs/dbraw/zinc/95/90/49/497959049.db2.gz OTUVNEQKDFLHCP-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC2(C)C)on1 ZINC000329981801 497979183 /nfs/dbraw/zinc/97/91/83/497979183.db2.gz NZBIVWCKNGDOKP-YQQAZPJKSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC2(C)C)on1 ZINC000329981801 497979186 /nfs/dbraw/zinc/97/91/86/497979186.db2.gz NZBIVWCKNGDOKP-YQQAZPJKSA-N 1 2 366.481 3.320 20 30 FGEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C[C@H]21 ZINC000329993867 497983846 /nfs/dbraw/zinc/98/38/46/497983846.db2.gz YUNMONDUHPBTAX-RTBURBONSA-N 1 2 371.481 3.010 20 30 FGEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C[C@H]21 ZINC000329993867 497983855 /nfs/dbraw/zinc/98/38/55/497983855.db2.gz YUNMONDUHPBTAX-RTBURBONSA-N 1 2 371.481 3.010 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000581319060 505960859 /nfs/dbraw/zinc/96/08/59/505960859.db2.gz PSOLVNXFKOFHOA-GFCCVEGCSA-N 1 2 365.359 3.398 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132243 498033013 /nfs/dbraw/zinc/03/30/13/498033013.db2.gz QGHBKEAERIGGAJ-WHSLLNHNSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132243 498033019 /nfs/dbraw/zinc/03/30/19/498033019.db2.gz QGHBKEAERIGGAJ-WHSLLNHNSA-N 1 2 369.465 3.481 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000330135226 498034370 /nfs/dbraw/zinc/03/43/70/498034370.db2.gz MSUDYUGVCGMBMM-CTNGQTDRSA-N 1 2 374.481 3.222 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000330135226 498034376 /nfs/dbraw/zinc/03/43/76/498034376.db2.gz MSUDYUGVCGMBMM-CTNGQTDRSA-N 1 2 374.481 3.222 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330139635 498035365 /nfs/dbraw/zinc/03/53/65/498035365.db2.gz OZDSUCROSFUWOE-RDJZCZTQSA-N 1 2 359.470 3.347 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330139635 498035371 /nfs/dbraw/zinc/03/53/71/498035371.db2.gz OZDSUCROSFUWOE-RDJZCZTQSA-N 1 2 359.470 3.347 20 30 FGEDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330143038 498036852 /nfs/dbraw/zinc/03/68/52/498036852.db2.gz YQVUDTMPNFYNCD-OOSNJVJTSA-N 1 2 360.498 3.405 20 30 FGEDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000330143038 498036859 /nfs/dbraw/zinc/03/68/59/498036859.db2.gz YQVUDTMPNFYNCD-OOSNJVJTSA-N 1 2 360.498 3.405 20 30 FGEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4cccc(C#N)n4)CC3)n2)cc1 ZINC000301287822 498041172 /nfs/dbraw/zinc/04/11/72/498041172.db2.gz RMJSRDPDAYWAJN-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3coc(-c4ccccc4)n3)C2=O)cc1 ZINC000364599415 498044173 /nfs/dbraw/zinc/04/41/73/498044173.db2.gz DSYLENIIYPOQAJ-HXUWFJFHSA-N 1 2 372.428 3.104 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc(Cl)c1O ZINC000572460691 505974763 /nfs/dbraw/zinc/97/47/63/505974763.db2.gz WVICGPGRFVZRCP-UHFFFAOYSA-N 1 2 372.856 3.033 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC=C(C(F)(F)F)CC1 ZINC000330476679 498139770 /nfs/dbraw/zinc/13/97/70/498139770.db2.gz VCUJABRACHQXNZ-UHFFFAOYSA-N 1 2 356.270 3.054 20 30 FGEDLO N#Cc1ccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c(F)c1 ZINC000301524724 498148277 /nfs/dbraw/zinc/14/82/77/498148277.db2.gz PFNQVNUTMAEAPM-UHFFFAOYSA-N 1 2 350.319 3.438 20 30 FGEDLO CC(C)c1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nn1C(C)(C)C ZINC000330620700 498160999 /nfs/dbraw/zinc/16/09/99/498160999.db2.gz KVUBDDIUPFXKQX-HUUCEWRRSA-N 1 2 350.507 3.175 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)COc3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000289520607 498178698 /nfs/dbraw/zinc/17/86/98/498178698.db2.gz DEEGHHMVGVUZTE-UHFFFAOYSA-N 1 2 360.417 3.247 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527693 498182223 /nfs/dbraw/zinc/18/22/23/498182223.db2.gz ZTWNXHSFGOJDSX-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527693 498182225 /nfs/dbraw/zinc/18/22/25/498182225.db2.gz ZTWNXHSFGOJDSX-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO COc1cc(C#N)ccc1OCCCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351241544 498204041 /nfs/dbraw/zinc/20/40/41/498204041.db2.gz ZEUJZDMCRPOAKX-UHFFFAOYSA-N 1 2 364.405 3.256 20 30 FGEDLO C[C@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)[NH+]1CCOCC1 ZINC000331319156 498299476 /nfs/dbraw/zinc/29/94/76/498299476.db2.gz ZQQWDZMWHUQEFF-SECBINFHSA-N 1 2 350.221 3.179 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000297132124 498327651 /nfs/dbraw/zinc/32/76/51/498327651.db2.gz IYIKWBSHSHAFJR-UHFFFAOYSA-N 1 2 357.845 3.361 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365243364 498371386 /nfs/dbraw/zinc/37/13/86/498371386.db2.gz QJTVGSWLGWGMJG-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365243364 498371392 /nfs/dbraw/zinc/37/13/92/498371392.db2.gz QJTVGSWLGWGMJG-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000293404113 498372823 /nfs/dbraw/zinc/37/28/23/498372823.db2.gz HSMDRHNJUZAYQW-CHWSQXEVSA-N 1 2 352.265 3.443 20 30 FGEDLO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000331685187 498419942 /nfs/dbraw/zinc/41/99/42/498419942.db2.gz RTODMWGLRZSUAF-HNNXBMFYSA-N 1 2 369.469 3.012 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000302232349 498454812 /nfs/dbraw/zinc/45/48/12/498454812.db2.gz ZCQUJPHKZVXVNC-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000362469128 498520431 /nfs/dbraw/zinc/52/04/31/498520431.db2.gz CBDMPIQDNOLNMJ-UHFFFAOYSA-N 1 2 371.444 3.247 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000362742004 498548434 /nfs/dbraw/zinc/54/84/34/498548434.db2.gz QEZFYIIQEALILN-HXUWFJFHSA-N 1 2 362.433 3.139 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000581722559 506053804 /nfs/dbraw/zinc/05/38/04/506053804.db2.gz FKFHLKNJBGGJQI-MAUKXSAKSA-N 1 2 351.454 3.343 20 30 FGEDLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)cc1N(C)C ZINC000332482353 498700319 /nfs/dbraw/zinc/70/03/19/498700319.db2.gz YXVFNDQJLBOSKW-AWEZNQCLSA-N 1 2 352.442 3.067 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232798 498716734 /nfs/dbraw/zinc/71/67/34/498716734.db2.gz XRRHRKIWLNLJTM-IERDGZPVSA-N 1 2 371.444 3.187 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232798 498716743 /nfs/dbraw/zinc/71/67/43/498716743.db2.gz XRRHRKIWLNLJTM-IERDGZPVSA-N 1 2 371.444 3.187 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000298310912 498730131 /nfs/dbraw/zinc/73/01/31/498730131.db2.gz DXNBYCDVKIGHHU-HFEMZURISA-N 1 2 352.482 3.109 20 30 FGEDLO CCc1nnc(NC2CC[NH+](Cc3cscn3)CC2)c(C#N)c1CC ZINC000366063157 498756623 /nfs/dbraw/zinc/75/66/23/498756623.db2.gz UFYBOJKRAGYKHD-UHFFFAOYSA-N 1 2 356.499 3.006 20 30 FGEDLO Cc1cc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000570091779 506088618 /nfs/dbraw/zinc/08/86/18/506088618.db2.gz IYFSUMDXXVVDGZ-UHFFFAOYSA-N 1 2 371.531 3.365 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000283297683 498844650 /nfs/dbraw/zinc/84/46/50/498844650.db2.gz FKHMIHJBXRKUCP-UHFFFAOYSA-N 1 2 359.433 3.343 20 30 FGEDLO C[C@H](c1cccs1)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705106 498855556 /nfs/dbraw/zinc/85/55/56/498855556.db2.gz IKIPRLNYXFAPKY-TZMCWYRMSA-N 1 2 366.446 3.266 20 30 FGEDLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705106 498855568 /nfs/dbraw/zinc/85/55/68/498855568.db2.gz IKIPRLNYXFAPKY-TZMCWYRMSA-N 1 2 366.446 3.266 20 30 FGEDLO CCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000298742261 498866979 /nfs/dbraw/zinc/86/69/79/498866979.db2.gz RXIXSCWZRDUFFR-SFHVURJKSA-N 1 2 374.444 3.424 20 30 FGEDLO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000298742261 498866985 /nfs/dbraw/zinc/86/69/85/498866985.db2.gz RXIXSCWZRDUFFR-SFHVURJKSA-N 1 2 374.444 3.424 20 30 FGEDLO O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328652093 498889700 /nfs/dbraw/zinc/88/97/00/498889700.db2.gz BTWPLPMAOCJDHP-BEFAXECRSA-N 1 2 359.857 3.457 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)C2CCCCC2)nc[nH+]1 ZINC000328687947 498902672 /nfs/dbraw/zinc/90/26/72/498902672.db2.gz HJIOBCJLTLWYNH-NVXWUHKLSA-N 1 2 374.533 3.302 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)C2CCCCC2)[nH+]cn1 ZINC000328687947 498902675 /nfs/dbraw/zinc/90/26/75/498902675.db2.gz HJIOBCJLTLWYNH-NVXWUHKLSA-N 1 2 374.533 3.302 20 30 FGEDLO C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCC(=O)NC1 ZINC000328696002 498904489 /nfs/dbraw/zinc/90/44/89/498904489.db2.gz DFALCZRVJBFUQC-DCGLDWPTSA-N 1 2 353.463 3.374 20 30 FGEDLO C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCC(=O)NC1 ZINC000328696002 498904497 /nfs/dbraw/zinc/90/44/97/498904497.db2.gz DFALCZRVJBFUQC-DCGLDWPTSA-N 1 2 353.463 3.374 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cn1 ZINC000579187491 506113025 /nfs/dbraw/zinc/11/30/25/506113025.db2.gz GSKYMXMWZRXKRR-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cn1 ZINC000579187491 506113030 /nfs/dbraw/zinc/11/30/30/506113030.db2.gz GSKYMXMWZRXKRR-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H]4CCC[C@@H]43)n2)C1 ZINC000328819900 498949281 /nfs/dbraw/zinc/94/92/81/498949281.db2.gz HLPOXIMYHLUILG-VNQPRFMTSA-N 1 2 364.515 3.174 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H]4CCC[C@@H]43)n2)C1 ZINC000328819900 498949284 /nfs/dbraw/zinc/94/92/84/498949284.db2.gz HLPOXIMYHLUILG-VNQPRFMTSA-N 1 2 364.515 3.174 20 30 FGEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328865130 498965649 /nfs/dbraw/zinc/96/56/49/498965649.db2.gz NDYQYYQVIOCJND-ZBFHGGJFSA-N 1 2 364.511 3.134 20 30 FGEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328865130 498965657 /nfs/dbraw/zinc/96/56/57/498965657.db2.gz NDYQYYQVIOCJND-ZBFHGGJFSA-N 1 2 364.511 3.134 20 30 FGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3nc4ccc(C)cc4s3)C2)n1 ZINC000329029612 499019983 /nfs/dbraw/zinc/01/99/83/499019983.db2.gz KXIDFXSKVFPWOJ-LBPRGKRZSA-N 1 2 357.439 3.374 20 30 FGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3nc4ccc(C)cc4s3)C2)n1 ZINC000329029612 499019989 /nfs/dbraw/zinc/01/99/89/499019989.db2.gz KXIDFXSKVFPWOJ-LBPRGKRZSA-N 1 2 357.439 3.374 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000329067096 499031914 /nfs/dbraw/zinc/03/19/14/499031914.db2.gz WWACJQMACXQBNY-INIZCTEOSA-N 1 2 374.872 3.332 20 30 FGEDLO CC(C)(C)c1nc(=NC(=O)NC2CC[NH+](CC3CCCC3)CC2)s[nH]1 ZINC000329130290 499051122 /nfs/dbraw/zinc/05/11/22/499051122.db2.gz OHRAXWPVRHSKFP-UHFFFAOYSA-N 1 2 365.547 3.238 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@]3(C)CCCOC3)n2)C1 ZINC000329162906 499060524 /nfs/dbraw/zinc/06/05/24/499060524.db2.gz ZXZAGGHOMTXRHS-DYVFJYSZSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@]3(C)CCCOC3)n2)C1 ZINC000329162906 499060527 /nfs/dbraw/zinc/06/05/27/499060527.db2.gz ZXZAGGHOMTXRHS-DYVFJYSZSA-N 1 2 352.504 3.079 20 30 FGEDLO COc1cnc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000329232528 499079774 /nfs/dbraw/zinc/07/97/74/499079774.db2.gz GBOGZIGGVTZGJX-GFCCVEGCSA-N 1 2 361.471 3.110 20 30 FGEDLO C[N@@H+]1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274048 499080819 /nfs/dbraw/zinc/08/08/19/499080819.db2.gz NAUIPJAMSBAKGL-XLIONFOSSA-N 1 2 368.868 3.185 20 30 FGEDLO C[N@H+]1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000284274048 499080823 /nfs/dbraw/zinc/08/08/23/499080823.db2.gz NAUIPJAMSBAKGL-XLIONFOSSA-N 1 2 368.868 3.185 20 30 FGEDLO CC(C)[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000329260231 499085883 /nfs/dbraw/zinc/08/58/83/499085883.db2.gz YXAWLJKLMAOOHY-HOCLYGCPSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000329260231 499085890 /nfs/dbraw/zinc/08/58/90/499085890.db2.gz YXAWLJKLMAOOHY-HOCLYGCPSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC000329383960 499112985 /nfs/dbraw/zinc/11/29/85/499112985.db2.gz PCAQKXLCANRWLE-HNNXBMFYSA-N 1 2 367.497 3.495 20 30 FGEDLO C[C@@H]1c2ccsc2CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329411784 499117227 /nfs/dbraw/zinc/11/72/27/499117227.db2.gz CFDBRUJMSCQROT-DYVFJYSZSA-N 1 2 374.510 3.483 20 30 FGEDLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000329417838 499118069 /nfs/dbraw/zinc/11/80/69/499118069.db2.gz DMUMGHRYYWNZTA-DGCLKSJQSA-N 1 2 367.291 3.379 20 30 FGEDLO C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000329417838 499118070 /nfs/dbraw/zinc/11/80/70/499118070.db2.gz DMUMGHRYYWNZTA-DGCLKSJQSA-N 1 2 367.291 3.379 20 30 FGEDLO O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329423848 499119032 /nfs/dbraw/zinc/11/90/32/499119032.db2.gz GGDXSGTVTCHEFL-OAHLLOKOSA-N 1 2 367.453 3.112 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000366942523 499119765 /nfs/dbraw/zinc/11/97/65/499119765.db2.gz DTSOTJHIRHDXAN-HNAYVOBHSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000366942523 499119768 /nfs/dbraw/zinc/11/97/68/499119768.db2.gz DTSOTJHIRHDXAN-HNAYVOBHSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068274 499143201 /nfs/dbraw/zinc/14/32/01/499143201.db2.gz WNSXGTXNIYVFAC-OAHLLOKOSA-N 1 2 360.421 3.145 20 30 FGEDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000367094399 499148072 /nfs/dbraw/zinc/14/80/72/499148072.db2.gz PIVHUEASZMWROT-GFCCVEGCSA-N 1 2 356.430 3.094 20 30 FGEDLO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000367333789 499183407 /nfs/dbraw/zinc/18/34/07/499183407.db2.gz KYYNEVOMHQZSDA-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000367333789 499183410 /nfs/dbraw/zinc/18/34/10/499183410.db2.gz KYYNEVOMHQZSDA-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367761054 499231494 /nfs/dbraw/zinc/23/14/94/499231494.db2.gz OSHOZKGBBAUKGB-OALUTQOASA-N 1 2 350.466 3.003 20 30 FGEDLO C#C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367817404 499235611 /nfs/dbraw/zinc/23/56/11/499235611.db2.gz YBVNTUWATDPZGC-LRDDRELGSA-N 1 2 360.820 3.086 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000368219825 499274991 /nfs/dbraw/zinc/27/49/91/499274991.db2.gz AWOUESXMWMTNOB-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470774 499331501 /nfs/dbraw/zinc/33/15/01/499331501.db2.gz OKUOFQCYLDMGTH-VLIAUNLRSA-N 1 2 366.490 3.187 20 30 FGEDLO CC(C)Cc1ncc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470774 499331502 /nfs/dbraw/zinc/33/15/02/499331502.db2.gz OKUOFQCYLDMGTH-VLIAUNLRSA-N 1 2 366.490 3.187 20 30 FGEDLO C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000369081194 499363547 /nfs/dbraw/zinc/36/35/47/499363547.db2.gz ATUMRVNQEXOYHR-YLJYHZDGSA-N 1 2 374.529 3.315 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373769200 499487093 /nfs/dbraw/zinc/48/70/93/499487093.db2.gz GSEIGBGFWINMNB-CVEARBPZSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373769200 499487094 /nfs/dbraw/zinc/48/70/94/499487094.db2.gz GSEIGBGFWINMNB-CVEARBPZSA-N 1 2 364.852 3.217 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000378381589 499509741 /nfs/dbraw/zinc/50/97/41/499509741.db2.gz VNPLWYHJLXRALA-UHFFFAOYSA-N 1 2 359.433 3.343 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375358629 499510324 /nfs/dbraw/zinc/51/03/24/499510324.db2.gz YUZFBUJDFBJLEX-INIZCTEOSA-N 1 2 374.448 3.277 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375358629 499510326 /nfs/dbraw/zinc/51/03/26/499510326.db2.gz YUZFBUJDFBJLEX-INIZCTEOSA-N 1 2 374.448 3.277 20 30 FGEDLO Cn1nccc1C1=CC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000375685504 499545218 /nfs/dbraw/zinc/54/52/18/499545218.db2.gz RBJYYLBPBIFSCM-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cn1nccc1C1=CC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000375685504 499545220 /nfs/dbraw/zinc/54/52/20/499545220.db2.gz RBJYYLBPBIFSCM-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935936 499569772 /nfs/dbraw/zinc/56/97/72/499569772.db2.gz YATDNOQXTMBTBT-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935936 499569774 /nfs/dbraw/zinc/56/97/74/499569774.db2.gz YATDNOQXTMBTBT-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000376094418 499582659 /nfs/dbraw/zinc/58/26/59/499582659.db2.gz RGBAWOKISUMKGM-HNNXBMFYSA-N 1 2 354.429 3.115 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](CC=C)Cc2cc(Br)ccc2F)C1=O ZINC000410341186 499656132 /nfs/dbraw/zinc/65/61/32/499656132.db2.gz UPYAULLEXBHMCV-MRXNPFEDSA-N 1 2 367.262 3.363 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](CC=C)Cc2cc(Br)ccc2F)C1=O ZINC000410341186 499656133 /nfs/dbraw/zinc/65/61/33/499656133.db2.gz UPYAULLEXBHMCV-MRXNPFEDSA-N 1 2 367.262 3.363 20 30 FGEDLO N#C[C@@H]1[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@]12CCCCO2 ZINC000377119551 499663960 /nfs/dbraw/zinc/66/39/60/499663960.db2.gz JYHDXVCYSCJYKW-KAGYGMCKSA-N 1 2 367.493 3.076 20 30 FGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@]12CCCCO2 ZINC000377119551 499663961 /nfs/dbraw/zinc/66/39/61/499663961.db2.gz JYHDXVCYSCJYKW-KAGYGMCKSA-N 1 2 367.493 3.076 20 30 FGEDLO CCCC(C#N)(CCC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410561312 499668001 /nfs/dbraw/zinc/66/80/01/499668001.db2.gz WHXRLFCXTCIDQC-UHFFFAOYSA-N 1 2 355.398 3.373 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCc1ccccc1 ZINC000411188219 499708817 /nfs/dbraw/zinc/70/88/17/499708817.db2.gz CMTRXSBVTNUYJA-MRXNPFEDSA-N 1 2 353.422 3.288 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCc1ccccc1 ZINC000411188219 499708819 /nfs/dbraw/zinc/70/88/19/499708819.db2.gz CMTRXSBVTNUYJA-MRXNPFEDSA-N 1 2 353.422 3.288 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377681232 499718978 /nfs/dbraw/zinc/71/89/78/499718978.db2.gz WIQJJLVMFGVUSA-IBGZPJMESA-N 1 2 353.447 3.028 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377681232 499718979 /nfs/dbraw/zinc/71/89/79/499718979.db2.gz WIQJJLVMFGVUSA-IBGZPJMESA-N 1 2 353.447 3.028 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000411313929 499725136 /nfs/dbraw/zinc/72/51/36/499725136.db2.gz CGHXFLLSSNRZRG-QGZVFWFLSA-N 1 2 350.422 3.107 20 30 FGEDLO C=CCOc1cccc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000377829856 499739473 /nfs/dbraw/zinc/73/94/73/499739473.db2.gz ZCUWONIALSTNBN-AWEZNQCLSA-N 1 2 366.387 3.257 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411992300 499810902 /nfs/dbraw/zinc/81/09/02/499810902.db2.gz YWVQOSQMLQUYQL-VQTJNVASSA-N 1 2 350.418 3.316 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411992300 499810903 /nfs/dbraw/zinc/81/09/03/499810903.db2.gz YWVQOSQMLQUYQL-VQTJNVASSA-N 1 2 350.418 3.316 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213581 499927796 /nfs/dbraw/zinc/92/77/96/499927796.db2.gz JTNYCDNWPYXFOC-IRXDYDNUSA-N 1 2 360.820 3.230 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213581 499927797 /nfs/dbraw/zinc/92/77/97/499927797.db2.gz JTNYCDNWPYXFOC-IRXDYDNUSA-N 1 2 360.820 3.230 20 30 FGEDLO Cc1c(Cl)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1C ZINC000421317881 500016411 /nfs/dbraw/zinc/01/64/11/500016411.db2.gz AJCRGEAFONFOFG-UHFFFAOYSA-N 1 2 371.872 3.104 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429219057 500025747 /nfs/dbraw/zinc/02/57/47/500025747.db2.gz JRFZBRVKSLWRST-SFHVURJKSA-N 1 2 354.841 3.013 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC000425214166 500046111 /nfs/dbraw/zinc/04/61/11/500046111.db2.gz ZZXOGQVLPDFYPP-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1 ZINC000425385984 500091841 /nfs/dbraw/zinc/09/18/41/500091841.db2.gz QMDCYAWDLLXIPP-UHFFFAOYSA-N 1 2 350.509 3.187 20 30 FGEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1 ZINC000425385984 500091845 /nfs/dbraw/zinc/09/18/45/500091845.db2.gz QMDCYAWDLLXIPP-UHFFFAOYSA-N 1 2 350.509 3.187 20 30 FGEDLO CCOc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000576527345 506178849 /nfs/dbraw/zinc/17/88/49/506178849.db2.gz XWYNVKGDBOFAEI-AWEZNQCLSA-N 1 2 371.872 3.111 20 30 FGEDLO CCOc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000576527345 506178850 /nfs/dbraw/zinc/17/88/50/506178850.db2.gz XWYNVKGDBOFAEI-AWEZNQCLSA-N 1 2 371.872 3.111 20 30 FGEDLO C=CCN1C(=O)N(Cc2cn3ccc(C)cc3[nH+]2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431007601 500321865 /nfs/dbraw/zinc/32/18/65/500321865.db2.gz VMVRACVQGPKTQE-IBGZPJMESA-N 1 2 374.444 3.204 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419321207 500353142 /nfs/dbraw/zinc/35/31/42/500353142.db2.gz YWVQOSQMLQUYQL-WOJBJXKFSA-N 1 2 350.418 3.316 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419321207 500353145 /nfs/dbraw/zinc/35/31/45/500353145.db2.gz YWVQOSQMLQUYQL-WOJBJXKFSA-N 1 2 350.418 3.316 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000427989878 500455263 /nfs/dbraw/zinc/45/52/63/500455263.db2.gz HMRRKCFKLSWSCF-QGZVFWFLSA-N 1 2 358.401 3.292 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cncc(C#N)n2)cc1 ZINC000420609722 500477404 /nfs/dbraw/zinc/47/74/04/500477404.db2.gz KVQFYSVTVGFCGY-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)nn1 ZINC000424291797 500482479 /nfs/dbraw/zinc/48/24/79/500482479.db2.gz FNHCTTXXSMJLKD-CRAIPNDOSA-N 1 2 374.460 3.402 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000428248156 500486462 /nfs/dbraw/zinc/48/64/62/500486462.db2.gz BIHYNIGQYSFWLA-SFHVURJKSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000428248156 500486463 /nfs/dbraw/zinc/48/64/63/500486463.db2.gz BIHYNIGQYSFWLA-SFHVURJKSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000420791104 500502243 /nfs/dbraw/zinc/50/22/43/500502243.db2.gz GNSYBKGWIHRQCQ-UHFFFAOYSA-N 1 2 355.467 3.004 20 30 FGEDLO CCN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)C1=O ZINC000428431411 500509318 /nfs/dbraw/zinc/50/93/18/500509318.db2.gz SYCRAQUCDVHFOE-KRWDZBQOSA-N 1 2 363.461 3.190 20 30 FGEDLO CCN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H](C)C1=O ZINC000428431411 500509320 /nfs/dbraw/zinc/50/93/20/500509320.db2.gz SYCRAQUCDVHFOE-KRWDZBQOSA-N 1 2 363.461 3.190 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000428467797 500514341 /nfs/dbraw/zinc/51/43/41/500514341.db2.gz BEBCZKZUXBZVBX-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000428467797 500514342 /nfs/dbraw/zinc/51/43/42/500514342.db2.gz BEBCZKZUXBZVBX-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cnc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(Cl)c1 ZINC000432499523 500523584 /nfs/dbraw/zinc/52/35/84/500523584.db2.gz HJDJEYOJRDAEFT-DAXSKMNVSA-N 1 2 366.852 3.078 20 30 FGEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420924627 500531716 /nfs/dbraw/zinc/53/17/16/500531716.db2.gz KGKOPWFDGXXJNG-GXTWGEPZSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420924627 500531718 /nfs/dbraw/zinc/53/17/18/500531718.db2.gz KGKOPWFDGXXJNG-GXTWGEPZSA-N 1 2 363.483 3.000 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000432600418 500536934 /nfs/dbraw/zinc/53/69/34/500536934.db2.gz YYNQKQAYSTUZBR-UHFFFAOYSA-N 1 2 363.477 3.264 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432718843 500552221 /nfs/dbraw/zinc/55/22/21/500552221.db2.gz RBOLVBPLDCBNID-UHFFFAOYSA-N 1 2 361.449 3.103 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030462 500559420 /nfs/dbraw/zinc/55/94/20/500559420.db2.gz VTXNDSKMESCSAO-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030462 500559421 /nfs/dbraw/zinc/55/94/21/500559421.db2.gz VTXNDSKMESCSAO-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147189 500607327 /nfs/dbraw/zinc/60/73/27/500607327.db2.gz SAQPZJQGZPFSDL-YPMHNXCESA-N 1 2 350.287 3.047 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147189 500607329 /nfs/dbraw/zinc/60/73/29/500607329.db2.gz SAQPZJQGZPFSDL-YPMHNXCESA-N 1 2 350.287 3.047 20 30 FGEDLO C=CCC[C@@H](C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000433108658 500627401 /nfs/dbraw/zinc/62/74/01/500627401.db2.gz AFVQUGQVVXOOFR-MOPGFXCFSA-N 1 2 352.482 3.365 20 30 FGEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437433581 500643838 /nfs/dbraw/zinc/64/38/38/500643838.db2.gz OJYJPDLWFMUERT-UHFFFAOYSA-N 1 2 373.403 3.490 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000443077489 500676279 /nfs/dbraw/zinc/67/62/79/500676279.db2.gz UWIXGMSPFUKXKZ-QGZVFWFLSA-N 1 2 360.417 3.227 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000439487102 500905527 /nfs/dbraw/zinc/90/55/27/500905527.db2.gz ZVTUQVYPOOHSKK-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000439487102 500905529 /nfs/dbraw/zinc/90/55/29/500905529.db2.gz ZVTUQVYPOOHSKK-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000435043275 500926241 /nfs/dbraw/zinc/92/62/41/500926241.db2.gz YRBZSYWYNNOMGX-UHFFFAOYSA-N 1 2 350.809 3.207 20 30 FGEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000439824437 500942156 /nfs/dbraw/zinc/94/21/56/500942156.db2.gz OROGEBAYKYJGBU-UHFFFAOYSA-N 1 2 374.257 3.157 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000440510053 501018074 /nfs/dbraw/zinc/01/80/74/501018074.db2.gz WKISMEJWFUMBQM-IBGZPJMESA-N 1 2 363.889 3.107 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000440510053 501018077 /nfs/dbraw/zinc/01/80/77/501018077.db2.gz WKISMEJWFUMBQM-IBGZPJMESA-N 1 2 363.889 3.107 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000440510053 501018078 /nfs/dbraw/zinc/01/80/78/501018078.db2.gz WKISMEJWFUMBQM-IBGZPJMESA-N 1 2 363.889 3.107 20 30 FGEDLO C=CCC[C@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OCC ZINC000449654695 501051139 /nfs/dbraw/zinc/05/11/39/501051139.db2.gz FITYTJACFUYAHV-AWEZNQCLSA-N 1 2 366.259 3.084 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000446070215 501069118 /nfs/dbraw/zinc/06/91/18/501069118.db2.gz XXYLWZYEEXGFBJ-SFHVURJKSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000446070215 501069120 /nfs/dbraw/zinc/06/91/20/501069120.db2.gz XXYLWZYEEXGFBJ-SFHVURJKSA-N 1 2 372.513 3.123 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)s1 ZINC000449899620 501121162 /nfs/dbraw/zinc/12/11/62/501121162.db2.gz BVZFRXQITIUVRC-HXUWFJFHSA-N 1 2 357.523 3.429 20 30 FGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450609362 501165684 /nfs/dbraw/zinc/16/56/84/501165684.db2.gz DLBRCDBSZNCXPB-VLIAUNLRSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450609362 501165689 /nfs/dbraw/zinc/16/56/89/501165689.db2.gz DLBRCDBSZNCXPB-VLIAUNLRSA-N 1 2 351.837 3.494 20 30 FGEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450657378 501179103 /nfs/dbraw/zinc/17/91/03/501179103.db2.gz LJRVLCARIMLNMQ-KRWDZBQOSA-N 1 2 373.298 3.325 20 30 FGEDLO COc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1C#N ZINC000446962769 501187325 /nfs/dbraw/zinc/18/73/25/501187325.db2.gz PGFXXESNWGKZRG-UHFFFAOYSA-N 1 2 357.211 3.240 20 30 FGEDLO COc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1C#N ZINC000446962769 501187328 /nfs/dbraw/zinc/18/73/28/501187328.db2.gz PGFXXESNWGKZRG-UHFFFAOYSA-N 1 2 357.211 3.240 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000450252757 501219763 /nfs/dbraw/zinc/21/97/63/501219763.db2.gz ALXOQNAFOHQFQS-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450253815 501219826 /nfs/dbraw/zinc/21/98/26/501219826.db2.gz QEZZRQODIDRIKX-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596075281 506244004 /nfs/dbraw/zinc/24/40/04/506244004.db2.gz GTCHQBJKLBMEFH-AWEZNQCLSA-N 1 2 367.409 3.007 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CC#Cc2ccccc2)c1 ZINC000451464987 501298323 /nfs/dbraw/zinc/29/83/23/501298323.db2.gz VDSQZJXNLMCOBS-LJQANCHMSA-N 1 2 374.278 3.475 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000451464987 501298324 /nfs/dbraw/zinc/29/83/24/501298324.db2.gz VDSQZJXNLMCOBS-LJQANCHMSA-N 1 2 374.278 3.475 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457775760 501306159 /nfs/dbraw/zinc/30/61/59/501306159.db2.gz KUSUQKYXRDUXBZ-NEWSRXKRSA-N 1 2 357.498 3.297 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)cc(OC)c1OC ZINC000455460862 501308264 /nfs/dbraw/zinc/30/82/64/501308264.db2.gz IALIJZYQIFGEPX-AWEZNQCLSA-N 1 2 372.469 3.209 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000455759218 501380048 /nfs/dbraw/zinc/38/00/48/501380048.db2.gz WOEOHAXTTKQKLS-UHFFFAOYSA-N 1 2 355.829 3.155 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c(Br)c1 ZINC000611681835 506255365 /nfs/dbraw/zinc/25/53/65/506255365.db2.gz FBHOJHJUPAOWFE-OAHLLOKOSA-N 1 2 367.193 3.422 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1[nH+]ccn1CC ZINC000452569291 501524906 /nfs/dbraw/zinc/52/49/06/501524906.db2.gz FMLCKTLXGQJIFK-UHFFFAOYSA-N 1 2 353.344 3.417 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nccc4ccsc43)CC2)cc1 ZINC000598979397 506258337 /nfs/dbraw/zinc/25/83/37/506258337.db2.gz YWRAZVCJVFFRLK-UHFFFAOYSA-N 1 2 362.458 3.126 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@H](C)C1 ZINC000459229197 501616412 /nfs/dbraw/zinc/61/64/12/501616412.db2.gz DIESOBAECDIMSM-QGZVFWFLSA-N 1 2 372.513 3.241 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@H](C)C1 ZINC000459229197 501616415 /nfs/dbraw/zinc/61/64/15/501616415.db2.gz DIESOBAECDIMSM-QGZVFWFLSA-N 1 2 372.513 3.241 20 30 FGEDLO CCOc1ccc([C@H](COC)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459456732 501656879 /nfs/dbraw/zinc/65/68/79/501656879.db2.gz PKUHDYWXJAOAJP-SFHVURJKSA-N 1 2 355.394 3.342 20 30 FGEDLO C=CCC[C@H](CO)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455024705 501674112 /nfs/dbraw/zinc/67/41/12/501674112.db2.gz PDJLMDAULBVXNE-MRXNPFEDSA-N 1 2 352.438 3.050 20 30 FGEDLO COC1(c2ccccc2)C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000459551332 501675250 /nfs/dbraw/zinc/67/52/50/501675250.db2.gz NNISYJBPFPQXQY-UHFFFAOYSA-N 1 2 373.460 3.216 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000457556108 501720458 /nfs/dbraw/zinc/72/04/58/501720458.db2.gz CZVPEDBBRIRFGA-MZMPZRCHSA-N 1 2 352.425 3.055 20 30 FGEDLO Cc1cc(N2CCCOC(C)(C)C2)c(C#N)c(N2CCCOC(C)(C)C2)[nH+]1 ZINC000596130741 506272179 /nfs/dbraw/zinc/27/21/79/506272179.db2.gz FGCQFJGSIPBIJP-UHFFFAOYSA-N 1 2 372.513 3.272 20 30 FGEDLO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460601988 501872558 /nfs/dbraw/zinc/87/25/58/501872558.db2.gz YMOYJCMDCNFBSI-MRXNPFEDSA-N 1 2 372.852 3.023 20 30 FGEDLO N#CCc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474658696 501912202 /nfs/dbraw/zinc/91/22/02/501912202.db2.gz ORAIPYGFVVZLEX-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO N#CCc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474658696 501912205 /nfs/dbraw/zinc/91/22/05/501912205.db2.gz ORAIPYGFVVZLEX-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464586738 502038162 /nfs/dbraw/zinc/03/81/62/502038162.db2.gz KXGZSGACBWZJIF-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464586738 502038166 /nfs/dbraw/zinc/03/81/66/502038166.db2.gz KXGZSGACBWZJIF-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464726244 502075058 /nfs/dbraw/zinc/07/50/58/502075058.db2.gz RCYYFJXLTDIRGB-SFHVURJKSA-N 1 2 354.498 3.176 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)CC2)c1C#N ZINC000471810986 502143689 /nfs/dbraw/zinc/14/36/89/502143689.db2.gz QECOUMSLIJESIT-UHFFFAOYSA-N 1 2 362.481 3.021 20 30 FGEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000468978806 502250869 /nfs/dbraw/zinc/25/08/69/502250869.db2.gz LRMQGZJZOSZMDO-VHSXEESVSA-N 1 2 360.405 3.154 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000483120099 502279833 /nfs/dbraw/zinc/27/98/33/502279833.db2.gz JSNBEINWFALBBY-HNNXBMFYSA-N 1 2 354.303 3.419 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc(OC)c1O ZINC000483437644 502392615 /nfs/dbraw/zinc/39/26/15/502392615.db2.gz KZRZQSOQJNCRHS-HXUWFJFHSA-N 1 2 369.461 3.409 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc(OC)c1O ZINC000483437644 502392619 /nfs/dbraw/zinc/39/26/19/502392619.db2.gz KZRZQSOQJNCRHS-HXUWFJFHSA-N 1 2 369.461 3.409 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472599212 502397237 /nfs/dbraw/zinc/39/72/37/502397237.db2.gz HZDRKYOOOURMHH-JOCHJYFZSA-N 1 2 361.445 3.467 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472599212 502397240 /nfs/dbraw/zinc/39/72/40/502397240.db2.gz HZDRKYOOOURMHH-JOCHJYFZSA-N 1 2 361.445 3.467 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472634820 502407069 /nfs/dbraw/zinc/40/70/69/502407069.db2.gz IBXUDMZYBSCJLV-LEWJYISDSA-N 1 2 355.482 3.011 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472634820 502407075 /nfs/dbraw/zinc/40/70/75/502407075.db2.gz IBXUDMZYBSCJLV-LEWJYISDSA-N 1 2 355.482 3.011 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483522189 502419844 /nfs/dbraw/zinc/41/98/44/502419844.db2.gz YWISITLBIJDAIN-UHFFFAOYSA-N 1 2 361.804 3.430 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483522189 502419852 /nfs/dbraw/zinc/41/98/52/502419852.db2.gz YWISITLBIJDAIN-UHFFFAOYSA-N 1 2 361.804 3.430 20 30 FGEDLO C=CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583653 502484511 /nfs/dbraw/zinc/48/45/11/502484511.db2.gz MMNCMDUQGKOWLF-YADHBBJMSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583653 502484517 /nfs/dbraw/zinc/48/45/17/502484517.db2.gz MMNCMDUQGKOWLF-YADHBBJMSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583652 502484562 /nfs/dbraw/zinc/48/45/62/502484562.db2.gz MMNCMDUQGKOWLF-VXKWHMMOSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583652 502484566 /nfs/dbraw/zinc/48/45/66/502484566.db2.gz MMNCMDUQGKOWLF-VXKWHMMOSA-N 1 2 364.489 3.364 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462574715 502492079 /nfs/dbraw/zinc/49/20/79/502492079.db2.gz NFLXPPNQMQSUHD-HNNXBMFYSA-N 1 2 366.446 3.092 20 30 FGEDLO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473030093 502504833 /nfs/dbraw/zinc/50/48/33/502504833.db2.gz ZUGWOJSZDIANBY-CYBMUJFWSA-N 1 2 350.509 3.048 20 30 FGEDLO C=C(C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000487871820 502552535 /nfs/dbraw/zinc/55/25/35/502552535.db2.gz CVPVSGYGJCSTMV-INIZCTEOSA-N 1 2 363.230 3.418 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000469883589 502583590 /nfs/dbraw/zinc/58/35/90/502583590.db2.gz JQPPLFQWHQIRRK-QZTJIDSGSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000469883589 502583599 /nfs/dbraw/zinc/58/35/99/502583599.db2.gz JQPPLFQWHQIRRK-QZTJIDSGSA-N 1 2 359.351 3.151 20 30 FGEDLO N#Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000462840668 502595939 /nfs/dbraw/zinc/59/59/39/502595939.db2.gz WWPODSJYHCJOSY-UHFFFAOYSA-N 1 2 370.372 3.234 20 30 FGEDLO C[C@H]1C[NH+](Cc2nnc(-c3cccc4ccccc43)o2)C[C@H](C)N1CC#N ZINC000602848539 506325746 /nfs/dbraw/zinc/32/57/46/506325746.db2.gz GRUDIMCKLZVOTK-HOTGVXAUSA-N 1 2 361.449 3.308 20 30 FGEDLO CC(C)Oc1ccnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000593000724 506329268 /nfs/dbraw/zinc/32/92/68/506329268.db2.gz SQYJJNIAGRVJKO-UHFFFAOYSA-N 1 2 350.466 3.058 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2Br)C1=O ZINC000463205422 502718737 /nfs/dbraw/zinc/71/87/37/502718737.db2.gz PPAXOUOLSDMYHE-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2Br)C1=O ZINC000463205422 502718731 /nfs/dbraw/zinc/71/87/31/502718731.db2.gz PPAXOUOLSDMYHE-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000602871197 506332111 /nfs/dbraw/zinc/33/21/11/506332111.db2.gz ZDOPGZFAXWEHDF-LPHOPBHVSA-N 1 2 360.461 3.308 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCN1CC(F)F ZINC000481124407 502760481 /nfs/dbraw/zinc/76/04/81/502760481.db2.gz YUCZNOJKISKGBE-CQSZACIVSA-N 1 2 372.257 3.482 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCN1CC(F)F ZINC000481124407 502760483 /nfs/dbraw/zinc/76/04/83/502760483.db2.gz YUCZNOJKISKGBE-CQSZACIVSA-N 1 2 372.257 3.482 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882995 506337163 /nfs/dbraw/zinc/33/71/63/506337163.db2.gz VPKVZIVKFRNSNO-WMLDXEAASA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882995 506337169 /nfs/dbraw/zinc/33/71/69/506337169.db2.gz VPKVZIVKFRNSNO-WMLDXEAASA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882998 506337264 /nfs/dbraw/zinc/33/72/64/506337264.db2.gz VPKVZIVKFRNSNO-YOEHRIQHSA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882998 506337265 /nfs/dbraw/zinc/33/72/65/506337265.db2.gz VPKVZIVKFRNSNO-YOEHRIQHSA-N 1 2 369.494 3.437 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513102426 502852353 /nfs/dbraw/zinc/85/23/53/502852353.db2.gz YUCNOXSWRQUDNK-IBGZPJMESA-N 1 2 368.868 3.064 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)CCC#N)CC2)s1 ZINC000513117502 502856251 /nfs/dbraw/zinc/85/62/51/502856251.db2.gz CYRYLBPGDHWEGU-UHFFFAOYSA-N 1 2 362.543 3.468 20 30 FGEDLO Cn1cc(Br)c(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602902315 506342542 /nfs/dbraw/zinc/34/25/42/506342542.db2.gz WRCBDONCUDBANY-UHFFFAOYSA-N 1 2 374.286 3.131 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000505584606 502941767 /nfs/dbraw/zinc/94/17/67/502941767.db2.gz INCUZJCTYUZKDZ-QFBILLFUSA-N 1 2 366.465 3.050 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513660839 502993519 /nfs/dbraw/zinc/99/35/19/502993519.db2.gz OMWRDBVKAWNNNS-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513660839 502993524 /nfs/dbraw/zinc/99/35/24/502993524.db2.gz OMWRDBVKAWNNNS-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489696045 503013587 /nfs/dbraw/zinc/01/35/87/503013587.db2.gz IINHYBCEBWOJBI-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489696045 503013592 /nfs/dbraw/zinc/01/35/92/503013592.db2.gz IINHYBCEBWOJBI-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1ccccc1 ZINC000510027149 503032773 /nfs/dbraw/zinc/03/27/73/503032773.db2.gz GSFUHQPQYUXJMY-UHFFFAOYSA-N 1 2 374.444 3.219 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000506100047 503046856 /nfs/dbraw/zinc/04/68/56/503046856.db2.gz ZCFMJJKODWKKKS-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)s1 ZINC000506100047 503046861 /nfs/dbraw/zinc/04/68/61/503046861.db2.gz ZCFMJJKODWKKKS-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513918806 503048558 /nfs/dbraw/zinc/04/85/58/503048558.db2.gz PIBQAUIWILBDOP-HXUWFJFHSA-N 1 2 368.477 3.084 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)nc1 ZINC000602914190 506349510 /nfs/dbraw/zinc/34/95/10/506349510.db2.gz YRPBGNWZJICGQF-UHFFFAOYSA-N 1 2 351.435 3.444 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000490053713 503100002 /nfs/dbraw/zinc/10/00/02/503100002.db2.gz MIBOVUBHKNFBFN-AEFFLSMTSA-N 1 2 351.878 3.014 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000490053713 503100005 /nfs/dbraw/zinc/10/00/05/503100005.db2.gz MIBOVUBHKNFBFN-AEFFLSMTSA-N 1 2 351.878 3.014 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000490100477 503109399 /nfs/dbraw/zinc/10/93/99/503109399.db2.gz HMUONWLLEQKHKI-LJQANCHMSA-N 1 2 359.433 3.221 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000490100477 503109404 /nfs/dbraw/zinc/10/94/04/503109404.db2.gz HMUONWLLEQKHKI-LJQANCHMSA-N 1 2 359.433 3.221 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000498157562 503120373 /nfs/dbraw/zinc/12/03/73/503120373.db2.gz UQJIACRSVYDTGS-UHFFFAOYSA-N 1 2 364.449 3.465 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000510693154 503174776 /nfs/dbraw/zinc/17/47/76/503174776.db2.gz NRKHQVMTHXGMPJ-UHFFFAOYSA-N 1 2 366.440 3.332 20 30 FGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333274 503181441 /nfs/dbraw/zinc/18/14/41/503181441.db2.gz NMFZKGKNJVSAPB-NHCUHLMSSA-N 1 2 369.509 3.249 20 30 FGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333274 503181442 /nfs/dbraw/zinc/18/14/42/503181442.db2.gz NMFZKGKNJVSAPB-NHCUHLMSSA-N 1 2 369.509 3.249 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000502358886 503185577 /nfs/dbraw/zinc/18/55/77/503185577.db2.gz KJKGEMWYSAYMIJ-UHFFFAOYSA-N 1 2 362.905 3.327 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000502358886 503185580 /nfs/dbraw/zinc/18/55/80/503185580.db2.gz KJKGEMWYSAYMIJ-UHFFFAOYSA-N 1 2 362.905 3.327 20 30 FGEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507162335 503241016 /nfs/dbraw/zinc/24/10/16/503241016.db2.gz DGYZONYUFCRQQZ-KRWDZBQOSA-N 1 2 374.504 3.150 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602945284 506362459 /nfs/dbraw/zinc/36/24/59/506362459.db2.gz ZKBYKSCWCCTKAB-ZDUSSCGKSA-N 1 2 357.483 3.183 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000602945284 506362467 /nfs/dbraw/zinc/36/24/67/506362467.db2.gz ZKBYKSCWCCTKAB-ZDUSSCGKSA-N 1 2 357.483 3.183 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000502915693 503307550 /nfs/dbraw/zinc/30/75/50/503307550.db2.gz HMEMGKBZHZBHFC-LJQANCHMSA-N 1 2 365.481 3.366 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000502915693 503307553 /nfs/dbraw/zinc/30/75/53/503307553.db2.gz HMEMGKBZHZBHFC-LJQANCHMSA-N 1 2 365.481 3.366 20 30 FGEDLO C=CC[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000511590335 503350246 /nfs/dbraw/zinc/35/02/46/503350246.db2.gz FWZZOXCTMDUZLW-SFHVURJKSA-N 1 2 365.539 3.428 20 30 FGEDLO C=CC[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000511590335 503350247 /nfs/dbraw/zinc/35/02/47/503350247.db2.gz FWZZOXCTMDUZLW-SFHVURJKSA-N 1 2 365.539 3.428 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000511635610 503358839 /nfs/dbraw/zinc/35/88/39/503358839.db2.gz HRGZVUDZYORGNJ-CQSZACIVSA-N 1 2 351.360 3.470 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncc4ccccc43)CC2)cc1 ZINC000515599657 503371605 /nfs/dbraw/zinc/37/16/05/503371605.db2.gz VAIHUBMWLRTCSE-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943875 503517501 /nfs/dbraw/zinc/51/75/01/503517501.db2.gz HZGAGYXJNXUDMB-BXUZGUMPSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943875 503517504 /nfs/dbraw/zinc/51/75/04/503517504.db2.gz HZGAGYXJNXUDMB-BXUZGUMPSA-N 1 2 370.280 3.039 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000512543007 503580131 /nfs/dbraw/zinc/58/01/31/503580131.db2.gz YGZSUNFJNVWHAN-HNNXBMFYSA-N 1 2 358.408 3.005 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000512543007 503580135 /nfs/dbraw/zinc/58/01/35/503580135.db2.gz YGZSUNFJNVWHAN-HNNXBMFYSA-N 1 2 358.408 3.005 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000494684320 503591507 /nfs/dbraw/zinc/59/15/07/503591507.db2.gz DMRRMIVFTKZOCD-SFHVURJKSA-N 1 2 353.422 3.084 20 30 FGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000494684320 503591510 /nfs/dbraw/zinc/59/15/10/503591510.db2.gz DMRRMIVFTKZOCD-SFHVURJKSA-N 1 2 353.422 3.084 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1)OCC ZINC000527259230 503742854 /nfs/dbraw/zinc/74/28/54/503742854.db2.gz JEONUJXHTCTLGF-HNNXBMFYSA-N 1 2 371.403 3.120 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000543510869 503799277 /nfs/dbraw/zinc/79/92/77/503799277.db2.gz PKWYMJIFSFRGQH-RYUDHWBXSA-N 1 2 359.455 3.062 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000543540097 503805344 /nfs/dbraw/zinc/80/53/44/503805344.db2.gz YGVSNXSGIIVOMX-HNNXBMFYSA-N 1 2 371.444 3.182 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)OCC ZINC000533716173 503932272 /nfs/dbraw/zinc/93/22/72/503932272.db2.gz DJUDETVLDZYBDX-TZIWHRDSSA-N 1 2 374.525 3.107 20 30 FGEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000544072486 503996330 /nfs/dbraw/zinc/99/63/30/503996330.db2.gz WACYTZUCDFOBQY-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO Cc1cccc2[nH+]c(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)cn21 ZINC000541076972 503998982 /nfs/dbraw/zinc/99/89/82/503998982.db2.gz XXYHNZIKDIMSSA-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO Cc1c(Cl)cnc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1C#N ZINC000541279415 504071954 /nfs/dbraw/zinc/07/19/54/504071954.db2.gz VCIVSHWUWSWBGD-HNNXBMFYSA-N 1 2 362.886 3.462 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541310263 504083858 /nfs/dbraw/zinc/08/38/58/504083858.db2.gz PWEGYUCLJDOTOZ-HOTGVXAUSA-N 1 2 352.841 3.217 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541310263 504083861 /nfs/dbraw/zinc/08/38/61/504083861.db2.gz PWEGYUCLJDOTOZ-HOTGVXAUSA-N 1 2 352.841 3.217 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1C#N ZINC000534486894 504155401 /nfs/dbraw/zinc/15/54/01/504155401.db2.gz LZOQVOCDBDNKGR-QGZVFWFLSA-N 1 2 354.406 3.119 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1C#N ZINC000534486894 504155407 /nfs/dbraw/zinc/15/54/07/504155407.db2.gz LZOQVOCDBDNKGR-QGZVFWFLSA-N 1 2 354.406 3.119 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000538219426 504167082 /nfs/dbraw/zinc/16/70/82/504167082.db2.gz FPLBBYYXCVBNEL-APWZRJJASA-N 1 2 373.403 3.100 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000538219426 504167087 /nfs/dbraw/zinc/16/70/87/504167087.db2.gz FPLBBYYXCVBNEL-APWZRJJASA-N 1 2 373.403 3.100 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3cc(C#N)cs3)CCCC2)no1 ZINC000531123956 504196384 /nfs/dbraw/zinc/19/63/84/504196384.db2.gz IQPHSMKCDVKQLX-UHFFFAOYSA-N 1 2 359.499 3.404 20 30 FGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)nc1C ZINC000541686053 504220269 /nfs/dbraw/zinc/22/02/69/504220269.db2.gz DXJPHRLAKZVLQT-GFCCVEGCSA-N 1 2 359.451 3.359 20 30 FGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000519587475 504263799 /nfs/dbraw/zinc/26/37/99/504263799.db2.gz KWBLNHFSHVEAOB-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc[nH+]1 ZINC000541832419 504266738 /nfs/dbraw/zinc/26/67/38/504266738.db2.gz IJVXWQMKTRSFMB-UHFFFAOYSA-N 1 2 357.417 3.251 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000531434135 504305076 /nfs/dbraw/zinc/30/50/76/504305076.db2.gz SQPOAXJPVAGPAK-UHFFFAOYSA-N 1 2 360.417 3.143 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1C#N ZINC000535204608 504372442 /nfs/dbraw/zinc/37/24/42/504372442.db2.gz DLKOXRCQCQCNLC-NRFANRHFSA-N 1 2 350.418 3.092 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1C#N ZINC000535204608 504372447 /nfs/dbraw/zinc/37/24/47/504372447.db2.gz DLKOXRCQCQCNLC-NRFANRHFSA-N 1 2 350.418 3.092 20 30 FGEDLO Cc1c(Cl)cnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000542280197 504437960 /nfs/dbraw/zinc/43/79/60/504437960.db2.gz SAEOTSAADUZFIH-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548424384 504441647 /nfs/dbraw/zinc/44/16/47/504441647.db2.gz YXJTUBCKISRBOM-IBGZPJMESA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000548424384 504441652 /nfs/dbraw/zinc/44/16/52/504441652.db2.gz YXJTUBCKISRBOM-IBGZPJMESA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1F ZINC000539248095 504511568 /nfs/dbraw/zinc/51/15/68/504511568.db2.gz KFEZDQBUPVJILR-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1F ZINC000539248095 504511575 /nfs/dbraw/zinc/51/15/75/504511575.db2.gz KFEZDQBUPVJILR-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCC#N)c2cc(F)ccc2F)c1 ZINC000542498382 504514551 /nfs/dbraw/zinc/51/45/51/504514551.db2.gz SGBVHVMWBIMVBU-SFHVURJKSA-N 1 2 364.417 3.351 20 30 FGEDLO Cc1csc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000520603826 504538077 /nfs/dbraw/zinc/53/80/77/504538077.db2.gz CEGVBGSZKPEVFR-QGZVFWFLSA-N 1 2 370.478 3.123 20 30 FGEDLO COc1cc(C#N)ccc1OCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000545695426 504566146 /nfs/dbraw/zinc/56/61/46/504566146.db2.gz HCDOACHHZWSCPC-UHFFFAOYSA-N 1 2 373.372 3.382 20 30 FGEDLO COCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC000529210206 504585773 /nfs/dbraw/zinc/58/57/73/504585773.db2.gz IJZJBFDGZAIHEQ-UHFFFAOYSA-N 1 2 365.437 3.022 20 30 FGEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000532321305 504609141 /nfs/dbraw/zinc/60/91/41/504609141.db2.gz FODFWXABYSCFSJ-ZHTDJMBKSA-N 1 2 363.864 3.500 20 30 FGEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000532321305 504609147 /nfs/dbraw/zinc/60/91/47/504609147.db2.gz FODFWXABYSCFSJ-ZHTDJMBKSA-N 1 2 363.864 3.500 20 30 FGEDLO C=CCn1c(-c2ccccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548938043 504629593 /nfs/dbraw/zinc/62/95/93/504629593.db2.gz ZKRJMDZBKAVDNT-UHFFFAOYSA-N 1 2 360.465 3.161 20 30 FGEDLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000542854782 504636486 /nfs/dbraw/zinc/63/64/86/504636486.db2.gz UROXZOUJOWBLCB-UHFFFAOYSA-N 1 2 361.449 3.288 20 30 FGEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000542854782 504636488 /nfs/dbraw/zinc/63/64/88/504636488.db2.gz UROXZOUJOWBLCB-UHFFFAOYSA-N 1 2 361.449 3.288 20 30 FGEDLO C=CCOc1ccccc1C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000539819359 504701309 /nfs/dbraw/zinc/70/13/09/504701309.db2.gz ALDTYFCGIPGKLR-UHFFFAOYSA-N 1 2 360.461 3.450 20 30 FGEDLO C=CCOc1ccccc1C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000539819359 504701317 /nfs/dbraw/zinc/70/13/17/504701317.db2.gz ALDTYFCGIPGKLR-UHFFFAOYSA-N 1 2 360.461 3.450 20 30 FGEDLO C=CCOc1ccccc1C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000539924215 504739799 /nfs/dbraw/zinc/73/97/99/504739799.db2.gz WFQQNULWLLXTJP-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO C=CCOc1ccccc1C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000539924215 504739805 /nfs/dbraw/zinc/73/98/05/504739805.db2.gz WFQQNULWLLXTJP-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccs1 ZINC000532739035 504748652 /nfs/dbraw/zinc/74/86/52/504748652.db2.gz WKRFSZSRMIRFTI-UHFFFAOYSA-N 1 2 363.508 3.385 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccs1 ZINC000532739035 504748655 /nfs/dbraw/zinc/74/86/55/504748655.db2.gz WKRFSZSRMIRFTI-UHFFFAOYSA-N 1 2 363.508 3.385 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000565046716 504780718 /nfs/dbraw/zinc/78/07/18/504780718.db2.gz MNQDYXWOHOVSCC-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000562492076 504836613 /nfs/dbraw/zinc/83/66/13/504836613.db2.gz YNEWCIKEHOFFRE-GOSISDBHSA-N 1 2 365.481 3.206 20 30 FGEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000562492076 504836615 /nfs/dbraw/zinc/83/66/15/504836615.db2.gz YNEWCIKEHOFFRE-GOSISDBHSA-N 1 2 365.481 3.206 20 30 FGEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000549636837 504864887 /nfs/dbraw/zinc/86/48/87/504864887.db2.gz GEOLWZUULFNAAJ-UHFFFAOYSA-N 1 2 372.517 3.124 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cscc1C#N ZINC000556418344 504868278 /nfs/dbraw/zinc/86/82/78/504868278.db2.gz ODXPAXJQFRZUQN-UHFFFAOYSA-N 1 2 354.479 3.393 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000562609945 504877756 /nfs/dbraw/zinc/87/77/56/504877756.db2.gz JSCXODWSZARFSI-KBXCAEBGSA-N 1 2 365.437 3.014 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562609388 504877902 /nfs/dbraw/zinc/87/79/02/504877902.db2.gz OQRZKUPHLCIDFN-CABZTGNLSA-N 1 2 365.315 3.481 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)c1 ZINC000562642130 504890895 /nfs/dbraw/zinc/89/08/95/504890895.db2.gz LUAXHAOTAIZYQG-VGOFRKELSA-N 1 2 367.493 3.374 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000556636220 504927387 /nfs/dbraw/zinc/92/73/87/504927387.db2.gz CMMMTIBSCYQATF-RDTXWAMCSA-N 1 2 365.437 3.014 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cnn1C ZINC000565755433 504978066 /nfs/dbraw/zinc/97/80/66/504978066.db2.gz ATFUGXDPKPRABC-UHFFFAOYSA-N 1 2 373.888 3.069 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cnn1C ZINC000565755433 504978071 /nfs/dbraw/zinc/97/80/71/504978071.db2.gz ATFUGXDPKPRABC-UHFFFAOYSA-N 1 2 373.888 3.069 20 30 FGEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000566013019 505055421 /nfs/dbraw/zinc/05/54/21/505055421.db2.gz CCUDEOIUBQUJEV-BZNIZROVSA-N 1 2 370.266 3.042 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566145034 505097158 /nfs/dbraw/zinc/09/71/58/505097158.db2.gz DZKGDOAWHNACNT-CLWJZODNSA-N 1 2 373.497 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566145034 505097162 /nfs/dbraw/zinc/09/71/62/505097162.db2.gz DZKGDOAWHNACNT-CLWJZODNSA-N 1 2 373.497 3.008 20 30 FGEDLO N#Cc1cc(Cl)cc(Br)c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000557585987 505175686 /nfs/dbraw/zinc/17/56/86/505175686.db2.gz VIQKFWZSXFERLS-ZDUSSCGKSA-N 1 2 352.663 3.425 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCCOc2ccc(C#N)cc2)c1C(=O)OC ZINC000566528418 505195439 /nfs/dbraw/zinc/19/54/39/505195439.db2.gz SRPWCYPRVRJBGV-UHFFFAOYSA-N 1 2 354.406 3.459 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000551396380 505217143 /nfs/dbraw/zinc/21/71/43/505217143.db2.gz VAIGRAFMQOIPPD-SFHVURJKSA-N 1 2 360.383 3.483 20 30 FGEDLO C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000561113571 505254203 /nfs/dbraw/zinc/25/42/03/505254203.db2.gz LZBDWJXVAIOTLN-SMDDNHRTSA-N 1 2 350.344 3.205 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845612 505279200 /nfs/dbraw/zinc/27/92/00/505279200.db2.gz CKUWKJSQQSXDLF-CABCVRRESA-N 1 2 351.372 3.139 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845612 505279204 /nfs/dbraw/zinc/27/92/04/505279204.db2.gz CKUWKJSQQSXDLF-CABCVRRESA-N 1 2 351.372 3.139 20 30 FGEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000551699475 505285416 /nfs/dbraw/zinc/28/54/16/505285416.db2.gz DFYBELABKICLBE-UHFFFAOYSA-N 1 2 359.289 3.118 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000558086871 505304570 /nfs/dbraw/zinc/30/45/70/505304570.db2.gz BQFRVWCZNMYSNH-UHFFFAOYSA-N 1 2 354.429 3.040 20 30 FGEDLO C=CCc1cc(CNC(=O)Nc2ccn3cc[nH+]c3c2)cc(OC)c1OC ZINC000554998027 505324036 /nfs/dbraw/zinc/32/40/36/505324036.db2.gz GYWZHEYEGGVYNM-UHFFFAOYSA-N 1 2 366.421 3.402 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000558252378 505344952 /nfs/dbraw/zinc/34/49/52/505344952.db2.gz LICOWKVFDUJJJZ-UHFFFAOYSA-N 1 2 373.412 3.471 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000561576125 505381395 /nfs/dbraw/zinc/38/13/95/505381395.db2.gz DGDSDFZGPIHVES-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000561576125 505381397 /nfs/dbraw/zinc/38/13/97/505381397.db2.gz DGDSDFZGPIHVES-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO COc1cc2c(cc1Cl)CN(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000552141707 505413712 /nfs/dbraw/zinc/41/37/12/505413712.db2.gz RYCIVMQCXUXBTB-UHFFFAOYSA-N 1 2 352.825 3.426 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000558628191 505444838 /nfs/dbraw/zinc/44/48/38/505444838.db2.gz RHRXDRZFTJJOTC-UHFFFAOYSA-N 1 2 353.397 3.065 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000558730648 505475845 /nfs/dbraw/zinc/47/58/45/505475845.db2.gz URKZTFLPGKEZQL-UHFFFAOYSA-N 1 2 357.479 3.075 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000558730648 505475848 /nfs/dbraw/zinc/47/58/48/505475848.db2.gz URKZTFLPGKEZQL-UHFFFAOYSA-N 1 2 357.479 3.075 20 30 FGEDLO CC(C)COc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000559056616 505559147 /nfs/dbraw/zinc/55/91/47/505559147.db2.gz UOWMGZMTSDILFL-UHFFFAOYSA-N 1 2 350.466 3.310 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115690 506401805 /nfs/dbraw/zinc/40/18/05/506401805.db2.gz DTYKITMQYKZFDE-MGPLVRAMSA-N 1 2 351.422 3.167 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115690 506401806 /nfs/dbraw/zinc/40/18/06/506401806.db2.gz DTYKITMQYKZFDE-MGPLVRAMSA-N 1 2 351.422 3.167 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599315003 506409727 /nfs/dbraw/zinc/40/97/27/506409727.db2.gz DABIZQQOPPENPJ-INIZCTEOSA-N 1 2 352.438 3.100 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612159690 506465508 /nfs/dbraw/zinc/46/55/08/506465508.db2.gz XYJYAHUJBJPNPU-FPOVZHCZSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612159690 506465516 /nfs/dbraw/zinc/46/55/16/506465516.db2.gz XYJYAHUJBJPNPU-FPOVZHCZSA-N 1 2 355.482 3.374 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195016 506477551 /nfs/dbraw/zinc/47/75/51/506477551.db2.gz BRFCOKWQCHRDQM-MSOLQXFVSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195016 506477556 /nfs/dbraw/zinc/47/75/56/506477556.db2.gz BRFCOKWQCHRDQM-MSOLQXFVSA-N 1 2 373.815 3.232 20 30 FGEDLO COCCOCc1cc(C#N)ccc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000603311290 506482099 /nfs/dbraw/zinc/48/20/99/506482099.db2.gz LQFZCWXCCANOMG-JXFKEZNVSA-N 1 2 354.454 3.005 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000596695778 506544151 /nfs/dbraw/zinc/54/41/51/506544151.db2.gz BNJLDQQRSBXIRZ-KSZLIROESA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000596695778 506544157 /nfs/dbraw/zinc/54/41/57/506544157.db2.gz BNJLDQQRSBXIRZ-KSZLIROESA-N 1 2 370.497 3.453 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)c1c(F)cccc1F ZINC000593346733 506561158 /nfs/dbraw/zinc/56/11/58/506561158.db2.gz CGOSUGXYGYTYRP-GOSISDBHSA-N 1 2 370.403 3.165 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000596736287 506570246 /nfs/dbraw/zinc/57/02/46/506570246.db2.gz OXPJLXNIAMAQJU-MRXNPFEDSA-N 1 2 353.426 3.120 20 30 FGEDLO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1[nH+]ccn1C ZINC000596894945 506661720 /nfs/dbraw/zinc/66/17/20/506661720.db2.gz SGWGSWMQPMODSA-SECBINFHSA-N 1 2 353.304 3.073 20 30 FGEDLO CCCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000589990983 506696875 /nfs/dbraw/zinc/69/68/75/506696875.db2.gz XPIYVRQUEVIVLN-SFHVURJKSA-N 1 2 356.445 3.457 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276972 506771241 /nfs/dbraw/zinc/77/12/41/506771241.db2.gz ZRTLUFGREAMOQX-LOWVWBTDSA-N 1 2 373.341 3.104 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276972 506771251 /nfs/dbraw/zinc/77/12/51/506771251.db2.gz ZRTLUFGREAMOQX-LOWVWBTDSA-N 1 2 373.341 3.104 20 30 FGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000612853747 506782539 /nfs/dbraw/zinc/78/25/39/506782539.db2.gz YONLZBCFOCTLII-NRFANRHFSA-N 1 2 363.461 3.351 20 30 FGEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000612853747 506782542 /nfs/dbraw/zinc/78/25/42/506782542.db2.gz YONLZBCFOCTLII-NRFANRHFSA-N 1 2 363.461 3.351 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc2ccccc21 ZINC000609161275 506799628 /nfs/dbraw/zinc/79/96/28/506799628.db2.gz DTTDCQNFMNUOKJ-UHFFFAOYSA-N 1 2 369.428 3.340 20 30 FGEDLO N#Cc1ccc(NCc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000612898957 506805861 /nfs/dbraw/zinc/80/58/61/506805861.db2.gz QNBQMJONJARBHH-UHFFFAOYSA-N 1 2 356.389 3.465 20 30 FGEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000609296387 506839990 /nfs/dbraw/zinc/83/99/90/506839990.db2.gz MPCQLASGLUVIMC-QFIPXVFZSA-N 1 2 374.488 3.381 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000609416925 506877445 /nfs/dbraw/zinc/87/74/45/506877445.db2.gz IDHYQLPZJWLHPM-CRAIPNDOSA-N 1 2 374.916 3.029 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cocn2)cc1OC ZINC000594061238 506914943 /nfs/dbraw/zinc/91/49/43/506914943.db2.gz KQLVLJQZRQDHTF-UHFFFAOYSA-N 1 2 353.216 3.300 20 30 FGEDLO CC(C)CCN(CCC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793165 507003872 /nfs/dbraw/zinc/00/38/72/507003872.db2.gz SDPYGKFGDSDMHG-SFHVURJKSA-N 1 2 374.504 3.125 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000594248720 507041633 /nfs/dbraw/zinc/04/16/33/507041633.db2.gz NAGZZEYSAOZZOQ-INIZCTEOSA-N 1 2 350.466 3.294 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000594293198 507066560 /nfs/dbraw/zinc/06/65/60/507066560.db2.gz GPTSZBQHMGDLNO-ROUUACIJSA-N 1 2 362.477 3.037 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000594293380 507067933 /nfs/dbraw/zinc/06/79/33/507067933.db2.gz SJWBIZGDVHEAHB-IFXJQAMLSA-N 1 2 371.431 3.434 20 30 FGEDLO C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc(C#N)c1 ZINC000594303718 507070680 /nfs/dbraw/zinc/07/06/80/507070680.db2.gz HKOCFLBNWPVZGE-BXUZGUMPSA-N 1 2 350.344 3.205 20 30 FGEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000591019786 507080594 /nfs/dbraw/zinc/08/05/94/507080594.db2.gz COWWOJDVTHOHHP-HXUWFJFHSA-N 1 2 352.434 3.235 20 30 FGEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000591019786 507080600 /nfs/dbraw/zinc/08/06/00/507080600.db2.gz COWWOJDVTHOHHP-HXUWFJFHSA-N 1 2 352.434 3.235 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3ccncn3)CC2)c1C#N ZINC000591040641 507089798 /nfs/dbraw/zinc/08/97/98/507089798.db2.gz JSEXVSFTIDRMQM-UHFFFAOYSA-N 1 2 358.449 3.222 20 30 FGEDLO N#CC1(C[C@H](O)C[NH2+]CC(F)(F)c2ccc(Br)cc2)CC1 ZINC000600746986 507096707 /nfs/dbraw/zinc/09/67/07/507096707.db2.gz VJEIJDCSFPQHNO-ZDUSSCGKSA-N 1 2 359.214 3.185 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC000591065152 507096841 /nfs/dbraw/zinc/09/68/41/507096841.db2.gz KRXYNCJGNDILKM-PWRODBHTSA-N 1 2 370.456 3.495 20 30 FGEDLO C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc(C#N)c1 ZINC000610348705 507206161 /nfs/dbraw/zinc/20/61/61/507206161.db2.gz WHIWWZPIECBCHU-GFCCVEGCSA-N 1 2 353.813 3.420 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000591406488 507237446 /nfs/dbraw/zinc/23/74/46/507237446.db2.gz JKTMRAIBHDAGGL-ROUUACIJSA-N 1 2 363.465 3.462 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)NCC3(C#N)CC3)cn2c1 ZINC000584329373 507282770 /nfs/dbraw/zinc/28/27/70/507282770.db2.gz MVPSNCOYIRRWDE-UHFFFAOYSA-N 1 2 360.417 3.255 20 30 FGEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(Cl)cc1 ZINC000584505469 507381969 /nfs/dbraw/zinc/38/19/69/507381969.db2.gz QAMCMCLVZZVDTG-GOSISDBHSA-N 1 2 358.825 3.476 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)c1 ZINC000595290931 507448012 /nfs/dbraw/zinc/44/80/12/507448012.db2.gz NXQLQUBCCFHEPE-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000610987024 507468955 /nfs/dbraw/zinc/46/89/55/507468955.db2.gz OJURXOBMJOVFGF-HNNXBMFYSA-N 1 2 359.389 3.143 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146565 507510291 /nfs/dbraw/zinc/51/02/91/507510291.db2.gz JKWSLAYSURCHRL-IFMALSPDSA-N 1 2 363.461 3.334 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146565 507510300 /nfs/dbraw/zinc/51/03/00/507510300.db2.gz JKWSLAYSURCHRL-IFMALSPDSA-N 1 2 363.461 3.334 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)sc2c1CCCCC2 ZINC000611179678 507548647 /nfs/dbraw/zinc/54/86/47/507548647.db2.gz HKGHUHMZNOLRMK-LLVKDONJSA-N 1 2 353.438 3.414 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)sc2c1CCCCC2 ZINC000611179678 507548653 /nfs/dbraw/zinc/54/86/53/507548653.db2.gz HKGHUHMZNOLRMK-LLVKDONJSA-N 1 2 353.438 3.414 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000602016780 507555130 /nfs/dbraw/zinc/55/51/30/507555130.db2.gz LDVDBIYSOAFRKY-UHFFFAOYSA-N 1 2 359.832 3.477 20 30 FGEDLO N#Cc1ccc(CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C2CC2)cc1 ZINC000602050924 507571190 /nfs/dbraw/zinc/57/11/90/507571190.db2.gz FHWPXOACGFVWGC-MRXNPFEDSA-N 1 2 362.355 3.439 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000595620770 507595357 /nfs/dbraw/zinc/59/53/57/507595357.db2.gz QHTYQWLZKNVGDG-HNNXBMFYSA-N 1 2 354.479 3.450 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000595620770 507595364 /nfs/dbraw/zinc/59/53/64/507595364.db2.gz QHTYQWLZKNVGDG-HNNXBMFYSA-N 1 2 354.479 3.450 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595627612 507600381 /nfs/dbraw/zinc/60/03/81/507600381.db2.gz RNIVMBLCNKAMKP-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595627612 507600385 /nfs/dbraw/zinc/60/03/85/507600385.db2.gz RNIVMBLCNKAMKP-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1)c1ccccc1 ZINC000595634037 507603591 /nfs/dbraw/zinc/60/35/91/507603591.db2.gz URXBFZQKDXAPMG-INIZCTEOSA-N 1 2 368.506 3.183 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC(Nc4ccccc4C#N)CC3)[nH+]c12 ZINC000602185742 507621579 /nfs/dbraw/zinc/62/15/79/507621579.db2.gz JXFBAOWSDDXGNF-UHFFFAOYSA-N 1 2 373.460 3.160 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)CCOCC1 ZINC000595758518 507670718 /nfs/dbraw/zinc/67/07/18/507670718.db2.gz BALSEXILTUKALN-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)CCOCC1 ZINC000595758518 507670720 /nfs/dbraw/zinc/67/07/20/507670720.db2.gz BALSEXILTUKALN-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000592523072 507693055 /nfs/dbraw/zinc/69/30/55/507693055.db2.gz IYFXKNASKKQATF-VLIAUNLRSA-N 1 2 350.397 3.307 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC2)nc1 ZINC000602438842 507711562 /nfs/dbraw/zinc/71/15/62/507711562.db2.gz CDGHSOONLNNFSF-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2)C3)c[nH]1 ZINC000611511347 507714158 /nfs/dbraw/zinc/71/41/58/507714158.db2.gz GYNVSDMVKSJHOP-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)CC[N@@H+](Cc2ccccc2)C3)c[nH]1 ZINC000611511347 507714163 /nfs/dbraw/zinc/71/41/63/507714163.db2.gz GYNVSDMVKSJHOP-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000595876369 507723745 /nfs/dbraw/zinc/72/37/45/507723745.db2.gz BIXJWRRYULQZLA-FQEVSTJZSA-N 1 2 359.429 3.025 20 30 FGEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611552483 507736265 /nfs/dbraw/zinc/73/62/65/507736265.db2.gz ZIRIJSDNXISXSU-OAQYLSRUSA-N 1 2 366.440 3.167 20 30 FGEDLO C=CCCCSCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000522756940 568051399 /nfs/dbraw/zinc/05/13/99/568051399.db2.gz NLGBYZNWFPBQKA-UHFFFAOYSA-N 1 2 362.543 3.256 20 30 FGEDLO CC[N@H+](CCC#N)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825420041 608514616 /nfs/dbraw/zinc/51/46/16/608514616.db2.gz YWHGFXOZWSKOIM-UHFFFAOYSA-N 1 2 362.437 3.181 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825420041 608514618 /nfs/dbraw/zinc/51/46/18/608514618.db2.gz YWHGFXOZWSKOIM-UHFFFAOYSA-N 1 2 362.437 3.181 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824034330 608596347 /nfs/dbraw/zinc/59/63/47/608596347.db2.gz IOLXESORIXVNLJ-OAHLLOKOSA-N 1 2 362.437 3.037 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824034330 608596348 /nfs/dbraw/zinc/59/63/48/608596348.db2.gz IOLXESORIXVNLJ-OAHLLOKOSA-N 1 2 362.437 3.037 20 30 FGEDLO C=CC[N@@H+](Cc1nc2ccccc2n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914113 608631283 /nfs/dbraw/zinc/63/12/83/608631283.db2.gz AKZOYCJEEZKDGB-UHFFFAOYSA-N 1 2 373.464 3.425 20 30 FGEDLO C=CC[N@H+](Cc1nc2ccccc2n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914113 608631284 /nfs/dbraw/zinc/63/12/84/608631284.db2.gz AKZOYCJEEZKDGB-UHFFFAOYSA-N 1 2 373.464 3.425 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000097571173 700463231 /nfs/dbraw/zinc/46/32/31/700463231.db2.gz YPMWXCRUFOWXRM-JTQLQIEISA-N 1 2 367.783 3.477 20 30 FGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cs1 ZINC000101907173 700472049 /nfs/dbraw/zinc/47/20/49/700472049.db2.gz RQPQIZDSYNQAGS-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)s1 ZINC000374286659 713910486 /nfs/dbraw/zinc/91/04/86/713910486.db2.gz YYAOGXQWMQNDEK-UHFFFAOYSA-N 1 2 360.571 3.248 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374806533 713945002 /nfs/dbraw/zinc/94/50/02/713945002.db2.gz MPKSWXDBQDZRQK-SFHVURJKSA-N 1 2 355.825 3.089 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374806533 713945003 /nfs/dbraw/zinc/94/50/03/713945003.db2.gz MPKSWXDBQDZRQK-SFHVURJKSA-N 1 2 355.825 3.089 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[C@@H](C)COC ZINC000664319161 720624304 /nfs/dbraw/zinc/62/43/04/720624304.db2.gz FODRPHPJXYDCQS-GJZGRUSLSA-N 1 2 366.531 3.430 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[C@@H](C)COC ZINC000664319161 720624306 /nfs/dbraw/zinc/62/43/06/720624306.db2.gz FODRPHPJXYDCQS-GJZGRUSLSA-N 1 2 366.531 3.430 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784011416 724812221 /nfs/dbraw/zinc/81/22/21/724812221.db2.gz AJIWTEYPZVYQTB-OAHLLOKOSA-N 1 2 356.499 3.303 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784011416 724812226 /nfs/dbraw/zinc/81/22/26/724812226.db2.gz AJIWTEYPZVYQTB-OAHLLOKOSA-N 1 2 356.499 3.303 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784035309 724814787 /nfs/dbraw/zinc/81/47/87/724814787.db2.gz PSPQGBHLRIYSMN-CQSZACIVSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784035309 724814790 /nfs/dbraw/zinc/81/47/90/724814790.db2.gz PSPQGBHLRIYSMN-CQSZACIVSA-N 1 2 358.515 3.383 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[N@@H+](C)C[C@H]3C)cc2)cc1 ZINC000752157822 722846503 /nfs/dbraw/zinc/84/65/03/722846503.db2.gz DHXYTQXUYBGPJZ-OAHLLOKOSA-N 1 2 357.479 3.177 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[N@H+](C)C[C@H]3C)cc2)cc1 ZINC000752157822 722846505 /nfs/dbraw/zinc/84/65/05/722846505.db2.gz DHXYTQXUYBGPJZ-OAHLLOKOSA-N 1 2 357.479 3.177 20 30 FGEDLO COc1cccc(-c2nc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cs2)c1 ZINC000753937528 722919087 /nfs/dbraw/zinc/91/90/87/722919087.db2.gz XWARZXZIQPRHLY-HOTGVXAUSA-N 1 2 355.467 3.013 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000791052296 723208410 /nfs/dbraw/zinc/20/84/10/723208410.db2.gz ZJNGJMUZZORKDW-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000763320469 723333676 /nfs/dbraw/zinc/33/36/76/723333676.db2.gz WAKIFIKGCSXZPB-UHFFFAOYSA-N 1 2 367.540 3.027 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000763320469 723333678 /nfs/dbraw/zinc/33/36/78/723333678.db2.gz WAKIFIKGCSXZPB-UHFFFAOYSA-N 1 2 367.540 3.027 20 30 FGEDLO C#CC[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000763956127 723381562 /nfs/dbraw/zinc/38/15/62/723381562.db2.gz VJUHSIUMZSLJBC-UHFFFAOYSA-N 1 2 350.384 3.294 20 30 FGEDLO C#CC[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000763956127 723381567 /nfs/dbraw/zinc/38/15/67/723381567.db2.gz VJUHSIUMZSLJBC-UHFFFAOYSA-N 1 2 350.384 3.294 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1=S ZINC000794638763 723537217 /nfs/dbraw/zinc/53/72/17/723537217.db2.gz GQZXKDYDWIFCQR-AWEZNQCLSA-N 1 2 359.474 3.383 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1=S ZINC000794638763 723537219 /nfs/dbraw/zinc/53/72/19/723537219.db2.gz GQZXKDYDWIFCQR-AWEZNQCLSA-N 1 2 359.474 3.383 20 30 FGEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796554456 723643415 /nfs/dbraw/zinc/64/34/15/723643415.db2.gz OWQVGGSSBPWTAQ-MRXNPFEDSA-N 1 2 365.861 3.295 20 30 FGEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796554456 723643416 /nfs/dbraw/zinc/64/34/16/723643416.db2.gz OWQVGGSSBPWTAQ-MRXNPFEDSA-N 1 2 365.861 3.295 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3occc3Br)CC2)cc1 ZINC000768186937 723649623 /nfs/dbraw/zinc/64/96/23/723649623.db2.gz YICAYQMROKJUQY-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO C=C(Br)C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769944127 723701603 /nfs/dbraw/zinc/70/16/03/723701603.db2.gz VJARYFMKJLKAHD-UHFFFAOYSA-N 1 2 356.260 3.022 20 30 FGEDLO C=C(Br)C[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000769944127 723701605 /nfs/dbraw/zinc/70/16/05/723701605.db2.gz VJARYFMKJLKAHD-UHFFFAOYSA-N 1 2 356.260 3.022 20 30 FGEDLO N#Cc1cccn(C[NH+]2CCC(c3cccc(Br)c3)CC2)c1=O ZINC000799165523 723993827 /nfs/dbraw/zinc/99/38/27/723993827.db2.gz HVVZBODQAZAZQF-UHFFFAOYSA-N 1 2 372.266 3.320 20 30 FGEDLO O[C@H](C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799298018 724003640 /nfs/dbraw/zinc/00/36/40/724003640.db2.gz SKCMOISMQNJJGZ-VDDIYKPWSA-N 1 2 360.273 3.317 20 30 FGEDLO O[C@H](C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799298018 724003643 /nfs/dbraw/zinc/00/36/43/724003643.db2.gz SKCMOISMQNJJGZ-VDDIYKPWSA-N 1 2 360.273 3.317 20 30 FGEDLO C[C@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000776261910 724125465 /nfs/dbraw/zinc/12/54/65/724125465.db2.gz SZFRNZQMZYZEMN-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000776261910 724125468 /nfs/dbraw/zinc/12/54/68/724125468.db2.gz SZFRNZQMZYZEMN-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]OC[C@@H]3CCOC3)nc2N(C)C)cc1 ZINC000788038540 725042176 /nfs/dbraw/zinc/04/21/76/725042176.db2.gz IOTPDDQVHXZOJF-CQSZACIVSA-N 1 2 362.861 3.287 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156994 725154735 /nfs/dbraw/zinc/15/47/35/725154735.db2.gz NLGNVYHYORPDBW-ROUUACIJSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156994 725154736 /nfs/dbraw/zinc/15/47/36/725154736.db2.gz NLGNVYHYORPDBW-ROUUACIJSA-N 1 2 357.816 3.031 20 30 FGEDLO COCCN(C)c1ccc(C=[NH+]Nc2cc(Cl)nc(Cl)c2)cn1 ZINC000819829041 728947347 /nfs/dbraw/zinc/94/73/47/728947347.db2.gz ZLKBGSQMUYJSQC-UHFFFAOYSA-N 1 2 354.241 3.312 20 30 FGEDLO C[N@H+](CC(F)F)C1CCN(c2cccc(Br)c2C#N)CC1 ZINC000811811852 725381204 /nfs/dbraw/zinc/38/12/04/725381204.db2.gz LZQPWUOMXCKXCQ-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO C[N@@H+](CC(F)F)C1CCN(c2cccc(Br)c2C#N)CC1 ZINC000811811852 725381205 /nfs/dbraw/zinc/38/12/05/725381205.db2.gz LZQPWUOMXCKXCQ-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cscc3C#N)CC2)cc1 ZINC000814411155 726963989 /nfs/dbraw/zinc/96/39/89/726963989.db2.gz MOUANMQNQFVRNO-UHFFFAOYSA-N 1 2 354.479 3.085 20 30 FGEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814905791 727010014 /nfs/dbraw/zinc/01/00/14/727010014.db2.gz SGTVWEFYJOYIAE-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000815127619 727042340 /nfs/dbraw/zinc/04/23/40/727042340.db2.gz XDJYQEYEAZCNNX-UHFFFAOYSA-N 1 2 359.832 3.477 20 30 FGEDLO Cc1cc(O)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Cl ZINC000825510232 729386047 /nfs/dbraw/zinc/38/60/47/729386047.db2.gz XVHSBHRUJIBCGE-HIFRSBDPSA-N 1 2 365.861 3.203 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C#Cc1cccs1 ZINC000826657632 729411785 /nfs/dbraw/zinc/41/17/85/729411785.db2.gz JKZGIWYKTNRILP-UHFFFAOYSA-N 1 2 353.491 3.260 20 30 FGEDLO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cnc(CCc2ccccc2)s1 ZINC000834967243 729848432 /nfs/dbraw/zinc/84/84/32/729848432.db2.gz ZJKHCMYJCFKTPS-IRXDYDNUSA-N 1 2 353.495 3.122 20 30 FGEDLO CCOC(=O)C(C)(C)O[NH+]=C(C)c1ccc(N2CCOCC2)cc1Cl ZINC000835005047 729849303 /nfs/dbraw/zinc/84/93/03/729849303.db2.gz LOXBVDGVLHRHPC-UHFFFAOYSA-N 1 2 368.861 3.259 20 30 FGEDLO CC1(C#N)CC[NH+](CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844701404 730754029 /nfs/dbraw/zinc/75/40/29/730754029.db2.gz USWJVXDTUXRNCC-UHFFFAOYSA-N 1 2 374.282 3.258 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000847029664 731009193 /nfs/dbraw/zinc/00/91/93/731009193.db2.gz KWRKYGBXNLTUMP-AWEZNQCLSA-N 1 2 355.463 3.102 20 30 FGEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000847029664 731009196 /nfs/dbraw/zinc/00/91/96/731009196.db2.gz KWRKYGBXNLTUMP-AWEZNQCLSA-N 1 2 355.463 3.102 20 30 FGEDLO C[C@H](OCc1ccccc1)C(=NNCCCn1cc[nH+]c1)C(F)(F)F ZINC000848416960 731161996 /nfs/dbraw/zinc/16/19/96/731161996.db2.gz FVDFDGINLBKJCQ-AWEZNQCLSA-N 1 2 354.376 3.386 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000852343500 731572972 /nfs/dbraw/zinc/57/29/72/731572972.db2.gz YBZDAJVJTPHBPD-MRXNPFEDSA-N 1 2 365.861 3.268 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000884111374 737634469 /nfs/dbraw/zinc/63/44/69/737634469.db2.gz ITHYHEZMZFPJGD-HIFRSBDPSA-N 1 2 350.484 3.271 20 30 FGEDLO C[NH+](C)Cc1csc(CNc2c(Br)cccc2C#N)n1 ZINC000895479943 742417127 /nfs/dbraw/zinc/41/71/27/742417127.db2.gz YDHGBDNRMBSXFJ-UHFFFAOYSA-N 1 2 351.273 3.451 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000896653826 742577688 /nfs/dbraw/zinc/57/76/88/742577688.db2.gz HHYIVGNOVMKZMD-INIZCTEOSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000896653826 742577689 /nfs/dbraw/zinc/57/76/89/742577689.db2.gz HHYIVGNOVMKZMD-INIZCTEOSA-N 1 2 372.270 3.187 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)C1 ZINC000897599400 742694332 /nfs/dbraw/zinc/69/43/32/742694332.db2.gz JOPOXIJEGGIJPG-UHFFFAOYSA-N 1 2 370.218 3.132 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000941086987 762174301 /nfs/dbraw/zinc/17/43/01/762174301.db2.gz AZACAQOMTUAUOD-ZNMIVQPWSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000941086987 762174304 /nfs/dbraw/zinc/17/43/04/762174304.db2.gz AZACAQOMTUAUOD-ZNMIVQPWSA-N 1 2 355.320 3.158 20 30 FGEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCc4c(Cl)ccnc43)CC2)cn1 ZINC000926822782 759827662 /nfs/dbraw/zinc/82/76/62/759827662.db2.gz LEUDXRDSZDDEKY-SFHVURJKSA-N 1 2 353.857 3.201 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920530 761008907 /nfs/dbraw/zinc/00/89/07/761008907.db2.gz YHCYRQAVEIWNMV-BXUZGUMPSA-N 1 2 373.375 3.091 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920530 761008919 /nfs/dbraw/zinc/00/89/19/761008919.db2.gz YHCYRQAVEIWNMV-BXUZGUMPSA-N 1 2 373.375 3.091 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000932230391 761098684 /nfs/dbraw/zinc/09/86/84/761098684.db2.gz NCDORLVEFTYJFD-ZDUSSCGKSA-N 1 2 352.360 3.387 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934788434 761719584 /nfs/dbraw/zinc/71/95/84/761719584.db2.gz LVYHVKVKWAHBQO-DAXOMENPSA-N 1 2 372.412 3.061 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934788434 761719590 /nfs/dbraw/zinc/71/95/90/761719590.db2.gz LVYHVKVKWAHBQO-DAXOMENPSA-N 1 2 372.412 3.061 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000970446372 762874634 /nfs/dbraw/zinc/87/46/34/762874634.db2.gz DKQZMSFQUBCPOU-NJAPINKUSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001000985262 765253223 /nfs/dbraw/zinc/25/32/23/765253223.db2.gz NAUPZUMYHUGNMH-YESZJQIVSA-N 1 2 367.331 3.470 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001000985262 765253229 /nfs/dbraw/zinc/25/32/29/765253229.db2.gz NAUPZUMYHUGNMH-YESZJQIVSA-N 1 2 367.331 3.470 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001014468754 765783416 /nfs/dbraw/zinc/78/34/16/765783416.db2.gz KATUFYNGQYNJAG-YUELXQCFSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001014468754 765783419 /nfs/dbraw/zinc/78/34/19/765783419.db2.gz KATUFYNGQYNJAG-YUELXQCFSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001024443649 766053437 /nfs/dbraw/zinc/05/34/37/766053437.db2.gz OCQDRWOGFCLZRH-ZNMIVQPWSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001024443649 766053444 /nfs/dbraw/zinc/05/34/44/766053444.db2.gz OCQDRWOGFCLZRH-ZNMIVQPWSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001024706545 766063665 /nfs/dbraw/zinc/06/36/65/766063665.db2.gz BPNCIWPIRICPKY-GUDVDZBRSA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001024706545 766063673 /nfs/dbraw/zinc/06/36/73/766063673.db2.gz BPNCIWPIRICPKY-GUDVDZBRSA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001028044142 766111036 /nfs/dbraw/zinc/11/10/36/766111036.db2.gz FRRNBOSPYXHHJV-GBESFXJTSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001028044142 766111041 /nfs/dbraw/zinc/11/10/41/766111041.db2.gz FRRNBOSPYXHHJV-GBESFXJTSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cccc(Cl)c2F)C1 ZINC001031986692 766188794 /nfs/dbraw/zinc/18/87/94/766188794.db2.gz CBKFYCMLXWLCHR-MJEQTWJJSA-N 1 2 366.864 3.179 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001034441554 766242437 /nfs/dbraw/zinc/24/24/37/766242437.db2.gz HIQPPRLMLAKCFD-IPMKNSEASA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001034441554 766242439 /nfs/dbraw/zinc/24/24/39/766242439.db2.gz HIQPPRLMLAKCFD-IPMKNSEASA-N 1 2 362.901 3.282 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc2n1C ZINC000540949060 503950678 /nfs/dbraw/zinc/95/06/78/503950678.db2.gz AKLWUZJAWLWASY-IBGZPJMESA-N 1 2 356.426 3.082 20 30 FGEDLO COc1ccc([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2[nH+]ccn2C)cc1 ZINC000573616297 505579224 /nfs/dbraw/zinc/57/92/24/505579224.db2.gz RUCBTVITZAZYKK-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995434 505592776 /nfs/dbraw/zinc/59/27/76/505592776.db2.gz KGACHVRHSXXGOH-QGZVFWFLSA-N 1 2 362.886 3.346 20 30 FGEDLO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000570869369 505599449 /nfs/dbraw/zinc/59/94/49/505599449.db2.gz UJQWEEWTFMMSDL-JOCHJYFZSA-N 1 2 374.488 3.370 20 30 FGEDLO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000570869369 505599454 /nfs/dbraw/zinc/59/94/54/505599454.db2.gz UJQWEEWTFMMSDL-JOCHJYFZSA-N 1 2 374.488 3.370 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000573838705 505632606 /nfs/dbraw/zinc/63/26/06/505632606.db2.gz AUEYPDMNEXWIPC-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO N#Cc1cc2c(nc1N[C@@H]1CCC[C@H](c3[nH]c4ccccc4[nH+]3)C1)CCOC2 ZINC000577058298 505654339 /nfs/dbraw/zinc/65/43/39/505654339.db2.gz GVQJLDDZISLZCN-WMLDXEAASA-N 1 2 373.460 3.462 20 30 FGEDLO N#Cc1cc2c(nc1N[C@H]1CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C1)CCOC2 ZINC000577058296 505654410 /nfs/dbraw/zinc/65/44/10/505654410.db2.gz GVQJLDDZISLZCN-PBHICJAKSA-N 1 2 373.460 3.462 20 30 FGEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000075887601 493791190 /nfs/dbraw/zinc/79/11/90/493791190.db2.gz CCZPQJPEJLYRCZ-INIZCTEOSA-N 1 2 370.522 3.430 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148237 493832258 /nfs/dbraw/zinc/83/22/58/493832258.db2.gz AJBGIEMNZAOJJW-LPHOPBHVSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148237 493832262 /nfs/dbraw/zinc/83/22/62/493832262.db2.gz AJBGIEMNZAOJJW-LPHOPBHVSA-N 1 2 352.434 3.408 20 30 FGEDLO C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(C#N)cc1 ZINC000048486479 493832746 /nfs/dbraw/zinc/83/27/46/493832746.db2.gz JRYJDCYXNUXCDE-GFCCVEGCSA-N 1 2 353.813 3.420 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000029445348 493839653 /nfs/dbraw/zinc/83/96/53/493839653.db2.gz VTRGZUWXJNUZHL-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cc1 ZINC000058372277 493847615 /nfs/dbraw/zinc/84/76/15/493847615.db2.gz AZEHLHUKYHQTPN-KRWDZBQOSA-N 1 2 363.527 3.200 20 30 FGEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820506 493859939 /nfs/dbraw/zinc/85/99/39/493859939.db2.gz QUWGCYMKEFMEEX-HNNXBMFYSA-N 1 2 370.280 3.089 20 30 FGEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820506 493859942 /nfs/dbraw/zinc/85/99/42/493859942.db2.gz QUWGCYMKEFMEEX-HNNXBMFYSA-N 1 2 370.280 3.089 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069067659 493914567 /nfs/dbraw/zinc/91/45/67/493914567.db2.gz LCSIATOEARTEHB-INIZCTEOSA-N 1 2 372.469 3.238 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069067659 493914572 /nfs/dbraw/zinc/91/45/72/493914572.db2.gz LCSIATOEARTEHB-INIZCTEOSA-N 1 2 372.469 3.238 20 30 FGEDLO N#Cc1ccsc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000081931661 493967961 /nfs/dbraw/zinc/96/79/61/493967961.db2.gz SDWPKDHAUVDRIU-UHFFFAOYSA-N 1 2 350.447 3.379 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428143 493969580 /nfs/dbraw/zinc/96/95/80/493969580.db2.gz KBRWFUCXSKVIDC-GOEBONIOSA-N 1 2 356.495 3.441 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428143 493969582 /nfs/dbraw/zinc/96/95/82/493969582.db2.gz KBRWFUCXSKVIDC-GOEBONIOSA-N 1 2 356.495 3.441 20 30 FGEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000076941221 493993624 /nfs/dbraw/zinc/99/36/24/493993624.db2.gz VITVOWQCWCULFM-FCHUYYIVSA-N 1 2 359.473 3.315 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(N)cc(C)[nH+]2)c1 ZINC000007048553 493995686 /nfs/dbraw/zinc/99/56/86/493995686.db2.gz ALWRQVIEYYEDNU-UHFFFAOYSA-N 1 2 355.467 3.023 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000052038214 494001066 /nfs/dbraw/zinc/00/10/66/494001066.db2.gz YNDLMFRWOMKIQC-AUUYWEPGSA-N 1 2 363.864 3.294 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000052038214 494001068 /nfs/dbraw/zinc/00/10/68/494001068.db2.gz YNDLMFRWOMKIQC-AUUYWEPGSA-N 1 2 363.864 3.294 20 30 FGEDLO COc1ccccc1C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000052183144 494009394 /nfs/dbraw/zinc/00/93/94/494009394.db2.gz MHKSAPKURPVVHO-UHFFFAOYSA-N 1 2 355.482 3.344 20 30 FGEDLO COc1ccccc1C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000052183144 494009398 /nfs/dbraw/zinc/00/93/98/494009398.db2.gz MHKSAPKURPVVHO-UHFFFAOYSA-N 1 2 355.482 3.344 20 30 FGEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000077187562 494028992 /nfs/dbraw/zinc/02/89/92/494028992.db2.gz VYMMBWJFTNIYLQ-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)cc1 ZINC000052508493 494032733 /nfs/dbraw/zinc/03/27/33/494032733.db2.gz HJFKJWJGKRHCSH-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000007719599 494038299 /nfs/dbraw/zinc/03/82/99/494038299.db2.gz BBRNROPGVLEDDK-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000007719599 494038303 /nfs/dbraw/zinc/03/83/03/494038303.db2.gz BBRNROPGVLEDDK-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO N#Cc1ccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000574127107 505699119 /nfs/dbraw/zinc/69/91/19/505699119.db2.gz LHNFKQHGYFIWAA-KRWDZBQOSA-N 1 2 367.415 3.264 20 30 FGEDLO COC(=O)C[N@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000064639310 494140454 /nfs/dbraw/zinc/14/04/54/494140454.db2.gz JTTIUOFOAIQQFI-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO COC(=O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000064639310 494140460 /nfs/dbraw/zinc/14/04/60/494140460.db2.gz JTTIUOFOAIQQFI-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000054180967 494203873 /nfs/dbraw/zinc/20/38/73/494203873.db2.gz ROMHZPCOFUCHPX-QMMMGPOBSA-N 1 2 362.065 3.469 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)cs1 ZINC000042253652 494212803 /nfs/dbraw/zinc/21/28/03/494212803.db2.gz PTMWUTZQAZSBOU-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)cs1 ZINC000042253652 494212808 /nfs/dbraw/zinc/21/28/08/494212808.db2.gz PTMWUTZQAZSBOU-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO COc1ccc(Cl)cc1CNC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072691039 494234349 /nfs/dbraw/zinc/23/43/49/494234349.db2.gz DQHQXGHNJKWUEU-UHFFFAOYSA-N 1 2 351.878 3.227 20 30 FGEDLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072691039 494234352 /nfs/dbraw/zinc/23/43/52/494234352.db2.gz DQHQXGHNJKWUEU-UHFFFAOYSA-N 1 2 351.878 3.227 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000072701881 494236062 /nfs/dbraw/zinc/23/60/62/494236062.db2.gz HOFLQFJNXVCIEB-UHFFFAOYSA-N 1 2 373.497 3.224 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000072701881 494236067 /nfs/dbraw/zinc/23/60/67/494236067.db2.gz HOFLQFJNXVCIEB-UHFFFAOYSA-N 1 2 373.497 3.224 20 30 FGEDLO N#CCc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000078248118 494261669 /nfs/dbraw/zinc/26/16/69/494261669.db2.gz ZNYVJBBUSOFFER-UHFFFAOYSA-N 1 2 359.433 3.362 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878765 494274654 /nfs/dbraw/zinc/27/46/54/494274654.db2.gz LTAWMCVYUYNGMO-MRXNPFEDSA-N 1 2 359.433 3.203 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878765 494274658 /nfs/dbraw/zinc/27/46/58/494274658.db2.gz LTAWMCVYUYNGMO-MRXNPFEDSA-N 1 2 359.433 3.203 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000078321032 494278364 /nfs/dbraw/zinc/27/83/64/494278364.db2.gz ZKLOJIPECHWCEQ-IBGZPJMESA-N 1 2 360.404 3.277 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000078321032 494278369 /nfs/dbraw/zinc/27/83/69/494278369.db2.gz ZKLOJIPECHWCEQ-IBGZPJMESA-N 1 2 360.404 3.277 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000043330107 494288510 /nfs/dbraw/zinc/28/85/10/494288510.db2.gz MIDOEEAIBHHABX-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)c1 ZINC000043984591 494332806 /nfs/dbraw/zinc/33/28/06/494332806.db2.gz WQBXVGOQFJCJGL-IBGZPJMESA-N 1 2 360.417 3.321 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015107281 494339897 /nfs/dbraw/zinc/33/98/97/494339897.db2.gz FUHHTHAUAATJTI-UHFFFAOYSA-N 1 2 363.889 3.465 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000015107281 494339900 /nfs/dbraw/zinc/33/99/00/494339900.db2.gz FUHHTHAUAATJTI-UHFFFAOYSA-N 1 2 363.889 3.465 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(CC#N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000073601786 494397680 /nfs/dbraw/zinc/39/76/80/494397680.db2.gz BNCIKHBKZQELGP-MRXNPFEDSA-N 1 2 366.440 3.041 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000045611568 494444703 /nfs/dbraw/zinc/44/47/03/494444703.db2.gz ZKUHOYKMCFAAMK-RIYZIHGNSA-N 1 2 359.473 3.079 20 30 FGEDLO N#CCSc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000079409275 494449930 /nfs/dbraw/zinc/44/99/30/494449930.db2.gz GAXJZTRFKGBSCI-UHFFFAOYSA-N 1 2 362.458 3.477 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1OC)Cc1ccccc1F ZINC000056312407 494484817 /nfs/dbraw/zinc/48/48/17/494484817.db2.gz UFSMHSKVXMREOD-UHFFFAOYSA-N 1 2 356.441 3.181 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1OC)Cc1ccccc1F ZINC000056312407 494484821 /nfs/dbraw/zinc/48/48/21/494484821.db2.gz UFSMHSKVXMREOD-UHFFFAOYSA-N 1 2 356.441 3.181 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000046171442 494500675 /nfs/dbraw/zinc/50/06/75/494500675.db2.gz GEEGBPLFSRBXSY-XHDPSFHLSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000046171442 494500678 /nfs/dbraw/zinc/50/06/78/494500678.db2.gz GEEGBPLFSRBXSY-XHDPSFHLSA-N 1 2 372.332 3.385 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(COC)c1)Cc1ccccc1F ZINC000079889165 494543995 /nfs/dbraw/zinc/54/39/95/494543995.db2.gz MBKFRLJXCLOOIV-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cccc(COC)c1)Cc1ccccc1F ZINC000079889165 494543997 /nfs/dbraw/zinc/54/39/97/494543997.db2.gz MBKFRLJXCLOOIV-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOc2ccccc2C1 ZINC000080103116 494595589 /nfs/dbraw/zinc/59/55/89/494595589.db2.gz DERMGTRXJQJTBE-MRXNPFEDSA-N 1 2 367.424 3.355 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOc2ccccc2C1 ZINC000080103116 494595598 /nfs/dbraw/zinc/59/55/98/494595598.db2.gz DERMGTRXJQJTBE-MRXNPFEDSA-N 1 2 367.424 3.355 20 30 FGEDLO CC(C)(C)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000080161515 494619619 /nfs/dbraw/zinc/61/96/19/494619619.db2.gz YOMWBVXKXGXSNJ-UHFFFAOYSA-N 1 2 358.486 3.064 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)c3cc(C)c(C#N)cn3)ccc2n1C1CC1 ZINC000568598918 505733169 /nfs/dbraw/zinc/73/31/69/505733169.db2.gz IEHURYAUZRHRFG-UHFFFAOYSA-N 1 2 359.433 3.439 20 30 FGEDLO CC(C)[N@@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574261520 505733311 /nfs/dbraw/zinc/73/33/11/505733311.db2.gz HPFSDVXDNXKCDZ-IEBWSBKVSA-N 1 2 373.863 3.454 20 30 FGEDLO CC(C)[N@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574261520 505733314 /nfs/dbraw/zinc/73/33/14/505733314.db2.gz HPFSDVXDNXKCDZ-IEBWSBKVSA-N 1 2 373.863 3.454 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126644165 494809426 /nfs/dbraw/zinc/80/94/26/494809426.db2.gz HMBFUSUCSGLAKH-KRWDZBQOSA-N 1 2 361.445 3.032 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126644165 494809432 /nfs/dbraw/zinc/80/94/32/494809432.db2.gz HMBFUSUCSGLAKH-KRWDZBQOSA-N 1 2 361.445 3.032 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371674 494822916 /nfs/dbraw/zinc/82/29/16/494822916.db2.gz HWGWRZHHCUAPJH-SFHVURJKSA-N 1 2 359.514 3.295 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371674 494822920 /nfs/dbraw/zinc/82/29/20/494822920.db2.gz HWGWRZHHCUAPJH-SFHVURJKSA-N 1 2 359.514 3.295 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116995148 494880511 /nfs/dbraw/zinc/88/05/11/494880511.db2.gz IQYXQXOVMJLALY-OALUTQOASA-N 1 2 357.450 3.130 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116995148 494880515 /nfs/dbraw/zinc/88/05/15/494880515.db2.gz IQYXQXOVMJLALY-OALUTQOASA-N 1 2 357.450 3.130 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1Cl ZINC000093391794 494884658 /nfs/dbraw/zinc/88/46/58/494884658.db2.gz CWNDHQBJTMVLNV-ZDUSSCGKSA-N 1 2 357.903 3.302 20 30 FGEDLO C=CCOc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1Cl ZINC000093391794 494884662 /nfs/dbraw/zinc/88/46/62/494884662.db2.gz CWNDHQBJTMVLNV-ZDUSSCGKSA-N 1 2 357.903 3.302 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1 ZINC000027775989 494885389 /nfs/dbraw/zinc/88/53/89/494885389.db2.gz OXSRWXRHPSTFFL-UHFFFAOYSA-N 1 2 363.461 3.439 20 30 FGEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1 ZINC000027775989 494885394 /nfs/dbraw/zinc/88/53/94/494885394.db2.gz OXSRWXRHPSTFFL-UHFFFAOYSA-N 1 2 363.461 3.439 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000127217127 494911204 /nfs/dbraw/zinc/91/12/04/494911204.db2.gz WJYUCOKMWDAAIZ-UXHICEINSA-N 1 2 360.417 3.083 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000127217127 494911210 /nfs/dbraw/zinc/91/12/10/494911210.db2.gz WJYUCOKMWDAAIZ-UXHICEINSA-N 1 2 360.417 3.083 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351935 494912776 /nfs/dbraw/zinc/91/27/76/494912776.db2.gz DCKXDPSSBRUUDE-JQWIXIFHSA-N 1 2 373.341 3.246 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351935 494912779 /nfs/dbraw/zinc/91/27/79/494912779.db2.gz DCKXDPSSBRUUDE-JQWIXIFHSA-N 1 2 373.341 3.246 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000127333824 494929959 /nfs/dbraw/zinc/92/99/59/494929959.db2.gz DGQFMBHHCZVRNW-UHFFFAOYSA-N 1 2 356.307 3.091 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393583 494999476 /nfs/dbraw/zinc/99/94/76/494999476.db2.gz ZWLNSLWAPAGITD-QGZVFWFLSA-N 1 2 363.461 3.476 20 30 FGEDLO C[C@@H](O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000111288651 495059375 /nfs/dbraw/zinc/05/93/75/495059375.db2.gz JSYVFONEWCPOSZ-HUUCEWRRSA-N 1 2 361.511 3.112 20 30 FGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000101732654 495094507 /nfs/dbraw/zinc/09/45/07/495094507.db2.gz OJETWVDDFBKQQI-INIZCTEOSA-N 1 2 360.404 3.293 20 30 FGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000101732654 495094508 /nfs/dbraw/zinc/09/45/08/495094508.db2.gz OJETWVDDFBKQQI-INIZCTEOSA-N 1 2 360.404 3.293 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000128479344 495103249 /nfs/dbraw/zinc/10/32/49/495103249.db2.gz HQIBMPJHZMQDIS-UHFFFAOYSA-N 1 2 367.474 3.116 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000128479344 495103253 /nfs/dbraw/zinc/10/32/53/495103253.db2.gz HQIBMPJHZMQDIS-UHFFFAOYSA-N 1 2 367.474 3.116 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000568725261 505762121 /nfs/dbraw/zinc/76/21/21/505762121.db2.gz SHQUQRJUSKHSBF-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000568725261 505762123 /nfs/dbraw/zinc/76/21/23/505762123.db2.gz SHQUQRJUSKHSBF-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128623276 495126330 /nfs/dbraw/zinc/12/63/30/495126330.db2.gz BKSPOMHGSSQFPO-IBGZPJMESA-N 1 2 363.465 3.154 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000102802643 495162615 /nfs/dbraw/zinc/16/26/15/495162615.db2.gz PTGNGCGPQYUURB-UHFFFAOYSA-N 1 2 371.347 3.172 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129166303 495206156 /nfs/dbraw/zinc/20/61/56/495206156.db2.gz QMBVAAZRVMCLHT-NRFANRHFSA-N 1 2 370.424 3.467 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129166303 495206161 /nfs/dbraw/zinc/20/61/61/495206161.db2.gz QMBVAAZRVMCLHT-NRFANRHFSA-N 1 2 370.424 3.467 20 30 FGEDLO C=CCNc1ncc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)s1 ZINC000129349580 495232305 /nfs/dbraw/zinc/23/23/05/495232305.db2.gz DJRVLJHSBRIMQS-UHFFFAOYSA-N 1 2 367.478 3.258 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)ccc1OC ZINC000119871129 495258691 /nfs/dbraw/zinc/25/86/91/495258691.db2.gz CNOGNKOMZLCDEJ-LJQANCHMSA-N 1 2 366.461 3.062 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)ccc1OC ZINC000119871129 495258695 /nfs/dbraw/zinc/25/86/95/495258695.db2.gz CNOGNKOMZLCDEJ-LJQANCHMSA-N 1 2 366.461 3.062 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713844 495299878 /nfs/dbraw/zinc/29/98/78/495299878.db2.gz KFZDAYYJBITBKI-MRXNPFEDSA-N 1 2 374.444 3.300 20 30 FGEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868179 495356256 /nfs/dbraw/zinc/35/62/56/495356256.db2.gz UHKONRPCKJYPMN-RBBKRZOGSA-N 1 2 364.489 3.364 20 30 FGEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868179 495356259 /nfs/dbraw/zinc/35/62/59/495356259.db2.gz UHKONRPCKJYPMN-RBBKRZOGSA-N 1 2 364.489 3.364 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000114674020 495407845 /nfs/dbraw/zinc/40/78/45/495407845.db2.gz SQSWDJPJLUPJCK-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000114674020 495407847 /nfs/dbraw/zinc/40/78/47/495407847.db2.gz SQSWDJPJLUPJCK-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C ZINC000125232884 495410522 /nfs/dbraw/zinc/41/05/22/495410522.db2.gz HFJHHYAQTOUIOH-FUHWJXTLSA-N 1 2 367.449 3.318 20 30 FGEDLO Cc1ccc2oc(N3CC[NH+](Cc4cc(C#N)ccc4F)CC3)nc2c1 ZINC000106095240 495414832 /nfs/dbraw/zinc/41/48/32/495414832.db2.gz GPSVGLLNQTVPSE-UHFFFAOYSA-N 1 2 350.397 3.469 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000137116444 495424434 /nfs/dbraw/zinc/42/44/34/495424434.db2.gz ORXRLKJJOZLGNM-IRXDYDNUSA-N 1 2 361.486 3.010 20 30 FGEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000114802547 495427450 /nfs/dbraw/zinc/42/74/50/495427450.db2.gz BBYSTAKMBNYWOO-INIZCTEOSA-N 1 2 355.438 3.445 20 30 FGEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000114802547 495427452 /nfs/dbraw/zinc/42/74/52/495427452.db2.gz BBYSTAKMBNYWOO-INIZCTEOSA-N 1 2 355.438 3.445 20 30 FGEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120751099 495449838 /nfs/dbraw/zinc/44/98/38/495449838.db2.gz VKASSYRKJKKMQL-SWLSCSKDSA-N 1 2 361.492 3.472 20 30 FGEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120751099 495449840 /nfs/dbraw/zinc/44/98/40/495449840.db2.gz VKASSYRKJKKMQL-SWLSCSKDSA-N 1 2 361.492 3.472 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130871753 495459130 /nfs/dbraw/zinc/45/91/30/495459130.db2.gz FRHBZRPAXXCHNQ-UHFFFAOYSA-N 1 2 373.416 3.337 20 30 FGEDLO C=CC[N@H+](Cc1c[nH]c2nccnc12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000568820543 505783953 /nfs/dbraw/zinc/78/39/53/505783953.db2.gz OONLITFKBTVCKT-GOSISDBHSA-N 1 2 364.449 3.072 20 30 FGEDLO C=CC[N@@H+](Cc1c[nH]c2nccnc12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000568820543 505783957 /nfs/dbraw/zinc/78/39/57/505783957.db2.gz OONLITFKBTVCKT-GOSISDBHSA-N 1 2 364.449 3.072 20 30 FGEDLO Cc1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000115536147 495513996 /nfs/dbraw/zinc/51/39/96/495513996.db2.gz ZXUPPSZVEASSBI-NRFANRHFSA-N 1 2 363.461 3.245 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C(N)=O)cc1 ZINC000115597019 495520639 /nfs/dbraw/zinc/52/06/39/495520639.db2.gz ZLZHXYDZYKOHRU-OAHLLOKOSA-N 1 2 351.303 3.032 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000170768802 495596916 /nfs/dbraw/zinc/59/69/16/495596916.db2.gz QOYJLRAPWAFVGT-HNNXBMFYSA-N 1 2 366.465 3.015 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000170768802 495596918 /nfs/dbraw/zinc/59/69/18/495596918.db2.gz QOYJLRAPWAFVGT-HNNXBMFYSA-N 1 2 366.465 3.015 20 30 FGEDLO N#Cc1ccc(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000176499500 495675378 /nfs/dbraw/zinc/67/53/78/495675378.db2.gz KAPXLMKSMJMOQR-UHFFFAOYSA-N 1 2 358.445 3.246 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cnn(C)c1 ZINC000170985603 495677760 /nfs/dbraw/zinc/67/77/60/495677760.db2.gz RJBAVFJCQJXQHP-HNNXBMFYSA-N 1 2 371.510 3.275 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cnn(C)c1 ZINC000170985603 495677762 /nfs/dbraw/zinc/67/77/62/495677762.db2.gz RJBAVFJCQJXQHP-HNNXBMFYSA-N 1 2 371.510 3.275 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154665841 495689450 /nfs/dbraw/zinc/68/94/50/495689450.db2.gz PHILXBYTMCLBQU-RBUKOAKNSA-N 1 2 354.454 3.004 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000171093430 495721697 /nfs/dbraw/zinc/72/16/97/495721697.db2.gz ZXVPRQJDYILESH-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000171093430 495721703 /nfs/dbraw/zinc/72/17/03/495721703.db2.gz ZXVPRQJDYILESH-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO Cc1[nH+]cccc1Cc1noc([C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000577834360 505800777 /nfs/dbraw/zinc/80/07/77/505800777.db2.gz QYKLSWYDNTWRRZ-INIZCTEOSA-N 1 2 363.396 3.369 20 30 FGEDLO CC(C)Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000183219262 495885962 /nfs/dbraw/zinc/88/59/62/495885962.db2.gz TWLWDLDSLZWLHC-UHFFFAOYSA-N 1 2 374.492 3.281 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000155588831 496004164 /nfs/dbraw/zinc/00/41/64/496004164.db2.gz XASJJAQREQMIFY-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000155588831 496004167 /nfs/dbraw/zinc/00/41/67/496004167.db2.gz XASJJAQREQMIFY-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000155588717 496004317 /nfs/dbraw/zinc/00/43/17/496004317.db2.gz XASJJAQREQMIFY-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000155588717 496004322 /nfs/dbraw/zinc/00/43/22/496004322.db2.gz XASJJAQREQMIFY-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C=CC[N@H+](Cc1cccc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000171747770 496019810 /nfs/dbraw/zinc/01/98/10/496019810.db2.gz FYCCJSZNDFESJE-FQEVSTJZSA-N 1 2 371.502 3.441 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000171747770 496019814 /nfs/dbraw/zinc/01/98/14/496019814.db2.gz FYCCJSZNDFESJE-FQEVSTJZSA-N 1 2 371.502 3.441 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCSCc1ccccc1C#N ZINC000174829420 496123940 /nfs/dbraw/zinc/12/39/40/496123940.db2.gz NEYZNTBCTOETIO-UHFFFAOYSA-N 1 2 371.510 3.143 20 30 FGEDLO C[S@@](=O)Cc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1Cl ZINC000180759334 496135295 /nfs/dbraw/zinc/13/52/95/496135295.db2.gz SMGONDMHCAPJDQ-XMMPIXPASA-N 1 2 358.854 3.350 20 30 FGEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000156079861 496152215 /nfs/dbraw/zinc/15/22/15/496152215.db2.gz HRJQUKPXMNMXDW-OAHLLOKOSA-N 1 2 354.454 3.370 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000180832455 496163726 /nfs/dbraw/zinc/16/37/26/496163726.db2.gz ARCJAXFIQYKJJZ-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)C(F)(F)F ZINC000568998326 505827506 /nfs/dbraw/zinc/82/75/06/505827506.db2.gz UFCLDPLPFNNEBJ-CZUORRHYSA-N 1 2 356.392 3.435 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c2ccccc21 ZINC000152547409 496183772 /nfs/dbraw/zinc/18/37/72/496183772.db2.gz HFTJAHAQVHFDQK-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c2ccccc21 ZINC000152547409 496183774 /nfs/dbraw/zinc/18/37/74/496183774.db2.gz HFTJAHAQVHFDQK-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000183993924 496192132 /nfs/dbraw/zinc/19/21/32/496192132.db2.gz VSZFKNUQLMEVLW-UHFFFAOYSA-N 1 2 367.453 3.094 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184151884 496260563 /nfs/dbraw/zinc/26/05/63/496260563.db2.gz XNMHOAREWPOZQQ-MRXNPFEDSA-N 1 2 365.437 3.117 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000156764082 496328946 /nfs/dbraw/zinc/32/89/46/496328946.db2.gz OUANZFJMOQQCMK-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000156764082 496328952 /nfs/dbraw/zinc/32/89/52/496328952.db2.gz OUANZFJMOQQCMK-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178200189 496367719 /nfs/dbraw/zinc/36/77/19/496367719.db2.gz ZUUFILIPHZEDOU-UHFFFAOYSA-N 1 2 357.320 3.129 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000178205568 496368741 /nfs/dbraw/zinc/36/87/41/496368741.db2.gz WGTZLAZCIQJABO-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000178205568 496368745 /nfs/dbraw/zinc/36/87/45/496368745.db2.gz WGTZLAZCIQJABO-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000178311962 496408689 /nfs/dbraw/zinc/40/86/89/496408689.db2.gz FDAAAQJGGOHSEZ-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO CC(C)c1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000157317828 496454157 /nfs/dbraw/zinc/45/41/57/496454157.db2.gz UJVNKROXSMVKJU-UHFFFAOYSA-N 1 2 368.506 3.486 20 30 FGEDLO CC(C)c1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000157317828 496454159 /nfs/dbraw/zinc/45/41/59/496454159.db2.gz UJVNKROXSMVKJU-UHFFFAOYSA-N 1 2 368.506 3.486 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cnn1-c1cccc(C#N)c1 ZINC000580836042 505849024 /nfs/dbraw/zinc/84/90/24/505849024.db2.gz UJFFYJYZFJMYPX-MRXNPFEDSA-N 1 2 374.448 3.094 20 30 FGEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1 ZINC000184807855 496539930 /nfs/dbraw/zinc/53/99/30/496539930.db2.gz JYVSFVWKMSKSFB-AWEZNQCLSA-N 1 2 371.366 3.383 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184819389 496544872 /nfs/dbraw/zinc/54/48/72/496544872.db2.gz YSSVMQGJHIRATH-INIZCTEOSA-N 1 2 361.829 3.283 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000187811287 496579493 /nfs/dbraw/zinc/57/94/93/496579493.db2.gz UQVFUMHADGOJGR-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000175899273 496594125 /nfs/dbraw/zinc/59/41/25/496594125.db2.gz BQJHSMXEOLUMHF-UHFFFAOYSA-N 1 2 367.359 3.022 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178890012 496606049 /nfs/dbraw/zinc/60/60/49/496606049.db2.gz FJUHQEDFBDTJIS-KRWDZBQOSA-N 1 2 354.429 3.197 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000185194360 496699447 /nfs/dbraw/zinc/69/94/47/496699447.db2.gz YNQYPRBQGQMPSA-CABCVRRESA-N 1 2 369.469 3.353 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000179204999 496710437 /nfs/dbraw/zinc/71/04/37/496710437.db2.gz VTGMXQXIIQIMQP-CQSZACIVSA-N 1 2 367.440 3.038 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000179204999 496710442 /nfs/dbraw/zinc/71/04/42/496710442.db2.gz VTGMXQXIIQIMQP-CQSZACIVSA-N 1 2 367.440 3.038 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000185306290 496726848 /nfs/dbraw/zinc/72/68/48/496726848.db2.gz ISHOQTVSWJEDPU-DNVCBOLYSA-N 1 2 367.399 3.431 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000185306290 496726851 /nfs/dbraw/zinc/72/68/51/496726851.db2.gz ISHOQTVSWJEDPU-DNVCBOLYSA-N 1 2 367.399 3.431 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000191435868 496761144 /nfs/dbraw/zinc/76/11/44/496761144.db2.gz WTWYUMHXBPXKSK-SJORKVTESA-N 1 2 371.462 3.062 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000191435868 496761150 /nfs/dbraw/zinc/76/11/50/496761150.db2.gz WTWYUMHXBPXKSK-SJORKVTESA-N 1 2 371.462 3.062 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263944494 496770070 /nfs/dbraw/zinc/77/00/70/496770070.db2.gz IIVNSFIYRBMLIT-MRXNPFEDSA-N 1 2 369.494 3.104 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCC(O)(c4ccccc4Cl)CC3)n2c1 ZINC000194949692 496771426 /nfs/dbraw/zinc/77/14/26/496771426.db2.gz CUAJQAARSJEZBI-UHFFFAOYSA-N 1 2 366.852 3.343 20 30 FGEDLO CCS[C@@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000268851563 496802942 /nfs/dbraw/zinc/80/29/42/496802942.db2.gz BVKNJZHIYXLSPD-HNNXBMFYSA-N 1 2 371.510 3.073 20 30 FGEDLO C[C@H]([C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCOCC1 ZINC000264275758 496859480 /nfs/dbraw/zinc/85/94/80/496859480.db2.gz OHJDQDYGXPBGIH-DLBZAZTESA-N 1 2 363.461 3.064 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000273714787 496882533 /nfs/dbraw/zinc/88/25/33/496882533.db2.gz QTUAKISOHWZGEF-KGLIPLIRSA-N 1 2 357.483 3.141 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188750746 496896101 /nfs/dbraw/zinc/89/61/01/496896101.db2.gz MVZXCXXKHHETAL-UHFFFAOYSA-N 1 2 353.853 3.308 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188750746 496896110 /nfs/dbraw/zinc/89/61/10/496896110.db2.gz MVZXCXXKHHETAL-UHFFFAOYSA-N 1 2 353.853 3.308 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1F ZINC000192104072 496996561 /nfs/dbraw/zinc/99/65/61/496996561.db2.gz PGFQIAZOMWLYCP-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CC1 ZINC000274180598 497034541 /nfs/dbraw/zinc/03/45/41/497034541.db2.gz OTTADURWESPQLW-UHFFFAOYSA-N 1 2 353.447 3.037 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CC1 ZINC000274180598 497034546 /nfs/dbraw/zinc/03/45/46/497034546.db2.gz OTTADURWESPQLW-UHFFFAOYSA-N 1 2 353.447 3.037 20 30 FGEDLO CC#CCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274301497 497065495 /nfs/dbraw/zinc/06/54/95/497065495.db2.gz FLNBYOMFELSVFA-UHFFFAOYSA-N 1 2 362.271 3.258 20 30 FGEDLO CC(C)(C)C1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265355434 497106970 /nfs/dbraw/zinc/10/69/70/497106970.db2.gz KXPFJFJEWCIUFP-INIZCTEOSA-N 1 2 366.465 3.270 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121990 497171132 /nfs/dbraw/zinc/17/11/32/497171132.db2.gz UFPMSDCHRFUBBT-SJLPKXTDSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121990 497171135 /nfs/dbraw/zinc/17/11/35/497171135.db2.gz UFPMSDCHRFUBBT-SJLPKXTDSA-N 1 2 355.825 3.092 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2nccn2C)c1 ZINC000192642226 497173481 /nfs/dbraw/zinc/17/34/81/497173481.db2.gz TXYFBONGJPXJLD-URLQWDBASA-N 1 2 354.454 3.199 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278634470 497175274 /nfs/dbraw/zinc/17/52/74/497175274.db2.gz OKZAAAMHXHXTRM-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278634470 497175281 /nfs/dbraw/zinc/17/52/81/497175281.db2.gz OKZAAAMHXHXTRM-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO COCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000249822392 497251104 /nfs/dbraw/zinc/25/11/04/497251104.db2.gz HLZPECNIJWOCKF-NHCUHLMSSA-N 1 2 369.509 3.188 20 30 FGEDLO COCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000249822392 497251108 /nfs/dbraw/zinc/25/11/08/497251108.db2.gz HLZPECNIJWOCKF-NHCUHLMSSA-N 1 2 369.509 3.188 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000190087416 497352380 /nfs/dbraw/zinc/35/23/80/497352380.db2.gz KXGNMJXIGDGREK-AWEZNQCLSA-N 1 2 369.852 3.436 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245936513 497578165 /nfs/dbraw/zinc/57/81/65/497578165.db2.gz XJTGYLSRDOCZNA-IAGOWNOFSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245936513 497578169 /nfs/dbraw/zinc/57/81/69/497578169.db2.gz XJTGYLSRDOCZNA-IAGOWNOFSA-N 1 2 360.820 3.244 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000280098290 497648817 /nfs/dbraw/zinc/64/88/17/497648817.db2.gz OWVZACDVUKUAEL-DYESRHJHSA-N 1 2 350.466 3.077 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000280192035 497676888 /nfs/dbraw/zinc/67/68/88/497676888.db2.gz UDKSNHDPMQDOBF-RTWAWAEBSA-N 1 2 350.466 3.124 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000191129350 497718568 /nfs/dbraw/zinc/71/85/68/497718568.db2.gz WQBASQGWIZJOFD-UHFFFAOYSA-N 1 2 360.454 3.191 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000191129350 497718575 /nfs/dbraw/zinc/71/85/75/497718575.db2.gz WQBASQGWIZJOFD-UHFFFAOYSA-N 1 2 360.454 3.191 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000191134322 497720966 /nfs/dbraw/zinc/72/09/66/497720966.db2.gz KZFNSZWURSIXGB-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000191134322 497720972 /nfs/dbraw/zinc/72/09/72/497720972.db2.gz KZFNSZWURSIXGB-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241253 497754324 /nfs/dbraw/zinc/75/43/24/497754324.db2.gz CIWLIBRJYLKBMM-KRWDZBQOSA-N 1 2 355.404 3.495 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241253 497754329 /nfs/dbraw/zinc/75/43/29/497754329.db2.gz CIWLIBRJYLKBMM-KRWDZBQOSA-N 1 2 355.404 3.495 20 30 FGEDLO Cc1ccnc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000272930060 497764453 /nfs/dbraw/zinc/76/44/53/497764453.db2.gz JVPZRXYDLYNCAJ-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246644379 497793998 /nfs/dbraw/zinc/79/39/98/497793998.db2.gz NWOQPKOSHUROQO-ANTGDGSKSA-N 1 2 368.525 3.047 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000329609500 497844995 /nfs/dbraw/zinc/84/49/95/497844995.db2.gz BUNBYEFNBPXSGV-MRXNPFEDSA-N 1 2 367.474 3.398 20 30 FGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000329609500 497845002 /nfs/dbraw/zinc/84/50/02/497845002.db2.gz BUNBYEFNBPXSGV-MRXNPFEDSA-N 1 2 367.474 3.398 20 30 FGEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283883 497879324 /nfs/dbraw/zinc/87/93/24/497879324.db2.gz CFPJMEVIHYWVOF-SJORKVTESA-N 1 2 351.368 3.127 20 30 FGEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283883 497879330 /nfs/dbraw/zinc/87/93/30/497879330.db2.gz CFPJMEVIHYWVOF-SJORKVTESA-N 1 2 351.368 3.127 20 30 FGEDLO CC(C)(C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299663513 497885498 /nfs/dbraw/zinc/88/54/98/497885498.db2.gz SFGYBWCKQURAQJ-UHFFFAOYSA-N 1 2 367.453 3.089 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329784158 497900551 /nfs/dbraw/zinc/90/05/51/497900551.db2.gz PBDMYYIWAAJSMD-DLTWYDFYSA-N 1 2 351.491 3.325 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329784158 497900557 /nfs/dbraw/zinc/90/05/57/497900557.db2.gz PBDMYYIWAAJSMD-DLTWYDFYSA-N 1 2 351.491 3.325 20 30 FGEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1(C2CC2)CCOCC1 ZINC000329799648 497905396 /nfs/dbraw/zinc/90/53/96/497905396.db2.gz IGBOUCWEIMJQCS-UHFFFAOYSA-N 1 2 370.453 3.194 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@H](c1cccs1)[NH+]1CCOCC1)CCCC2 ZINC000301073069 497939835 /nfs/dbraw/zinc/93/98/35/497939835.db2.gz GNIACJAIWNWDRF-GOSISDBHSA-N 1 2 368.506 3.379 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329930807 497956267 /nfs/dbraw/zinc/95/62/67/497956267.db2.gz ZWUCLNZXAJLYEM-FUHWJXTLSA-N 1 2 355.486 3.382 20 30 FGEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCc2ccc(F)cc21 ZINC000329950021 497965978 /nfs/dbraw/zinc/96/59/78/497965978.db2.gz HPJJWVCDNVDBAL-WMZOPIPTSA-N 1 2 354.429 3.381 20 30 FGEDLO [O-]C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000329959914 497970586 /nfs/dbraw/zinc/97/05/86/497970586.db2.gz QVBLPRHKIWXQJL-VAMGGRTRSA-N 1 2 367.497 3.145 20 30 FGEDLO [O-]C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000329959914 497970589 /nfs/dbraw/zinc/97/05/89/497970589.db2.gz QVBLPRHKIWXQJL-VAMGGRTRSA-N 1 2 367.497 3.145 20 30 FGEDLO CCN1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329962970 497971877 /nfs/dbraw/zinc/97/18/77/497971877.db2.gz TTWFQEYUZJHOMM-RTBURBONSA-N 1 2 367.497 3.122 20 30 FGEDLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1)Nc1ccccc1 ZINC000329968211 497973736 /nfs/dbraw/zinc/97/37/36/497973736.db2.gz WNLYFYYPOCRNBN-AWEZNQCLSA-N 1 2 358.442 3.062 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329965812 497973848 /nfs/dbraw/zinc/97/38/48/497973848.db2.gz RIWZPBQKBHNHIE-SFHVURJKSA-N 1 2 369.513 3.289 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H](CC(N)=O)C1)C2 ZINC000329994411 497984431 /nfs/dbraw/zinc/98/44/31/497984431.db2.gz ZGZLHSBKKBVDEJ-KGLIPLIRSA-N 1 2 361.490 3.047 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519649 497997781 /nfs/dbraw/zinc/99/77/81/497997781.db2.gz CLVPXVAFUARANI-ZFWWWQNUSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519649 497997786 /nfs/dbraw/zinc/99/77/86/497997786.db2.gz CLVPXVAFUARANI-ZFWWWQNUSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519649 497997792 /nfs/dbraw/zinc/99/77/92/497997792.db2.gz CLVPXVAFUARANI-ZFWWWQNUSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519649 497997798 /nfs/dbraw/zinc/99/77/98/497997798.db2.gz CLVPXVAFUARANI-ZFWWWQNUSA-N 1 2 355.442 3.006 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@@]2(CCOC2)O1 ZINC000330087875 498016365 /nfs/dbraw/zinc/01/63/65/498016365.db2.gz UFDNDVAQUHIXMW-UYAOXDASSA-N 1 2 358.482 3.292 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@@]2(CCOC2)O1 ZINC000330087875 498016372 /nfs/dbraw/zinc/01/63/72/498016372.db2.gz UFDNDVAQUHIXMW-UYAOXDASSA-N 1 2 358.482 3.292 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ncccn2)n1 ZINC000578551761 505966128 /nfs/dbraw/zinc/96/61/28/505966128.db2.gz XKPBYJYICCCMCT-UHFFFAOYSA-N 1 2 365.462 3.120 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(-c2ncccn2)n1 ZINC000578551761 505966131 /nfs/dbraw/zinc/96/61/31/505966131.db2.gz XKPBYJYICCCMCT-UHFFFAOYSA-N 1 2 365.462 3.120 20 30 FGEDLO CC1(C)CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000330124688 498029891 /nfs/dbraw/zinc/02/98/91/498029891.db2.gz IDYOOMNWTHFGLU-SFHVURJKSA-N 1 2 367.497 3.298 20 30 FGEDLO CC1(C)CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000330124688 498029895 /nfs/dbraw/zinc/02/98/95/498029895.db2.gz IDYOOMNWTHFGLU-SFHVURJKSA-N 1 2 367.497 3.298 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C4CC4)C3)n2)C1 ZINC000330133012 498032652 /nfs/dbraw/zinc/03/26/52/498032652.db2.gz LTNOTZCJQGSHKZ-BBRMVZONSA-N 1 2 364.515 3.031 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C4CC4)C3)n2)C1 ZINC000330133012 498032659 /nfs/dbraw/zinc/03/26/59/498032659.db2.gz LTNOTZCJQGSHKZ-BBRMVZONSA-N 1 2 364.515 3.031 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(OC(C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330182535 498052493 /nfs/dbraw/zinc/05/24/93/498052493.db2.gz HHVBYHCMXLKWQV-KRWDZBQOSA-N 1 2 371.485 3.430 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000330219424 498067582 /nfs/dbraw/zinc/06/75/82/498067582.db2.gz PNKIHBOETMYINU-CYBMUJFWSA-N 1 2 360.449 3.047 20 30 FGEDLO CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1cn2c([nH+]1)CCCC2 ZINC000330234183 498073188 /nfs/dbraw/zinc/07/31/88/498073188.db2.gz GIJGQXKKPKROJW-KRWDZBQOSA-N 1 2 354.454 3.132 20 30 FGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000575419172 505975421 /nfs/dbraw/zinc/97/54/21/505975421.db2.gz YURFSSUXSMCFAY-CYBMUJFWSA-N 1 2 350.846 3.480 20 30 FGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000575419172 505975425 /nfs/dbraw/zinc/97/54/25/505975425.db2.gz YURFSSUXSMCFAY-CYBMUJFWSA-N 1 2 350.846 3.480 20 30 FGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3noc(C4CC4)n3)CC2)cc1Cl ZINC000301393171 498090346 /nfs/dbraw/zinc/09/03/46/498090346.db2.gz CDXUFDVQQLAZLQ-UHFFFAOYSA-N 1 2 357.845 3.184 20 30 FGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3noc(C4CC4)n3)CC2)cc1Cl ZINC000301393171 498090353 /nfs/dbraw/zinc/09/03/53/498090353.db2.gz CDXUFDVQQLAZLQ-UHFFFAOYSA-N 1 2 357.845 3.184 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H](O)C12CCCC2 ZINC000330317900 498102607 /nfs/dbraw/zinc/10/26/07/498102607.db2.gz BZIQZGPLABUZDC-OAHLLOKOSA-N 1 2 364.515 3.054 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330345060 498112870 /nfs/dbraw/zinc/11/28/70/498112870.db2.gz DRUJTRBOOWPVFE-GOSISDBHSA-N 1 2 370.501 3.179 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)CCO1 ZINC000330359607 498118614 /nfs/dbraw/zinc/11/86/14/498118614.db2.gz WFNYLZNNAATSNR-RHSMWYFYSA-N 1 2 369.425 3.010 20 30 FGEDLO N#Cc1ccc(SCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351029653 498166386 /nfs/dbraw/zinc/16/63/86/498166386.db2.gz WUISVLJYKKNRDV-GDBMZVCRSA-N 1 2 356.451 3.159 20 30 FGEDLO N#Cc1ccc(SCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000351029653 498166391 /nfs/dbraw/zinc/16/63/91/498166391.db2.gz WUISVLJYKKNRDV-GDBMZVCRSA-N 1 2 356.451 3.159 20 30 FGEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)S1 ZINC000301574178 498169705 /nfs/dbraw/zinc/16/97/05/498169705.db2.gz LTKNEQCNQLHROD-LLVKDONJSA-N 1 2 354.401 3.190 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301655750 498208948 /nfs/dbraw/zinc/20/89/48/498208948.db2.gz AVEHMBJNLZDUKC-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C)cc(C)n2)CC1 ZINC000364947317 498223435 /nfs/dbraw/zinc/22/34/35/498223435.db2.gz AGHUNIKBBGSTOX-IBGZPJMESA-N 1 2 364.449 3.059 20 30 FGEDLO N#CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281749469 498256309 /nfs/dbraw/zinc/25/63/09/498256309.db2.gz IPLFNNYGFJOFTF-MRXNPFEDSA-N 1 2 364.449 3.142 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c(Br)c1 ZINC000281759148 498259619 /nfs/dbraw/zinc/25/96/19/498259619.db2.gz RNIGESXHDNUOAE-SFHVURJKSA-N 1 2 373.250 3.081 20 30 FGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)n1 ZINC000281854079 498293289 /nfs/dbraw/zinc/29/32/89/498293289.db2.gz ZKSLDLWJQSUCOT-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000361234811 498363392 /nfs/dbraw/zinc/36/33/92/498363392.db2.gz SJCIGZFCBNPEKS-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000361234811 498363399 /nfs/dbraw/zinc/36/33/99/498363399.db2.gz SJCIGZFCBNPEKS-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(F)c1 ZINC000282295049 498455782 /nfs/dbraw/zinc/45/57/82/498455782.db2.gz QXAYPYAMYIYQOP-JTTJXQCZSA-N 1 2 369.444 3.278 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1c(F)cccc1F ZINC000569892658 506039858 /nfs/dbraw/zinc/03/98/58/506039858.db2.gz QUQCZBKZRJSIGL-INIZCTEOSA-N 1 2 362.355 3.400 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000331898890 498492378 /nfs/dbraw/zinc/49/23/78/498492378.db2.gz HNUBKFIXRHFAPT-CQSZACIVSA-N 1 2 356.495 3.269 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1Cl ZINC000302774163 498567085 /nfs/dbraw/zinc/56/70/85/498567085.db2.gz DLRDZONUFDRWTP-UHFFFAOYSA-N 1 2 351.841 3.410 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1c(F)cccc1F ZINC000282614449 498583010 /nfs/dbraw/zinc/58/30/10/498583010.db2.gz GWZSXNMXWULFDB-MQBCKMQZSA-N 1 2 364.440 3.197 20 30 FGEDLO CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287190704 498666802 /nfs/dbraw/zinc/66/68/02/498666802.db2.gz HSAYLSGHSXHEGB-UHFFFAOYSA-N 1 2 364.287 3.059 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298258561 498712570 /nfs/dbraw/zinc/71/25/70/498712570.db2.gz LEHKSBPJNNGFCC-KURKYZTESA-N 1 2 354.454 3.122 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000363285198 498745514 /nfs/dbraw/zinc/74/55/14/498745514.db2.gz FLGGXHLQVUUUOP-MRXNPFEDSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000363285198 498745520 /nfs/dbraw/zinc/74/55/20/498745520.db2.gz FLGGXHLQVUUUOP-MRXNPFEDSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000366099667 498774884 /nfs/dbraw/zinc/77/48/84/498774884.db2.gz VNVNKEQMBJVQRH-UHFFFAOYSA-N 1 2 363.234 3.493 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000287586279 498805613 /nfs/dbraw/zinc/80/56/13/498805613.db2.gz CNVYORXTFRWDCY-GJZGRUSLSA-N 1 2 353.285 3.027 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000287586279 498805619 /nfs/dbraw/zinc/80/56/19/498805619.db2.gz CNVYORXTFRWDCY-GJZGRUSLSA-N 1 2 353.285 3.027 20 30 FGEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1C ZINC000298748059 498868653 /nfs/dbraw/zinc/86/86/53/498868653.db2.gz LXXQUMMGPBXGCM-SFHVURJKSA-N 1 2 374.444 3.342 20 30 FGEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1C ZINC000298748059 498868656 /nfs/dbraw/zinc/86/86/56/498868656.db2.gz LXXQUMMGPBXGCM-SFHVURJKSA-N 1 2 374.444 3.342 20 30 FGEDLO CC1(C)CN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328619612 498878346 /nfs/dbraw/zinc/87/83/46/498878346.db2.gz WBSHWQAITKSUGC-VWXURSGXSA-N 1 2 372.513 3.029 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(C#N)o2)c1 ZINC000295025782 498884576 /nfs/dbraw/zinc/88/45/76/498884576.db2.gz NOBJBQQKRMSYLN-MRXNPFEDSA-N 1 2 365.227 3.088 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000295025782 498884583 /nfs/dbraw/zinc/88/45/83/498884583.db2.gz NOBJBQQKRMSYLN-MRXNPFEDSA-N 1 2 365.227 3.088 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CCN(c3ccccc3)CC1)CCC2 ZINC000328652870 498889475 /nfs/dbraw/zinc/88/94/75/498889475.db2.gz KTGOUZVRXROCIZ-QGZVFWFLSA-N 1 2 367.497 3.242 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 ZINC000328656040 498891070 /nfs/dbraw/zinc/89/10/70/498891070.db2.gz ZABZQXBYPOBURV-AWEZNQCLSA-N 1 2 372.519 3.203 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 ZINC000328656040 498891074 /nfs/dbraw/zinc/89/10/74/498891074.db2.gz ZABZQXBYPOBURV-AWEZNQCLSA-N 1 2 372.519 3.203 20 30 FGEDLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)NC(=O)C1CCCC1 ZINC000328657731 498893538 /nfs/dbraw/zinc/89/35/38/498893538.db2.gz PRJFNFNFIGGZQV-RDTXWAMCSA-N 1 2 361.461 3.224 20 30 FGEDLO Cc1noc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000328690576 498903762 /nfs/dbraw/zinc/90/37/62/498903762.db2.gz QVWSYZSJOMGVHP-IHRRRGAJSA-N 1 2 373.457 3.074 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(C4CC4)CCC3)CC2)cc1 ZINC000328704048 498907222 /nfs/dbraw/zinc/90/72/22/498907222.db2.gz KJTRKNRJSIEXIN-UHFFFAOYSA-N 1 2 352.482 3.170 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366435672 498926294 /nfs/dbraw/zinc/92/62/94/498926294.db2.gz HZZHKSCQAASFTO-QGZVFWFLSA-N 1 2 364.449 3.168 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366435672 498926302 /nfs/dbraw/zinc/92/63/02/498926302.db2.gz HZZHKSCQAASFTO-QGZVFWFLSA-N 1 2 364.449 3.168 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000573085935 506115226 /nfs/dbraw/zinc/11/52/26/506115226.db2.gz BOLOIFHXEWQZHY-UHFFFAOYSA-N 1 2 350.466 3.468 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000573085935 506115229 /nfs/dbraw/zinc/11/52/29/506115229.db2.gz BOLOIFHXEWQZHY-UHFFFAOYSA-N 1 2 350.466 3.468 20 30 FGEDLO C=CC[C@@H](C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1)c1ccccc1 ZINC000363686490 498944482 /nfs/dbraw/zinc/94/44/82/498944482.db2.gz LHPFBEBBQOFASF-LJQANCHMSA-N 1 2 350.466 3.230 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299077596 498958936 /nfs/dbraw/zinc/95/89/36/498958936.db2.gz QSKYELZVLCWGJB-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnc3c(cnn3C(C)C)c1)CCC2 ZINC000328845508 498959869 /nfs/dbraw/zinc/95/98/69/498959869.db2.gz VICQLSRTUAXOIN-CQSZACIVSA-N 1 2 352.442 3.399 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363721260 498960716 /nfs/dbraw/zinc/96/07/16/498960716.db2.gz JWMZKDDDMBIXMP-UHFFFAOYSA-N 1 2 355.467 3.109 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1(CO)CCCC1 ZINC000328883460 498973027 /nfs/dbraw/zinc/97/30/27/498973027.db2.gz MFXHBEVMVFVSCT-UHFFFAOYSA-N 1 2 354.454 3.327 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000366621467 499007476 /nfs/dbraw/zinc/00/74/76/499007476.db2.gz SVZDDLVGSXBMNF-QZTJIDSGSA-N 1 2 350.422 3.072 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027670 499018354 /nfs/dbraw/zinc/01/83/54/499018354.db2.gz KGDOBKUBGSACOT-GWCFXTLKSA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027670 499018361 /nfs/dbraw/zinc/01/83/61/499018361.db2.gz KGDOBKUBGSACOT-GWCFXTLKSA-N 1 2 361.471 3.486 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329080451 499035635 /nfs/dbraw/zinc/03/56/35/499035635.db2.gz RJDHAVCJGHLJRU-NRFANRHFSA-N 1 2 360.498 3.190 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000329080451 499035641 /nfs/dbraw/zinc/03/56/41/499035641.db2.gz RJDHAVCJGHLJRU-NRFANRHFSA-N 1 2 360.498 3.190 20 30 FGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000329169718 499062584 /nfs/dbraw/zinc/06/25/84/499062584.db2.gz JGMOUUTYVCRODZ-KSSFIOAISA-N 1 2 372.513 3.498 20 30 FGEDLO COC1(C)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329269075 499087869 /nfs/dbraw/zinc/08/78/69/499087869.db2.gz GSLKTQLJNIATJL-CQSZACIVSA-N 1 2 366.531 3.421 20 30 FGEDLO COC1(C)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329269075 499087871 /nfs/dbraw/zinc/08/78/71/499087871.db2.gz GSLKTQLJNIATJL-CQSZACIVSA-N 1 2 366.531 3.421 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)[C@]12CCCO2 ZINC000329370001 499111073 /nfs/dbraw/zinc/11/10/73/499111073.db2.gz INFQXODAAPHUSQ-NLWGTHIKSA-N 1 2 357.454 3.418 20 30 FGEDLO CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329464163 499125188 /nfs/dbraw/zinc/12/51/88/499125188.db2.gz UUZGQNBFAUWCIN-HNNXBMFYSA-N 1 2 369.469 3.122 20 30 FGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329498365 499128156 /nfs/dbraw/zinc/12/81/56/499128156.db2.gz JSXXLZCUCWQBAE-QGZVFWFLSA-N 1 2 360.433 3.427 20 30 FGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329498365 499128157 /nfs/dbraw/zinc/12/81/57/499128157.db2.gz JSXXLZCUCWQBAE-QGZVFWFLSA-N 1 2 360.433 3.427 20 30 FGEDLO Cc1cc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c[nH+]c1N1CCCC[C@H]1C ZINC000329532688 499129373 /nfs/dbraw/zinc/12/93/73/499129373.db2.gz XMLVJCIUNLTXOA-CYBMUJFWSA-N 1 2 366.425 3.153 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000372564111 499146258 /nfs/dbraw/zinc/14/62/58/499146258.db2.gz MJHVMPOULNTDKO-RTWAWAEBSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000372564111 499146261 /nfs/dbraw/zinc/14/62/61/499146261.db2.gz MJHVMPOULNTDKO-RTWAWAEBSA-N 1 2 368.456 3.296 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(F)c(C#N)c3)CC2)cc1 ZINC000367399999 499194864 /nfs/dbraw/zinc/19/48/64/499194864.db2.gz RQYIZNGIKNCGTI-UHFFFAOYSA-N 1 2 367.424 3.447 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369081468 499363723 /nfs/dbraw/zinc/36/37/23/499363723.db2.gz BGGHWVXMSQLDDO-SFHVURJKSA-N 1 2 367.840 3.433 20 30 FGEDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1O ZINC000371852278 499371711 /nfs/dbraw/zinc/37/17/11/499371711.db2.gz LBOZCVGRLLXJCP-SFHVURJKSA-N 1 2 358.825 3.499 20 30 FGEDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1O ZINC000371852278 499371712 /nfs/dbraw/zinc/37/17/12/499371712.db2.gz LBOZCVGRLLXJCP-SFHVURJKSA-N 1 2 358.825 3.499 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCCOC2)O1 ZINC000369556501 499417293 /nfs/dbraw/zinc/41/72/93/499417293.db2.gz MSXRGBIUTNJOSH-DYVFJYSZSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCCOC2)O1 ZINC000369556501 499417295 /nfs/dbraw/zinc/41/72/95/499417295.db2.gz MSXRGBIUTNJOSH-DYVFJYSZSA-N 1 2 365.271 3.091 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369653807 499432332 /nfs/dbraw/zinc/43/23/32/499432332.db2.gz JMCWJZLTZXIZSY-MRXNPFEDSA-N 1 2 353.441 3.439 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369653807 499432334 /nfs/dbraw/zinc/43/23/34/499432334.db2.gz JMCWJZLTZXIZSY-MRXNPFEDSA-N 1 2 353.441 3.439 20 30 FGEDLO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000372946000 499444220 /nfs/dbraw/zinc/44/42/20/499444220.db2.gz IRORTHTUBNHRGU-MRXNPFEDSA-N 1 2 356.495 3.474 20 30 FGEDLO COc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C#N ZINC000373026903 499448050 /nfs/dbraw/zinc/44/80/50/499448050.db2.gz TZQFBSMZRAVFFY-HXUWFJFHSA-N 1 2 350.397 3.319 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000373426483 499469259 /nfs/dbraw/zinc/46/92/59/499469259.db2.gz MGIAVYOOWVGEFU-OAQYLSRUSA-N 1 2 360.498 3.351 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373769202 499487054 /nfs/dbraw/zinc/48/70/54/499487054.db2.gz GSEIGBGFWINMNB-HZPDHXFCSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373769202 499487055 /nfs/dbraw/zinc/48/70/55/499487055.db2.gz GSEIGBGFWINMNB-HZPDHXFCSA-N 1 2 364.852 3.217 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000375467545 499522839 /nfs/dbraw/zinc/52/28/39/499522839.db2.gz BPYXWFWDBDRFMT-CZUORRHYSA-N 1 2 354.841 3.342 20 30 FGEDLO CCCCCCCCOCC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000375561066 499532721 /nfs/dbraw/zinc/53/27/21/499532721.db2.gz QOTCEHFXLDKZOZ-IBGZPJMESA-N 1 2 365.518 3.381 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375660102 499542470 /nfs/dbraw/zinc/54/24/70/499542470.db2.gz ZIZOZCNRVXZYCO-HNNXBMFYSA-N 1 2 350.344 3.250 20 30 FGEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000375742536 499550698 /nfs/dbraw/zinc/55/06/98/499550698.db2.gz IKNKFJRGPSDROC-CYBMUJFWSA-N 1 2 374.416 3.221 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C)(O)CC1 ZINC000408278168 499582936 /nfs/dbraw/zinc/58/29/36/499582936.db2.gz SKKXPXZOEUCPFH-CYBMUJFWSA-N 1 2 361.511 3.062 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Br ZINC000376620637 499623701 /nfs/dbraw/zinc/62/37/01/499623701.db2.gz GZYLQDBACNMVJH-UHFFFAOYSA-N 1 2 374.242 3.455 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC000376620637 499623703 /nfs/dbraw/zinc/62/37/03/499623703.db2.gz GZYLQDBACNMVJH-UHFFFAOYSA-N 1 2 374.242 3.455 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377316739 499679326 /nfs/dbraw/zinc/67/93/26/499679326.db2.gz LKGYWFADXCKKBD-RBUKOAKNSA-N 1 2 363.465 3.129 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622265 499711902 /nfs/dbraw/zinc/71/19/02/499711902.db2.gz YBHSWCHXHIATCD-IRXDYDNUSA-N 1 2 355.463 3.460 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622265 499711903 /nfs/dbraw/zinc/71/19/03/499711903.db2.gz YBHSWCHXHIATCD-IRXDYDNUSA-N 1 2 355.463 3.460 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000411558251 499763014 /nfs/dbraw/zinc/76/30/14/499763014.db2.gz LGQRJKRNVWSKPF-SFHVURJKSA-N 1 2 364.449 3.497 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000414166418 499765138 /nfs/dbraw/zinc/76/51/38/499765138.db2.gz QXRDTTLWWKESLF-CQSZACIVSA-N 1 2 363.255 3.187 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000414166418 499765139 /nfs/dbraw/zinc/76/51/39/499765139.db2.gz QXRDTTLWWKESLF-CQSZACIVSA-N 1 2 363.255 3.187 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411954613 499806150 /nfs/dbraw/zinc/80/61/50/499806150.db2.gz UYDABPQFXPYRFE-WMZOPIPTSA-N 1 2 367.474 3.049 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411954613 499806152 /nfs/dbraw/zinc/80/61/52/499806152.db2.gz UYDABPQFXPYRFE-WMZOPIPTSA-N 1 2 367.474 3.049 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000412811773 499887092 /nfs/dbraw/zinc/88/70/92/499887092.db2.gz CYOSBUGSIBVOFD-JOCHJYFZSA-N 1 2 364.489 3.436 20 30 FGEDLO C=CCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416037703 499943494 /nfs/dbraw/zinc/94/34/94/499943494.db2.gz YXVKZYGALHWTKN-UHFFFAOYSA-N 1 2 363.259 3.430 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000573301843 506166079 /nfs/dbraw/zinc/16/60/79/506166079.db2.gz CMTLZVQXCDLOIJ-MRXNPFEDSA-N 1 2 358.269 3.112 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000428952253 499966922 /nfs/dbraw/zinc/96/69/22/499966922.db2.gz HWUHLLXIGKFSCG-KUHUBIRLSA-N 1 2 360.454 3.270 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429018058 499983877 /nfs/dbraw/zinc/98/38/77/499983877.db2.gz HKHZWEZLCKOLQN-VSKRKVRLSA-N 1 2 362.473 3.394 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429018058 499983880 /nfs/dbraw/zinc/98/38/80/499983880.db2.gz HKHZWEZLCKOLQN-VSKRKVRLSA-N 1 2 362.473 3.394 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429269313 500038726 /nfs/dbraw/zinc/03/87/26/500038726.db2.gz BHMFSVDDLDHGGH-HXUWFJFHSA-N 1 2 356.429 3.419 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C)C1CC1 ZINC000429294586 500045776 /nfs/dbraw/zinc/04/57/76/500045776.db2.gz OPKJPXQUUZYOLO-HXUWFJFHSA-N 1 2 374.916 3.049 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C)C1CC1 ZINC000429294586 500045779 /nfs/dbraw/zinc/04/57/79/500045779.db2.gz OPKJPXQUUZYOLO-HXUWFJFHSA-N 1 2 374.916 3.049 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425537225 500137212 /nfs/dbraw/zinc/13/72/12/500137212.db2.gz QCYNIGCFWNRMJL-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425537225 500137216 /nfs/dbraw/zinc/13/72/16/500137216.db2.gz QCYNIGCFWNRMJL-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425855529 500205310 /nfs/dbraw/zinc/20/53/10/500205310.db2.gz ZXMZXVAFWQNAIF-RVKKMQEKSA-N 1 2 360.889 3.420 20 30 FGEDLO N#CC1(C[NH2+]Cc2c(Br)cncc2Br)CCC1 ZINC000418143548 500236531 /nfs/dbraw/zinc/23/65/31/500236531.db2.gz QFADHGPBHZNEIN-UHFFFAOYSA-N 1 2 359.065 3.390 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000570520424 506185742 /nfs/dbraw/zinc/18/57/42/506185742.db2.gz XITGHQCIBZHOOQ-UHFFFAOYSA-N 1 2 370.840 3.438 20 30 FGEDLO N#CCCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000431445508 500378544 /nfs/dbraw/zinc/37/85/44/500378544.db2.gz NFNCOZOTYLUNIL-MOPGFXCFSA-N 1 2 363.465 3.395 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)nn1 ZINC000424291801 500482237 /nfs/dbraw/zinc/48/22/37/500482237.db2.gz FNHCTTXXSMJLKD-QAPCUYQASA-N 1 2 374.460 3.402 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000432562615 500533185 /nfs/dbraw/zinc/53/31/85/500533185.db2.gz MIGLBFMGLGZOTF-QGZVFWFLSA-N 1 2 356.470 3.420 20 30 FGEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nn1 ZINC000424680203 500541075 /nfs/dbraw/zinc/54/10/75/500541075.db2.gz BODQFTFZCQJKRI-OAHLLOKOSA-N 1 2 373.888 3.027 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccsc1 ZINC000421008384 500553347 /nfs/dbraw/zinc/55/33/47/500553347.db2.gz MFLQCWJNXWDZTI-AWEZNQCLSA-N 1 2 363.508 3.260 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccsc1 ZINC000421008384 500553350 /nfs/dbraw/zinc/55/33/50/500553350.db2.gz MFLQCWJNXWDZTI-AWEZNQCLSA-N 1 2 363.508 3.260 20 30 FGEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030463 500559743 /nfs/dbraw/zinc/55/97/43/500559743.db2.gz VTXNDSKMESCSAO-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030463 500559746 /nfs/dbraw/zinc/55/97/46/500559746.db2.gz VTXNDSKMESCSAO-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@](=O)C1 ZINC000433021418 500607919 /nfs/dbraw/zinc/60/79/19/500607919.db2.gz GLGLXCCAHHRZCK-MRDQGFSESA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@](=O)C1 ZINC000433021418 500607922 /nfs/dbraw/zinc/60/79/22/500607922.db2.gz GLGLXCCAHHRZCK-MRDQGFSESA-N 1 2 368.502 3.338 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1C#N ZINC000442812478 500628947 /nfs/dbraw/zinc/62/89/47/500628947.db2.gz RMLXLUQEBNLGAZ-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1C#N ZINC000442812478 500628949 /nfs/dbraw/zinc/62/89/49/500628949.db2.gz RMLXLUQEBNLGAZ-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO C=C[C@@H](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442841398 500633238 /nfs/dbraw/zinc/63/32/38/500633238.db2.gz MOIFYWNKIMLGCF-HTAPYJJXSA-N 1 2 372.509 3.269 20 30 FGEDLO COc1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)ccc1C#N ZINC000443058329 500670826 /nfs/dbraw/zinc/67/08/26/500670826.db2.gz KBOBUOPQHBEPGR-UHFFFAOYSA-N 1 2 357.211 3.240 20 30 FGEDLO COc1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)ccc1C#N ZINC000443058329 500670829 /nfs/dbraw/zinc/67/08/29/500670829.db2.gz KBOBUOPQHBEPGR-UHFFFAOYSA-N 1 2 357.211 3.240 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433325638 500672810 /nfs/dbraw/zinc/67/28/10/500672810.db2.gz JSPNJGVWKSBXGU-AWEZNQCLSA-N 1 2 351.878 3.047 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433325638 500672811 /nfs/dbraw/zinc/67/28/11/500672811.db2.gz JSPNJGVWKSBXGU-AWEZNQCLSA-N 1 2 351.878 3.047 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000447890349 500686162 /nfs/dbraw/zinc/68/61/62/500686162.db2.gz LBSGDXLZVMIFHP-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000447890349 500686163 /nfs/dbraw/zinc/68/61/63/500686163.db2.gz LBSGDXLZVMIFHP-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO C=CCCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000448014645 500708005 /nfs/dbraw/zinc/70/80/05/500708005.db2.gz UVVFZBRJVLNJLP-UHFFFAOYSA-N 1 2 365.275 3.213 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000448158215 500726205 /nfs/dbraw/zinc/72/62/05/500726205.db2.gz CVBWYDKNJRPFMQ-UHFFFAOYSA-N 1 2 356.416 3.143 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000448158215 500726207 /nfs/dbraw/zinc/72/62/07/500726207.db2.gz CVBWYDKNJRPFMQ-UHFFFAOYSA-N 1 2 356.416 3.143 20 30 FGEDLO C=CCN(Cc1cn2ccccc2[nH+]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438266785 500760608 /nfs/dbraw/zinc/76/06/08/500760608.db2.gz NHKBMNIAYTVFKH-HXUWFJFHSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434621816 500867527 /nfs/dbraw/zinc/86/75/27/500867527.db2.gz XOJOACMADCMOEE-SFHVURJKSA-N 1 2 357.425 3.189 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000434621816 500867529 /nfs/dbraw/zinc/86/75/29/500867529.db2.gz XOJOACMADCMOEE-SFHVURJKSA-N 1 2 357.425 3.189 20 30 FGEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434866010 500904122 /nfs/dbraw/zinc/90/41/22/500904122.db2.gz VCWJHLMPKUHQNE-RISCZKNCSA-N 1 2 359.426 3.224 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+](C2CC2)C2COC2)cc1OC ZINC000449351820 500984434 /nfs/dbraw/zinc/98/44/34/500984434.db2.gz RWWZNIRSVTWWLE-UHFFFAOYSA-N 1 2 368.271 3.386 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+](C2CC2)C2COC2)cc1OC ZINC000449351820 500984438 /nfs/dbraw/zinc/98/44/38/500984438.db2.gz RWWZNIRSVTWWLE-UHFFFAOYSA-N 1 2 368.271 3.386 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000596057179 506231602 /nfs/dbraw/zinc/23/16/02/506231602.db2.gz JIPUGLPOETVFDD-UHFFFAOYSA-N 1 2 359.836 3.025 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCCCC1 ZINC000449869292 501112809 /nfs/dbraw/zinc/11/28/09/501112809.db2.gz NGWPHFHWJPVUMP-UHFFFAOYSA-N 1 2 358.530 3.208 20 30 FGEDLO C[C@H](c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000450462858 501127586 /nfs/dbraw/zinc/12/75/86/501127586.db2.gz JXRIEJBIMFCTNI-MRXNPFEDSA-N 1 2 369.431 3.400 20 30 FGEDLO Cc1cccc([C@@H](CNc2nc3ncccc3cc2C#N)[NH+]2CCOCC2)c1 ZINC000596073659 506242177 /nfs/dbraw/zinc/24/21/77/506242177.db2.gz LCCQMCHOUZXNOO-HXUWFJFHSA-N 1 2 373.460 3.295 20 30 FGEDLO N#Cc1cc(Br)cnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000450307775 501230539 /nfs/dbraw/zinc/23/05/39/501230539.db2.gz HXGBVBLRYUQMRT-UHFFFAOYSA-N 1 2 360.137 3.087 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(C)(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000453147288 501278562 /nfs/dbraw/zinc/27/85/62/501278562.db2.gz QAMYCNZHXAAMMQ-QGZVFWFLSA-N 1 2 354.454 3.243 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(C)(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000453147288 501278565 /nfs/dbraw/zinc/27/85/65/501278565.db2.gz QAMYCNZHXAAMMQ-QGZVFWFLSA-N 1 2 354.454 3.243 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000453573265 501351215 /nfs/dbraw/zinc/35/12/15/501351215.db2.gz JMLNVEXNHBIZGU-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000453573265 501351217 /nfs/dbraw/zinc/35/12/17/501351217.db2.gz JMLNVEXNHBIZGU-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455981115 501431081 /nfs/dbraw/zinc/43/10/81/501431081.db2.gz GSHCGLKIWGDXOM-UHFFFAOYSA-N 1 2 359.433 3.088 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453960631 501433868 /nfs/dbraw/zinc/43/38/68/501433868.db2.gz CSOZCGSHKUIAQU-YOEHRIQHSA-N 1 2 366.465 3.496 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2[nH+]ccn21 ZINC000456389910 501515143 /nfs/dbraw/zinc/51/51/43/501515143.db2.gz QEIDQJVJJDMSHY-CZUORRHYSA-N 1 2 362.389 3.363 20 30 FGEDLO N#CCc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000456741790 501590755 /nfs/dbraw/zinc/59/07/55/501590755.db2.gz ZAQJBICWAYPXJN-IBGZPJMESA-N 1 2 351.475 3.481 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)no1 ZINC000459332205 501632622 /nfs/dbraw/zinc/63/26/22/501632622.db2.gz XEXLUSMJGPFOCC-AWEZNQCLSA-N 1 2 355.398 3.352 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)no1 ZINC000459332205 501632625 /nfs/dbraw/zinc/63/26/25/501632625.db2.gz XEXLUSMJGPFOCC-AWEZNQCLSA-N 1 2 355.398 3.352 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000474203488 501742225 /nfs/dbraw/zinc/74/22/25/501742225.db2.gz IJSFUHGQFHSLRX-QFIPXVFZSA-N 1 2 372.472 3.290 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470904295 501848441 /nfs/dbraw/zinc/84/84/41/501848441.db2.gz TYRAZTGDJWHOBK-KDOFPFPSSA-N 1 2 361.873 3.086 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470904295 501848444 /nfs/dbraw/zinc/84/84/44/501848444.db2.gz TYRAZTGDJWHOBK-KDOFPFPSSA-N 1 2 361.873 3.086 20 30 FGEDLO N#CCC[N@H+](CCCOc1ccc2ccccc2c1)CCN1CCOCC1 ZINC000471234975 501962641 /nfs/dbraw/zinc/96/26/41/501962641.db2.gz MYLVOGNSJMMLOV-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO N#CCC[N@@H+](CCCOc1ccc2ccccc2c1)CCN1CCOCC1 ZINC000471234975 501962648 /nfs/dbraw/zinc/96/26/48/501962648.db2.gz MYLVOGNSJMMLOV-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO N#CCCN(CCCOc1ccc2ccccc2c1)CC[NH+]1CCOCC1 ZINC000471234975 501962652 /nfs/dbraw/zinc/96/26/52/501962652.db2.gz MYLVOGNSJMMLOV-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO C=CCN(CCOC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000478435455 501981414 /nfs/dbraw/zinc/98/14/14/501981414.db2.gz ZHKWJOWKLNKPAN-CQSZACIVSA-N 1 2 352.504 3.041 20 30 FGEDLO C=CCN(CCOC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000478435455 501981419 /nfs/dbraw/zinc/98/14/19/501981419.db2.gz ZHKWJOWKLNKPAN-CQSZACIVSA-N 1 2 352.504 3.041 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)cs1 ZINC000468707591 502154193 /nfs/dbraw/zinc/15/41/93/502154193.db2.gz PVWAKDLWJMDTKH-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)cs1 ZINC000468707591 502154200 /nfs/dbraw/zinc/15/42/00/502154200.db2.gz PVWAKDLWJMDTKH-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000472127948 502241972 /nfs/dbraw/zinc/24/19/72/502241972.db2.gz KQHFWCKRAYFCRU-LJQANCHMSA-N 1 2 350.466 3.448 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000465407126 502252790 /nfs/dbraw/zinc/25/27/90/502252790.db2.gz QQAVWUYUDYUMLP-CYBMUJFWSA-N 1 2 353.451 3.035 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000465407126 502252798 /nfs/dbraw/zinc/25/27/98/502252798.db2.gz QQAVWUYUDYUMLP-CYBMUJFWSA-N 1 2 353.451 3.035 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483235236 502322121 /nfs/dbraw/zinc/32/21/21/502322121.db2.gz SLENHNKMIXHXNY-HNNXBMFYSA-N 1 2 364.232 3.127 20 30 FGEDLO C[N@H+](CCOc1ccccc1C(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000483331949 502352083 /nfs/dbraw/zinc/35/20/83/502352083.db2.gz ABYJFNFGJYTUAY-HXUWFJFHSA-N 1 2 365.477 3.393 20 30 FGEDLO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000483331949 502352092 /nfs/dbraw/zinc/35/20/92/502352092.db2.gz ABYJFNFGJYTUAY-HXUWFJFHSA-N 1 2 365.477 3.393 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479729635 502358056 /nfs/dbraw/zinc/35/80/56/502358056.db2.gz MLJDPDAIPYDMDB-LJQANCHMSA-N 1 2 356.470 3.085 20 30 FGEDLO Cc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000479855811 502398855 /nfs/dbraw/zinc/39/88/55/502398855.db2.gz ZCTSRACLDQNVCD-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cn1ncc(Br)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000487328941 502418758 /nfs/dbraw/zinc/41/87/58/502418758.db2.gz WOOHIVBTVNUJNP-UHFFFAOYSA-N 1 2 372.188 3.343 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000476230742 502422287 /nfs/dbraw/zinc/42/22/87/502422287.db2.gz KLWYHEVHVDCXLR-INIZCTEOSA-N 1 2 357.433 3.278 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCOCC1 ZINC000462467293 502450555 /nfs/dbraw/zinc/45/05/55/502450555.db2.gz ZNLOGFJWPXLKAX-BEFAXECRSA-N 1 2 366.465 3.162 20 30 FGEDLO COc1cccc(C=C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000472929137 502474583 /nfs/dbraw/zinc/47/45/83/502474583.db2.gz HWVXFKGMMNOSDT-NRFANRHFSA-N 1 2 355.482 3.229 20 30 FGEDLO CCN(C)c1ccc(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)c[nH+]1 ZINC000480306401 502532313 /nfs/dbraw/zinc/53/23/13/502532313.db2.gz HSPALZLSEOAFFY-UHFFFAOYSA-N 1 2 366.856 3.282 20 30 FGEDLO O=C(Cc1ccccc1Cl)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484092179 502567137 /nfs/dbraw/zinc/56/71/37/502567137.db2.gz HUJPYJVLFXWEPV-UHFFFAOYSA-N 1 2 352.865 3.078 20 30 FGEDLO CN(C)c1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c[nH+]1 ZINC000487967577 502583926 /nfs/dbraw/zinc/58/39/26/502583926.db2.gz LFGWRUMAUOIRRL-UHFFFAOYSA-N 1 2 374.242 3.103 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000469977548 502615378 /nfs/dbraw/zinc/61/53/78/502615378.db2.gz VIQDMKVQFQUTBM-UHFFFAOYSA-N 1 2 350.466 3.288 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000484578880 502675701 /nfs/dbraw/zinc/67/57/01/502675701.db2.gz ZVXCCYLJNXUBID-UHFFFAOYSA-N 1 2 359.495 3.115 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000484578880 502675707 /nfs/dbraw/zinc/67/57/07/502675707.db2.gz ZVXCCYLJNXUBID-UHFFFAOYSA-N 1 2 359.495 3.115 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2cccc(F)c2C#N)c1)[NH+]1CCOCC1 ZINC000488309329 502682265 /nfs/dbraw/zinc/68/22/65/502682265.db2.gz FFFOZFGRBYMLRA-CQSZACIVSA-N 1 2 353.397 3.343 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000488337433 502687892 /nfs/dbraw/zinc/68/78/92/502687892.db2.gz JEXYWJFPTLJQLH-LHSJRXKWSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000488337433 502687899 /nfs/dbraw/zinc/68/78/99/502687899.db2.gz JEXYWJFPTLJQLH-LHSJRXKWSA-N 1 2 360.392 3.152 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866649 506331011 /nfs/dbraw/zinc/33/10/11/506331011.db2.gz WYXDKSRZIXNKQL-FRRDWIJNSA-N 1 2 369.296 3.239 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866649 506331017 /nfs/dbraw/zinc/33/10/17/506331017.db2.gz WYXDKSRZIXNKQL-FRRDWIJNSA-N 1 2 369.296 3.239 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481230746 502790913 /nfs/dbraw/zinc/79/09/13/502790913.db2.gz CZGGLXSWAKEGIS-QGZVFWFLSA-N 1 2 352.482 3.044 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000481267691 502801565 /nfs/dbraw/zinc/80/15/65/502801565.db2.gz HIYGWEWCIJIISQ-QUCCMNQESA-N 1 2 357.498 3.295 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000481267691 502801569 /nfs/dbraw/zinc/80/15/69/502801569.db2.gz HIYGWEWCIJIISQ-QUCCMNQESA-N 1 2 357.498 3.295 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000488818257 502818745 /nfs/dbraw/zinc/81/87/45/502818745.db2.gz GUCMOVIKCAPYQF-MOPGFXCFSA-N 1 2 373.884 3.129 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000488818257 502818748 /nfs/dbraw/zinc/81/87/48/502818748.db2.gz GUCMOVIKCAPYQF-MOPGFXCFSA-N 1 2 373.884 3.129 20 30 FGEDLO Cc1ccnc2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000505163571 502861987 /nfs/dbraw/zinc/86/19/87/502861987.db2.gz FOJQPVVEGDQORZ-UHFFFAOYSA-N 1 2 370.456 3.373 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513372209 502917641 /nfs/dbraw/zinc/91/76/41/502917641.db2.gz SBZQHFAOXNHRBQ-INIZCTEOSA-N 1 2 366.440 3.237 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513372209 502917643 /nfs/dbraw/zinc/91/76/43/502917643.db2.gz SBZQHFAOXNHRBQ-INIZCTEOSA-N 1 2 366.440 3.237 20 30 FGEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000489495041 502972285 /nfs/dbraw/zinc/97/22/85/502972285.db2.gz HYUQLIUIWGYWCE-AWEZNQCLSA-N 1 2 358.301 3.263 20 30 FGEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000489495041 502972290 /nfs/dbraw/zinc/97/22/90/502972290.db2.gz HYUQLIUIWGYWCE-AWEZNQCLSA-N 1 2 358.301 3.263 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(F)cn3)CC2)c(C#N)c1C ZINC000602904185 506345136 /nfs/dbraw/zinc/34/51/36/506345136.db2.gz NFXMXBXVPAXSLB-UHFFFAOYSA-N 1 2 356.401 3.120 20 30 FGEDLO Cc1cccc(C)c1OCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513676441 502998021 /nfs/dbraw/zinc/99/80/21/502998021.db2.gz FIPNGMGVDOCGRZ-JTSKRJEESA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1cccc(C)c1OCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513676441 502998024 /nfs/dbraw/zinc/99/80/24/502998024.db2.gz FIPNGMGVDOCGRZ-JTSKRJEESA-N 1 2 361.445 3.028 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000497619167 503001990 /nfs/dbraw/zinc/00/19/90/503001990.db2.gz IPNOIYBKZOAULL-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000513784682 503021741 /nfs/dbraw/zinc/02/17/41/503021741.db2.gz WUKWKZLCFDMPRO-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000513784682 503021746 /nfs/dbraw/zinc/02/17/46/503021746.db2.gz WUKWKZLCFDMPRO-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC[N@H+](CC(=O)NCCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000509984735 503023404 /nfs/dbraw/zinc/02/34/04/503023404.db2.gz WEWIPMODFBMJEI-UHFFFAOYSA-N 1 2 355.869 3.392 20 30 FGEDLO CC[N@@H+](CC(=O)NCCc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000509984735 503023406 /nfs/dbraw/zinc/02/34/06/503023406.db2.gz WEWIPMODFBMJEI-UHFFFAOYSA-N 1 2 355.869 3.392 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC000506000283 503027120 /nfs/dbraw/zinc/02/71/20/503027120.db2.gz ZFALPWJRKOAGQO-UHFFFAOYSA-N 1 2 374.419 3.290 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000513827631 503032569 /nfs/dbraw/zinc/03/25/69/503032569.db2.gz SNJFJDUIVPCQTG-HOTGVXAUSA-N 1 2 357.454 3.271 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000513827631 503032571 /nfs/dbraw/zinc/03/25/71/503032571.db2.gz SNJFJDUIVPCQTG-HOTGVXAUSA-N 1 2 357.454 3.271 20 30 FGEDLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000506123978 503053277 /nfs/dbraw/zinc/05/32/77/503053277.db2.gz UCGYHYIHFOWAER-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000506123978 503053281 /nfs/dbraw/zinc/05/32/81/503053281.db2.gz UCGYHYIHFOWAER-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4c(F)cc(F)cc4C3)C2=O)cc1 ZINC000489966077 503077973 /nfs/dbraw/zinc/07/79/73/503077973.db2.gz NPUXRGQGYJCBBW-FQEVSTJZSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4c(F)cc(F)cc4C3)C2=O)cc1 ZINC000489966077 503077977 /nfs/dbraw/zinc/07/79/77/503077977.db2.gz NPUXRGQGYJCBBW-FQEVSTJZSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510918700 503217221 /nfs/dbraw/zinc/21/72/21/503217221.db2.gz GAYOFGFZXRSENE-LBPRGKRZSA-N 1 2 373.806 3.492 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510918700 503217223 /nfs/dbraw/zinc/21/72/23/503217223.db2.gz GAYOFGFZXRSENE-LBPRGKRZSA-N 1 2 373.806 3.492 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000510921982 503218200 /nfs/dbraw/zinc/21/82/00/503218200.db2.gz QFHCTYNERSKFLC-AWEZNQCLSA-N 1 2 355.335 3.138 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922132 503218422 /nfs/dbraw/zinc/21/84/22/503218422.db2.gz RXNFSFXORCJIMO-NSHDSACASA-N 1 2 354.223 3.104 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502534300 503219662 /nfs/dbraw/zinc/21/96/62/503219662.db2.gz MFTJGGMELLDNCP-IBGZPJMESA-N 1 2 374.469 3.386 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502534300 503219666 /nfs/dbraw/zinc/21/96/66/503219666.db2.gz MFTJGGMELLDNCP-IBGZPJMESA-N 1 2 374.469 3.386 20 30 FGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cn2ccccc2[nH+]1 ZINC000507117663 503234753 /nfs/dbraw/zinc/23/47/53/503234753.db2.gz VKTPBILGIVHSFN-UHFFFAOYSA-N 1 2 365.343 3.390 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000599178899 506361110 /nfs/dbraw/zinc/36/11/10/506361110.db2.gz MLHOYYDKDQSAET-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319455 503276089 /nfs/dbraw/zinc/27/60/89/503276089.db2.gz OSEUFMQDLIXMFJ-GOSISDBHSA-N 1 2 374.488 3.048 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(Br)cn1 ZINC000491283911 503293994 /nfs/dbraw/zinc/29/39/94/503293994.db2.gz LOAKMOSSEGZTOZ-UHFFFAOYSA-N 1 2 364.243 3.106 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(Br)cn1 ZINC000491283911 503293998 /nfs/dbraw/zinc/29/39/98/503293998.db2.gz LOAKMOSSEGZTOZ-UHFFFAOYSA-N 1 2 364.243 3.106 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491980104 503341819 /nfs/dbraw/zinc/34/18/19/503341819.db2.gz PZZSTWIDTMNNIA-UHFFFAOYSA-N 1 2 372.432 3.418 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000515539480 503360589 /nfs/dbraw/zinc/36/05/89/503360589.db2.gz RAPRXAXCEFXTAL-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000507783672 503364849 /nfs/dbraw/zinc/36/48/49/503364849.db2.gz FLYFTPLKUQTZSP-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000492634855 503378783 /nfs/dbraw/zinc/37/87/83/503378783.db2.gz ZWMISTPCTGLSKG-IBGZPJMESA-N 1 2 359.433 3.209 20 30 FGEDLO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492937093 503395027 /nfs/dbraw/zinc/39/50/27/503395027.db2.gz PTGZQWQRBOANNL-SFHVURJKSA-N 1 2 360.417 3.327 20 30 FGEDLO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492937093 503395031 /nfs/dbraw/zinc/39/50/31/503395031.db2.gz PTGZQWQRBOANNL-SFHVURJKSA-N 1 2 360.417 3.327 20 30 FGEDLO Cc1cc(N[C@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)cc(C#N)n1 ZINC000515772072 503398505 /nfs/dbraw/zinc/39/85/05/503398505.db2.gz IYWMAQQRQHRQAS-AWEZNQCLSA-N 1 2 365.387 3.252 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C ZINC000499672731 503454552 /nfs/dbraw/zinc/45/45/52/503454552.db2.gz TUABOEMXXZPGTF-HNNXBMFYSA-N 1 2 353.422 3.005 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000504055352 503516263 /nfs/dbraw/zinc/51/62/63/503516263.db2.gz LBLATRIAHJSMNE-UHFFFAOYSA-N 1 2 374.444 3.246 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023201 503534999 /nfs/dbraw/zinc/53/49/99/503534999.db2.gz GVNSZKJQHRIFEE-GDBMZVCRSA-N 1 2 363.889 3.003 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023201 503535001 /nfs/dbraw/zinc/53/50/01/503535001.db2.gz GVNSZKJQHRIFEE-GDBMZVCRSA-N 1 2 363.889 3.003 20 30 FGEDLO C[C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516684855 503568253 /nfs/dbraw/zinc/56/82/53/503568253.db2.gz NIEHEXMJLUZTEJ-YLJYHZDGSA-N 1 2 354.498 3.212 20 30 FGEDLO CCn1cc(C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cn1 ZINC000593078727 506380477 /nfs/dbraw/zinc/38/04/77/506380477.db2.gz CWRHSZGSYBSGLO-UHFFFAOYSA-N 1 2 359.861 3.277 20 30 FGEDLO CCn1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)C)cn1 ZINC000593078727 506380487 /nfs/dbraw/zinc/38/04/87/506380487.db2.gz CWRHSZGSYBSGLO-UHFFFAOYSA-N 1 2 359.861 3.277 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841601 503643221 /nfs/dbraw/zinc/64/32/21/503643221.db2.gz USINBQZRXFCYFA-CYBMUJFWSA-N 1 2 356.438 3.464 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512841601 503643224 /nfs/dbraw/zinc/64/32/24/503643224.db2.gz USINBQZRXFCYFA-CYBMUJFWSA-N 1 2 356.438 3.464 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)s3)CC2)cc1 ZINC000512928387 503657955 /nfs/dbraw/zinc/65/79/55/503657955.db2.gz HHVMYBVMPJDZGM-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000536743102 503707114 /nfs/dbraw/zinc/70/71/14/503707114.db2.gz NLTNPBVIRCXFNO-UHFFFAOYSA-N 1 2 358.423 3.307 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000536743102 503707117 /nfs/dbraw/zinc/70/71/17/503707117.db2.gz NLTNPBVIRCXFNO-UHFFFAOYSA-N 1 2 358.423 3.307 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CCC1 ZINC000527378096 503782627 /nfs/dbraw/zinc/78/26/27/503782627.db2.gz LLYRYBUXLUEMRE-NSHDSACASA-N 1 2 368.300 3.210 20 30 FGEDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000537028024 503781888 /nfs/dbraw/zinc/78/18/88/503781888.db2.gz AZMUDNAQBRKSPR-ZDUSSCGKSA-N 1 2 361.405 3.417 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)s2)CCC1 ZINC000527378096 503782622 /nfs/dbraw/zinc/78/26/22/503782622.db2.gz LLYRYBUXLUEMRE-NSHDSACASA-N 1 2 368.300 3.210 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)c1C#N ZINC000537088501 503798032 /nfs/dbraw/zinc/79/80/32/503798032.db2.gz MLVWCMMSRNEDEZ-LBPRGKRZSA-N 1 2 372.396 3.352 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000537135123 503814654 /nfs/dbraw/zinc/81/46/54/503814654.db2.gz HQDABGLRGSYBHL-UHFFFAOYSA-N 1 2 366.465 3.208 20 30 FGEDLO Cn1cc([C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)cn1 ZINC000537175059 503828356 /nfs/dbraw/zinc/82/83/56/503828356.db2.gz PWGVYNHPAHYNDQ-KRWDZBQOSA-N 1 2 350.426 3.219 20 30 FGEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)o1 ZINC000527577884 503840277 /nfs/dbraw/zinc/84/02/77/503840277.db2.gz NCJKCPCAUSAGJQ-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000540693505 503857763 /nfs/dbraw/zinc/85/77/63/503857763.db2.gz IEQRDYLQWXNRTP-IBGZPJMESA-N 1 2 356.429 3.495 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000533478516 503859415 /nfs/dbraw/zinc/85/94/15/503859415.db2.gz JBIMGTNYFBQZAT-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000533478516 503859421 /nfs/dbraw/zinc/85/94/21/503859421.db2.gz JBIMGTNYFBQZAT-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000533494128 503864422 /nfs/dbraw/zinc/86/44/22/503864422.db2.gz BADKHXPTZJUDRC-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3Cc4c3cccc4Cl)CC2)cc1 ZINC000527688758 503896348 /nfs/dbraw/zinc/89/63/48/503896348.db2.gz RWEIOJHWSOACNZ-IBGZPJMESA-N 1 2 365.864 3.196 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540886262 503924997 /nfs/dbraw/zinc/92/49/97/503924997.db2.gz PHVOVBAQPJVKLV-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(Br)c3)CC2)n1 ZINC000546916527 503925708 /nfs/dbraw/zinc/92/57/08/503925708.db2.gz LCRHOBKBTNGKPL-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1Cl ZINC000546973424 503943011 /nfs/dbraw/zinc/94/30/11/503943011.db2.gz VUZLBDFGGHREST-UHFFFAOYSA-N 1 2 362.836 3.156 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC000537547771 503949463 /nfs/dbraw/zinc/94/94/63/503949463.db2.gz ZMEMOKNSMJFTDL-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000534580574 504182930 /nfs/dbraw/zinc/18/29/30/504182930.db2.gz GSHBUYWWBSOSDJ-INIZCTEOSA-N 1 2 365.905 3.321 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000538273222 504183939 /nfs/dbraw/zinc/18/39/39/504183939.db2.gz BMOAEKXZGWAAAA-INIZCTEOSA-N 1 2 369.440 3.305 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000541604545 504196287 /nfs/dbraw/zinc/19/62/87/504196287.db2.gz JWOVOHFXXKFTER-UHFFFAOYSA-N 1 2 356.735 3.243 20 30 FGEDLO C=CCN(CC=C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544778705 504254661 /nfs/dbraw/zinc/25/46/61/504254661.db2.gz TXLWTMCTWPPMGT-UHFFFAOYSA-N 1 2 363.259 3.289 20 30 FGEDLO N#Cc1cnc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(Cl)c1 ZINC000539015833 504447095 /nfs/dbraw/zinc/44/70/95/504447095.db2.gz JNVVIUXJVKFZNB-UHFFFAOYSA-N 1 2 369.856 3.312 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000539028838 504451001 /nfs/dbraw/zinc/45/10/01/504451001.db2.gz HNDDNNMICSKBCY-QZTJIDSGSA-N 1 2 363.889 3.072 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000539028838 504451007 /nfs/dbraw/zinc/45/10/07/504451007.db2.gz HNDDNNMICSKBCY-QZTJIDSGSA-N 1 2 363.889 3.072 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N2CCC(Nc3cccc[nH+]3)CC2)c(C#N)c1C ZINC000535572082 504473438 /nfs/dbraw/zinc/47/34/38/504473438.db2.gz OYBWWJMZSDIJLH-AWEZNQCLSA-N 1 2 367.453 3.067 20 30 FGEDLO CC(C)c1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000545478524 504501823 /nfs/dbraw/zinc/50/18/23/504501823.db2.gz JUZVJVXHSITLCB-UHFFFAOYSA-N 1 2 350.470 3.317 20 30 FGEDLO C=CC[C@@H](CO)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000539323676 504530822 /nfs/dbraw/zinc/53/08/22/504530822.db2.gz LLUUPIQMAIHBJK-MRXNPFEDSA-N 1 2 355.482 3.385 20 30 FGEDLO C=CCCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000520835022 504592515 /nfs/dbraw/zinc/59/25/15/504592515.db2.gz VNPXTJNPZSBWRW-MRXNPFEDSA-N 1 2 351.516 3.167 20 30 FGEDLO Cc1ccccc1-c1cnc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000536021057 504610684 /nfs/dbraw/zinc/61/06/84/504610684.db2.gz ZCLWUZPUZCGEST-MRXNPFEDSA-N 1 2 374.448 3.022 20 30 FGEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000536021057 504610688 /nfs/dbraw/zinc/61/06/88/504610688.db2.gz ZCLWUZPUZCGEST-MRXNPFEDSA-N 1 2 374.448 3.022 20 30 FGEDLO C=CCN(c1ccccc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539779646 504684469 /nfs/dbraw/zinc/68/44/69/504684469.db2.gz ZSMKCTCOEACFPD-UHFFFAOYSA-N 1 2 353.447 3.313 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000532575406 504697576 /nfs/dbraw/zinc/69/75/76/504697576.db2.gz NINZHHDAEZIJGB-FQEVSTJZSA-N 1 2 355.482 3.146 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000521271979 504698051 /nfs/dbraw/zinc/69/80/51/504698051.db2.gz PTWAFFUQHQFEHR-KRWDZBQOSA-N 1 2 357.408 3.087 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000521271981 504698222 /nfs/dbraw/zinc/69/82/22/504698222.db2.gz PTWAFFUQHQFEHR-QGZVFWFLSA-N 1 2 357.408 3.087 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cnccc2C#N)CC1 ZINC000562332487 504786694 /nfs/dbraw/zinc/78/66/94/504786694.db2.gz HBIPMFBUSDIBQN-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)o2)c1 ZINC000565140813 504806505 /nfs/dbraw/zinc/80/65/05/504806505.db2.gz VSUZAWFIISDYPX-UHFFFAOYSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)o2)c1 ZINC000565140813 504806509 /nfs/dbraw/zinc/80/65/09/504806509.db2.gz VSUZAWFIISDYPX-UHFFFAOYSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000559290146 504821626 /nfs/dbraw/zinc/82/16/26/504821626.db2.gz KDSRUVVOCPZPRI-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)nc1 ZINC000559290146 504821630 /nfs/dbraw/zinc/82/16/30/504821630.db2.gz KDSRUVVOCPZPRI-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562609389 504877725 /nfs/dbraw/zinc/87/77/25/504877725.db2.gz OQRZKUPHLCIDFN-JOYOIKCWSA-N 1 2 365.315 3.481 20 30 FGEDLO Cc1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000556624955 504924960 /nfs/dbraw/zinc/92/49/60/504924960.db2.gz RMFWKMPUYUQBCM-GOSISDBHSA-N 1 2 350.422 3.188 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000562767162 504937935 /nfs/dbraw/zinc/93/79/35/504937935.db2.gz JIPSKOFECUMNBR-UHFFFAOYSA-N 1 2 355.388 3.117 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000562767162 504937941 /nfs/dbraw/zinc/93/79/41/504937941.db2.gz JIPSKOFECUMNBR-UHFFFAOYSA-N 1 2 355.388 3.117 20 30 FGEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554269801 505130153 /nfs/dbraw/zinc/13/01/53/505130153.db2.gz INCLZLILDNFBFA-LLVKDONJSA-N 1 2 352.276 3.056 20 30 FGEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000554269801 505130156 /nfs/dbraw/zinc/13/01/56/505130156.db2.gz INCLZLILDNFBFA-LLVKDONJSA-N 1 2 352.276 3.056 20 30 FGEDLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000566409791 505167308 /nfs/dbraw/zinc/16/73/08/505167308.db2.gz MKMCVPSWWFVGNM-SECBINFHSA-N 1 2 361.858 3.096 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563641042 505199684 /nfs/dbraw/zinc/19/96/84/505199684.db2.gz XMCJTDUXGBMKGN-HZPDHXFCSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563641042 505199688 /nfs/dbraw/zinc/19/96/88/505199688.db2.gz XMCJTDUXGBMKGN-HZPDHXFCSA-N 1 2 364.852 3.217 20 30 FGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000554635232 505229346 /nfs/dbraw/zinc/22/93/46/505229346.db2.gz KRQUSDMJLOMCAB-UHFFFAOYSA-N 1 2 363.868 3.141 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 ZINC000551708439 505288326 /nfs/dbraw/zinc/28/83/26/505288326.db2.gz SBRMFHBMZRIVLX-UHFFFAOYSA-N 1 2 361.361 3.295 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1C#N ZINC000567202344 505393560 /nfs/dbraw/zinc/39/35/60/505393560.db2.gz KQOOTIPNPDCRQI-UHFFFAOYSA-N 1 2 364.421 3.247 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555550442 505454133 /nfs/dbraw/zinc/45/41/33/505454133.db2.gz TVJXGGQHBBQWAN-AZUAARDMSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000555550442 505454135 /nfs/dbraw/zinc/45/41/35/505454135.db2.gz TVJXGGQHBBQWAN-AZUAARDMSA-N 1 2 360.498 3.099 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cc1c(F)cccc1C#N)CCCC2 ZINC000552506957 505505064 /nfs/dbraw/zinc/50/50/64/505505064.db2.gz UCKZYTVFJWQJJS-LJQANCHMSA-N 1 2 366.440 3.216 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1C#N ZINC000599280405 506395561 /nfs/dbraw/zinc/39/55/61/506395561.db2.gz BENHBNUKDITVRE-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000588981055 506404416 /nfs/dbraw/zinc/40/44/16/506404416.db2.gz BFJUYHLCADGENS-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000588981055 506404422 /nfs/dbraw/zinc/40/44/22/506404422.db2.gz BFJUYHLCADGENS-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2c1 ZINC000612158494 506465173 /nfs/dbraw/zinc/46/51/73/506465173.db2.gz MAKXOTYQLHVOLF-QFIPXVFZSA-N 1 2 365.477 3.432 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2c1 ZINC000612158494 506465179 /nfs/dbraw/zinc/46/51/79/506465179.db2.gz MAKXOTYQLHVOLF-QFIPXVFZSA-N 1 2 365.477 3.432 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc(OC)c1OCC(F)F ZINC000589173142 506470571 /nfs/dbraw/zinc/47/05/71/506470571.db2.gz GIEINMUTYPZLFX-GOSISDBHSA-N 1 2 354.397 3.473 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc(OC)c1OCC(F)F ZINC000589173142 506470574 /nfs/dbraw/zinc/47/05/74/506470574.db2.gz GIEINMUTYPZLFX-GOSISDBHSA-N 1 2 354.397 3.473 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195958 506480132 /nfs/dbraw/zinc/48/01/32/506480132.db2.gz QEFUTLDRQQNVNG-MSOLQXFVSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195958 506480137 /nfs/dbraw/zinc/48/01/37/506480137.db2.gz QEFUTLDRQQNVNG-MSOLQXFVSA-N 1 2 355.825 3.092 20 30 FGEDLO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c([N+](=O)[O-])cc1F ZINC000599677325 506571876 /nfs/dbraw/zinc/57/18/76/506571876.db2.gz FBPLWSQFDGRMCZ-UHFFFAOYSA-N 1 2 355.369 3.367 20 30 FGEDLO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c([N+](=O)[O-])cc1F ZINC000599677325 506571886 /nfs/dbraw/zinc/57/18/86/506571886.db2.gz FBPLWSQFDGRMCZ-UHFFFAOYSA-N 1 2 355.369 3.367 20 30 FGEDLO N#CC1(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCC1 ZINC000593427903 506615377 /nfs/dbraw/zinc/61/53/77/506615377.db2.gz ZQKHHNRVHJUDGE-RMKNXTFCSA-N 1 2 352.482 3.111 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000596842501 506631190 /nfs/dbraw/zinc/63/11/90/506631190.db2.gz MZXXEZIZTGWGAW-AWEZNQCLSA-N 1 2 363.446 3.072 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)s2)cc1 ZINC000596842501 506631191 /nfs/dbraw/zinc/63/11/91/506631191.db2.gz MZXXEZIZTGWGAW-AWEZNQCLSA-N 1 2 363.446 3.072 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276973 506770885 /nfs/dbraw/zinc/77/08/85/506770885.db2.gz ZRTLUFGREAMOQX-NTZNESFSSA-N 1 2 373.341 3.104 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276973 506770889 /nfs/dbraw/zinc/77/08/89/506770889.db2.gz ZRTLUFGREAMOQX-NTZNESFSSA-N 1 2 373.341 3.104 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000609096597 506773916 /nfs/dbraw/zinc/77/39/16/506773916.db2.gz QZCPBXFXNYZPIY-HXUWFJFHSA-N 1 2 357.417 3.351 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000609130904 506786172 /nfs/dbraw/zinc/78/61/72/506786172.db2.gz BHIPJNYRDRIOJE-CQSZACIVSA-N 1 2 367.478 3.226 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000597128104 506790787 /nfs/dbraw/zinc/79/07/87/506790787.db2.gz UCGCAFZYZRAZBW-UHFFFAOYSA-N 1 2 363.421 3.195 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597175418 506814476 /nfs/dbraw/zinc/81/44/76/506814476.db2.gz AYNCUVQSUNAQAH-INIZCTEOSA-N 1 2 352.438 3.175 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175418 506814482 /nfs/dbraw/zinc/81/44/82/506814482.db2.gz AYNCUVQSUNAQAH-INIZCTEOSA-N 1 2 352.438 3.175 20 30 FGEDLO C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC000583502771 506815345 /nfs/dbraw/zinc/81/53/45/506815345.db2.gz DMSQXYOBAFOWJH-HNNXBMFYSA-N 1 2 365.437 3.056 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000597177596 506817276 /nfs/dbraw/zinc/81/72/76/506817276.db2.gz PZFOFXPKGNRCPH-ZDUSSCGKSA-N 1 2 360.259 3.155 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000597177596 506817280 /nfs/dbraw/zinc/81/72/80/506817280.db2.gz PZFOFXPKGNRCPH-ZDUSSCGKSA-N 1 2 360.259 3.155 20 30 FGEDLO CCn1nc(C[NH+]2CCN(c3ccsc3C#N)CC2)c2ccccc21 ZINC000597182499 506820631 /nfs/dbraw/zinc/82/06/31/506820631.db2.gz CWRURZRFJAAREA-UHFFFAOYSA-N 1 2 351.479 3.312 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 ZINC000597204016 506832360 /nfs/dbraw/zinc/83/23/60/506832360.db2.gz ZHCBUBQMWQSPNA-UHFFFAOYSA-N 1 2 374.473 3.204 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C)cc1C ZINC000604493397 506850008 /nfs/dbraw/zinc/85/00/08/506850008.db2.gz KSQIUTSVCLVJSU-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C)cc1C ZINC000604493397 506850011 /nfs/dbraw/zinc/85/00/11/506850011.db2.gz KSQIUTSVCLVJSU-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000583613241 506877555 /nfs/dbraw/zinc/87/75/55/506877555.db2.gz KZAFWPNGWNELJT-HNNXBMFYSA-N 1 2 357.504 3.442 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000583613241 506877558 /nfs/dbraw/zinc/87/75/58/506877558.db2.gz KZAFWPNGWNELJT-HNNXBMFYSA-N 1 2 357.504 3.442 20 30 FGEDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCCCC1 ZINC000594053534 506909258 /nfs/dbraw/zinc/90/92/58/506909258.db2.gz CBSNTSQBECPSMO-FUHWJXTLSA-N 1 2 366.465 3.279 20 30 FGEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)c2ccccc2n1 ZINC000590737921 506932206 /nfs/dbraw/zinc/93/22/06/506932206.db2.gz ZQLXSXKQNYTNCU-UHFFFAOYSA-N 1 2 362.433 3.038 20 30 FGEDLO Cc1ccc(OCC(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609822826 507014641 /nfs/dbraw/zinc/01/46/41/507014641.db2.gz GOYHGQHUKSWIEW-GOSISDBHSA-N 1 2 363.461 3.151 20 30 FGEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000609921281 507050601 /nfs/dbraw/zinc/05/06/01/507050601.db2.gz GETGVLLATSZVAH-CJNGLKHVSA-N 1 2 364.287 3.204 20 30 FGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000590961701 507063351 /nfs/dbraw/zinc/06/33/51/507063351.db2.gz IYLOOUQXZCRDAT-RISCZKNCSA-N 1 2 351.244 3.392 20 30 FGEDLO Cc1csc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C#N ZINC000583942802 507062907 /nfs/dbraw/zinc/06/29/07/507062907.db2.gz PCJLHQBTFMKUPH-UHFFFAOYSA-N 1 2 370.478 3.157 20 30 FGEDLO N#Cc1cccc(OC2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000610019812 507075059 /nfs/dbraw/zinc/07/50/59/507075059.db2.gz UVQHQYFGADGCGP-UHFFFAOYSA-N 1 2 361.405 3.281 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000613418399 507078048 /nfs/dbraw/zinc/07/80/48/507078048.db2.gz NFSRBGVIEBKJDS-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000613418399 507078050 /nfs/dbraw/zinc/07/80/50/507078050.db2.gz NFSRBGVIEBKJDS-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)c2ccc(Br)cc2)CC1 ZINC000600746981 507096470 /nfs/dbraw/zinc/09/64/70/507096470.db2.gz VJEIJDCSFPQHNO-CYBMUJFWSA-N 1 2 359.214 3.185 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000584002631 507097694 /nfs/dbraw/zinc/09/76/94/507097694.db2.gz HAXGCIOQHDCNNW-DZGCQCFKSA-N 1 2 356.451 3.301 20 30 FGEDLO CC(C)(C#N)c1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000594505254 507159893 /nfs/dbraw/zinc/15/98/93/507159893.db2.gz RYXMAVKVCUMFMZ-UHFFFAOYSA-N 1 2 350.466 3.456 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304381 507184839 /nfs/dbraw/zinc/18/48/39/507184839.db2.gz XOGWUCTXQYKFPH-APWZRJJASA-N 1 2 374.444 3.159 20 30 FGEDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610347256 507204108 /nfs/dbraw/zinc/20/41/08/507204108.db2.gz GRQHXFWYAQUZIT-HNAYVOBHSA-N 1 2 359.433 3.442 20 30 FGEDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000610349214 507206247 /nfs/dbraw/zinc/20/62/47/507206247.db2.gz YXYGKTIXVLKCEX-CQSZACIVSA-N 1 2 363.396 3.443 20 30 FGEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@H](C)CO1 ZINC000597998765 507211140 /nfs/dbraw/zinc/21/11/40/507211140.db2.gz QTPPGAFRGHSSPC-IAGOWNOFSA-N 1 2 363.461 3.064 20 30 FGEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@H](C)CO1 ZINC000597998765 507211147 /nfs/dbraw/zinc/21/11/47/507211147.db2.gz QTPPGAFRGHSSPC-IAGOWNOFSA-N 1 2 363.461 3.064 20 30 FGEDLO N#Cc1cc2cccnc2nc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239776 507307651 /nfs/dbraw/zinc/30/76/51/507307651.db2.gz BNZQXBVCSZYYDD-UHFFFAOYSA-N 1 2 362.462 3.062 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604671 507317602 /nfs/dbraw/zinc/31/76/02/507317602.db2.gz ZWWLWRBHQJAENA-HNCHTBHHSA-N 1 2 373.341 3.102 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604671 507317609 /nfs/dbraw/zinc/31/76/09/507317609.db2.gz ZWWLWRBHQJAENA-HNCHTBHHSA-N 1 2 373.341 3.102 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C#N ZINC000610653275 507332566 /nfs/dbraw/zinc/33/25/66/507332566.db2.gz QWFMKQZSLMTKEN-UHFFFAOYSA-N 1 2 357.461 3.375 20 30 FGEDLO N#CC1(C[NH2+]Cc2ncc(I)s2)CCCCC1 ZINC000594981227 507341717 /nfs/dbraw/zinc/34/17/17/507341717.db2.gz LGQWGVARYMDLAH-UHFFFAOYSA-N 1 2 361.252 3.311 20 30 FGEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000610712012 507359042 /nfs/dbraw/zinc/35/90/42/507359042.db2.gz KGELLELBTJLXFU-UHFFFAOYSA-N 1 2 365.399 3.289 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000584559430 507410560 /nfs/dbraw/zinc/41/05/60/507410560.db2.gz QALRSCOGPRLJKM-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000584716332 507466904 /nfs/dbraw/zinc/46/69/04/507466904.db2.gz TZWDKOUJBQBCMX-KXBFYZLASA-N 1 2 364.449 3.314 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000584718453 507469367 /nfs/dbraw/zinc/46/93/67/507469367.db2.gz OPAWYFGRQYPKHM-GOSISDBHSA-N 1 2 351.454 3.406 20 30 FGEDLO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000584762347 507490099 /nfs/dbraw/zinc/49/00/99/507490099.db2.gz MJXPKHSSWYYYLU-UHFFFAOYSA-N 1 2 373.464 3.119 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000598590509 507508459 /nfs/dbraw/zinc/50/84/59/507508459.db2.gz NFTLRCMHRHHPOU-HOTGVXAUSA-N 1 2 367.287 3.123 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000598590509 507508466 /nfs/dbraw/zinc/50/84/66/507508466.db2.gz NFTLRCMHRHHPOU-HOTGVXAUSA-N 1 2 367.287 3.123 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)c(Cl)c1 ZINC000595467817 507513395 /nfs/dbraw/zinc/51/33/95/507513395.db2.gz YDGQSWRDEHHEJS-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000611095376 507514863 /nfs/dbraw/zinc/51/48/63/507514863.db2.gz WXBNHSRIHNMWOV-CVEARBPZSA-N 1 2 356.470 3.236 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595484837 507525055 /nfs/dbraw/zinc/52/50/55/507525055.db2.gz STQGYZIMBMCCOU-UHFFFAOYSA-N 1 2 369.421 3.013 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595484837 507525058 /nfs/dbraw/zinc/52/50/58/507525058.db2.gz STQGYZIMBMCCOU-UHFFFAOYSA-N 1 2 369.421 3.013 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000595574352 507569028 /nfs/dbraw/zinc/56/90/28/507569028.db2.gz KBVJZRRKFIMMSU-DLBZAZTESA-N 1 2 369.481 3.319 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000595574352 507569034 /nfs/dbraw/zinc/56/90/34/507569034.db2.gz KBVJZRRKFIMMSU-DLBZAZTESA-N 1 2 369.481 3.319 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000595577518 507571725 /nfs/dbraw/zinc/57/17/25/507571725.db2.gz PLTIEGPKQNPJSH-DOPJRALCSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000595577518 507571727 /nfs/dbraw/zinc/57/17/27/507571727.db2.gz PLTIEGPKQNPJSH-DOPJRALCSA-N 1 2 362.424 3.045 20 30 FGEDLO CC(C)(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccsc1 ZINC000595603139 507586794 /nfs/dbraw/zinc/58/67/94/507586794.db2.gz YDGMMHJKASPOHP-UHFFFAOYSA-N 1 2 363.508 3.089 20 30 FGEDLO CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccsc1 ZINC000595603139 507586799 /nfs/dbraw/zinc/58/67/99/507586799.db2.gz YDGMMHJKASPOHP-UHFFFAOYSA-N 1 2 363.508 3.089 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620715 507595224 /nfs/dbraw/zinc/59/52/24/507595224.db2.gz PEBYWYXHXOVZIW-LSDHHAIUSA-N 1 2 356.495 3.269 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620715 507595229 /nfs/dbraw/zinc/59/52/29/507595229.db2.gz PEBYWYXHXOVZIW-LSDHHAIUSA-N 1 2 356.495 3.269 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000611276626 507601259 /nfs/dbraw/zinc/60/12/59/507601259.db2.gz NNPWXUVSQKXZLS-UXHICEINSA-N 1 2 369.490 3.330 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000611276626 507601265 /nfs/dbraw/zinc/60/12/65/507601265.db2.gz NNPWXUVSQKXZLS-UXHICEINSA-N 1 2 369.490 3.330 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)cc1C ZINC000595632467 507603700 /nfs/dbraw/zinc/60/37/00/507603700.db2.gz XJYRLCMPCLSWCT-ZDUSSCGKSA-N 1 2 359.451 3.191 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1Cl ZINC000602150789 507607462 /nfs/dbraw/zinc/60/74/62/507607462.db2.gz JEOMBOKYQDVFJE-ZDUSSCGKSA-N 1 2 356.735 3.218 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000598836197 507629064 /nfs/dbraw/zinc/62/90/64/507629064.db2.gz CGZPUPLYSHICDW-OAHLLOKOSA-N 1 2 355.385 3.494 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1)CCCC2 ZINC000585792894 507631102 /nfs/dbraw/zinc/63/11/02/507631102.db2.gz WOPIQKLTTLQHKM-FQEVSTJZSA-N 1 2 362.477 3.467 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611356767 507641400 /nfs/dbraw/zinc/64/14/00/507641400.db2.gz MJADWLUXJDJMOW-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611356767 507641402 /nfs/dbraw/zinc/64/14/02/507641402.db2.gz MJADWLUXJDJMOW-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1F ZINC000611371767 507645921 /nfs/dbraw/zinc/64/59/21/507645921.db2.gz HEYRMQPITXMERQ-LJQANCHMSA-N 1 2 373.859 3.202 20 30 FGEDLO C[C@H]1c2ccccc2C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595753223 507668279 /nfs/dbraw/zinc/66/82/79/507668279.db2.gz RPKBYMXVXKDSON-HTAPYJJXSA-N 1 2 374.488 3.114 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000611432361 507679343 /nfs/dbraw/zinc/67/93/43/507679343.db2.gz VJGWFWAMVVYUTM-GOSISDBHSA-N 1 2 365.399 3.102 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000611432362 507679903 /nfs/dbraw/zinc/67/99/03/507679903.db2.gz VJGWFWAMVVYUTM-SFHVURJKSA-N 1 2 365.399 3.102 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000592523127 507693607 /nfs/dbraw/zinc/69/36/07/507693607.db2.gz WAFZVKDJMGERIQ-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000592523127 507693612 /nfs/dbraw/zinc/69/36/12/507693612.db2.gz WAFZVKDJMGERIQ-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587045598 507705584 /nfs/dbraw/zinc/70/55/84/507705584.db2.gz XEIPBVUYIRDXCE-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833644 507707249 /nfs/dbraw/zinc/70/72/49/507707249.db2.gz IDQABPUALKATTR-DYVFJYSZSA-N 1 2 364.287 3.032 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833644 507707255 /nfs/dbraw/zinc/70/72/55/507707255.db2.gz IDQABPUALKATTR-DYVFJYSZSA-N 1 2 364.287 3.032 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2cccc(C#N)n2)cc1OC ZINC000602544362 507744745 /nfs/dbraw/zinc/74/47/45/507744745.db2.gz QOLZMSKCXXAASG-UHFFFAOYSA-N 1 2 362.227 3.023 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)Nc1sccc1C#N)CCCC2 ZINC000275553629 527094241 /nfs/dbraw/zinc/09/42/41/527094241.db2.gz DNQSZBZUBAHZDV-MRXNPFEDSA-N 1 2 369.494 3.008 20 30 FGEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1[nH+]cc(C)c(OC)c1C ZINC000735426374 598473917 /nfs/dbraw/zinc/47/39/17/598473917.db2.gz QFZLMLCFTLCDQV-UHFFFAOYSA-N 1 2 364.453 3.075 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ncc(C)c(OC)c1C ZINC000735426374 598473918 /nfs/dbraw/zinc/47/39/18/598473918.db2.gz QFZLMLCFTLCDQV-UHFFFAOYSA-N 1 2 364.453 3.075 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ncc(C)c(OC)c1C ZINC000735426374 598473919 /nfs/dbraw/zinc/47/39/19/598473919.db2.gz QFZLMLCFTLCDQV-UHFFFAOYSA-N 1 2 364.453 3.075 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000026323574 695682962 /nfs/dbraw/zinc/68/29/62/695682962.db2.gz VAEBPNLJXZOZBG-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000026323574 695682964 /nfs/dbraw/zinc/68/29/64/695682964.db2.gz VAEBPNLJXZOZBG-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C=CCCC[N@@H+](C)Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S ZINC000076664970 700237600 /nfs/dbraw/zinc/23/76/00/700237600.db2.gz AGOHKOOYNQSQRN-INIZCTEOSA-N 1 2 360.483 3.319 20 30 FGEDLO C=CCCC[N@H+](C)Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S ZINC000076664970 700237604 /nfs/dbraw/zinc/23/76/04/700237604.db2.gz AGOHKOOYNQSQRN-INIZCTEOSA-N 1 2 360.483 3.319 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000526058625 714400822 /nfs/dbraw/zinc/40/08/22/714400822.db2.gz PNHXLSSRZHKSSG-DZGCQCFKSA-N 1 2 354.479 3.384 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000526058625 714400823 /nfs/dbraw/zinc/40/08/23/714400823.db2.gz PNHXLSSRZHKSSG-DZGCQCFKSA-N 1 2 354.479 3.384 20 30 FGEDLO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000619827769 714873900 /nfs/dbraw/zinc/87/39/00/714873900.db2.gz CWSKOESJEDYXEC-CXAGYDPISA-N 1 2 357.845 3.201 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000621956710 715041161 /nfs/dbraw/zinc/04/11/61/715041161.db2.gz VCYQMLIYURPZJH-KRWDZBQOSA-N 1 2 363.933 3.271 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000628183329 716121536 /nfs/dbraw/zinc/12/15/36/716121536.db2.gz XINDMYKNTWNYEX-OAHLLOKOSA-N 1 2 365.779 3.413 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000628183329 716121538 /nfs/dbraw/zinc/12/15/38/716121538.db2.gz XINDMYKNTWNYEX-OAHLLOKOSA-N 1 2 365.779 3.413 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Br)[C@H](C)COC ZINC000661243582 720214650 /nfs/dbraw/zinc/21/46/50/720214650.db2.gz LWFRFNDLRHUYJW-GFCCVEGCSA-N 1 2 358.276 3.489 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Br)[C@H](C)COC ZINC000661243582 720214652 /nfs/dbraw/zinc/21/46/52/720214652.db2.gz LWFRFNDLRHUYJW-GFCCVEGCSA-N 1 2 358.276 3.489 20 30 FGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000662087839 720373852 /nfs/dbraw/zinc/37/38/52/720373852.db2.gz MVEQRVHRRNQXKK-CALCHBBNSA-N 1 2 358.463 3.428 20 30 FGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000662087839 720373854 /nfs/dbraw/zinc/37/38/54/720373854.db2.gz MVEQRVHRRNQXKK-CALCHBBNSA-N 1 2 358.463 3.428 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cc(F)ccc2Br)cc1 ZINC000729674468 722461604 /nfs/dbraw/zinc/46/16/04/722461604.db2.gz NCFITVVSTFTMPV-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794619347 723535953 /nfs/dbraw/zinc/53/59/53/723535953.db2.gz IXJKOERYELJUNM-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794619347 723535956 /nfs/dbraw/zinc/53/59/56/723535956.db2.gz IXJKOERYELJUNM-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ncc(Br)s2)s1 ZINC000794702046 723541619 /nfs/dbraw/zinc/54/16/19/723541619.db2.gz MLEFHFQIRZUTRA-ONEGZZNKSA-N 1 2 358.286 3.320 20 30 FGEDLO C#CC[N@@H+](Cc1cn(C)nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000769403602 723684594 /nfs/dbraw/zinc/68/45/94/723684594.db2.gz INWIEVWZWAMFDP-KRWDZBQOSA-N 1 2 374.282 3.450 20 30 FGEDLO C#CC[N@H+](Cc1cn(C)nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000769403602 723684595 /nfs/dbraw/zinc/68/45/95/723684595.db2.gz INWIEVWZWAMFDP-KRWDZBQOSA-N 1 2 374.282 3.450 20 30 FGEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]OC3CCOCC3)nc2N(C)C)cc1 ZINC000774471418 723897946 /nfs/dbraw/zinc/89/79/46/723897946.db2.gz QHWXBHJKHKNFJA-UHFFFAOYSA-N 1 2 362.861 3.430 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775800063 724063582 /nfs/dbraw/zinc/06/35/82/724063582.db2.gz QNIQVZNOKZXPFD-CVEARBPZSA-N 1 2 361.239 3.375 20 30 FGEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000805828534 725099023 /nfs/dbraw/zinc/09/90/23/725099023.db2.gz KJQWOEKBYIUWIW-AWEZNQCLSA-N 1 2 366.259 3.031 20 30 FGEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000805828534 725099021 /nfs/dbraw/zinc/09/90/21/725099021.db2.gz KJQWOEKBYIUWIW-AWEZNQCLSA-N 1 2 366.259 3.031 20 30 FGEDLO N#CC(C(=O)C1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)cs1 ZINC000805865872 725101328 /nfs/dbraw/zinc/10/13/28/725101328.db2.gz CSCRMMOIWYNTNM-MRXNPFEDSA-N 1 2 352.463 3.256 20 30 FGEDLO COc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1C#N ZINC000809628356 725253628 /nfs/dbraw/zinc/25/36/28/725253628.db2.gz VONYFMZUCMWODV-UHFFFAOYSA-N 1 2 371.238 3.267 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527779 725312516 /nfs/dbraw/zinc/31/25/16/725312516.db2.gz MUSNBQZVLIWSDK-RDTXWAMCSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527779 725312518 /nfs/dbraw/zinc/31/25/18/725312518.db2.gz MUSNBQZVLIWSDK-RDTXWAMCSA-N 1 2 365.836 3.200 20 30 FGEDLO C#C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000811858256 725383302 /nfs/dbraw/zinc/38/33/02/725383302.db2.gz UFAIWVYDLAXHCX-QGZVFWFLSA-N 1 2 356.857 3.089 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000814302524 726955055 /nfs/dbraw/zinc/95/50/55/726955055.db2.gz WOFYHSALTSZOGD-VXGBXAGGSA-N 1 2 361.243 3.381 20 30 FGEDLO COCc1nc(Cl)cc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000814976474 727015541 /nfs/dbraw/zinc/01/55/41/727015541.db2.gz VVEVFOBZZQIBKX-UHFFFAOYSA-N 1 2 356.817 3.298 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)OCc2c[nH+]cn2C)s1 ZINC000820162526 728971374 /nfs/dbraw/zinc/97/13/74/728971374.db2.gz WGWVFOFFJUPINW-UHFFFAOYSA-N 1 2 357.888 3.316 20 30 FGEDLO C[C@@]1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000822218601 729154090 /nfs/dbraw/zinc/15/40/90/729154090.db2.gz UPKMFJUFBMFCOB-QGZVFWFLSA-N 1 2 366.292 3.176 20 30 FGEDLO Fc1cccc(F)c1-c1ncc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)s1 ZINC000834966677 729848419 /nfs/dbraw/zinc/84/84/19/729848419.db2.gz REAVALRICBMXCF-OKILXGFUSA-N 1 2 361.421 3.282 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425602 730619540 /nfs/dbraw/zinc/61/95/40/730619540.db2.gz RERXNNDDCYJINV-KRWDZBQOSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425602 730619543 /nfs/dbraw/zinc/61/95/43/730619543.db2.gz RERXNNDDCYJINV-KRWDZBQOSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365755 730708246 /nfs/dbraw/zinc/70/82/46/730708246.db2.gz IBSFPBNVLRBODA-QGZVFWFLSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365755 730708247 /nfs/dbraw/zinc/70/82/47/730708247.db2.gz IBSFPBNVLRBODA-QGZVFWFLSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C)c1C ZINC000844371581 730708898 /nfs/dbraw/zinc/70/88/98/730708898.db2.gz ZPDGCBZMDIIECL-QGZVFWFLSA-N 1 2 357.479 3.149 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C)c1C ZINC000844371581 730708899 /nfs/dbraw/zinc/70/88/99/730708899.db2.gz ZPDGCBZMDIIECL-QGZVFWFLSA-N 1 2 357.479 3.149 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372255 730708911 /nfs/dbraw/zinc/70/89/11/730708911.db2.gz XMTOIMSFPIMMJX-SFHVURJKSA-N 1 2 358.825 3.164 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372255 730708912 /nfs/dbraw/zinc/70/89/12/730708912.db2.gz XMTOIMSFPIMMJX-SFHVURJKSA-N 1 2 358.825 3.164 20 30 FGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333515 731570907 /nfs/dbraw/zinc/57/09/07/731570907.db2.gz OEMZATURGHHYGW-AZUAARDMSA-N 1 2 355.869 3.196 20 30 FGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333515 731570909 /nfs/dbraw/zinc/57/09/09/731570909.db2.gz OEMZATURGHHYGW-AZUAARDMSA-N 1 2 355.869 3.196 20 30 FGEDLO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)s1 ZINC000859546456 732347926 /nfs/dbraw/zinc/34/79/26/732347926.db2.gz GLTCLCUSQRQVBU-UHFFFAOYSA-N 1 2 359.426 3.320 20 30 FGEDLO C#Cc1cccc(NC(=S)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000865255501 733166711 /nfs/dbraw/zinc/16/67/11/733166711.db2.gz SXMHNSKOYYYBKV-UHFFFAOYSA-N 1 2 368.531 3.103 20 30 FGEDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C#N)cnc1Cl ZINC000876551816 736112721 /nfs/dbraw/zinc/11/27/21/736112721.db2.gz XPQKRTUVGCDOPP-UHFFFAOYSA-N 1 2 356.857 3.075 20 30 FGEDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C#N)cnc1Cl ZINC000876551816 736112728 /nfs/dbraw/zinc/11/27/28/736112728.db2.gz XPQKRTUVGCDOPP-UHFFFAOYSA-N 1 2 356.857 3.075 20 30 FGEDLO C=CCC1(O)CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000884478757 737667770 /nfs/dbraw/zinc/66/77/70/737667770.db2.gz LLXXITQKLHYMLS-UHFFFAOYSA-N 1 2 350.532 3.050 20 30 FGEDLO CN(Cc1cc(C#N)cs1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000887972120 739452670 /nfs/dbraw/zinc/45/26/70/739452670.db2.gz KAFAXRWXXFUPRX-SFHVURJKSA-N 1 2 371.531 3.368 20 30 FGEDLO C#CC1(O)CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000895538046 742424146 /nfs/dbraw/zinc/42/41/46/742424146.db2.gz GXTXVSSPJHBXJJ-UHFFFAOYSA-N 1 2 351.219 3.030 20 30 FGEDLO FC1(F)[C@H]2C[NH+](Cc3cncnc3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055053 742636940 /nfs/dbraw/zinc/63/69/40/742636940.db2.gz MGDZNMQADRGKPB-IUCAKERBSA-N 1 2 361.236 3.079 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000904118586 743930682 /nfs/dbraw/zinc/93/06/82/743930682.db2.gz ISQHDROOZRRTLL-HOCLYGCPSA-N 1 2 363.845 3.110 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1C/C=C\Cl ZINC000948957165 762357489 /nfs/dbraw/zinc/35/74/89/762357489.db2.gz BDLKTTDLFBIJDA-USBUIRRLSA-N 1 2 360.885 3.046 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1C/C=C\Cl ZINC000948957165 762357497 /nfs/dbraw/zinc/35/74/97/762357497.db2.gz BDLKTTDLFBIJDA-USBUIRRLSA-N 1 2 360.885 3.046 20 30 FGEDLO COc1cc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)ccc1C#N ZINC000923003131 759048008 /nfs/dbraw/zinc/04/80/08/759048008.db2.gz OUFMGXNBFCHIST-UHFFFAOYSA-N 1 2 373.254 3.288 20 30 FGEDLO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C#N)c1O ZINC000926703371 759806895 /nfs/dbraw/zinc/80/68/95/759806895.db2.gz ULROFDKBLGETKZ-INIZCTEOSA-N 1 2 350.484 3.052 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784924 761718591 /nfs/dbraw/zinc/71/85/91/761718591.db2.gz DRASDQVREQTNKF-DAXOMENPSA-N 1 2 372.412 3.061 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784924 761718594 /nfs/dbraw/zinc/71/85/94/761718594.db2.gz DRASDQVREQTNKF-DAXOMENPSA-N 1 2 372.412 3.061 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000969972341 762864920 /nfs/dbraw/zinc/86/49/20/762864920.db2.gz GRXSIFMGAFKCOK-MRVWCRGKSA-N 1 2 350.812 3.320 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000970446456 762874999 /nfs/dbraw/zinc/87/49/99/762874999.db2.gz FHDBERDVUNSBEU-PNPHSEOMSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000981993058 763544109 /nfs/dbraw/zinc/54/41/09/763544109.db2.gz WXUMZIOKSTUUJF-QAPCUYQASA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000981993058 763544123 /nfs/dbraw/zinc/54/41/23/763544123.db2.gz WXUMZIOKSTUUJF-QAPCUYQASA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001007356862 765587960 /nfs/dbraw/zinc/58/79/60/765587960.db2.gz KGQLNHMXHVCLAE-IMJJTQAJSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001007356862 765587968 /nfs/dbraw/zinc/58/79/68/765587968.db2.gz KGQLNHMXHVCLAE-IMJJTQAJSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024707095 766063573 /nfs/dbraw/zinc/06/35/73/766063573.db2.gz JXISXCUJBHOUQD-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024707095 766063578 /nfs/dbraw/zinc/06/35/78/766063578.db2.gz JXISXCUJBHOUQD-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001033432000 766215109 /nfs/dbraw/zinc/21/51/09/766215109.db2.gz JIXRKQQJDMNUST-INMHGKMJSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001033432000 766215113 /nfs/dbraw/zinc/21/51/13/766215113.db2.gz JIXRKQQJDMNUST-INMHGKMJSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001039376845 766294974 /nfs/dbraw/zinc/29/49/74/766294974.db2.gz OXEABXFMJZXKLF-OWSLCNJRSA-N 1 2 354.922 3.255 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001039376845 766294981 /nfs/dbraw/zinc/29/49/81/766294981.db2.gz OXEABXFMJZXKLF-OWSLCNJRSA-N 1 2 354.922 3.255 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334902 766587856 /nfs/dbraw/zinc/58/78/56/766587856.db2.gz YEFOPFJYDUNYCK-JYYAWHABSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334902 766587861 /nfs/dbraw/zinc/58/78/61/766587861.db2.gz YEFOPFJYDUNYCK-JYYAWHABSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607884 766798766 /nfs/dbraw/zinc/79/87/66/766798766.db2.gz YXSMURUATAUYRF-JYYAWHABSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607884 766798777 /nfs/dbraw/zinc/79/87/77/766798777.db2.gz YXSMURUATAUYRF-JYYAWHABSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](CC(=C)Cl)C2 ZINC001051300957 766881746 /nfs/dbraw/zinc/88/17/46/766881746.db2.gz QLNJCAADMXBZQJ-MOPGFXCFSA-N 1 2 360.885 3.005 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](CC(=C)Cl)C2 ZINC001051300957 766881755 /nfs/dbraw/zinc/88/17/55/766881755.db2.gz QLNJCAADMXBZQJ-MOPGFXCFSA-N 1 2 360.885 3.005 20 30 FGEDLO CCOC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000108721123 206037665 /nfs/dbraw/zinc/03/76/65/206037665.db2.gz AFWWSWBXTKVWEA-UHFFFAOYSA-N 1 2 361.511 3.328 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc2ccccn12 ZINC000302074438 257383571 /nfs/dbraw/zinc/38/35/71/257383571.db2.gz GKPPITIGJVCMNH-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO O=C1/C(=C/c2cccnc2)CN(c2cccc[nH+]2)C/C1=C/c1cccnc1 ZINC000059270060 132376437 /nfs/dbraw/zinc/37/64/37/132376437.db2.gz IGOCEUUDJGCBHX-UHWBUFEVSA-N 1 2 354.413 3.428 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c(F)c1 ZINC000570965697 505622304 /nfs/dbraw/zinc/62/23/04/505622304.db2.gz LGUBGTMDWSMIDM-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(F)c1 ZINC000570965697 505622308 /nfs/dbraw/zinc/62/23/08/505622308.db2.gz LGUBGTMDWSMIDM-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO CC[N@H+](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)Cc1ccccc1Cl ZINC000571195830 505676697 /nfs/dbraw/zinc/67/66/97/505676697.db2.gz YVBSSCJCLJCUIL-UHFFFAOYSA-N 1 2 357.845 3.273 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)Cc1ccccc1Cl ZINC000571195830 505676701 /nfs/dbraw/zinc/67/67/01/505676701.db2.gz YVBSSCJCLJCUIL-UHFFFAOYSA-N 1 2 357.845 3.273 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420434 493816276 /nfs/dbraw/zinc/81/62/76/493816276.db2.gz AILSESGLZHDXFU-HXUWFJFHSA-N 1 2 366.465 3.365 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000029225424 493827082 /nfs/dbraw/zinc/82/70/82/493827082.db2.gz ZDKDBORAYBMAHG-UHFFFAOYSA-N 1 2 372.856 3.278 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000081113466 493835056 /nfs/dbraw/zinc/83/50/56/493835056.db2.gz QOXIQSFOLOQEKB-RBUKOAKNSA-N 1 2 351.475 3.068 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3Cl)CC2)cc1 ZINC000029686971 493851322 /nfs/dbraw/zinc/85/13/22/493851322.db2.gz CXPWLXAERPWDNA-UHFFFAOYSA-N 1 2 367.880 3.489 20 30 FGEDLO C[C@@H](Cc1ccsc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000050156947 493904081 /nfs/dbraw/zinc/90/40/81/493904081.db2.gz PJSRIMFBYMHPOM-INIZCTEOSA-N 1 2 368.506 3.078 20 30 FGEDLO Cc1ccc(C)n1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081512942 493907982 /nfs/dbraw/zinc/90/79/82/493907982.db2.gz XBVOKQUEMXLSGK-UHFFFAOYSA-N 1 2 371.506 3.087 20 30 FGEDLO N#Cc1cc(F)c(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC000060320143 493921355 /nfs/dbraw/zinc/92/13/55/493921355.db2.gz ANEIJTOSINIHCY-UHFFFAOYSA-N 1 2 360.383 3.210 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1cccs1 ZINC000060942787 493959505 /nfs/dbraw/zinc/95/95/05/493959505.db2.gz DKCGURTWVXJXFU-UHFFFAOYSA-N 1 2 374.506 3.412 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1cccs1 ZINC000060942787 493959509 /nfs/dbraw/zinc/95/95/09/493959509.db2.gz DKCGURTWVXJXFU-UHFFFAOYSA-N 1 2 374.506 3.412 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000032413153 493986935 /nfs/dbraw/zinc/98/69/35/493986935.db2.gz IALKVBDAYPNLCL-UHFFFAOYSA-N 1 2 366.461 3.014 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000083133457 493998997 /nfs/dbraw/zinc/99/89/97/493998997.db2.gz LOGMWZAZCKWBIZ-LEWJYISDSA-N 1 2 364.445 3.218 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000052105566 494005018 /nfs/dbraw/zinc/00/50/18/494005018.db2.gz HPSAUMCURLOEOG-CQSZACIVSA-N 1 2 356.253 3.142 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000052105566 494005019 /nfs/dbraw/zinc/00/50/19/494005019.db2.gz HPSAUMCURLOEOG-CQSZACIVSA-N 1 2 356.253 3.142 20 30 FGEDLO N#Cc1csc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000083980889 494042271 /nfs/dbraw/zinc/04/22/71/494042271.db2.gz YWFGRIOXVHLHCN-UHFFFAOYSA-N 1 2 352.419 3.169 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000052662594 494052082 /nfs/dbraw/zinc/05/20/82/494052082.db2.gz SPDFFNIMBBGXNN-UHFFFAOYSA-N 1 2 374.510 3.145 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000052662594 494052088 /nfs/dbraw/zinc/05/20/88/494052088.db2.gz SPDFFNIMBBGXNN-UHFFFAOYSA-N 1 2 374.510 3.145 20 30 FGEDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OCC ZINC000008093252 494067527 /nfs/dbraw/zinc/06/75/27/494067527.db2.gz XMNGUKXNFNYHMR-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OCC ZINC000008093252 494067531 /nfs/dbraw/zinc/06/75/31/494067531.db2.gz XMNGUKXNFNYHMR-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000008165290 494073074 /nfs/dbraw/zinc/07/30/74/494073074.db2.gz MZZKBELJRVFUSH-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000008165290 494073077 /nfs/dbraw/zinc/07/30/77/494073077.db2.gz MZZKBELJRVFUSH-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H](C)C#N ZINC000064248656 494109874 /nfs/dbraw/zinc/10/98/74/494109874.db2.gz PTFNAYUMKJFTNE-INIZCTEOSA-N 1 2 350.466 3.265 20 30 FGEDLO CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H](C)C#N ZINC000064248656 494109878 /nfs/dbraw/zinc/10/98/78/494109878.db2.gz PTFNAYUMKJFTNE-INIZCTEOSA-N 1 2 350.466 3.265 20 30 FGEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000054296147 494218309 /nfs/dbraw/zinc/21/83/09/494218309.db2.gz KKWBRFBFWKJGRL-UHFFFAOYSA-N 1 2 361.445 3.400 20 30 FGEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000065682575 494225327 /nfs/dbraw/zinc/22/53/27/494225327.db2.gz SCIDRVWYLQODJO-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO COc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000072672698 494230444 /nfs/dbraw/zinc/23/04/44/494230444.db2.gz HXHHSCWCFJHHRQ-FQEVSTJZSA-N 1 2 366.465 3.064 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000054394736 494231005 /nfs/dbraw/zinc/23/10/05/494231005.db2.gz DCNLAKSYFCAMJC-HNNXBMFYSA-N 1 2 362.495 3.321 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000054394736 494231009 /nfs/dbraw/zinc/23/10/09/494231009.db2.gz DCNLAKSYFCAMJC-HNNXBMFYSA-N 1 2 362.495 3.321 20 30 FGEDLO COCC[N@@H+](CCC#N)CCOc1ccc(Cl)cc1Br ZINC000072688755 494234305 /nfs/dbraw/zinc/23/43/05/494234305.db2.gz YEPLYXWCZXQUJO-UHFFFAOYSA-N 1 2 361.667 3.343 20 30 FGEDLO COCC[N@H+](CCC#N)CCOc1ccc(Cl)cc1Br ZINC000072688755 494234309 /nfs/dbraw/zinc/23/43/09/494234309.db2.gz YEPLYXWCZXQUJO-UHFFFAOYSA-N 1 2 361.667 3.343 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054676299 494259858 /nfs/dbraw/zinc/25/98/58/494259858.db2.gz QVSXQIBPLSXIJF-SMDDNHRTSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054676299 494259861 /nfs/dbraw/zinc/25/98/61/494259861.db2.gz QVSXQIBPLSXIJF-SMDDNHRTSA-N 1 2 373.844 3.110 20 30 FGEDLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043145973 494270136 /nfs/dbraw/zinc/27/01/36/494270136.db2.gz SPFHRXIJBFQWPM-UHFFFAOYSA-N 1 2 364.449 3.307 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000054841310 494277761 /nfs/dbraw/zinc/27/77/61/494277761.db2.gz YMVKADKSAJXEAJ-UHFFFAOYSA-N 1 2 372.182 3.489 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000078616030 494331101 /nfs/dbraw/zinc/33/11/01/494331101.db2.gz JTAXPTAYSNCTAU-NQIIRXRSSA-N 1 2 362.477 3.205 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)C[C@@H](C)C#N ZINC000066424847 494331969 /nfs/dbraw/zinc/33/19/69/494331969.db2.gz ZRFXPZUSXJYJTQ-SFHVURJKSA-N 1 2 365.477 3.363 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)C[C@@H](C)C#N ZINC000066424847 494331975 /nfs/dbraw/zinc/33/19/75/494331975.db2.gz ZRFXPZUSXJYJTQ-SFHVURJKSA-N 1 2 365.477 3.363 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000078622074 494332522 /nfs/dbraw/zinc/33/25/22/494332522.db2.gz MIIJARMOHMNLRR-MRXNPFEDSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000078622074 494332524 /nfs/dbraw/zinc/33/25/24/494332524.db2.gz MIIJARMOHMNLRR-MRXNPFEDSA-N 1 2 355.438 3.364 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000066565977 494356031 /nfs/dbraw/zinc/35/60/31/494356031.db2.gz MFPYXIBLBADMPU-LLVKDONJSA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000066565977 494356035 /nfs/dbraw/zinc/35/60/35/494356035.db2.gz MFPYXIBLBADMPU-LLVKDONJSA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ccc(-c2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)co2)cc1 ZINC000044714796 494376918 /nfs/dbraw/zinc/37/69/18/494376918.db2.gz FIUDCKBNKIZHRS-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000046087050 494494022 /nfs/dbraw/zinc/49/40/22/494494022.db2.gz ZDHOWRUNTNFDMR-UHFFFAOYSA-N 1 2 359.433 3.321 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000046087050 494494025 /nfs/dbraw/zinc/49/40/25/494494025.db2.gz ZDHOWRUNTNFDMR-UHFFFAOYSA-N 1 2 359.433 3.321 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084912 494528870 /nfs/dbraw/zinc/52/88/70/494528870.db2.gz ACNMIEDLRJUJJF-UHFFFAOYSA-N 1 2 369.481 3.176 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084912 494528875 /nfs/dbraw/zinc/52/88/75/494528875.db2.gz ACNMIEDLRJUJJF-UHFFFAOYSA-N 1 2 369.481 3.176 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022781277 494534818 /nfs/dbraw/zinc/53/48/18/494534818.db2.gz VCARUTTUQXKZML-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ccccc1OCC(=O)N(C)C ZINC000092404615 494615060 /nfs/dbraw/zinc/61/50/60/494615060.db2.gz WAXROISLGPKCFU-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ccccc1OCC(=O)N(C)C ZINC000092404615 494615070 /nfs/dbraw/zinc/61/50/70/494615070.db2.gz WAXROISLGPKCFU-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1c(F)cccc1F ZINC000115767807 494617227 /nfs/dbraw/zinc/61/72/27/494617227.db2.gz JSEONWJGGWCQNT-INIZCTEOSA-N 1 2 362.355 3.400 20 30 FGEDLO Cc1ncc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000047259464 494665432 /nfs/dbraw/zinc/66/54/32/494665432.db2.gz VCIOAPVRXURKQW-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000047259464 494665442 /nfs/dbraw/zinc/66/54/42/494665442.db2.gz VCIOAPVRXURKQW-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)cc1F ZINC000024827269 494670107 /nfs/dbraw/zinc/67/01/07/494670107.db2.gz ZTTGUCUTENEASQ-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126379175 494730631 /nfs/dbraw/zinc/73/06/31/494730631.db2.gz IJUNNALMENKGNG-OAQYLSRUSA-N 1 2 352.434 3.328 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126379175 494730637 /nfs/dbraw/zinc/73/06/37/494730637.db2.gz IJUNNALMENKGNG-OAQYLSRUSA-N 1 2 352.434 3.328 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000132173556 494834162 /nfs/dbraw/zinc/83/41/62/494834162.db2.gz PRVDNMGIGMPXSF-UHFFFAOYSA-N 1 2 351.454 3.311 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000132173556 494834165 /nfs/dbraw/zinc/83/41/65/494834165.db2.gz PRVDNMGIGMPXSF-UHFFFAOYSA-N 1 2 351.454 3.311 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cnn(C)c1 ZINC000027539590 494871988 /nfs/dbraw/zinc/87/19/88/494871988.db2.gz VLZLYGRCHIUVKC-CYBMUJFWSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539590 494871989 /nfs/dbraw/zinc/87/19/89/494871989.db2.gz VLZLYGRCHIUVKC-CYBMUJFWSA-N 1 2 371.510 3.081 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1 ZINC000027777111 494884918 /nfs/dbraw/zinc/88/49/18/494884918.db2.gz IGZZNHOHBZCJMX-UHFFFAOYSA-N 1 2 363.461 3.206 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1 ZINC000027777111 494884923 /nfs/dbraw/zinc/88/49/23/494884923.db2.gz IGZZNHOHBZCJMX-UHFFFAOYSA-N 1 2 363.461 3.206 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000109812872 494921806 /nfs/dbraw/zinc/92/18/06/494921806.db2.gz LQZKKVPIJVECJO-UHFFFAOYSA-N 1 2 353.413 3.166 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000109812872 494921809 /nfs/dbraw/zinc/92/18/09/494921809.db2.gz LQZKKVPIJVECJO-UHFFFAOYSA-N 1 2 353.413 3.166 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4ccc(F)cc4Cl)CC3)n2c1 ZINC000093866368 494929076 /nfs/dbraw/zinc/92/90/76/494929076.db2.gz WMEUFFPHRACECJ-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO N#Cc1ccccc1N1CCCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110206947 494957308 /nfs/dbraw/zinc/95/73/08/494957308.db2.gz RIQNWSJBQCBJKH-UHFFFAOYSA-N 1 2 362.481 3.055 20 30 FGEDLO N#Cc1ccccc1N1CCCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110206947 494957311 /nfs/dbraw/zinc/95/73/11/494957311.db2.gz RIQNWSJBQCBJKH-UHFFFAOYSA-N 1 2 362.481 3.055 20 30 FGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(Br)c1 ZINC000122671266 495013316 /nfs/dbraw/zinc/01/33/16/495013316.db2.gz NSQLHZWYNDPFQL-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000122932204 495054989 /nfs/dbraw/zinc/05/49/89/495054989.db2.gz SQOCROUVTPJCTD-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133759768 495058447 /nfs/dbraw/zinc/05/84/47/495058447.db2.gz SCHACNGGDFFGFZ-LJQANCHMSA-N 1 2 356.857 3.176 20 30 FGEDLO C[N@H+](CCC(F)(F)F)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000098136906 495060295 /nfs/dbraw/zinc/06/02/95/495060295.db2.gz OWTSXLFLEOXZTD-UHFFFAOYSA-N 1 2 366.305 3.057 20 30 FGEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000098136906 495060297 /nfs/dbraw/zinc/06/02/97/495060297.db2.gz OWTSXLFLEOXZTD-UHFFFAOYSA-N 1 2 366.305 3.057 20 30 FGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558464 495076988 /nfs/dbraw/zinc/07/69/88/495076988.db2.gz OEZIJLUGIWCRFJ-AWEZNQCLSA-N 1 2 354.385 3.489 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561581 495077704 /nfs/dbraw/zinc/07/77/04/495077704.db2.gz ITYMAUXMMFLRBK-UHFFFAOYSA-N 1 2 358.442 3.274 20 30 FGEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000123425109 495130633 /nfs/dbraw/zinc/13/06/33/495130633.db2.gz BDLSUMDVOOLHEF-ZDUSSCGKSA-N 1 2 367.409 3.004 20 30 FGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000119461789 495171687 /nfs/dbraw/zinc/17/16/87/495171687.db2.gz JWLBPKHLLAEECO-RBZFPXEDSA-N 1 2 367.424 3.363 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112360081 495179847 /nfs/dbraw/zinc/17/98/47/495179847.db2.gz KANQGKUPURABJF-FQEVSTJZSA-N 1 2 362.408 3.187 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112360081 495179848 /nfs/dbraw/zinc/17/98/48/495179848.db2.gz KANQGKUPURABJF-FQEVSTJZSA-N 1 2 362.408 3.187 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2cnc(C#N)cn2)c2ccc(Cl)cc2)CCO1 ZINC000123759085 495181784 /nfs/dbraw/zinc/18/17/84/495181784.db2.gz QDVCVAKPQFOEBL-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2cnc(C#N)cn2)c2ccc(Cl)cc2)CCO1 ZINC000123759085 495181785 /nfs/dbraw/zinc/18/17/85/495181785.db2.gz QDVCVAKPQFOEBL-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N ZINC000134948184 495229530 /nfs/dbraw/zinc/22/95/30/495229530.db2.gz BQLAUEDGESXFNF-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1C#N ZINC000135022110 495240219 /nfs/dbraw/zinc/24/02/19/495240219.db2.gz OQYIABRNXNOILO-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1C#N ZINC000135022110 495240224 /nfs/dbraw/zinc/24/02/24/495240224.db2.gz OQYIABRNXNOILO-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)c3ccccc3F)cn2c1 ZINC000114686308 495409532 /nfs/dbraw/zinc/40/95/32/495409532.db2.gz WEJZJJRLAULQML-QGZVFWFLSA-N 1 2 368.437 3.396 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120599462 495414714 /nfs/dbraw/zinc/41/47/14/495414714.db2.gz FHWYVFGCKGTTKU-UHFFFAOYSA-N 1 2 365.462 3.314 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[nH]1 ZINC000130680466 495428646 /nfs/dbraw/zinc/42/86/46/495428646.db2.gz YRULCQJHKCRRIR-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[nH]1 ZINC000130680466 495428652 /nfs/dbraw/zinc/42/86/52/495428652.db2.gz YRULCQJHKCRRIR-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000130840533 495454885 /nfs/dbraw/zinc/45/48/85/495454885.db2.gz QVIKCHIIHCUGAQ-KRWDZBQOSA-N 1 2 359.470 3.248 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000130840533 495454888 /nfs/dbraw/zinc/45/48/88/495454888.db2.gz QVIKCHIIHCUGAQ-KRWDZBQOSA-N 1 2 359.470 3.248 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130921734 495467110 /nfs/dbraw/zinc/46/71/10/495467110.db2.gz UVWAYAACFDOMGP-UHFFFAOYSA-N 1 2 356.407 3.131 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130921734 495467113 /nfs/dbraw/zinc/46/71/13/495467113.db2.gz UVWAYAACFDOMGP-UHFFFAOYSA-N 1 2 356.407 3.131 20 30 FGEDLO N#CCSc1cccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000131008121 495479154 /nfs/dbraw/zinc/47/91/54/495479154.db2.gz YLUZHOHZEDYPHM-INIZCTEOSA-N 1 2 352.463 3.096 20 30 FGEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000106884959 495506768 /nfs/dbraw/zinc/50/67/68/495506768.db2.gz JONJDNBRUFGWIR-MRXNPFEDSA-N 1 2 358.423 3.013 20 30 FGEDLO CSc1nn(-c2ccccc2)c(NC(=O)CCCn2cc[nH+]c2)c1C#N ZINC000125838998 495506932 /nfs/dbraw/zinc/50/69/32/495506932.db2.gz HSXPPRRRAJAZBK-UHFFFAOYSA-N 1 2 366.450 3.081 20 30 FGEDLO C=CCSCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176242327 495560311 /nfs/dbraw/zinc/56/03/11/495560311.db2.gz KSHULNOVCFZUMT-UHFFFAOYSA-N 1 2 362.543 3.249 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000182669805 495657052 /nfs/dbraw/zinc/65/70/52/495657052.db2.gz INCVAYVXGBPPQC-CYBMUJFWSA-N 1 2 353.422 3.162 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000182669805 495657059 /nfs/dbraw/zinc/65/70/59/495657059.db2.gz INCVAYVXGBPPQC-CYBMUJFWSA-N 1 2 353.422 3.162 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cnc2ccc(C#N)cn12 ZINC000179609726 495658964 /nfs/dbraw/zinc/65/89/64/495658964.db2.gz FPFUVFLQKHVSDM-UHFFFAOYSA-N 1 2 361.449 3.365 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cnc2ccc(C#N)cn12 ZINC000179609726 495658970 /nfs/dbraw/zinc/65/89/70/495658970.db2.gz FPFUVFLQKHVSDM-UHFFFAOYSA-N 1 2 361.449 3.365 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(OC2CCCC2)c1 ZINC000154746073 495716474 /nfs/dbraw/zinc/71/64/74/495716474.db2.gz CQYLJZDROVYCJP-UHFFFAOYSA-N 1 2 357.498 3.056 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171109516 495727851 /nfs/dbraw/zinc/72/78/51/495727851.db2.gz WLSLNLAJKZHWHX-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171109516 495727858 /nfs/dbraw/zinc/72/78/58/495727858.db2.gz WLSLNLAJKZHWHX-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171226890 495777846 /nfs/dbraw/zinc/77/78/46/495777846.db2.gz GRZYZJWWSCCLLT-UHFFFAOYSA-N 1 2 371.934 3.210 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171226890 495777849 /nfs/dbraw/zinc/77/78/49/495777849.db2.gz GRZYZJWWSCCLLT-UHFFFAOYSA-N 1 2 371.934 3.210 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151247831 495783555 /nfs/dbraw/zinc/78/35/55/495783555.db2.gz MMQFRTVIGSQVDB-ROUUACIJSA-N 1 2 356.495 3.330 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000183208096 495880831 /nfs/dbraw/zinc/88/08/31/495880831.db2.gz BFBGXPNVYOGNDY-HXUWFJFHSA-N 1 2 350.422 3.286 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000177020326 495886166 /nfs/dbraw/zinc/88/61/66/495886166.db2.gz CSXLSNPPBIMTIW-HXUWFJFHSA-N 1 2 352.434 3.346 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000177020326 495886171 /nfs/dbraw/zinc/88/61/71/495886171.db2.gz CSXLSNPPBIMTIW-HXUWFJFHSA-N 1 2 352.434 3.346 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H](C)CS(=O)(=O)CC ZINC000177169302 495958685 /nfs/dbraw/zinc/95/86/85/495958685.db2.gz JUIZQEMXQIKVTG-CQSZACIVSA-N 1 2 361.429 3.202 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H](C)CS(=O)(=O)CC ZINC000177169302 495958686 /nfs/dbraw/zinc/95/86/86/495958686.db2.gz JUIZQEMXQIKVTG-CQSZACIVSA-N 1 2 361.429 3.202 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000155485830 495971685 /nfs/dbraw/zinc/97/16/85/495971685.db2.gz DXOHGVJAGYWMJD-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000155485830 495971691 /nfs/dbraw/zinc/97/16/91/495971691.db2.gz DXOHGVJAGYWMJD-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151933065 495996520 /nfs/dbraw/zinc/99/65/20/495996520.db2.gz WFBNZHXCUPTUJF-WBVHZDCISA-N 1 2 373.840 3.331 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151933065 495996523 /nfs/dbraw/zinc/99/65/23/495996523.db2.gz WFBNZHXCUPTUJF-WBVHZDCISA-N 1 2 373.840 3.331 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160610360 496002767 /nfs/dbraw/zinc/00/27/67/496002767.db2.gz ILNMHXDYFFQNIQ-IEBWSBKVSA-N 1 2 365.481 3.429 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000171723286 496008249 /nfs/dbraw/zinc/00/82/49/496008249.db2.gz NPVSZHAVCQMLMG-INIZCTEOSA-N 1 2 364.449 3.478 20 30 FGEDLO N#CCC[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186542435 496038019 /nfs/dbraw/zinc/03/80/19/496038019.db2.gz ZJNCMUORJFZPLU-LJQANCHMSA-N 1 2 363.465 3.348 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000160790945 496043380 /nfs/dbraw/zinc/04/33/80/496043380.db2.gz HKPYQGSLSJEJIB-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000160790945 496043383 /nfs/dbraw/zinc/04/33/83/496043383.db2.gz HKPYQGSLSJEJIB-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000177414614 496052342 /nfs/dbraw/zinc/05/23/42/496052342.db2.gz OSUPLNAIMFYARU-AWEZNQCLSA-N 1 2 371.462 3.065 20 30 FGEDLO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000177414614 496052347 /nfs/dbraw/zinc/05/23/47/496052347.db2.gz OSUPLNAIMFYARU-AWEZNQCLSA-N 1 2 371.462 3.065 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1C ZINC000152138502 496058412 /nfs/dbraw/zinc/05/84/12/496058412.db2.gz GBAHMVRNQOFICT-KRWDZBQOSA-N 1 2 367.497 3.349 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1C ZINC000152138502 496058416 /nfs/dbraw/zinc/05/84/16/496058416.db2.gz GBAHMVRNQOFICT-KRWDZBQOSA-N 1 2 367.497 3.349 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000172113767 496170801 /nfs/dbraw/zinc/17/08/01/496170801.db2.gz XYAYFSNVCKHDDO-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000174985316 496194703 /nfs/dbraw/zinc/19/47/03/496194703.db2.gz XJQUWUNJRNJVHM-IERDGZPVSA-N 1 2 371.444 3.375 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000174985316 496194707 /nfs/dbraw/zinc/19/47/07/496194707.db2.gz XJQUWUNJRNJVHM-IERDGZPVSA-N 1 2 371.444 3.375 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(Br)c1 ZINC000180963657 496221756 /nfs/dbraw/zinc/22/17/56/496221756.db2.gz OBWYRNOAAWCVIP-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000156827570 496343057 /nfs/dbraw/zinc/34/30/57/496343057.db2.gz MNANVMBYWQDBQN-QUCCMNQESA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000156827570 496343062 /nfs/dbraw/zinc/34/30/62/496343062.db2.gz MNANVMBYWQDBQN-QUCCMNQESA-N 1 2 359.491 3.290 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178162701 496352148 /nfs/dbraw/zinc/35/21/48/496352148.db2.gz XTASHOHBWCMUFK-MRXNPFEDSA-N 1 2 367.453 3.177 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178241785 496383212 /nfs/dbraw/zinc/38/32/12/496383212.db2.gz PASKTSHAFUXNHA-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C)o1 ZINC000184646721 496477960 /nfs/dbraw/zinc/47/79/60/496477960.db2.gz ZVBFKLUYYJXSCK-DOMZBBRYSA-N 1 2 373.478 3.314 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(C)o1 ZINC000184666387 496485721 /nfs/dbraw/zinc/48/57/21/496485721.db2.gz LKNDWQULCGBVLQ-UINJJDOFSA-N 1 2 361.486 3.185 20 30 FGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000153696709 496548780 /nfs/dbraw/zinc/54/87/80/496548780.db2.gz VRVVFMRLKINKKK-SFHVURJKSA-N 1 2 353.466 3.296 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000157994577 496603441 /nfs/dbraw/zinc/60/34/41/496603441.db2.gz ILGMLSLIVDSRQE-KURKYZTESA-N 1 2 369.383 3.205 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000157994577 496603447 /nfs/dbraw/zinc/60/34/47/496603447.db2.gz ILGMLSLIVDSRQE-KURKYZTESA-N 1 2 369.383 3.205 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154065572 496672465 /nfs/dbraw/zinc/67/24/65/496672465.db2.gz UQKVSBWGCGHUJJ-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154065572 496672470 /nfs/dbraw/zinc/67/24/70/496672470.db2.gz UQKVSBWGCGHUJJ-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1nc2ccccc2nc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000176149750 496704845 /nfs/dbraw/zinc/70/48/45/496704845.db2.gz YATGJOFMYBWPEP-JOCHJYFZSA-N 1 2 357.461 3.321 20 30 FGEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185246635 496716184 /nfs/dbraw/zinc/71/61/84/496716184.db2.gz DGMCUQDWYQKWDJ-WMLDXEAASA-N 1 2 370.453 3.079 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4ccccc4Cl)CC3)n2c1 ZINC000158510406 496716521 /nfs/dbraw/zinc/71/65/21/496716521.db2.gz FUYLCSRTVONLGB-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4Cl)CC3)n2c1 ZINC000158510406 496716524 /nfs/dbraw/zinc/71/65/24/496716524.db2.gz FUYLCSRTVONLGB-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185253695 496718740 /nfs/dbraw/zinc/71/87/40/496718740.db2.gz PRCGBIGNSZAGTP-CYBMUJFWSA-N 1 2 353.426 3.278 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000194968217 496776225 /nfs/dbraw/zinc/77/62/25/496776225.db2.gz QNZRWIYTADDWMI-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000194968217 496776229 /nfs/dbraw/zinc/77/62/29/496776229.db2.gz QNZRWIYTADDWMI-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000195056852 496807571 /nfs/dbraw/zinc/80/75/71/496807571.db2.gz RJSXUSLJYGZFHE-MJGOQNOKSA-N 1 2 365.458 3.134 20 30 FGEDLO N#CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCOCC1 ZINC000277730287 496868874 /nfs/dbraw/zinc/86/88/74/496868874.db2.gz PEZRHSQIICMFJJ-UHFFFAOYSA-N 1 2 350.422 3.145 20 30 FGEDLO C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000188702189 496882172 /nfs/dbraw/zinc/88/21/72/496882172.db2.gz ZCKLGEDYRMNCGJ-HZPDHXFCSA-N 1 2 368.441 3.076 20 30 FGEDLO N#CCOc1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277909638 496932101 /nfs/dbraw/zinc/93/21/01/496932101.db2.gz CBRXDHVHOXNGRZ-KESHDOJXSA-N 1 2 366.421 3.068 20 30 FGEDLO N#CCOc1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000277909638 496932105 /nfs/dbraw/zinc/93/21/05/496932105.db2.gz CBRXDHVHOXNGRZ-KESHDOJXSA-N 1 2 366.421 3.068 20 30 FGEDLO COCC[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(C#N)cc1 ZINC000188981945 496968486 /nfs/dbraw/zinc/96/84/86/496968486.db2.gz OHKWEXNXQZYGFX-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO COCC[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(C#N)cc1 ZINC000188981945 496968490 /nfs/dbraw/zinc/96/84/90/496968490.db2.gz OHKWEXNXQZYGFX-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000249133044 497172467 /nfs/dbraw/zinc/17/24/67/497172467.db2.gz YIKIDJYWVCYXKO-NOLJZWGESA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000249133044 497172471 /nfs/dbraw/zinc/17/24/71/497172471.db2.gz YIKIDJYWVCYXKO-NOLJZWGESA-N 1 2 363.255 3.094 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249466088 497207523 /nfs/dbraw/zinc/20/75/23/497207523.db2.gz GSSLBXNEYGWSFS-JENIJYKNSA-N 1 2 352.425 3.055 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249466088 497207528 /nfs/dbraw/zinc/20/75/28/497207528.db2.gz GSSLBXNEYGWSFS-JENIJYKNSA-N 1 2 352.425 3.055 20 30 FGEDLO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581013652 505891358 /nfs/dbraw/zinc/89/13/58/505891358.db2.gz CLPUMMQKWRZMBR-JTSKRJEESA-N 1 2 365.477 3.005 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3nc4c(cc3C#N)CCCC4)c[nH+]2)CCO1 ZINC000270884394 497219993 /nfs/dbraw/zinc/21/99/93/497219993.db2.gz FKQDJEDCUPADPZ-OAHLLOKOSA-N 1 2 363.465 3.064 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)on1 ZINC000266129972 497263223 /nfs/dbraw/zinc/26/32/23/497263223.db2.gz YOEBRHFSWJZWBV-UHFFFAOYSA-N 1 2 365.412 3.173 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000193239437 497331590 /nfs/dbraw/zinc/33/15/90/497331590.db2.gz VEYKZLTVZCNCOT-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000193239437 497331595 /nfs/dbraw/zinc/33/15/95/497331595.db2.gz VEYKZLTVZCNCOT-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000275516446 497350086 /nfs/dbraw/zinc/35/00/86/497350086.db2.gz BWWVPOCZBHPOLI-KRWDZBQOSA-N 1 2 366.490 3.141 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000275516446 497350091 /nfs/dbraw/zinc/35/00/91/497350091.db2.gz BWWVPOCZBHPOLI-KRWDZBQOSA-N 1 2 366.490 3.141 20 30 FGEDLO CC[C@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266643852 497389435 /nfs/dbraw/zinc/38/94/35/497389435.db2.gz VJKZZBYXAOZKAA-FOIQADDNSA-N 1 2 352.438 3.024 20 30 FGEDLO CC[C@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266643852 497389440 /nfs/dbraw/zinc/38/94/40/497389440.db2.gz VJKZZBYXAOZKAA-FOIQADDNSA-N 1 2 352.438 3.024 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266662159 497393308 /nfs/dbraw/zinc/39/33/08/497393308.db2.gz XOIGQGYVCYBWHI-LSDHHAIUSA-N 1 2 372.469 3.209 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590421 497468123 /nfs/dbraw/zinc/46/81/23/497468123.db2.gz KWLWMHJMYLCLQC-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590421 497468126 /nfs/dbraw/zinc/46/81/26/497468126.db2.gz KWLWMHJMYLCLQC-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2ccccc2C#N)o1 ZINC000193764310 497473161 /nfs/dbraw/zinc/47/31/61/497473161.db2.gz IRWJPJRTUOQYDK-IBGZPJMESA-N 1 2 360.417 3.428 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2ccccc2C#N)o1 ZINC000193764310 497473168 /nfs/dbraw/zinc/47/31/68/497473168.db2.gz IRWJPJRTUOQYDK-IBGZPJMESA-N 1 2 360.417 3.428 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245644207 497485901 /nfs/dbraw/zinc/48/59/01/497485901.db2.gz BTGYIOIXBFVTJT-IEBWSBKVSA-N 1 2 371.387 3.042 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245644207 497485906 /nfs/dbraw/zinc/48/59/06/497485906.db2.gz BTGYIOIXBFVTJT-IEBWSBKVSA-N 1 2 371.387 3.042 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245703451 497509425 /nfs/dbraw/zinc/50/94/25/497509425.db2.gz CTCKWECSJVWNDM-MOPGFXCFSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245703451 497509430 /nfs/dbraw/zinc/50/94/30/497509430.db2.gz CTCKWECSJVWNDM-MOPGFXCFSA-N 1 2 369.852 3.013 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193945454 497529778 /nfs/dbraw/zinc/52/97/78/497529778.db2.gz CIVCTFZIDVAECW-UHFFFAOYSA-N 1 2 366.446 3.087 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000280161087 497667622 /nfs/dbraw/zinc/66/76/22/497667622.db2.gz BZNRCKQULIOZAR-AEFFLSMTSA-N 1 2 358.461 3.091 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000272631889 497684302 /nfs/dbraw/zinc/68/43/02/497684302.db2.gz WITSRVOQZHGMHF-UHFFFAOYSA-N 1 2 354.479 3.199 20 30 FGEDLO N#CCCN(CCc1cc(Cl)cc(Cl)c1)CC[NH+]1CCOCC1 ZINC000194600906 497715179 /nfs/dbraw/zinc/71/51/79/497715179.db2.gz KPTFIZRSYLKLSU-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@@H+](CCc1cc(Cl)cc(Cl)c1)CCN1CCOCC1 ZINC000194600906 497715180 /nfs/dbraw/zinc/71/51/80/497715180.db2.gz KPTFIZRSYLKLSU-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@H+](CCc1cc(Cl)cc(Cl)c1)CCN1CCOCC1 ZINC000194600906 497715184 /nfs/dbraw/zinc/71/51/84/497715184.db2.gz KPTFIZRSYLKLSU-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000263695011 497809102 /nfs/dbraw/zinc/80/91/02/497809102.db2.gz KMCNTKZXEJYZIF-CQSZACIVSA-N 1 2 370.478 3.297 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000263695011 497809103 /nfs/dbraw/zinc/80/91/03/497809103.db2.gz KMCNTKZXEJYZIF-CQSZACIVSA-N 1 2 370.478 3.297 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)CCC2 ZINC000329630971 497850942 /nfs/dbraw/zinc/85/09/42/497850942.db2.gz WKJQIGUYRISFGM-FHLIZLRMSA-N 1 2 353.470 3.461 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329668882 497863235 /nfs/dbraw/zinc/86/32/35/497863235.db2.gz SGAOMPOLYNBDKZ-ZDUSSCGKSA-N 1 2 368.389 3.265 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329668882 497863241 /nfs/dbraw/zinc/86/32/41/497863241.db2.gz SGAOMPOLYNBDKZ-ZDUSSCGKSA-N 1 2 368.389 3.265 20 30 FGEDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283880 497879896 /nfs/dbraw/zinc/87/98/96/497879896.db2.gz CFPJMEVIHYWVOF-DLBZAZTESA-N 1 2 351.368 3.127 20 30 FGEDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283880 497879904 /nfs/dbraw/zinc/87/99/04/497879904.db2.gz CFPJMEVIHYWVOF-DLBZAZTESA-N 1 2 351.368 3.127 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N[C@]3(C)CCO[C@@H]3C3CC3)c[nH+]2)CC1 ZINC000329763216 497893963 /nfs/dbraw/zinc/89/39/63/497893963.db2.gz UFWPLCSYEBFXQE-TZIWHRDSSA-N 1 2 372.513 3.279 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000329772317 497895747 /nfs/dbraw/zinc/89/57/47/497895747.db2.gz HIIPZTIKNCWCLA-UHFFFAOYSA-N 1 2 367.493 3.227 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000329772317 497895753 /nfs/dbraw/zinc/89/57/53/497895753.db2.gz HIIPZTIKNCWCLA-UHFFFAOYSA-N 1 2 367.493 3.227 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1[C@@H]3CCCO[C@H]3C1(C)C)C2 ZINC000329801695 497906698 /nfs/dbraw/zinc/90/66/98/497906698.db2.gz JTPNLJUKPNELAK-IAOVAPTHSA-N 1 2 360.502 3.019 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280817748 497909822 /nfs/dbraw/zinc/90/98/22/497909822.db2.gz NDDPHVUWDJMLDC-IBGZPJMESA-N 1 2 371.444 3.105 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1[C@H]1CCCO1 ZINC000329856474 497930383 /nfs/dbraw/zinc/93/03/83/497930383.db2.gz UVHJUDJANAOUQA-APWZRJJASA-N 1 2 360.454 3.325 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1[C@H]1CCCO1 ZINC000329856474 497930390 /nfs/dbraw/zinc/93/03/90/497930390.db2.gz UVHJUDJANAOUQA-APWZRJJASA-N 1 2 360.454 3.325 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)CC3)n2)C1 ZINC000329894472 497942133 /nfs/dbraw/zinc/94/21/33/497942133.db2.gz BHBYOTFIKLMPFL-RDTXWAMCSA-N 1 2 366.531 3.157 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)CC3)n2)C1 ZINC000329894472 497942137 /nfs/dbraw/zinc/94/21/37/497942137.db2.gz BHBYOTFIKLMPFL-RDTXWAMCSA-N 1 2 366.531 3.157 20 30 FGEDLO CCCNc1ccc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000288924515 497944960 /nfs/dbraw/zinc/94/49/60/497944960.db2.gz UZOBGJHJELTIQQ-UHFFFAOYSA-N 1 2 350.413 3.296 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1C ZINC000329906831 497947861 /nfs/dbraw/zinc/94/78/61/497947861.db2.gz KJYPGTRYKPKGRU-BLBBIFAFSA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1C ZINC000329906831 497947867 /nfs/dbraw/zinc/94/78/67/497947867.db2.gz KJYPGTRYKPKGRU-BLBBIFAFSA-N 1 2 366.481 3.286 20 30 FGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1coc(C2CCOCC2)n1 ZINC000329907860 497948124 /nfs/dbraw/zinc/94/81/24/497948124.db2.gz LGGHLYNEWQLPPD-UHFFFAOYSA-N 1 2 370.453 3.459 20 30 FGEDLO CN1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946142 497964650 /nfs/dbraw/zinc/96/46/50/497964650.db2.gz JLUPKLLTLSJKDO-HOTGVXAUSA-N 1 2 366.412 3.329 20 30 FGEDLO CN1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946142 497964659 /nfs/dbraw/zinc/96/46/59/497964659.db2.gz JLUPKLLTLSJKDO-HOTGVXAUSA-N 1 2 366.412 3.329 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccccc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329954366 497967628 /nfs/dbraw/zinc/96/76/28/497967628.db2.gz JYYHKZZIYVYMLV-QGZVFWFLSA-N 1 2 373.476 3.119 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)C1CCOCC1 ZINC000285074576 497986926 /nfs/dbraw/zinc/98/69/26/497986926.db2.gz PHYOBJGEFKWSBT-DUIUGDAFSA-N 1 2 364.449 3.072 20 30 FGEDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000330061123 498008114 /nfs/dbraw/zinc/00/81/14/498008114.db2.gz NUCBXGGUDYJDTM-JKSUJKDBSA-N 1 2 366.408 3.355 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330077341 498011711 /nfs/dbraw/zinc/01/17/11/498011711.db2.gz HKYPRUFPBVZTQY-LJQANCHMSA-N 1 2 354.454 3.412 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330077341 498011715 /nfs/dbraw/zinc/01/17/15/498011715.db2.gz HKYPRUFPBVZTQY-LJQANCHMSA-N 1 2 354.454 3.412 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCOC2(CCCC2)C1 ZINC000330083370 498014332 /nfs/dbraw/zinc/01/43/32/498014332.db2.gz QMQRFJFDUJKREJ-UHFFFAOYSA-N 1 2 364.515 3.320 20 30 FGEDLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1cc(F)cc(C#N)c1 ZINC000285231518 498028174 /nfs/dbraw/zinc/02/81/74/498028174.db2.gz BCINVNSYZHKHIP-UHFFFAOYSA-N 1 2 354.429 3.378 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(C(F)F)CC1)C2 ZINC000330129626 498032772 /nfs/dbraw/zinc/03/27/72/498032772.db2.gz KBSYSGKQYKIXKH-CYBMUJFWSA-N 1 2 354.445 3.387 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330165189 498046574 /nfs/dbraw/zinc/04/65/74/498046574.db2.gz WRVGYGDJPLVBNJ-LSBZLQRGSA-N 1 2 350.434 3.113 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330165189 498046576 /nfs/dbraw/zinc/04/65/76/498046576.db2.gz WRVGYGDJPLVBNJ-LSBZLQRGSA-N 1 2 350.434 3.113 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)[S@]1=O ZINC000289191070 498053013 /nfs/dbraw/zinc/05/30/13/498053013.db2.gz AVVNGUZNJSDDRW-LLFIXNMYSA-N 1 2 370.522 3.195 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)[S@]1=O ZINC000289191070 498053022 /nfs/dbraw/zinc/05/30/22/498053022.db2.gz AVVNGUZNJSDDRW-LLFIXNMYSA-N 1 2 370.522 3.195 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000330190237 498055702 /nfs/dbraw/zinc/05/57/02/498055702.db2.gz MJYCCWLQEHNVTQ-GOSISDBHSA-N 1 2 354.454 3.035 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCC(F)(F)C2)CCO1 ZINC000330194421 498056482 /nfs/dbraw/zinc/05/64/82/498056482.db2.gz OSPUMCSCUYNWLL-FMKPAKJESA-N 1 2 370.444 3.359 20 30 FGEDLO CC[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000330228350 498070039 /nfs/dbraw/zinc/07/00/39/498070039.db2.gz CLACOEIAMZVSKQ-UYAOXDASSA-N 1 2 373.497 3.144 20 30 FGEDLO CN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cn2c([nH+]1)CCCC2 ZINC000330241754 498076675 /nfs/dbraw/zinc/07/66/75/498076675.db2.gz BWUJMCAJINLFJH-UHFFFAOYSA-N 1 2 370.453 3.101 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000301367567 498078050 /nfs/dbraw/zinc/07/80/50/498078050.db2.gz OHGCKMLCLBPWCM-IBGZPJMESA-N 1 2 369.488 3.238 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COc1ccccc1 ZINC000581378451 505975473 /nfs/dbraw/zinc/97/54/73/505975473.db2.gz KLHCHKWDCFWASZ-IBGZPJMESA-N 1 2 351.450 3.164 20 30 FGEDLO COC(=O)c1occc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285479170 498100642 /nfs/dbraw/zinc/10/06/42/498100642.db2.gz LJPGYRAEIPFEKH-UHFFFAOYSA-N 1 2 358.369 3.120 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 ZINC000330335743 498109358 /nfs/dbraw/zinc/10/93/58/498109358.db2.gz RTRRZCQSLHTGHB-KXBFYZLASA-N 1 2 372.444 3.384 20 30 FGEDLO Cc1c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cccc1N(C)C ZINC000330341076 498111407 /nfs/dbraw/zinc/11/14/07/498111407.db2.gz YTXDQLLKQLHJQT-KDOFPFPSSA-N 1 2 357.458 3.041 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000301470443 498123395 /nfs/dbraw/zinc/12/33/95/498123395.db2.gz IYUFWYVKVXXXHF-INIZCTEOSA-N 1 2 371.428 3.197 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc(OC)c1 ZINC000301479229 498126815 /nfs/dbraw/zinc/12/68/15/498126815.db2.gz QUCPIIABUPDYKW-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000330437669 498132823 /nfs/dbraw/zinc/13/28/23/498132823.db2.gz PVICYVVNAPMHFY-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000289592562 498209716 /nfs/dbraw/zinc/20/97/16/498209716.db2.gz JPEOGGQNKCKTET-CQSZACIVSA-N 1 2 374.444 3.406 20 30 FGEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)OCC ZINC000365280625 498384844 /nfs/dbraw/zinc/38/48/44/498384844.db2.gz BLHBXCYSDNSLRI-LJQANCHMSA-N 1 2 370.497 3.015 20 30 FGEDLO N#Cc1ccc(CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000365301510 498395155 /nfs/dbraw/zinc/39/51/55/498395155.db2.gz YXHIQYDHMFQJAH-LJQANCHMSA-N 1 2 360.461 3.361 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365327550 498407608 /nfs/dbraw/zinc/40/76/08/498407608.db2.gz PZPCZPRAJKXHRX-QGZVFWFLSA-N 1 2 352.438 3.046 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365327550 498407616 /nfs/dbraw/zinc/40/76/16/498407616.db2.gz PZPCZPRAJKXHRX-QGZVFWFLSA-N 1 2 352.438 3.046 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(Nc3nc4ccccn4c3C#N)CC2)cc1 ZINC000302158012 498421584 /nfs/dbraw/zinc/42/15/84/498421584.db2.gz JCSLRFSTUZHECV-UHFFFAOYSA-N 1 2 360.465 3.353 20 30 FGEDLO C[NH+](C)c1ccc(N2CCC(Nc3nc4ccccn4c3C#N)CC2)cc1 ZINC000302158012 498421591 /nfs/dbraw/zinc/42/15/91/498421591.db2.gz JCSLRFSTUZHECV-UHFFFAOYSA-N 1 2 360.465 3.353 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000365358377 498423123 /nfs/dbraw/zinc/42/31/23/498423123.db2.gz DGGSDLYHRRPPCJ-QFIPXVFZSA-N 1 2 364.493 3.383 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4cccs4)CC3)n2c1 ZINC000362376431 498507393 /nfs/dbraw/zinc/50/73/93/498507393.db2.gz NUFZNUORBSAZTI-UHFFFAOYSA-N 1 2 350.447 3.362 20 30 FGEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000332163140 498585205 /nfs/dbraw/zinc/58/52/05/498585205.db2.gz ZKOUWTBGRHZUBW-DNVCBOLYSA-N 1 2 368.481 3.105 20 30 FGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000302843282 498599020 /nfs/dbraw/zinc/59/90/20/498599020.db2.gz MYQXJLAGURDDPP-UHFFFAOYSA-N 1 2 366.852 3.284 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000363013462 498603597 /nfs/dbraw/zinc/60/35/97/498603597.db2.gz BFVABTRAAAAZDT-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000363013462 498603601 /nfs/dbraw/zinc/60/36/01/498603601.db2.gz BFVABTRAAAAZDT-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO Cc1c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000303096933 498647523 /nfs/dbraw/zinc/64/75/23/498647523.db2.gz FZKPEQUEOOLWND-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332389262 498672069 /nfs/dbraw/zinc/67/20/69/498672069.db2.gz UYYNOHSYJZBCFW-MRXNPFEDSA-N 1 2 374.460 3.057 20 30 FGEDLO CC[N@H+](CCCNS(=O)(=O)c1cc(C#N)ccc1C)c1ccccc1 ZINC000303560541 498691678 /nfs/dbraw/zinc/69/16/78/498691678.db2.gz ACUOTXYHLGQHMS-UHFFFAOYSA-N 1 2 357.479 3.062 20 30 FGEDLO CC[N@@H+](CCCNS(=O)(=O)c1cc(C#N)ccc1C)c1ccccc1 ZINC000303560541 498691686 /nfs/dbraw/zinc/69/16/86/498691686.db2.gz ACUOTXYHLGQHMS-UHFFFAOYSA-N 1 2 357.479 3.062 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363232797 498716851 /nfs/dbraw/zinc/71/68/51/498716851.db2.gz XRRHRKIWLNLJTM-HRAATJIYSA-N 1 2 371.444 3.187 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363232797 498716856 /nfs/dbraw/zinc/71/68/56/498716856.db2.gz XRRHRKIWLNLJTM-HRAATJIYSA-N 1 2 371.444 3.187 20 30 FGEDLO Cn1c2ccc(CNC(=O)Cc3ccc(OCC#N)cc3)cc2[nH+]c1C1CC1 ZINC000282951023 498722367 /nfs/dbraw/zinc/72/23/67/498722367.db2.gz QKNDRLHGVWMJLM-UHFFFAOYSA-N 1 2 374.444 3.212 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000363340386 498769131 /nfs/dbraw/zinc/76/91/31/498769131.db2.gz PGAKFWGYZMHYDU-VQTJNVASSA-N 1 2 373.460 3.358 20 30 FGEDLO COC(=O)c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c(C#N)n1 ZINC000581909667 506087907 /nfs/dbraw/zinc/08/79/07/506087907.db2.gz MVKIJAOBAJETIU-UHFFFAOYSA-N 1 2 361.405 3.000 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000298678919 498847865 /nfs/dbraw/zinc/84/78/65/498847865.db2.gz XNBOJRVYSJYQBK-HNAYVOBHSA-N 1 2 356.495 3.488 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000298678919 498847871 /nfs/dbraw/zinc/84/78/71/498847871.db2.gz XNBOJRVYSJYQBK-HNAYVOBHSA-N 1 2 356.495 3.488 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283335908 498855243 /nfs/dbraw/zinc/85/52/43/498855243.db2.gz ARAXIWFHEWAKCN-AOIWGVFYSA-N 1 2 372.513 3.090 20 30 FGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000298760844 498871011 /nfs/dbraw/zinc/87/10/11/498871011.db2.gz XJBRJWNPNRFRMS-MJGOQNOKSA-N 1 2 372.428 3.131 20 30 FGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000298760844 498871013 /nfs/dbraw/zinc/87/10/13/498871013.db2.gz XJBRJWNPNRFRMS-MJGOQNOKSA-N 1 2 372.428 3.131 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCOc3c(F)cccc31)CCC2 ZINC000328613856 498875267 /nfs/dbraw/zinc/87/52/67/498875267.db2.gz QRHMMAWVJQHOES-BBRMVZONSA-N 1 2 358.417 3.235 20 30 FGEDLO CC[C@]1(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000328616118 498876316 /nfs/dbraw/zinc/87/63/16/498876316.db2.gz SDUCADZRCFCULN-KBXCAEBGSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@]1(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000328616118 498876324 /nfs/dbraw/zinc/87/63/24/498876324.db2.gz SDUCADZRCFCULN-KBXCAEBGSA-N 1 2 366.531 3.421 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000328661893 498893861 /nfs/dbraw/zinc/89/38/61/498893861.db2.gz WXASVTBSFFUBTA-IXDOHACOSA-N 1 2 360.502 3.262 20 30 FGEDLO COCCCOC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287922021 498902889 /nfs/dbraw/zinc/90/28/89/498902889.db2.gz WEMGHWQAASYWMI-UHFFFAOYSA-N 1 2 367.287 3.338 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@H]1CCOc3ccccc31)CCC2 ZINC000328698884 498906572 /nfs/dbraw/zinc/90/65/72/498906572.db2.gz HWJSKXHGHJPYGR-CVEARBPZSA-N 1 2 354.454 3.139 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@H]1CCOc3ccccc31)CCC2 ZINC000328698884 498906575 /nfs/dbraw/zinc/90/65/75/498906575.db2.gz HWJSKXHGHJPYGR-CVEARBPZSA-N 1 2 354.454 3.139 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000328749400 498925090 /nfs/dbraw/zinc/92/50/90/498925090.db2.gz BNLASOBMLUJRQI-ROUUACIJSA-N 1 2 359.470 3.163 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCCO1 ZINC000328773499 498933705 /nfs/dbraw/zinc/93/37/05/498933705.db2.gz HLQLVNTYVLQITF-ZBFHGGJFSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCCO1 ZINC000328773499 498933711 /nfs/dbraw/zinc/93/37/11/498933711.db2.gz HLQLVNTYVLQITF-ZBFHGGJFSA-N 1 2 366.531 3.421 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(C)n(-c3ccc(C#N)cc3)c1C)CC2 ZINC000363671971 498936824 /nfs/dbraw/zinc/93/68/24/498936824.db2.gz IMWQHZBCAIJNEJ-UHFFFAOYSA-N 1 2 359.433 3.127 20 30 FGEDLO CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000328832243 498953481 /nfs/dbraw/zinc/95/34/81/498953481.db2.gz VKDUTHKWGZVKKX-VQIMIIECSA-N 1 2 358.482 3.450 20 30 FGEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328830582 498953522 /nfs/dbraw/zinc/95/35/22/498953522.db2.gz KNXLPMCZNBCXJH-QGZVFWFLSA-N 1 2 372.444 3.174 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000328861200 498964066 /nfs/dbraw/zinc/96/40/66/498964066.db2.gz ZGJVBVCIKOQEKB-CVEARBPZSA-N 1 2 364.515 3.318 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C2CC2)cc1 ZINC000328930448 498988769 /nfs/dbraw/zinc/98/87/69/498988769.db2.gz AQXLDWALHKWTIR-HIUFNZKISA-N 1 2 372.509 3.264 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C2CC2)cc1 ZINC000328930448 498988775 /nfs/dbraw/zinc/98/87/75/498988775.db2.gz AQXLDWALHKWTIR-HIUFNZKISA-N 1 2 372.509 3.264 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000328990715 499009277 /nfs/dbraw/zinc/00/92/77/499009277.db2.gz IGDXPYHHFVKJCO-AWEZNQCLSA-N 1 2 371.460 3.179 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000329096848 499040484 /nfs/dbraw/zinc/04/04/84/499040484.db2.gz YHFMVLCKGGYNNZ-FHWLQOOXSA-N 1 2 368.481 3.350 20 30 FGEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)CCO2)n1 ZINC000329147582 499055181 /nfs/dbraw/zinc/05/51/81/499055181.db2.gz PBZPLTDQDMWEBM-PKOBYXMFSA-N 1 2 356.470 3.186 20 30 FGEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3cccc(C)c3)CCO2)n1 ZINC000329147582 499055188 /nfs/dbraw/zinc/05/51/88/499055188.db2.gz PBZPLTDQDMWEBM-PKOBYXMFSA-N 1 2 356.470 3.186 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000329254171 499085038 /nfs/dbraw/zinc/08/50/38/499085038.db2.gz ACSMAMPUNIJOKX-OAHLLOKOSA-N 1 2 364.453 3.215 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366838884 499090803 /nfs/dbraw/zinc/09/08/03/499090803.db2.gz LPULUGOZTASKAZ-XFBWCDHKSA-N 1 2 352.841 3.025 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366838884 499090808 /nfs/dbraw/zinc/09/08/08/499090808.db2.gz LPULUGOZTASKAZ-XFBWCDHKSA-N 1 2 352.841 3.025 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC(=O)N1 ZINC000329358687 499107565 /nfs/dbraw/zinc/10/75/65/499107565.db2.gz XEWLRBBQHJDFSY-ZDXROJMESA-N 1 2 351.397 3.422 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC(=O)N1 ZINC000329358687 499107568 /nfs/dbraw/zinc/10/75/68/499107568.db2.gz XEWLRBBQHJDFSY-ZDXROJMESA-N 1 2 351.397 3.422 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2C2CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000329368515 499109844 /nfs/dbraw/zinc/10/98/44/499109844.db2.gz HXXOXYSJJLCKLR-OLMNPRSZSA-N 1 2 358.486 3.471 20 30 FGEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2nccn2C)cc1 ZINC000366920444 499115991 /nfs/dbraw/zinc/11/59/91/499115991.db2.gz GZADVNQEECZDCY-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000329446311 499122615 /nfs/dbraw/zinc/12/26/15/499122615.db2.gz COSVKZCJGUDYTN-RCCFBDPRSA-N 1 2 357.502 3.180 20 30 FGEDLO CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329463208 499125253 /nfs/dbraw/zinc/12/52/53/499125253.db2.gz UGPFDKSCXHOFAH-OAHLLOKOSA-N 1 2 369.469 3.121 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@H]1CCCSC1)C2 ZINC000329467910 499125690 /nfs/dbraw/zinc/12/56/90/499125690.db2.gz WYZWWAOAUXLKBK-KGLIPLIRSA-N 1 2 350.532 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@H]1CCCSC1)C2 ZINC000329467910 499125692 /nfs/dbraw/zinc/12/56/92/499125692.db2.gz WYZWWAOAUXLKBK-KGLIPLIRSA-N 1 2 350.532 3.142 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000364170830 499127151 /nfs/dbraw/zinc/12/71/51/499127151.db2.gz SNOSQHFSSSKXJX-QGZVFWFLSA-N 1 2 366.531 3.195 20 30 FGEDLO C=CCOc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000369965030 499158748 /nfs/dbraw/zinc/15/87/48/499158748.db2.gz POUNKWMPIMJEAD-KRWDZBQOSA-N 1 2 361.438 3.399 20 30 FGEDLO Cc1c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cnn1C ZINC000367269151 499171096 /nfs/dbraw/zinc/17/10/96/499171096.db2.gz FJKJKCWQTUNEPE-QGZVFWFLSA-N 1 2 369.494 3.120 20 30 FGEDLO Cc1c([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cnn1C ZINC000367269151 499171100 /nfs/dbraw/zinc/17/11/00/499171100.db2.gz FJKJKCWQTUNEPE-QGZVFWFLSA-N 1 2 369.494 3.120 20 30 FGEDLO CN(C(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1)C1(C#N)CCCCC1 ZINC000370078282 499176099 /nfs/dbraw/zinc/17/60/99/499176099.db2.gz RSZCJTHIOGHSBR-UHFFFAOYSA-N 1 2 373.522 3.328 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2C)c(C#N)c1C ZINC000367343128 499184917 /nfs/dbraw/zinc/18/49/17/499184917.db2.gz VIDYVWJVKBJNHI-INIZCTEOSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2C)c(C#N)c1C ZINC000367343128 499184918 /nfs/dbraw/zinc/18/49/18/499184918.db2.gz VIDYVWJVKBJNHI-INIZCTEOSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1cccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000367661861 499222455 /nfs/dbraw/zinc/22/24/55/499222455.db2.gz UDJDEZSRKVCCDX-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000367774220 499232634 /nfs/dbraw/zinc/23/26/34/499232634.db2.gz DJOPCFBSBFFMTE-UHFFFAOYSA-N 1 2 369.402 3.119 20 30 FGEDLO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367866990 499239875 /nfs/dbraw/zinc/23/98/75/499239875.db2.gz WILCDKAIBGDHFA-CQSZACIVSA-N 1 2 359.271 3.434 20 30 FGEDLO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367866990 499239877 /nfs/dbraw/zinc/23/98/77/499239877.db2.gz WILCDKAIBGDHFA-CQSZACIVSA-N 1 2 359.271 3.434 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000370761623 499252284 /nfs/dbraw/zinc/25/22/84/499252284.db2.gz PBLQLWSXVJLXIN-HNNXBMFYSA-N 1 2 373.501 3.104 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)OCC ZINC000371062709 499285317 /nfs/dbraw/zinc/28/53/17/499285317.db2.gz LHECHVTVRZYXBB-HKUYNNGSSA-N 1 2 357.454 3.006 20 30 FGEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000371421170 499324840 /nfs/dbraw/zinc/32/48/40/499324840.db2.gz NPQFOFYDBUXRSN-HXUWFJFHSA-N 1 2 372.407 3.356 20 30 FGEDLO COc1ccccc1/C=C/C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371461332 499330099 /nfs/dbraw/zinc/33/00/99/499330099.db2.gz XFEXDFZRIMKGMT-KISUKSLOSA-N 1 2 359.429 3.054 20 30 FGEDLO COc1ccccc1/C=C/C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371461332 499330101 /nfs/dbraw/zinc/33/01/01/499330101.db2.gz XFEXDFZRIMKGMT-KISUKSLOSA-N 1 2 359.429 3.054 20 30 FGEDLO C=CCOCCNC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000371638626 499349316 /nfs/dbraw/zinc/34/93/16/499349316.db2.gz SVQIGQJPHFJMES-UHFFFAOYSA-N 1 2 356.470 3.148 20 30 FGEDLO N#Cc1cccc(OC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000371738962 499360480 /nfs/dbraw/zinc/36/04/80/499360480.db2.gz IIQXBEPVRGLXNI-UHFFFAOYSA-N 1 2 372.428 3.428 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000369134509 499369384 /nfs/dbraw/zinc/36/93/84/499369384.db2.gz NLCRJGCZEJOMMA-SFHVURJKSA-N 1 2 368.506 3.265 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000369134509 499369386 /nfs/dbraw/zinc/36/93/86/499369386.db2.gz NLCRJGCZEJOMMA-SFHVURJKSA-N 1 2 368.506 3.265 20 30 FGEDLO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000371922907 499380069 /nfs/dbraw/zinc/38/00/69/499380069.db2.gz JYYRRTVSKDHLBF-VWLOTQADSA-N 1 2 354.435 3.440 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000375258204 499499856 /nfs/dbraw/zinc/49/98/56/499499856.db2.gz LCXMLTLWSSDWQK-FQEVSTJZSA-N 1 2 368.481 3.293 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000375258204 499499858 /nfs/dbraw/zinc/49/98/58/499499858.db2.gz LCXMLTLWSSDWQK-FQEVSTJZSA-N 1 2 368.481 3.293 20 30 FGEDLO N#Cc1cccc([C@@H]2CN(Cc3cn4cc(Cl)ccc4[nH+]3)CCO2)c1 ZINC000378313259 499500754 /nfs/dbraw/zinc/50/07/54/499500754.db2.gz LYSJFRHNANRNAK-SFHVURJKSA-N 1 2 352.825 3.433 20 30 FGEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)c2c1 ZINC000375657237 499541843 /nfs/dbraw/zinc/54/18/43/499541843.db2.gz LHVULICEAYBFRG-HXUWFJFHSA-N 1 2 361.449 3.396 20 30 FGEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000411143812 499702571 /nfs/dbraw/zinc/70/25/71/499702571.db2.gz ZIUNTDLUNZQTSK-IAGOWNOFSA-N 1 2 363.527 3.199 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411181619 499707577 /nfs/dbraw/zinc/70/75/77/499707577.db2.gz URBRTXWMGHIRAC-GOSISDBHSA-N 1 2 367.474 3.422 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411181619 499707578 /nfs/dbraw/zinc/70/75/78/499707578.db2.gz URBRTXWMGHIRAC-GOSISDBHSA-N 1 2 367.474 3.422 20 30 FGEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000411203438 499710656 /nfs/dbraw/zinc/71/06/56/499710656.db2.gz ZFPXEEJCXDTNTD-HNNXBMFYSA-N 1 2 367.449 3.425 20 30 FGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000411203438 499710658 /nfs/dbraw/zinc/71/06/58/499710658.db2.gz ZFPXEEJCXDTNTD-HNNXBMFYSA-N 1 2 367.449 3.425 20 30 FGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000582217823 506160163 /nfs/dbraw/zinc/16/01/63/506160163.db2.gz YRNHHVYJDIWMTB-UHFFFAOYSA-N 1 2 358.392 3.185 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213584 499927979 /nfs/dbraw/zinc/92/79/79/499927979.db2.gz JTNYCDNWPYXFOC-SJORKVTESA-N 1 2 360.820 3.230 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213584 499927980 /nfs/dbraw/zinc/92/79/80/499927980.db2.gz JTNYCDNWPYXFOC-SJORKVTESA-N 1 2 360.820 3.230 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000428952255 499966985 /nfs/dbraw/zinc/96/69/85/499966985.db2.gz HWUHLLXIGKFSCG-LIRRHRJNSA-N 1 2 360.454 3.270 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000425424887 500102035 /nfs/dbraw/zinc/10/20/35/500102035.db2.gz NYGLOIDQJKQNDB-INIZCTEOSA-N 1 2 363.465 3.325 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425472673 500115322 /nfs/dbraw/zinc/11/53/22/500115322.db2.gz JVXLDSPGWYJVCZ-OUENDJJVSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425472673 500115325 /nfs/dbraw/zinc/11/53/25/500115325.db2.gz JVXLDSPGWYJVCZ-OUENDJJVSA-N 1 2 364.852 3.216 20 30 FGEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000430095370 500191326 /nfs/dbraw/zinc/19/13/26/500191326.db2.gz NCTQRZYGOICHSP-UHFFFAOYSA-N 1 2 352.438 3.150 20 30 FGEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000430095370 500191329 /nfs/dbraw/zinc/19/13/29/500191329.db2.gz NCTQRZYGOICHSP-UHFFFAOYSA-N 1 2 352.438 3.150 20 30 FGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000431426666 500375741 /nfs/dbraw/zinc/37/57/41/500375741.db2.gz JWBIVMODYSBUFP-UHFFFAOYSA-N 1 2 353.376 3.050 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419628579 500386332 /nfs/dbraw/zinc/38/63/32/500386332.db2.gz PYUSCSGDBKKPHY-HNNXBMFYSA-N 1 2 360.889 3.422 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428003882 500456880 /nfs/dbraw/zinc/45/68/80/500456880.db2.gz FGAGZHVISGWZFO-UHFFFAOYSA-N 1 2 362.458 3.439 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)nn1 ZINC000424299119 500483357 /nfs/dbraw/zinc/48/33/57/500483357.db2.gz UXOBKHVTLKKFRX-OAHLLOKOSA-N 1 2 363.259 3.230 20 30 FGEDLO N#Cc1cnc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000432499524 500523733 /nfs/dbraw/zinc/52/37/33/500523733.db2.gz HJDJEYOJRDAEFT-QPJJXVBHSA-N 1 2 366.852 3.078 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)C1=O ZINC000428784428 500556602 /nfs/dbraw/zinc/55/66/02/500556602.db2.gz YDCGYURKNRRATF-COXVUDFISA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)C1=O ZINC000428784428 500556604 /nfs/dbraw/zinc/55/66/04/500556604.db2.gz YDCGYURKNRRATF-COXVUDFISA-N 1 2 368.399 3.254 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421043557 500563098 /nfs/dbraw/zinc/56/30/98/500563098.db2.gz QZKZNSLYWIDGGE-VFNWGFHPSA-N 1 2 373.497 3.111 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421043557 500563100 /nfs/dbraw/zinc/56/31/00/500563100.db2.gz QZKZNSLYWIDGGE-VFNWGFHPSA-N 1 2 373.497 3.111 20 30 FGEDLO C=CCC[C@@H](C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000433108661 500627682 /nfs/dbraw/zinc/62/76/82/500627682.db2.gz AFVQUGQVVXOOFR-RTBURBONSA-N 1 2 352.482 3.365 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000442806034 500628747 /nfs/dbraw/zinc/62/87/47/500628747.db2.gz ZYBJCNOVUDIFIT-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C=CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442898686 500644029 /nfs/dbraw/zinc/64/40/29/500644029.db2.gz IIKONJOUEOJHCK-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000447694824 500647659 /nfs/dbraw/zinc/64/76/59/500647659.db2.gz UFUMCDNBMYYIIB-UHFFFAOYSA-N 1 2 374.492 3.286 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000433232489 500651769 /nfs/dbraw/zinc/65/17/69/500651769.db2.gz MIGCGKGBNZKLIH-FQEVSTJZSA-N 1 2 362.477 3.461 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726077 500654157 /nfs/dbraw/zinc/65/41/57/500654157.db2.gz DHBSGOBDXAADTG-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726077 500654160 /nfs/dbraw/zinc/65/41/60/500654160.db2.gz DHBSGOBDXAADTG-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433259752 500656241 /nfs/dbraw/zinc/65/62/41/500656241.db2.gz JUXIWHIRUKNMLY-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000433259752 500656243 /nfs/dbraw/zinc/65/62/43/500656243.db2.gz JUXIWHIRUKNMLY-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000433320665 500671383 /nfs/dbraw/zinc/67/13/83/500671383.db2.gz VGXLVMXCVMOYQK-SFHVURJKSA-N 1 2 362.408 3.400 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433350454 500678016 /nfs/dbraw/zinc/67/80/16/500678016.db2.gz FQUKKZXLVZDPMA-ICSRJNTNSA-N 1 2 362.477 3.059 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000437938312 500718977 /nfs/dbraw/zinc/71/89/77/500718977.db2.gz XMDRBDQJYXPHGV-MOPGFXCFSA-N 1 2 360.502 3.066 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448225202 500736104 /nfs/dbraw/zinc/73/61/04/500736104.db2.gz VIWBFSYZGGGHLZ-QFIPXVFZSA-N 1 2 357.461 3.255 20 30 FGEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444775364 500897411 /nfs/dbraw/zinc/89/74/11/500897411.db2.gz ICFSHHNTINECLA-LSDHHAIUSA-N 1 2 362.905 3.027 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000444783278 500899511 /nfs/dbraw/zinc/89/95/11/500899511.db2.gz LOAVJRRVNCLNDY-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)COc2ccc(C#N)cc2)c(C)c1 ZINC000441501112 501149354 /nfs/dbraw/zinc/14/93/54/501149354.db2.gz RQOZULPUUXQGJZ-NRFANRHFSA-N 1 2 374.444 3.308 20 30 FGEDLO CN(C)c1ncccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451022681 501239693 /nfs/dbraw/zinc/23/96/93/501239693.db2.gz DLQKIOITVJSKNE-QGZVFWFLSA-N 1 2 356.857 3.326 20 30 FGEDLO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451022681 501239694 /nfs/dbraw/zinc/23/96/94/501239694.db2.gz DLQKIOITVJSKNE-QGZVFWFLSA-N 1 2 356.857 3.326 20 30 FGEDLO C=CCC[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455287896 501263182 /nfs/dbraw/zinc/26/31/82/501263182.db2.gz KKBZADLICYGJNL-QGZVFWFLSA-N 1 2 354.454 3.335 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)[nH+]1 ZINC000455474961 501312982 /nfs/dbraw/zinc/31/29/82/501312982.db2.gz KJUXOYLPANQEMV-UHFFFAOYSA-N 1 2 367.428 3.372 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611671284 506250435 /nfs/dbraw/zinc/25/04/35/506250435.db2.gz VGHNQQLGHNSQFQ-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611671284 506250442 /nfs/dbraw/zinc/25/04/42/506250442.db2.gz VGHNQQLGHNSQFQ-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C1CC1 ZINC000455870418 501403733 /nfs/dbraw/zinc/40/37/33/501403733.db2.gz SFUHZRWITKSPRD-SNVBAGLBSA-N 1 2 366.263 3.066 20 30 FGEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000453883327 501422060 /nfs/dbraw/zinc/42/20/60/501422060.db2.gz SRNTWBVQJVZYGV-UHFFFAOYSA-N 1 2 354.454 3.371 20 30 FGEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)cs1 ZINC000455979864 501430702 /nfs/dbraw/zinc/43/07/02/501430702.db2.gz FCHWUECTLWPZQR-UHFFFAOYSA-N 1 2 369.494 3.371 20 30 FGEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)cs1 ZINC000455979864 501430704 /nfs/dbraw/zinc/43/07/04/501430704.db2.gz FCHWUECTLWPZQR-UHFFFAOYSA-N 1 2 369.494 3.371 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458507215 501461597 /nfs/dbraw/zinc/46/15/97/501461597.db2.gz LWGLQDPLQHIZIN-CABCVRRESA-N 1 2 351.516 3.021 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458507215 501461600 /nfs/dbraw/zinc/46/16/00/501461600.db2.gz LWGLQDPLQHIZIN-CABCVRRESA-N 1 2 351.516 3.021 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458507221 501461667 /nfs/dbraw/zinc/46/16/67/501461667.db2.gz LWGLQDPLQHIZIN-HUUCEWRRSA-N 1 2 351.516 3.021 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458507221 501461669 /nfs/dbraw/zinc/46/16/69/501461669.db2.gz LWGLQDPLQHIZIN-HUUCEWRRSA-N 1 2 351.516 3.021 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)(C)C#N)c(C)c1 ZINC000458580805 501479522 /nfs/dbraw/zinc/47/95/22/501479522.db2.gz RGKVEMKGBMGBDT-SFHVURJKSA-N 1 2 353.470 3.432 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)c[nH+]2)CC1 ZINC000454325768 501514363 /nfs/dbraw/zinc/51/43/63/501514363.db2.gz QRODJEIRUQPZPA-WMZOPIPTSA-N 1 2 355.486 3.199 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000456390270 501515397 /nfs/dbraw/zinc/51/53/97/501515397.db2.gz OXWQFHMISBYDMA-CQSZACIVSA-N 1 2 364.405 3.438 20 30 FGEDLO CC(C)(C#N)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000611689411 506258611 /nfs/dbraw/zinc/25/86/11/506258611.db2.gz HLHJQIJLRAVJHK-OAHLLOKOSA-N 1 2 364.287 3.252 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)c(F)c1)Cc1ccccc1Cl ZINC000456839826 501608773 /nfs/dbraw/zinc/60/87/73/501608773.db2.gz OXBASRXHRCMKKI-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)c(F)c1)Cc1ccccc1Cl ZINC000456839826 501608777 /nfs/dbraw/zinc/60/87/77/501608777.db2.gz OXBASRXHRCMKKI-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO Cc1cc(C)c(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c[nH+]1 ZINC000456842527 501608925 /nfs/dbraw/zinc/60/89/25/501608925.db2.gz PQERFLNJBLTDBB-UHFFFAOYSA-N 1 2 366.440 3.242 20 30 FGEDLO C=C(C)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000454768429 501625622 /nfs/dbraw/zinc/62/56/22/501625622.db2.gz BWNSASLESZHRHI-UHFFFAOYSA-N 1 2 365.275 3.213 20 30 FGEDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ncc1C#N ZINC000457491994 501709561 /nfs/dbraw/zinc/70/95/61/501709561.db2.gz VOZWYHXAIAXZFA-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ncc1C#N ZINC000457491994 501709563 /nfs/dbraw/zinc/70/95/63/501709563.db2.gz VOZWYHXAIAXZFA-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459782953 501713286 /nfs/dbraw/zinc/71/32/86/501713286.db2.gz HQJPYWPCEXIVIX-QWHCGFSZSA-N 1 2 371.510 3.300 20 30 FGEDLO N#Cc1ccc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)s1 ZINC000463481256 501736602 /nfs/dbraw/zinc/73/66/02/501736602.db2.gz LHRWGKPQFHBYKR-UHFFFAOYSA-N 1 2 362.462 3.290 20 30 FGEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)s1 ZINC000463481256 501736605 /nfs/dbraw/zinc/73/66/05/501736605.db2.gz LHRWGKPQFHBYKR-UHFFFAOYSA-N 1 2 362.462 3.290 20 30 FGEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)OCC ZINC000474657576 501912050 /nfs/dbraw/zinc/91/20/50/501912050.db2.gz LVDHSDMYQQTZFC-GOSISDBHSA-N 1 2 350.890 3.186 20 30 FGEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)OCC ZINC000474657576 501912052 /nfs/dbraw/zinc/91/20/52/501912052.db2.gz LVDHSDMYQQTZFC-GOSISDBHSA-N 1 2 350.890 3.186 20 30 FGEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C1CCCCC1 ZINC000471146335 501934198 /nfs/dbraw/zinc/93/41/98/501934198.db2.gz ZBAZDYFAUUVMGH-NRFANRHFSA-N 1 2 368.525 3.050 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)C(F)(F)F ZINC000461394350 502092167 /nfs/dbraw/zinc/09/21/67/502092167.db2.gz JAQWRQOJYQALOE-LBPRGKRZSA-N 1 2 356.157 3.499 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C(F)(F)F ZINC000461394350 502092173 /nfs/dbraw/zinc/09/21/73/502092173.db2.gz JAQWRQOJYQALOE-LBPRGKRZSA-N 1 2 356.157 3.499 20 30 FGEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2[nH+]1 ZINC000471667091 502102997 /nfs/dbraw/zinc/10/29/97/502102997.db2.gz FBEZJNWLBYSXOS-MRXNPFEDSA-N 1 2 374.448 3.302 20 30 FGEDLO C[C@@H]1CN(c2ccc(NCc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000475431810 502169995 /nfs/dbraw/zinc/16/99/95/502169995.db2.gz OZIADMCRJAUVSC-CHWSQXEVSA-N 1 2 358.392 3.457 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(C4CCC4)no3)CC2)c1 ZINC000602792135 506300668 /nfs/dbraw/zinc/30/06/68/506300668.db2.gz WNPYDAYIPGAUFR-UHFFFAOYSA-N 1 2 365.437 3.059 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000602795942 506302552 /nfs/dbraw/zinc/30/25/52/506302552.db2.gz PGFQIJWXRKAYGQ-AXVVYFOYSA-N 1 2 370.497 3.452 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000602795942 506302556 /nfs/dbraw/zinc/30/25/56/506302556.db2.gz PGFQIJWXRKAYGQ-AXVVYFOYSA-N 1 2 370.497 3.452 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000486796012 502265236 /nfs/dbraw/zinc/26/52/36/502265236.db2.gz ACXAAQGLSSPHRP-UHFFFAOYSA-N 1 2 365.477 3.202 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)c1 ZINC000475752946 502280504 /nfs/dbraw/zinc/28/05/04/502280504.db2.gz FTMZDIZUIUYCMO-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596198254 506305438 /nfs/dbraw/zinc/30/54/38/506305438.db2.gz XIJYWTJWAMTLHJ-CYBMUJFWSA-N 1 2 357.439 3.115 20 30 FGEDLO C[C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)c1cccc(C#N)c1 ZINC000462199192 502346397 /nfs/dbraw/zinc/34/63/97/502346397.db2.gz LKRSFYPSCNTWJE-KRWDZBQOSA-N 1 2 358.445 3.417 20 30 FGEDLO C[C@@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)c1cccc(C#N)c1 ZINC000462199193 502346999 /nfs/dbraw/zinc/34/69/99/502346999.db2.gz LKRSFYPSCNTWJE-QGZVFWFLSA-N 1 2 358.445 3.417 20 30 FGEDLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483405615 502377003 /nfs/dbraw/zinc/37/70/03/502377003.db2.gz KTJRWEVRXNALMD-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483405615 502377010 /nfs/dbraw/zinc/37/70/10/502377010.db2.gz KTJRWEVRXNALMD-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO Fc1cccc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c1F ZINC000469591074 502474805 /nfs/dbraw/zinc/47/48/05/502474805.db2.gz PEKWMFBAFOKHSI-UHFFFAOYSA-N 1 2 374.300 3.301 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000466086976 502474903 /nfs/dbraw/zinc/47/49/03/502474903.db2.gz QEDCGFRMMJYHID-NHCUHLMSSA-N 1 2 366.509 3.354 20 30 FGEDLO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480257243 502514826 /nfs/dbraw/zinc/51/48/26/502514826.db2.gz OWUOVZZRMYYPJZ-UHFFFAOYSA-N 1 2 354.454 3.133 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000484020743 502551746 /nfs/dbraw/zinc/55/17/46/502551746.db2.gz SCJQYDCPOTWAGH-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000484020743 502551748 /nfs/dbraw/zinc/55/17/48/502551748.db2.gz SCJQYDCPOTWAGH-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000484079154 502564158 /nfs/dbraw/zinc/56/41/58/502564158.db2.gz DZFHONBFGPMAMF-NRFANRHFSA-N 1 2 360.457 3.466 20 30 FGEDLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000484079154 502564162 /nfs/dbraw/zinc/56/41/62/502564162.db2.gz DZFHONBFGPMAMF-NRFANRHFSA-N 1 2 360.457 3.466 20 30 FGEDLO Cc1nc(N2CC[NH+](CCOc3ccccc3Cl)CC2)ccc1C#N ZINC000487916809 502565495 /nfs/dbraw/zinc/56/54/95/502565495.db2.gz MTFPNILRVFPRIH-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466816008 502691585 /nfs/dbraw/zinc/69/15/85/502691585.db2.gz MJYCMMJACVYYLM-OAQYLSRUSA-N 1 2 363.461 3.293 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466816008 502691591 /nfs/dbraw/zinc/69/15/91/502691591.db2.gz MJYCMMJACVYYLM-OAQYLSRUSA-N 1 2 363.461 3.293 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000484689878 502709134 /nfs/dbraw/zinc/70/91/34/502709134.db2.gz NDMQHNUYRZHJHA-UHFFFAOYSA-N 1 2 354.410 3.334 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000484689878 502709143 /nfs/dbraw/zinc/70/91/43/502709143.db2.gz NDMQHNUYRZHJHA-UHFFFAOYSA-N 1 2 354.410 3.334 20 30 FGEDLO CCc1sc(-c2nnc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)o2)cc1C ZINC000602856465 506329951 /nfs/dbraw/zinc/32/99/51/506329951.db2.gz JVWDHFCWBOASMW-OKILXGFUSA-N 1 2 359.499 3.087 20 30 FGEDLO CCc1sc(-c2nnc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)o2)cc1C ZINC000602856465 506329957 /nfs/dbraw/zinc/32/99/57/506329957.db2.gz JVWDHFCWBOASMW-OKILXGFUSA-N 1 2 359.499 3.087 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)N1CC#N ZINC000602866182 506330464 /nfs/dbraw/zinc/33/04/64/506330464.db2.gz VBNXKBYYNSYUGZ-HDICACEKSA-N 1 2 362.477 3.210 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)N1CC#N ZINC000602866182 506330470 /nfs/dbraw/zinc/33/04/70/506330470.db2.gz VBNXKBYYNSYUGZ-HDICACEKSA-N 1 2 362.477 3.210 20 30 FGEDLO COC(=O)C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000477305869 502736979 /nfs/dbraw/zinc/73/69/79/502736979.db2.gz UWNRBRVQONALNX-UHFFFAOYSA-N 1 2 374.387 3.281 20 30 FGEDLO COC(=O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000477305869 502736985 /nfs/dbraw/zinc/73/69/85/502736985.db2.gz UWNRBRVQONALNX-UHFFFAOYSA-N 1 2 374.387 3.281 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000602864530 506331205 /nfs/dbraw/zinc/33/12/05/506331205.db2.gz RTKXPUIPYANQNN-JSGCOSHPSA-N 1 2 358.492 3.379 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000602871200 506332685 /nfs/dbraw/zinc/33/26/85/506332685.db2.gz ZDOPGZFAXWEHDF-VQIMIIECSA-N 1 2 360.461 3.308 20 30 FGEDLO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100271 502821203 /nfs/dbraw/zinc/82/12/03/502821203.db2.gz ZCPHIZANLPPDML-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100271 502821205 /nfs/dbraw/zinc/82/12/05/502821205.db2.gz ZCPHIZANLPPDML-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000500834165 502874195 /nfs/dbraw/zinc/87/41/95/502874195.db2.gz JOCAWBORZZJINU-MBOZVWFJSA-N 1 2 354.498 3.210 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3OC)C2)cc1 ZINC000505525058 502926945 /nfs/dbraw/zinc/92/69/45/502926945.db2.gz ZBIKRITYMUGUID-IBGZPJMESA-N 1 2 352.434 3.047 20 30 FGEDLO CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000505563773 502937092 /nfs/dbraw/zinc/93/70/92/502937092.db2.gz BAXCFJNXSRJWKK-VQTJNVASSA-N 1 2 354.498 3.354 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)nc1 ZINC000497496184 502973318 /nfs/dbraw/zinc/97/33/18/502973318.db2.gz VJNJVGWLMUKWQT-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593027908 506345076 /nfs/dbraw/zinc/34/50/76/506345076.db2.gz ZXZYYPKTPJKGJW-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593027908 506345084 /nfs/dbraw/zinc/34/50/84/506345084.db2.gz ZXZYYPKTPJKGJW-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1C ZINC000509811986 502990729 /nfs/dbraw/zinc/99/07/29/502990729.db2.gz LTBIHOCVJXWZIZ-UHFFFAOYSA-N 1 2 367.424 3.408 20 30 FGEDLO N#Cc1ccccc1OCCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000497605735 502998424 /nfs/dbraw/zinc/99/84/24/502998424.db2.gz PJYVDFPFVMCZPU-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000489777106 503032064 /nfs/dbraw/zinc/03/20/64/503032064.db2.gz PBFQAHVHCKXAPA-DYESRHJHSA-N 1 2 372.513 3.007 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000489777106 503032067 /nfs/dbraw/zinc/03/20/67/503032067.db2.gz PBFQAHVHCKXAPA-DYESRHJHSA-N 1 2 372.513 3.007 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1C#N)c1cccc(F)c1 ZINC000506116084 503051768 /nfs/dbraw/zinc/05/17/68/503051768.db2.gz PKKLLWVWBHJGBN-LJQANCHMSA-N 1 2 366.371 3.018 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510429056 503113045 /nfs/dbraw/zinc/11/30/45/503113045.db2.gz UKXKMDACKPKLSW-MRXNPFEDSA-N 1 2 370.472 3.183 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000506638790 503147660 /nfs/dbraw/zinc/14/76/60/503147660.db2.gz FYNCJMFBQCSGPM-UHFFFAOYSA-N 1 2 365.477 3.008 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000514722602 503177586 /nfs/dbraw/zinc/17/75/86/503177586.db2.gz VRIDSQOKZHOQLG-QUCCMNQESA-N 1 2 362.433 3.194 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548072 503222527 /nfs/dbraw/zinc/22/25/27/503222527.db2.gz HRIYNYDHWNZVKZ-MRXNPFEDSA-N 1 2 363.465 3.025 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548072 503222529 /nfs/dbraw/zinc/22/25/29/503222529.db2.gz HRIYNYDHWNZVKZ-MRXNPFEDSA-N 1 2 363.465 3.025 20 30 FGEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)CC2)c1 ZINC000502671414 503248610 /nfs/dbraw/zinc/24/86/10/503248610.db2.gz XBBGHQZRFFWNKR-UHFFFAOYSA-N 1 2 363.436 3.073 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000507214701 503251712 /nfs/dbraw/zinc/25/17/12/503251712.db2.gz WWDSQLSDTDQRKS-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000507278430 503267914 /nfs/dbraw/zinc/26/79/14/503267914.db2.gz LRDPSXNYYCIZGG-UHFFFAOYSA-N 1 2 369.852 3.305 20 30 FGEDLO CC(C)O[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055780 506364262 /nfs/dbraw/zinc/36/42/62/506364262.db2.gz PBJOXDMOVJSMPY-KGLIPLIRSA-N 1 2 361.511 3.325 20 30 FGEDLO CC(C)O[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055780 506364272 /nfs/dbraw/zinc/36/42/72/506364272.db2.gz PBJOXDMOVJSMPY-KGLIPLIRSA-N 1 2 361.511 3.325 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(CC2)C(F)(F)C3(F)F)C1=O ZINC000593055438 506364786 /nfs/dbraw/zinc/36/47/86/506364786.db2.gz UWSWQWQZPUHYSK-LLVKDONJSA-N 1 2 373.375 3.091 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492658647 503378768 /nfs/dbraw/zinc/37/87/68/503378768.db2.gz LEGOOPHZCGPLBD-HNAYVOBHSA-N 1 2 360.417 3.297 20 30 FGEDLO C=C(C)CCSCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000507862440 503382240 /nfs/dbraw/zinc/38/22/40/503382240.db2.gz WMZOILBCEHIBLX-UHFFFAOYSA-N 1 2 362.543 3.256 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)OCC ZINC000508288725 503468849 /nfs/dbraw/zinc/46/88/49/503468849.db2.gz OBRNDTPVFJCFIU-NQIIRXRSSA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)OCC ZINC000508288725 503468854 /nfs/dbraw/zinc/46/88/54/503468854.db2.gz OBRNDTPVFJCFIU-NQIIRXRSSA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000512162056 503473397 /nfs/dbraw/zinc/47/33/97/503473397.db2.gz ALFVSMOSTMSXDL-OAHLLOKOSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000512162056 503473402 /nfs/dbraw/zinc/47/34/02/503473402.db2.gz ALFVSMOSTMSXDL-OAHLLOKOSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000512171029 503475842 /nfs/dbraw/zinc/47/58/42/503475842.db2.gz VQIHOWRRBCCAMN-CYBMUJFWSA-N 1 2 363.483 3.251 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000512171029 503475848 /nfs/dbraw/zinc/47/58/48/503475848.db2.gz VQIHOWRRBCCAMN-CYBMUJFWSA-N 1 2 363.483 3.251 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000508333896 503477180 /nfs/dbraw/zinc/47/71/80/503477180.db2.gz YKZBFOPICLQQLO-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000508333896 503477182 /nfs/dbraw/zinc/47/71/82/503477182.db2.gz YKZBFOPICLQQLO-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000512217891 503489588 /nfs/dbraw/zinc/48/95/88/503489588.db2.gz HVOJLSDHVQMWOG-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512427710 503547002 /nfs/dbraw/zinc/54/70/02/503547002.db2.gz NEPSHQTXJVTYCA-NRFANRHFSA-N 1 2 368.477 3.344 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512427710 503547006 /nfs/dbraw/zinc/54/70/06/503547006.db2.gz NEPSHQTXJVTYCA-NRFANRHFSA-N 1 2 368.477 3.344 20 30 FGEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508859966 503581238 /nfs/dbraw/zinc/58/12/38/503581238.db2.gz XSIILHKYVYOTCY-AWEZNQCLSA-N 1 2 370.482 3.064 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000527049838 503658893 /nfs/dbraw/zinc/65/88/93/503658893.db2.gz AXQGCJLCCQPEAB-AWEZNQCLSA-N 1 2 359.420 3.395 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000532946456 503669248 /nfs/dbraw/zinc/66/92/48/503669248.db2.gz RPQLUCQAJRZZMF-HZPDHXFCSA-N 1 2 353.466 3.287 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000532946456 503669255 /nfs/dbraw/zinc/66/92/55/503669255.db2.gz RPQLUCQAJRZZMF-HZPDHXFCSA-N 1 2 353.466 3.287 20 30 FGEDLO C=C1CC[NH+]([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000533417634 503837296 /nfs/dbraw/zinc/83/72/96/503837296.db2.gz CVHQXRKUUUGVID-GFCCVEGCSA-N 1 2 367.371 3.031 20 30 FGEDLO C=C1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 ZINC000533417635 503837361 /nfs/dbraw/zinc/83/73/61/503837361.db2.gz CVHQXRKUUUGVID-LBPRGKRZSA-N 1 2 367.371 3.031 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546708119 503846477 /nfs/dbraw/zinc/84/64/77/503846477.db2.gz VDJKUPZHAJJFDP-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000518287140 503944096 /nfs/dbraw/zinc/94/40/96/503944096.db2.gz NBHAKTWCJJBSTI-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C(=O)OC)c1C#N ZINC000533775330 503948533 /nfs/dbraw/zinc/94/85/33/503948533.db2.gz JOXCWVQMNHMFEQ-UHFFFAOYSA-N 1 2 352.390 3.096 20 30 FGEDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C(=O)OC)c1C#N ZINC000533775330 503948539 /nfs/dbraw/zinc/94/85/39/503948539.db2.gz JOXCWVQMNHMFEQ-UHFFFAOYSA-N 1 2 352.390 3.096 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1C#N ZINC000533776389 503949519 /nfs/dbraw/zinc/94/95/19/503949519.db2.gz RMTRJLXVQSCQKB-FOIQADDNSA-N 1 2 350.418 3.307 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1C#N ZINC000533776389 503949524 /nfs/dbraw/zinc/94/95/24/503949524.db2.gz RMTRJLXVQSCQKB-FOIQADDNSA-N 1 2 350.418 3.307 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541162637 504027760 /nfs/dbraw/zinc/02/77/60/504027760.db2.gz BOZAQEATVSGARD-PZPSRYQVSA-N 1 2 370.415 3.337 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541162637 504027765 /nfs/dbraw/zinc/02/77/65/504027765.db2.gz BOZAQEATVSGARD-PZPSRYQVSA-N 1 2 370.415 3.337 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201520 504040076 /nfs/dbraw/zinc/04/00/76/504040076.db2.gz PAVGXETZFRVECK-HXUWFJFHSA-N 1 2 366.465 3.161 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)c(Cl)c1 ZINC000528475492 504240232 /nfs/dbraw/zinc/24/02/32/504240232.db2.gz GBLJGRBZWKIJDR-UHFFFAOYSA-N 1 2 359.832 3.165 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000534864209 504264103 /nfs/dbraw/zinc/26/41/03/504264103.db2.gz YZENDPGBQFKUFN-UHFFFAOYSA-N 1 2 369.856 3.122 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000528573253 504276942 /nfs/dbraw/zinc/27/69/42/504276942.db2.gz DMTYLEBJQDNUAJ-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO C=CCSCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000541902348 504297746 /nfs/dbraw/zinc/29/77/46/504297746.db2.gz HIMMROWFBMEDSK-CYBMUJFWSA-N 1 2 354.545 3.416 20 30 FGEDLO C=CCSCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000541902348 504297752 /nfs/dbraw/zinc/29/77/52/504297752.db2.gz HIMMROWFBMEDSK-CYBMUJFWSA-N 1 2 354.545 3.416 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000545295222 504434074 /nfs/dbraw/zinc/43/40/74/504434074.db2.gz HKOCZDPVNBGGQA-UHFFFAOYSA-N 1 2 363.421 3.437 20 30 FGEDLO Cc1c(Cl)cnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000542280198 504438024 /nfs/dbraw/zinc/43/80/24/504438024.db2.gz SAEOTSAADUZFIH-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539210298 504498693 /nfs/dbraw/zinc/49/86/93/504498693.db2.gz LMUYTTHWUZOMCI-INIZCTEOSA-N 1 2 359.433 3.310 20 30 FGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545504037 504509569 /nfs/dbraw/zinc/50/95/69/504509569.db2.gz REMXMCVNZJPLFX-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848933 504596607 /nfs/dbraw/zinc/59/66/07/504596607.db2.gz AARZFGZTUNFTDJ-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848933 504596615 /nfs/dbraw/zinc/59/66/15/504596615.db2.gz AARZFGZTUNFTDJ-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848933 504596618 /nfs/dbraw/zinc/59/66/18/504596618.db2.gz AARZFGZTUNFTDJ-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO Cn1c[nH+]cc1Cc1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 ZINC000545843093 504611034 /nfs/dbraw/zinc/61/10/34/504611034.db2.gz LTDROFKKDZRAAZ-FPLPWBNLSA-N 1 2 358.405 3.433 20 30 FGEDLO CC[N@H+](CCC#N)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568048 504611408 /nfs/dbraw/zinc/61/14/08/504611408.db2.gz VYHHZFMYRMSVPU-INIZCTEOSA-N 1 2 353.388 3.432 20 30 FGEDLO CC[N@@H+](CCC#N)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568048 504611412 /nfs/dbraw/zinc/61/14/12/504611412.db2.gz VYHHZFMYRMSVPU-INIZCTEOSA-N 1 2 353.388 3.432 20 30 FGEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000548913168 504616855 /nfs/dbraw/zinc/61/68/55/504616855.db2.gz KDAKQTNWIYFHFK-CQSZACIVSA-N 1 2 361.440 3.188 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000542924613 504659194 /nfs/dbraw/zinc/65/91/94/504659194.db2.gz JUOBGBDTDKPZTK-UHFFFAOYSA-N 1 2 374.404 3.045 20 30 FGEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000539864146 504722030 /nfs/dbraw/zinc/72/20/30/504722030.db2.gz SPQHOYCTURNMSP-JKSUJKDBSA-N 1 2 373.497 3.065 20 30 FGEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000539864146 504722034 /nfs/dbraw/zinc/72/20/34/504722034.db2.gz SPQHOYCTURNMSP-JKSUJKDBSA-N 1 2 373.497 3.065 20 30 FGEDLO CCOC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000529667380 504756138 /nfs/dbraw/zinc/75/61/38/504756138.db2.gz UPQGPJRYEXXGGD-JOCHJYFZSA-N 1 2 366.461 3.375 20 30 FGEDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000529667380 504756142 /nfs/dbraw/zinc/75/61/42/504756142.db2.gz UPQGPJRYEXXGGD-JOCHJYFZSA-N 1 2 366.461 3.375 20 30 FGEDLO N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=[NH+]Cc1cn2ccsc2n1 ZINC000552925407 504788523 /nfs/dbraw/zinc/78/85/23/504788523.db2.gz PGZLQQNLRKAPGD-UHFFFAOYSA-N 1 2 359.336 3.267 20 30 FGEDLO C[C@@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000549404739 504812055 /nfs/dbraw/zinc/81/20/55/504812055.db2.gz XSOXUNIRJACSEQ-OAHLLOKOSA-N 1 2 359.433 3.001 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000559299749 504824265 /nfs/dbraw/zinc/82/42/65/504824265.db2.gz MSYJXMCYDBNFMB-PBHICJAKSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000559299749 504824268 /nfs/dbraw/zinc/82/42/68/504824268.db2.gz MSYJXMCYDBNFMB-PBHICJAKSA-N 1 2 355.438 3.354 20 30 FGEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc2c(s1)CCC2 ZINC000562706234 504915966 /nfs/dbraw/zinc/91/59/66/504915966.db2.gz IMKDOWQOFXNRQI-GXFFZTMASA-N 1 2 358.492 3.021 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccccc1C ZINC000559997514 504967049 /nfs/dbraw/zinc/96/70/49/504967049.db2.gz YAZMBDHAWKRCOA-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccccc1C ZINC000559997514 504967052 /nfs/dbraw/zinc/96/70/52/504967052.db2.gz YAZMBDHAWKRCOA-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000550306342 505017264 /nfs/dbraw/zinc/01/72/64/505017264.db2.gz XDERGMOJRAQLRX-GXTWGEPZSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000550306342 505017265 /nfs/dbraw/zinc/01/72/65/505017265.db2.gz XDERGMOJRAQLRX-GXTWGEPZSA-N 1 2 354.429 3.384 20 30 FGEDLO N#Cc1cscc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000560219460 505021297 /nfs/dbraw/zinc/02/12/97/505021297.db2.gz IIQDUMAGJXUYJD-UHFFFAOYSA-N 1 2 350.447 3.379 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCc4ccc(C#N)cc43)c2C1 ZINC000550353030 505027915 /nfs/dbraw/zinc/02/79/15/505027915.db2.gz CUITYNGFWGWRBH-UHFFFAOYSA-N 1 2 368.440 3.297 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCc4ccc(C#N)cc43)c2C1 ZINC000550353030 505027920 /nfs/dbraw/zinc/02/79/20/505027920.db2.gz CUITYNGFWGWRBH-UHFFFAOYSA-N 1 2 368.440 3.297 20 30 FGEDLO C[C@@H](Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000563220006 505079681 /nfs/dbraw/zinc/07/96/81/505079681.db2.gz DEMPTYGEPIHXGC-IERDGZPVSA-N 1 2 351.450 3.400 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000554077334 505082199 /nfs/dbraw/zinc/08/21/99/505082199.db2.gz VNXFQCAQQVMEEJ-UHFFFAOYSA-N 1 2 373.412 3.471 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1C ZINC000551086100 505154406 /nfs/dbraw/zinc/15/44/06/505154406.db2.gz ISVVYMIOHFMMOP-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1C ZINC000551086100 505154410 /nfs/dbraw/zinc/15/44/10/505154410.db2.gz ISVVYMIOHFMMOP-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000557584080 505175516 /nfs/dbraw/zinc/17/55/16/505175516.db2.gz RKOCOYJXBIACDN-SFHVURJKSA-N 1 2 357.408 3.208 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)N1CCC(CCC#N)CC1)c1c(F)cccc1F ZINC000563885844 505266976 /nfs/dbraw/zinc/26/69/76/505266976.db2.gz XUFLQGHENHMZON-QGZVFWFLSA-N 1 2 364.440 3.293 20 30 FGEDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O ZINC000554982701 505320107 /nfs/dbraw/zinc/32/01/07/505320107.db2.gz WWPZGLJMVSRGSW-NRFANRHFSA-N 1 2 362.433 3.352 20 30 FGEDLO CCn1c2cc(Br)ccc2[nH+]c1NCc1nc(C#N)cs1 ZINC000567039545 505346069 /nfs/dbraw/zinc/34/60/69/505346069.db2.gz WQJXNLMWAOEKLQ-UHFFFAOYSA-N 1 2 362.256 3.181 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555592411 505466210 /nfs/dbraw/zinc/46/62/10/505466210.db2.gz QYILDQUDNRHKIX-IBGZPJMESA-N 1 2 353.853 3.145 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555592411 505466213 /nfs/dbraw/zinc/46/62/13/505466213.db2.gz QYILDQUDNRHKIX-IBGZPJMESA-N 1 2 353.853 3.145 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000552537237 505509922 /nfs/dbraw/zinc/50/99/22/505509922.db2.gz QFAXWEGRUOJROZ-LBPRGKRZSA-N 1 2 367.371 3.053 20 30 FGEDLO COc1cc2cc[nH+]cc2cc1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC000562210580 505540966 /nfs/dbraw/zinc/54/09/66/505540966.db2.gz JZQHTQKUKWHUFH-GOSISDBHSA-N 1 2 364.401 3.128 20 30 FGEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)n1 ZINC000562245613 505550944 /nfs/dbraw/zinc/55/09/44/505550944.db2.gz HOKMHWNISULFJH-UHFFFAOYSA-N 1 2 360.446 3.036 20 30 FGEDLO C=CCCSCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596413227 506393768 /nfs/dbraw/zinc/39/37/68/506393768.db2.gz GFAZKTOVJJYIEW-UHFFFAOYSA-N 1 2 351.472 3.148 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277591 506396068 /nfs/dbraw/zinc/39/60/68/506396068.db2.gz OKXOMDLDYZCGEE-NHYWBVRUSA-N 1 2 350.260 3.184 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277591 506396073 /nfs/dbraw/zinc/39/60/73/506396073.db2.gz OKXOMDLDYZCGEE-NHYWBVRUSA-N 1 2 350.260 3.184 20 30 FGEDLO Cc1cc(N2CCN(c3ccc(Br)cc3)CC2)c(C#N)c[nH+]1 ZINC000596456919 506414773 /nfs/dbraw/zinc/41/47/73/506414773.db2.gz UOCZMEZMGNBGQF-UHFFFAOYSA-N 1 2 357.255 3.351 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)CC2 ZINC000599421958 506449276 /nfs/dbraw/zinc/44/92/76/506449276.db2.gz KHJCSFIIAZDXQG-DZGCQCFKSA-N 1 2 362.355 3.154 20 30 FGEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc2n1C ZINC000593276127 506507365 /nfs/dbraw/zinc/50/73/65/506507365.db2.gz NSGOUYKAVPJPFN-UHFFFAOYSA-N 1 2 368.462 3.484 20 30 FGEDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000593279703 506509065 /nfs/dbraw/zinc/50/90/65/506509065.db2.gz JIHMPJWPCFDNFL-UHFFFAOYSA-N 1 2 355.463 3.234 20 30 FGEDLO C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000593279703 506509070 /nfs/dbraw/zinc/50/90/70/506509070.db2.gz JIHMPJWPCFDNFL-UHFFFAOYSA-N 1 2 355.463 3.234 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N ZINC000599589882 506516556 /nfs/dbraw/zinc/51/65/56/506516556.db2.gz OSPXJMQXEFTWQU-GDBMZVCRSA-N 1 2 372.465 3.145 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N ZINC000599589882 506516565 /nfs/dbraw/zinc/51/65/65/506516565.db2.gz OSPXJMQXEFTWQU-GDBMZVCRSA-N 1 2 372.465 3.145 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597300 506521448 /nfs/dbraw/zinc/52/14/48/506521448.db2.gz RWOATWNVWNUFQA-INMHGKMJSA-N 1 2 371.481 3.185 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597300 506521453 /nfs/dbraw/zinc/52/14/53/506521453.db2.gz RWOATWNVWNUFQA-INMHGKMJSA-N 1 2 371.481 3.185 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(C(F)(F)F)c1 ZINC000589495022 506567807 /nfs/dbraw/zinc/56/78/07/506567807.db2.gz RRKQVYWZEPQKRG-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000599684536 506578356 /nfs/dbraw/zinc/57/83/56/506578356.db2.gz YAFWPFDFPCWKEN-QUCCMNQESA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000599684536 506578363 /nfs/dbraw/zinc/57/83/63/506578363.db2.gz YAFWPFDFPCWKEN-QUCCMNQESA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000599684534 506579209 /nfs/dbraw/zinc/57/92/09/506579209.db2.gz YAFWPFDFPCWKEN-AZUAARDMSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000599684534 506579216 /nfs/dbraw/zinc/57/92/16/506579216.db2.gz YAFWPFDFPCWKEN-AZUAARDMSA-N 1 2 374.431 3.496 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCCNc3cccc[nH+]3)cn2)c1 ZINC000603692595 506598086 /nfs/dbraw/zinc/59/80/86/506598086.db2.gz MNAWUNSTMXTAGL-UHFFFAOYSA-N 1 2 374.404 3.374 20 30 FGEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593456868 506629377 /nfs/dbraw/zinc/62/93/77/506629377.db2.gz GWXOTPBGEMQYMF-GOSISDBHSA-N 1 2 350.466 3.440 20 30 FGEDLO CS(=O)(=O)c1ccc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593515659 506666192 /nfs/dbraw/zinc/66/61/92/506666192.db2.gz QCFTUEQRPAJLIB-UHFFFAOYSA-N 1 2 369.490 3.038 20 30 FGEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4cccc(F)c4)CC3)cc2)CC1 ZINC000596979762 506709431 /nfs/dbraw/zinc/70/94/31/506709431.db2.gz NRAHPVWGNOQYEX-UHFFFAOYSA-N 1 2 363.436 3.339 20 30 FGEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000590131376 506746011 /nfs/dbraw/zinc/74/60/11/506746011.db2.gz KYAHINQLQUJMLE-UHFFFAOYSA-N 1 2 351.372 3.043 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131843 506785987 /nfs/dbraw/zinc/78/59/87/506785987.db2.gz YMYPJNWJBGKFAA-MJGOQNOKSA-N 1 2 352.438 3.022 20 30 FGEDLO Cc1cn2ccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2[nH+]1 ZINC000597128925 506791014 /nfs/dbraw/zinc/79/10/14/506791014.db2.gz KQJXEFVXKLRVOO-UHFFFAOYSA-N 1 2 360.421 3.127 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597131567 506792270 /nfs/dbraw/zinc/79/22/70/506792270.db2.gz AHAIRAYXDBDABT-CYBMUJFWSA-N 1 2 373.378 3.495 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000593969013 506857552 /nfs/dbraw/zinc/85/75/52/506857552.db2.gz WOLAAYMAUKTKAZ-OAQYLSRUSA-N 1 2 364.493 3.326 20 30 FGEDLO Cc1cc(N2CCN(c3nc(C#N)c(Cl)s3)CC2)nc(C(C)C)[nH+]1 ZINC000590573338 506864817 /nfs/dbraw/zinc/86/48/17/506864817.db2.gz VOKHZLMUIOKORC-UHFFFAOYSA-N 1 2 362.890 3.217 20 30 FGEDLO CCN(C(=O)[C@@H](C)CC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000597284776 506878874 /nfs/dbraw/zinc/87/88/74/506878874.db2.gz HEVNHWODLLPCPF-HNNXBMFYSA-N 1 2 357.502 3.276 20 30 FGEDLO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000594008505 506880415 /nfs/dbraw/zinc/88/04/15/506880415.db2.gz RVSUCTUFDDUZMJ-HNNXBMFYSA-N 1 2 354.841 3.343 20 30 FGEDLO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000594008505 506880419 /nfs/dbraw/zinc/88/04/19/506880419.db2.gz RVSUCTUFDDUZMJ-HNNXBMFYSA-N 1 2 354.841 3.343 20 30 FGEDLO N#Cc1ccccc1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564429 506923241 /nfs/dbraw/zinc/92/32/41/506923241.db2.gz SOTKYUFJPYFVRI-HXUWFJFHSA-N 1 2 355.869 3.063 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098110 506936909 /nfs/dbraw/zinc/93/69/09/506936909.db2.gz DNIGBGBAFULANE-MCIONIFRSA-N 1 2 371.506 3.309 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098110 506936914 /nfs/dbraw/zinc/93/69/14/506936914.db2.gz DNIGBGBAFULANE-MCIONIFRSA-N 1 2 371.506 3.309 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000609663941 506966477 /nfs/dbraw/zinc/96/64/77/506966477.db2.gz AIDWJRDQWHMAHH-GOSISDBHSA-N 1 2 357.404 3.188 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000590819702 506980042 /nfs/dbraw/zinc/98/00/42/506980042.db2.gz RIYQHSSTGBQTQJ-OAHLLOKOSA-N 1 2 357.845 3.238 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000590828005 506985295 /nfs/dbraw/zinc/98/52/95/506985295.db2.gz JRQGAEVNJFXUFL-GOSISDBHSA-N 1 2 357.845 3.361 20 30 FGEDLO N#C[C@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCc2ccccc2C1 ZINC000597521893 506990056 /nfs/dbraw/zinc/99/00/56/506990056.db2.gz DESCKELCQSZAQE-OFNKIYASSA-N 1 2 370.456 3.499 20 30 FGEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000609841325 507020491 /nfs/dbraw/zinc/02/04/91/507020491.db2.gz PIAQBULBGDBACH-AWEZNQCLSA-N 1 2 357.454 3.358 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000597641271 507042890 /nfs/dbraw/zinc/04/28/90/507042890.db2.gz PUJYABAWUXCLCD-UHFFFAOYSA-N 1 2 374.897 3.446 20 30 FGEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000610002264 507067327 /nfs/dbraw/zinc/06/73/27/507067327.db2.gz VDPXJVNGDCOGHG-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000610002264 507067334 /nfs/dbraw/zinc/06/73/34/507067334.db2.gz VDPXJVNGDCOGHG-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(F)ccc(F)c43)CC2)on1 ZINC000610245358 507158178 /nfs/dbraw/zinc/15/81/78/507158178.db2.gz JPMMQCBATFUXKQ-UHFFFAOYSA-N 1 2 369.375 3.003 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000610369210 507217813 /nfs/dbraw/zinc/21/78/13/507217813.db2.gz VPNDVRZHOOLHLQ-UHFFFAOYSA-N 1 2 362.437 3.023 20 30 FGEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000610391682 507223857 /nfs/dbraw/zinc/22/38/57/507223857.db2.gz GQVVXQCDRGAAEA-QGZVFWFLSA-N 1 2 351.450 3.017 20 30 FGEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000610391682 507223860 /nfs/dbraw/zinc/22/38/60/507223860.db2.gz GQVVXQCDRGAAEA-QGZVFWFLSA-N 1 2 351.450 3.017 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000594766419 507273991 /nfs/dbraw/zinc/27/39/91/507273991.db2.gz ABGJBMJGNGFXNF-UHFFFAOYSA-N 1 2 374.491 3.037 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610581648 507303611 /nfs/dbraw/zinc/30/36/11/507303611.db2.gz IFALLRRFBIWJOT-PMACEKPBSA-N 1 2 350.418 3.236 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610581648 507303617 /nfs/dbraw/zinc/30/36/17/507303617.db2.gz IFALLRRFBIWJOT-PMACEKPBSA-N 1 2 350.418 3.236 20 30 FGEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000610740047 507373523 /nfs/dbraw/zinc/37/35/23/507373523.db2.gz ONHUVZGZFYUJQN-XFQXTVEOSA-N 1 2 372.490 3.016 20 30 FGEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000610740047 507373530 /nfs/dbraw/zinc/37/35/30/507373530.db2.gz ONHUVZGZFYUJQN-XFQXTVEOSA-N 1 2 372.490 3.016 20 30 FGEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000614160180 507389856 /nfs/dbraw/zinc/38/98/56/507389856.db2.gz JFPJIQRZNLXTNX-UHFFFAOYSA-N 1 2 354.498 3.211 20 30 FGEDLO COc1ccc2ncc(C#N)c(N3CCN(c4c[nH+]ccc4C)CC3)c2c1 ZINC000591940413 507420658 /nfs/dbraw/zinc/42/06/58/507420658.db2.gz RXHURHQSBQQXJT-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000592074338 507476970 /nfs/dbraw/zinc/47/69/70/507476970.db2.gz ZDWHKLWCNKSSAX-UHFFFAOYSA-N 1 2 370.840 3.163 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(O)cc(C#N)c2)C[C@@H](C)O1 ZINC000614364052 507479970 /nfs/dbraw/zinc/47/99/70/507479970.db2.gz QZNCXMUOWBQGNQ-HUUCEWRRSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152023 507509386 /nfs/dbraw/zinc/50/93/86/507509386.db2.gz SRWCCNYUGIIPPU-MGPLVRAMSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152023 507509392 /nfs/dbraw/zinc/50/93/92/507509392.db2.gz SRWCCNYUGIIPPU-MGPLVRAMSA-N 1 2 367.236 3.455 20 30 FGEDLO CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150649 507511065 /nfs/dbraw/zinc/51/10/65/507511065.db2.gz FVFPOVNTQNQMSC-INIZCTEOSA-N 1 2 353.260 3.088 20 30 FGEDLO CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150649 507511070 /nfs/dbraw/zinc/51/10/70/507511070.db2.gz FVFPOVNTQNQMSC-INIZCTEOSA-N 1 2 353.260 3.088 20 30 FGEDLO CC(C)OCC[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094908 507515057 /nfs/dbraw/zinc/51/50/57/507515057.db2.gz FTUMSXWNBXXDMR-UHFFFAOYSA-N 1 2 370.280 3.048 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C ZINC000611259842 507587796 /nfs/dbraw/zinc/58/77/96/507587796.db2.gz FNUCYKUDVFHWEJ-UHFFFAOYSA-N 1 2 352.438 3.063 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595621925 507597830 /nfs/dbraw/zinc/59/78/30/507597830.db2.gz ZTURVHVPEMTRSL-ROUUACIJSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621925 507597836 /nfs/dbraw/zinc/59/78/36/507597836.db2.gz ZTURVHVPEMTRSL-ROUUACIJSA-N 1 2 365.481 3.442 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)c1C#N ZINC000611376725 507647492 /nfs/dbraw/zinc/64/74/92/507647492.db2.gz QWJBYMFQZPGSPB-CYBMUJFWSA-N 1 2 354.406 3.213 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3noc(-c4ccccc4)n3)CCOCC2)c1 ZINC000595775748 507679472 /nfs/dbraw/zinc/67/94/72/507679472.db2.gz XJJVKXKALSJWRK-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968466 507709698 /nfs/dbraw/zinc/70/96/98/507709698.db2.gz UBXNQECGBPRHDV-ROUUACIJSA-N 1 2 367.453 3.064 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968466 507709703 /nfs/dbraw/zinc/70/97/03/507709703.db2.gz UBXNQECGBPRHDV-ROUUACIJSA-N 1 2 367.453 3.064 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000611518786 507717812 /nfs/dbraw/zinc/71/78/12/507717812.db2.gz RHHFWLKDFSJSLW-WBMJQRKESA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000611518786 507717817 /nfs/dbraw/zinc/71/78/17/507717817.db2.gz RHHFWLKDFSJSLW-WBMJQRKESA-N 1 2 364.371 3.110 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)CCC1 ZINC000615227767 507780571 /nfs/dbraw/zinc/78/05/71/507780571.db2.gz MUEJBFJNEFKJKR-HNNXBMFYSA-N 1 2 362.271 3.148 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CCC1 ZINC000615227767 507780573 /nfs/dbraw/zinc/78/05/73/507780573.db2.gz MUEJBFJNEFKJKR-HNNXBMFYSA-N 1 2 362.271 3.148 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCc1ccoc1 ZINC000328631374 523084076 /nfs/dbraw/zinc/08/40/76/523084076.db2.gz KLWRAHZFQICETQ-GJZGRUSLSA-N 1 2 351.447 3.300 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCc1ccoc1 ZINC000328631374 523084088 /nfs/dbraw/zinc/08/40/88/523084088.db2.gz KLWRAHZFQICETQ-GJZGRUSLSA-N 1 2 351.447 3.300 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801880 606452433 /nfs/dbraw/zinc/45/24/33/606452433.db2.gz PYSPUIYSXIYHGT-MJGOQNOKSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801880 606452434 /nfs/dbraw/zinc/45/24/34/606452434.db2.gz PYSPUIYSXIYHGT-MJGOQNOKSA-N 1 2 362.412 3.278 20 30 FGEDLO C=C(Br)C[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000127295763 700759662 /nfs/dbraw/zinc/75/96/62/700759662.db2.gz RCRQQQDDMADDIO-UHFFFAOYSA-N 1 2 355.276 3.489 20 30 FGEDLO C#CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000128989265 700782072 /nfs/dbraw/zinc/78/20/72/700782072.db2.gz QSBLZJLGURQFOG-INIZCTEOSA-N 1 2 354.475 3.279 20 30 FGEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)s1 ZINC000171093830 705374106 /nfs/dbraw/zinc/37/41/06/705374106.db2.gz YDKXNGMRDOUORI-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)cc(Br)c2O)CC1 ZINC000174923646 705525032 /nfs/dbraw/zinc/52/50/32/705525032.db2.gz KQSSPPMAJRLCPU-UHFFFAOYSA-N 1 2 371.662 3.092 20 30 FGEDLO CCOC(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177086095 705605213 /nfs/dbraw/zinc/60/52/13/705605213.db2.gz VLKUFAQPEAKWFU-UHFFFAOYSA-N 1 2 354.372 3.221 20 30 FGEDLO CCOC(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177086095 705605217 /nfs/dbraw/zinc/60/52/17/705605217.db2.gz VLKUFAQPEAKWFU-UHFFFAOYSA-N 1 2 354.372 3.221 20 30 FGEDLO CC[C@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000182973830 705871245 /nfs/dbraw/zinc/87/12/45/705871245.db2.gz YLBMPAMWNIIUEP-INIZCTEOSA-N 1 2 357.479 3.115 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000184798186 712676583 /nfs/dbraw/zinc/67/65/83/712676583.db2.gz CTPWGPWIYMGFOX-AWEZNQCLSA-N 1 2 355.404 3.436 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1 ZINC000184798186 712676584 /nfs/dbraw/zinc/67/65/84/712676584.db2.gz CTPWGPWIYMGFOX-AWEZNQCLSA-N 1 2 355.404 3.436 20 30 FGEDLO C=C(Br)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000195109509 713545665 /nfs/dbraw/zinc/54/56/65/713545665.db2.gz OZTPRNPIPMFUNY-UHFFFAOYSA-N 1 2 374.282 3.251 20 30 FGEDLO C=C(Br)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000195109509 713545667 /nfs/dbraw/zinc/54/56/67/713545667.db2.gz OZTPRNPIPMFUNY-UHFFFAOYSA-N 1 2 374.282 3.251 20 30 FGEDLO Cc1cc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000195478236 713557483 /nfs/dbraw/zinc/55/74/83/713557483.db2.gz FYIWLPONXGEXKC-UHFFFAOYSA-N 1 2 359.495 3.034 20 30 FGEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000255427308 713695698 /nfs/dbraw/zinc/69/56/98/713695698.db2.gz MFVBXJHHJBJPJT-UYRXBGFRSA-N 1 2 363.483 3.471 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)sc2C1 ZINC000329592036 713830911 /nfs/dbraw/zinc/83/09/11/713830911.db2.gz BUPJSZNXMJQDQC-ORAYPTAESA-N 1 2 355.463 3.459 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)sc2C1 ZINC000329592036 713830915 /nfs/dbraw/zinc/83/09/15/713830915.db2.gz BUPJSZNXMJQDQC-ORAYPTAESA-N 1 2 355.463 3.459 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754731 717112857 /nfs/dbraw/zinc/11/28/57/717112857.db2.gz JHPDBCVHVZNAMS-DZGCQCFKSA-N 1 2 358.454 3.007 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754731 717112859 /nfs/dbraw/zinc/11/28/59/717112859.db2.gz JHPDBCVHVZNAMS-DZGCQCFKSA-N 1 2 358.454 3.007 20 30 FGEDLO C=CCOc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635914850 717209971 /nfs/dbraw/zinc/20/99/71/717209971.db2.gz PWYYSANGKQEQQI-OAHLLOKOSA-N 1 2 353.344 3.258 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nc2ccccc2c1=O ZINC000782110598 724629837 /nfs/dbraw/zinc/62/98/37/724629837.db2.gz OAJDITMGLUKZAL-UHFFFAOYSA-N 1 2 352.463 3.336 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782515072 724677367 /nfs/dbraw/zinc/67/73/67/724677367.db2.gz BPZDVVRUUZLNEA-UKRRQHHQSA-N 1 2 361.795 3.291 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782515072 724677368 /nfs/dbraw/zinc/67/73/68/724677368.db2.gz BPZDVVRUUZLNEA-UKRRQHHQSA-N 1 2 361.795 3.291 20 30 FGEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000782958932 724712635 /nfs/dbraw/zinc/71/26/35/724712635.db2.gz IOQISINZKSEPGX-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000782958932 724712640 /nfs/dbraw/zinc/71/26/40/724712640.db2.gz IOQISINZKSEPGX-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO COCC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000677133451 721861321 /nfs/dbraw/zinc/86/13/21/721861321.db2.gz WIJOWTLGWHIPDM-HXUWFJFHSA-N 1 2 357.475 3.363 20 30 FGEDLO COCC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000677133451 721861323 /nfs/dbraw/zinc/86/13/23/721861323.db2.gz WIJOWTLGWHIPDM-HXUWFJFHSA-N 1 2 357.475 3.363 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943283 722479718 /nfs/dbraw/zinc/47/97/18/722479718.db2.gz KQACXKIVHNCDDX-OAHLLOKOSA-N 1 2 355.910 3.484 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943283 722479719 /nfs/dbraw/zinc/47/97/19/722479719.db2.gz KQACXKIVHNCDDX-OAHLLOKOSA-N 1 2 355.910 3.484 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC000739871984 722534167 /nfs/dbraw/zinc/53/41/67/722534167.db2.gz OJPYHBIKXBHSOC-QGZVFWFLSA-N 1 2 358.511 3.117 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC000739871984 722534168 /nfs/dbraw/zinc/53/41/68/722534168.db2.gz OJPYHBIKXBHSOC-QGZVFWFLSA-N 1 2 358.511 3.117 20 30 FGEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745704608 722589732 /nfs/dbraw/zinc/58/97/32/722589732.db2.gz KSRVGSJPANQZER-RTBURBONSA-N 1 2 353.551 3.489 20 30 FGEDLO Brc1cccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000755625502 722955193 /nfs/dbraw/zinc/95/51/93/722955193.db2.gz SHEXBYQSNYSFNU-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1=O ZINC000758240727 722986847 /nfs/dbraw/zinc/98/68/47/722986847.db2.gz IADHNGWZYHRYJP-OAHLLOKOSA-N 1 2 357.841 3.122 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1=O ZINC000758240727 722986848 /nfs/dbraw/zinc/98/68/48/722986848.db2.gz IADHNGWZYHRYJP-OAHLLOKOSA-N 1 2 357.841 3.122 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794619261 723535460 /nfs/dbraw/zinc/53/54/60/723535460.db2.gz GBTRWTUAXLXRKU-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794619261 723535463 /nfs/dbraw/zinc/53/54/63/723535463.db2.gz GBTRWTUAXLXRKU-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO CN1C(=O)CCc2cc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)ccc21 ZINC000794704219 723541900 /nfs/dbraw/zinc/54/19/00/723541900.db2.gz YFCOZGZVVYBOES-FPLPWBNLSA-N 1 2 355.463 3.010 20 30 FGEDLO COC[C@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940171 723640797 /nfs/dbraw/zinc/64/07/97/723640797.db2.gz HGTZGNMBQGWNPQ-LSDHHAIUSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940171 723640799 /nfs/dbraw/zinc/64/07/99/723640799.db2.gz HGTZGNMBQGWNPQ-LSDHHAIUSA-N 1 2 357.479 3.221 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)s1 ZINC000771006235 723725525 /nfs/dbraw/zinc/72/55/25/723725525.db2.gz SAXAXFGNGOTWDQ-UHFFFAOYSA-N 1 2 351.501 3.292 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667185 723812168 /nfs/dbraw/zinc/81/21/68/723812168.db2.gz NVSJWDKCKQRQPV-KUHUBIRLSA-N 1 2 360.889 3.267 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667185 723812171 /nfs/dbraw/zinc/81/21/71/723812171.db2.gz NVSJWDKCKQRQPV-KUHUBIRLSA-N 1 2 360.889 3.267 20 30 FGEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544169 723941511 /nfs/dbraw/zinc/94/15/11/723941511.db2.gz FDOIOBDQGIGLHW-BBWFWOEESA-N 1 2 351.853 3.181 20 30 FGEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544169 723941513 /nfs/dbraw/zinc/94/15/13/723941513.db2.gz FDOIOBDQGIGLHW-BBWFWOEESA-N 1 2 351.853 3.181 20 30 FGEDLO C[C@H](C#N)OCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000801655084 724321930 /nfs/dbraw/zinc/32/19/30/724321930.db2.gz QXRIRGJGNPXACP-CHWSQXEVSA-N 1 2 363.462 3.050 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527777 725312551 /nfs/dbraw/zinc/31/25/51/725312551.db2.gz MUSNBQZVLIWSDK-KDOFPFPSSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527777 725312553 /nfs/dbraw/zinc/31/25/53/725312553.db2.gz MUSNBQZVLIWSDK-KDOFPFPSSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213060 726851309 /nfs/dbraw/zinc/85/13/09/726851309.db2.gz HMNBUEPMFUINKJ-LRDDRELGSA-N 1 2 357.351 3.489 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213060 726851314 /nfs/dbraw/zinc/85/13/14/726851314.db2.gz HMNBUEPMFUINKJ-LRDDRELGSA-N 1 2 357.351 3.489 20 30 FGEDLO CC(=[NH+]NCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814829057 727004168 /nfs/dbraw/zinc/00/41/68/727004168.db2.gz HWGOYRFAUTWZLK-UHFFFAOYSA-N 1 2 363.215 3.453 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822700958 729211417 /nfs/dbraw/zinc/21/14/17/729211417.db2.gz JNRUHZKRNITUNJ-GFCCVEGCSA-N 1 2 355.269 3.130 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000827822745 729435546 /nfs/dbraw/zinc/43/55/46/729435546.db2.gz DUSMECLMFNFQHP-UHFFFAOYSA-N 1 2 353.253 3.046 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000827822745 729435547 /nfs/dbraw/zinc/43/55/47/729435547.db2.gz DUSMECLMFNFQHP-UHFFFAOYSA-N 1 2 353.253 3.046 20 30 FGEDLO CCOc1ccc(NC(=S)NN=C2CCCc3[nH+]c(N)ccc32)cc1 ZINC000834919190 729846090 /nfs/dbraw/zinc/84/60/90/729846090.db2.gz DMLOYCKDOQPVNM-UHFFFAOYSA-N 1 2 355.467 3.090 20 30 FGEDLO COc1ccc(Br)cc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000836843488 729971953 /nfs/dbraw/zinc/97/19/53/729971953.db2.gz MXNIRJDSWSZWIM-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO Nc1ccc2c(n1)CCCC2=[NH+]Nc1cc(CO)ccc1Br ZINC000841655424 730262189 /nfs/dbraw/zinc/26/21/89/730262189.db2.gz VELMADSWJJGOFH-UHFFFAOYSA-N 1 2 361.243 3.071 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3OC)n(C)c2=S)C1 ZINC000842628349 730521675 /nfs/dbraw/zinc/52/16/75/730521675.db2.gz XJINNESHICPPBH-HNNXBMFYSA-N 1 2 356.495 3.319 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3OC)n(C)c2=S)C1 ZINC000842628349 730521678 /nfs/dbraw/zinc/52/16/78/730521678.db2.gz XJINNESHICPPBH-HNNXBMFYSA-N 1 2 356.495 3.319 20 30 FGEDLO C#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000846230132 730938008 /nfs/dbraw/zinc/93/80/08/730938008.db2.gz HSFHTGPYMRYAKQ-MRXNPFEDSA-N 1 2 372.266 3.015 20 30 FGEDLO C#CCOCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000851836566 731505804 /nfs/dbraw/zinc/50/58/04/731505804.db2.gz NWBSBANSWFVXNR-INIZCTEOSA-N 1 2 355.265 3.436 20 30 FGEDLO C#CCOCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000851836566 731505809 /nfs/dbraw/zinc/50/58/09/731505809.db2.gz NWBSBANSWFVXNR-INIZCTEOSA-N 1 2 355.265 3.436 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(=O)(=O)CC)s1 ZINC000853559163 731723013 /nfs/dbraw/zinc/72/30/13/731723013.db2.gz XDBKVYUNYWVWPQ-UHFFFAOYSA-N 1 2 364.492 3.341 20 30 FGEDLO NC(=[NH+]OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000853646246 731736819 /nfs/dbraw/zinc/73/68/19/731736819.db2.gz OXIXQSOOEMYOOV-CQSZACIVSA-N 1 2 357.841 3.139 20 30 FGEDLO NC(=[NH+]OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000853646245 731736887 /nfs/dbraw/zinc/73/68/87/731736887.db2.gz OXIXQSOOEMYOOV-AWEZNQCLSA-N 1 2 357.841 3.139 20 30 FGEDLO NC(=NOCc1ccsc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853659054 731738984 /nfs/dbraw/zinc/73/89/84/731738984.db2.gz YYGGEUUMILVAKQ-UHFFFAOYSA-N 1 2 365.886 3.071 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)nc1 ZINC000859333385 732312322 /nfs/dbraw/zinc/31/23/22/732312322.db2.gz MSYAHZQHQAGMRK-UHFFFAOYSA-N 1 2 359.813 3.056 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)nc1 ZINC000859333385 732312329 /nfs/dbraw/zinc/31/23/29/732312329.db2.gz MSYAHZQHQAGMRK-UHFFFAOYSA-N 1 2 359.813 3.056 20 30 FGEDLO CNC(=S)N(C)N=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863119868 732916580 /nfs/dbraw/zinc/91/65/80/732916580.db2.gz JNQVLDDBQVFCHC-AWEZNQCLSA-N 1 2 369.332 3.008 20 30 FGEDLO CNC(=S)N(C)N=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863119868 732916582 /nfs/dbraw/zinc/91/65/82/732916582.db2.gz JNQVLDDBQVFCHC-AWEZNQCLSA-N 1 2 369.332 3.008 20 30 FGEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccnc(C(F)(F)F)c2)cn1 ZINC000863179479 732920439 /nfs/dbraw/zinc/92/04/39/732920439.db2.gz XLRSLMMFKLHFLU-UHFFFAOYSA-N 1 2 353.348 3.024 20 30 FGEDLO N#CCc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000864690426 733089307 /nfs/dbraw/zinc/08/93/07/733089307.db2.gz SWMYBYAEUBWELA-UHFFFAOYSA-N 1 2 357.454 3.301 20 30 FGEDLO N#CCc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000864690426 733089312 /nfs/dbraw/zinc/08/93/12/733089312.db2.gz SWMYBYAEUBWELA-UHFFFAOYSA-N 1 2 357.454 3.301 20 30 FGEDLO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cccc(C#N)c1O ZINC000866216621 733325247 /nfs/dbraw/zinc/32/52/47/733325247.db2.gz IAUDOOYCGZJCJQ-WMLDXEAASA-N 1 2 357.479 3.049 20 30 FGEDLO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000876893075 736159206 /nfs/dbraw/zinc/15/92/06/736159206.db2.gz HWOJIMVSHIACLX-HUUCEWRRSA-N 1 2 365.909 3.028 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554518 737187075 /nfs/dbraw/zinc/18/70/75/737187075.db2.gz DHWDFNWGGXYHMN-INIZCTEOSA-N 1 2 352.463 3.043 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554518 737187086 /nfs/dbraw/zinc/18/70/86/737187086.db2.gz DHWDFNWGGXYHMN-INIZCTEOSA-N 1 2 352.463 3.043 20 30 FGEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)cc1F ZINC000880716077 737209459 /nfs/dbraw/zinc/20/94/59/737209459.db2.gz FICNTEFVVRVXGA-UHFFFAOYSA-N 1 2 362.405 3.248 20 30 FGEDLO CC#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000883157069 737530505 /nfs/dbraw/zinc/53/05/05/737530505.db2.gz LMKJCETZGVEGLI-MRXNPFEDSA-N 1 2 357.479 3.000 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000884117255 737634861 /nfs/dbraw/zinc/63/48/61/737634861.db2.gz VBGGBBUAHQIEFK-AWEZNQCLSA-N 1 2 350.484 3.271 20 30 FGEDLO CC(C)OC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000886724216 739290423 /nfs/dbraw/zinc/29/04/23/739290423.db2.gz ZTBJUEWJMDSJDA-UHFFFAOYSA-N 1 2 352.381 3.323 20 30 FGEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000886771133 739295808 /nfs/dbraw/zinc/29/58/08/739295808.db2.gz CPHKMCONNLIYGQ-LBPRGKRZSA-N 1 2 363.458 3.165 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000890452964 739801377 /nfs/dbraw/zinc/80/13/77/739801377.db2.gz YCHPPAHSUMXACR-MRXNPFEDSA-N 1 2 355.467 3.023 20 30 FGEDLO N#Cc1cc(C[N@H+](CCO)Cc2cc(Br)cs2)cs1 ZINC000894024128 742228489 /nfs/dbraw/zinc/22/84/89/742228489.db2.gz WDDOFMGSWYNCCJ-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cc(Br)cs2)cs1 ZINC000894024128 742228490 /nfs/dbraw/zinc/22/84/90/742228490.db2.gz WDDOFMGSWYNCCJ-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000895483285 742418201 /nfs/dbraw/zinc/41/82/01/742418201.db2.gz NLOKIOCJZXKQHI-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000896650464 742576704 /nfs/dbraw/zinc/57/67/04/742576704.db2.gz IDDMTGKSUJHGJI-HNNXBMFYSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000896650464 742576708 /nfs/dbraw/zinc/57/67/08/742576708.db2.gz IDDMTGKSUJHGJI-HNNXBMFYSA-N 1 2 372.270 3.187 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000950593904 762442879 /nfs/dbraw/zinc/44/28/79/762442879.db2.gz PAHBZCZRRNYKLO-QVOQXLMASA-N 1 2 360.885 3.089 20 30 FGEDLO COc1ccccc1NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915942559 758008180 /nfs/dbraw/zinc/00/81/80/758008180.db2.gz FGYYPVFNQUEDRO-UHFFFAOYSA-N 1 2 355.467 3.033 20 30 FGEDLO N#Cc1ccccc1NC(=S)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000916023888 758026127 /nfs/dbraw/zinc/02/61/27/758026127.db2.gz XBKMJCHYCWBXAH-UHFFFAOYSA-N 1 2 351.479 3.430 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932110760 761055032 /nfs/dbraw/zinc/05/50/32/761055032.db2.gz JTCPAEDLDNTKKJ-HUUCEWRRSA-N 1 2 362.495 3.034 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932110760 761055040 /nfs/dbraw/zinc/05/50/40/761055040.db2.gz JTCPAEDLDNTKKJ-HUUCEWRRSA-N 1 2 362.495 3.034 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711855 761461370 /nfs/dbraw/zinc/46/13/70/761461370.db2.gz FPDLRABGTDBQOI-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711855 761461375 /nfs/dbraw/zinc/46/13/75/761461375.db2.gz FPDLRABGTDBQOI-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452004 766054851 /nfs/dbraw/zinc/05/48/51/766054851.db2.gz FQGQFGKXYMGEBJ-YYIAUSFCSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452004 766054856 /nfs/dbraw/zinc/05/48/56/766054856.db2.gz FQGQFGKXYMGEBJ-YYIAUSFCSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894839 766106056 /nfs/dbraw/zinc/10/60/56/766106056.db2.gz PWBREZJCEKWZOM-FXUDXRNXSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894839 766106060 /nfs/dbraw/zinc/10/60/60/766106060.db2.gz PWBREZJCEKWZOM-FXUDXRNXSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)cc1Cl ZINC001032638456 766200176 /nfs/dbraw/zinc/20/01/76/766200176.db2.gz ZXAJPGGKJHRPDH-BMFAXAFESA-N 1 2 360.885 3.025 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)cc1Cl ZINC001032638456 766200179 /nfs/dbraw/zinc/20/01/79/766200179.db2.gz ZXAJPGGKJHRPDH-BMFAXAFESA-N 1 2 360.885 3.025 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001033431964 766215180 /nfs/dbraw/zinc/21/51/80/766215180.db2.gz IZEMYFPQHWJFAU-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001033431964 766215182 /nfs/dbraw/zinc/21/51/82/766215182.db2.gz IZEMYFPQHWJFAU-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033984140 766230886 /nfs/dbraw/zinc/23/08/86/766230886.db2.gz KAKNOUISSOTMMR-YTQUADARSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033984140 766230888 /nfs/dbraw/zinc/23/08/88/766230888.db2.gz KAKNOUISSOTMMR-YTQUADARSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038798154 766288299 /nfs/dbraw/zinc/28/82/99/766288299.db2.gz AXOMYMCUEXKVOW-QYZOEREBSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038798154 766288305 /nfs/dbraw/zinc/28/83/05/766288305.db2.gz AXOMYMCUEXKVOW-QYZOEREBSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707047 766804422 /nfs/dbraw/zinc/80/44/22/766804422.db2.gz BVFMJUJJONXVFK-FPCVCCKLSA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707047 766804433 /nfs/dbraw/zinc/80/44/33/766804433.db2.gz BVFMJUJJONXVFK-FPCVCCKLSA-N 1 2 355.320 3.397 20 30 FGEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000051905077 205183673 /nfs/dbraw/zinc/18/36/73/205183673.db2.gz DHBJJKYBWYELTP-OAQYLSRUSA-N 1 2 365.452 3.215 20 30 FGEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000051905077 205183679 /nfs/dbraw/zinc/18/36/79/205183679.db2.gz DHBJJKYBWYELTP-OAQYLSRUSA-N 1 2 365.452 3.215 20 30 FGEDLO C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000570970058 505622932 /nfs/dbraw/zinc/62/29/32/505622932.db2.gz HGJRKTBZLBLIIO-FZMZJTMJSA-N 1 2 352.316 3.114 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000577052940 505652846 /nfs/dbraw/zinc/65/28/46/505652846.db2.gz XIYIYBMBLDJEER-OAHLLOKOSA-N 1 2 371.359 3.136 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000577052940 505652850 /nfs/dbraw/zinc/65/28/50/505652850.db2.gz XIYIYBMBLDJEER-OAHLLOKOSA-N 1 2 371.359 3.136 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833646 507706863 /nfs/dbraw/zinc/70/68/63/507706863.db2.gz IDQABPUALKATTR-SUMWQHHRSA-N 1 2 364.287 3.032 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833646 507706871 /nfs/dbraw/zinc/70/68/71/507706871.db2.gz IDQABPUALKATTR-SUMWQHHRSA-N 1 2 364.287 3.032 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCN(C)c3ccccc3C2)c(C#N)c1C ZINC000075940480 493798015 /nfs/dbraw/zinc/79/80/15/493798015.db2.gz NUMYMMMVIZQOCX-CQSZACIVSA-N 1 2 352.438 3.047 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCN(C)c3ccccc3C2)c(C#N)c1C ZINC000075940480 493798018 /nfs/dbraw/zinc/79/80/18/493798018.db2.gz NUMYMMMVIZQOCX-CQSZACIVSA-N 1 2 352.438 3.047 20 30 FGEDLO CC[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000057861014 493809234 /nfs/dbraw/zinc/80/92/34/493809234.db2.gz RKBCMUQMZCIOGX-HXUWFJFHSA-N 1 2 369.490 3.016 20 30 FGEDLO CCOC(=O)Nc1ccc2c(C[N@H+](CCC#N)CC3CC3)cc(=O)oc2c1 ZINC000081043563 493819737 /nfs/dbraw/zinc/81/97/37/493819737.db2.gz KUTRZXOPAIZXEZ-UHFFFAOYSA-N 1 2 369.421 3.487 20 30 FGEDLO CCOC(=O)Nc1ccc2c(C[N@@H+](CCC#N)CC3CC3)cc(=O)oc2c1 ZINC000081043563 493819740 /nfs/dbraw/zinc/81/97/40/493819740.db2.gz KUTRZXOPAIZXEZ-UHFFFAOYSA-N 1 2 369.421 3.487 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000029857041 493862402 /nfs/dbraw/zinc/86/24/02/493862402.db2.gz BAWRSKSKACYMOE-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO CCSc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000068718347 493862676 /nfs/dbraw/zinc/86/26/76/493862676.db2.gz QKETYBKWFXNFKJ-UHFFFAOYSA-N 1 2 366.490 3.023 20 30 FGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513135 493907883 /nfs/dbraw/zinc/90/78/83/493907883.db2.gz GQNLUILKWNONKQ-LJQANCHMSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513135 493907887 /nfs/dbraw/zinc/90/78/87/493907887.db2.gz GQNLUILKWNONKQ-LJQANCHMSA-N 1 2 370.474 3.178 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069607015 493985812 /nfs/dbraw/zinc/98/58/12/493985812.db2.gz GRYUQMHVHQFIPS-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000051994598 493997499 /nfs/dbraw/zinc/99/74/99/493997499.db2.gz IHSBDNIIASZTBI-PMACEKPBSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000051994598 493997504 /nfs/dbraw/zinc/99/75/04/493997504.db2.gz IHSBDNIIASZTBI-PMACEKPBSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218871 494013278 /nfs/dbraw/zinc/01/32/78/494013278.db2.gz OYFIOQXWTWWHQT-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000052638203 494049553 /nfs/dbraw/zinc/04/95/53/494049553.db2.gz SVHFFFODXQRCJW-QAPCUYQASA-N 1 2 358.486 3.141 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381201 494049672 /nfs/dbraw/zinc/04/96/72/494049672.db2.gz DDTVKOCYUZMLSM-UHFFFAOYSA-N 1 2 371.412 3.381 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381201 494049680 /nfs/dbraw/zinc/04/96/80/494049680.db2.gz DDTVKOCYUZMLSM-UHFFFAOYSA-N 1 2 371.412 3.381 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000077382013 494072524 /nfs/dbraw/zinc/07/25/24/494072524.db2.gz MNPWNQKITMPTNL-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO CC(C)Cc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000063636514 494072862 /nfs/dbraw/zinc/07/28/62/494072862.db2.gz LGUQFXAKYPAXHJ-UHFFFAOYSA-N 1 2 368.506 3.171 20 30 FGEDLO COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000010960144 494166075 /nfs/dbraw/zinc/16/60/75/494166075.db2.gz QLQLLXGFUHOODQ-NRFANRHFSA-N 1 2 374.444 3.139 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072666297 494230370 /nfs/dbraw/zinc/23/03/70/494230370.db2.gz KPEIBNJTJFYHBY-GOSISDBHSA-N 1 2 369.444 3.115 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072666297 494230374 /nfs/dbraw/zinc/23/03/74/494230374.db2.gz KPEIBNJTJFYHBY-GOSISDBHSA-N 1 2 369.444 3.115 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042884822 494250308 /nfs/dbraw/zinc/25/03/08/494250308.db2.gz WNJUEVLDSMJVMD-UHFFFAOYSA-N 1 2 360.417 3.143 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2nc(Cc3ccccc3)no2)cs1 ZINC000072920087 494284088 /nfs/dbraw/zinc/28/40/88/494284088.db2.gz QOBKCBZXDJZQES-LLVKDONJSA-N 1 2 357.439 3.018 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000014053788 494301110 /nfs/dbraw/zinc/30/11/10/494301110.db2.gz HFDWJKWLAWGESN-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000078616052 494330915 /nfs/dbraw/zinc/33/09/15/494330915.db2.gz JTAXPTAYSNCTAU-GHTZIAJQSA-N 1 2 362.477 3.205 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000046046969 494490328 /nfs/dbraw/zinc/49/03/28/494490328.db2.gz CZQCRRGCVXWMFY-QPJJXVBHSA-N 1 2 360.461 3.099 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C#N)cc1 ZINC000046526922 494534848 /nfs/dbraw/zinc/53/48/48/494534848.db2.gz CMENKANUPQAPEW-UHFFFAOYSA-N 1 2 350.447 3.244 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C#N)cc1 ZINC000046526922 494534853 /nfs/dbraw/zinc/53/48/53/494534853.db2.gz CMENKANUPQAPEW-UHFFFAOYSA-N 1 2 350.447 3.244 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1ccccc1 ZINC000568578518 505726631 /nfs/dbraw/zinc/72/66/31/505726631.db2.gz SYAHNZSRHVOVGW-UHFFFAOYSA-N 1 2 361.445 3.186 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1ccccc1 ZINC000568578518 505726636 /nfs/dbraw/zinc/72/66/36/505726636.db2.gz SYAHNZSRHVOVGW-UHFFFAOYSA-N 1 2 361.445 3.186 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361733 494605602 /nfs/dbraw/zinc/60/56/02/494605602.db2.gz SMYHBVFDHSNZSP-LBPRGKRZSA-N 1 2 365.829 3.117 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361733 494605607 /nfs/dbraw/zinc/60/56/07/494605607.db2.gz SMYHBVFDHSNZSP-LBPRGKRZSA-N 1 2 365.829 3.117 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000115802827 494626016 /nfs/dbraw/zinc/62/60/16/494626016.db2.gz UJEVQAYPIJPACT-INIZCTEOSA-N 1 2 350.422 3.207 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(OC)cc1 ZINC000108238875 494666996 /nfs/dbraw/zinc/66/69/96/494666996.db2.gz CZQUUSBFNVWOGV-UHFFFAOYSA-N 1 2 356.441 3.447 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1ccc(OC)cc1 ZINC000108238875 494667002 /nfs/dbraw/zinc/66/70/02/494667002.db2.gz CZQUUSBFNVWOGV-UHFFFAOYSA-N 1 2 356.441 3.447 20 30 FGEDLO Cc1cc(N2CCN(c3snc(Cl)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000047405286 494699244 /nfs/dbraw/zinc/69/92/44/494699244.db2.gz SQJCANUAWBIOEB-UHFFFAOYSA-N 1 2 362.890 3.217 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000067974358 494716178 /nfs/dbraw/zinc/71/61/78/494716178.db2.gz GWPGRLABBNICFK-OAQYLSRUSA-N 1 2 363.461 3.157 20 30 FGEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121391797 494734989 /nfs/dbraw/zinc/73/49/89/494734989.db2.gz VBDABSSVINQPBI-UHFFFAOYSA-N 1 2 350.384 3.001 20 30 FGEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121391797 494734995 /nfs/dbraw/zinc/73/49/95/494734995.db2.gz VBDABSSVINQPBI-UHFFFAOYSA-N 1 2 350.384 3.001 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)C(F)(F)F ZINC000571462456 505739095 /nfs/dbraw/zinc/73/90/95/505739095.db2.gz PNSAZJVMSXQYPU-YPMHNXCESA-N 1 2 370.762 3.491 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000108638553 494753267 /nfs/dbraw/zinc/75/32/67/494753267.db2.gz JVYZEQQPDUHWNE-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CCO)sc2C1 ZINC000126645725 494809235 /nfs/dbraw/zinc/80/92/35/494809235.db2.gz QSTNVCNRFSYFLR-CYBMUJFWSA-N 1 2 363.527 3.023 20 30 FGEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CCO)sc2C1 ZINC000126645725 494809240 /nfs/dbraw/zinc/80/92/40/494809240.db2.gz QSTNVCNRFSYFLR-CYBMUJFWSA-N 1 2 363.527 3.023 20 30 FGEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CCCCC#N)cc1 ZINC000092254014 494822459 /nfs/dbraw/zinc/82/24/59/494822459.db2.gz YNIBLBHDHIUQAE-UHFFFAOYSA-N 1 2 359.451 3.120 20 30 FGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000126989013 494873633 /nfs/dbraw/zinc/87/36/33/494873633.db2.gz YBHFUDOXPXEPNV-LJQANCHMSA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000126989013 494873638 /nfs/dbraw/zinc/87/36/38/494873638.db2.gz YBHFUDOXPXEPNV-LJQANCHMSA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000126989013 494873643 /nfs/dbraw/zinc/87/36/43/494873643.db2.gz YBHFUDOXPXEPNV-LJQANCHMSA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000126989013 494873647 /nfs/dbraw/zinc/87/36/47/494873647.db2.gz YBHFUDOXPXEPNV-LJQANCHMSA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000127213787 494910942 /nfs/dbraw/zinc/91/09/42/494910942.db2.gz NKVYFCMFGJZNLA-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127623642 494971548 /nfs/dbraw/zinc/97/15/48/494971548.db2.gz BTGYIOIXBFVTJT-MJGOQNOKSA-N 1 2 371.387 3.042 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127623642 494971551 /nfs/dbraw/zinc/97/15/51/494971551.db2.gz BTGYIOIXBFVTJT-MJGOQNOKSA-N 1 2 371.387 3.042 20 30 FGEDLO Cc1cc(C)c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(C)[nH+]1 ZINC000097219791 495029107 /nfs/dbraw/zinc/02/91/07/495029107.db2.gz NXVZPDDEQYTRCA-UHFFFAOYSA-N 1 2 362.437 3.109 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574368170 505756709 /nfs/dbraw/zinc/75/67/09/505756709.db2.gz DGLQZUPOIYTVNM-IFMALSPDSA-N 1 2 362.429 3.242 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574368170 505756714 /nfs/dbraw/zinc/75/67/14/505756714.db2.gz DGLQZUPOIYTVNM-IFMALSPDSA-N 1 2 362.429 3.242 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1OC ZINC000128208611 495062099 /nfs/dbraw/zinc/06/20/99/495062099.db2.gz SPQHUUIXENWVNX-GOSISDBHSA-N 1 2 370.449 3.134 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1OC ZINC000128208611 495062102 /nfs/dbraw/zinc/06/21/02/495062102.db2.gz SPQHUUIXENWVNX-GOSISDBHSA-N 1 2 370.449 3.134 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000128239407 495065701 /nfs/dbraw/zinc/06/57/01/495065701.db2.gz MUYXWLPPTXMXPO-UHFFFAOYSA-N 1 2 367.449 3.054 20 30 FGEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000123424894 495130333 /nfs/dbraw/zinc/13/03/33/495130333.db2.gz BDLSUMDVOOLHEF-CYBMUJFWSA-N 1 2 367.409 3.004 20 30 FGEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)c1 ZINC000119275710 495132448 /nfs/dbraw/zinc/13/24/48/495132448.db2.gz SYZNBKMZBGQFFD-QGZVFWFLSA-N 1 2 371.462 3.030 20 30 FGEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)c1 ZINC000119275710 495132449 /nfs/dbraw/zinc/13/24/49/495132449.db2.gz SYZNBKMZBGQFFD-QGZVFWFLSA-N 1 2 371.462 3.030 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360079 495180125 /nfs/dbraw/zinc/18/01/25/495180125.db2.gz KANQGKUPURABJF-HXUWFJFHSA-N 1 2 362.408 3.187 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360079 495180128 /nfs/dbraw/zinc/18/01/28/495180128.db2.gz KANQGKUPURABJF-HXUWFJFHSA-N 1 2 362.408 3.187 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000123813496 495190405 /nfs/dbraw/zinc/19/04/05/495190405.db2.gz OQMAVLYKSXDIHZ-UHFFFAOYSA-N 1 2 359.458 3.362 20 30 FGEDLO N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1 ZINC000119939635 495274275 /nfs/dbraw/zinc/27/42/75/495274275.db2.gz WDGCAVCIWKCIIP-UHFFFAOYSA-N 1 2 372.384 3.000 20 30 FGEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712707 495300418 /nfs/dbraw/zinc/30/04/18/495300418.db2.gz KQRPKDKRDOTCJE-MRXNPFEDSA-N 1 2 374.448 3.138 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000124782091 495342452 /nfs/dbraw/zinc/34/24/52/495342452.db2.gz GJYQTEBAEYDLKQ-UHFFFAOYSA-N 1 2 359.433 3.232 20 30 FGEDLO CN(CCC#N)c1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000130221641 495358818 /nfs/dbraw/zinc/35/88/18/495358818.db2.gz OUTZUJMNOMMYIJ-UHFFFAOYSA-N 1 2 356.495 3.269 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125247106 495413563 /nfs/dbraw/zinc/41/35/63/495413563.db2.gz SNMHEGAKAFVMLL-UHFFFAOYSA-N 1 2 370.316 3.237 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000125247106 495413567 /nfs/dbraw/zinc/41/35/67/495413567.db2.gz SNMHEGAKAFVMLL-UHFFFAOYSA-N 1 2 370.316 3.237 20 30 FGEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000120987508 495498332 /nfs/dbraw/zinc/49/83/32/495498332.db2.gz KDRRCWWTWAUZBV-SFHVURJKSA-N 1 2 371.282 3.227 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ncccc1OCCCC#N ZINC000170693444 495569081 /nfs/dbraw/zinc/56/90/81/495569081.db2.gz IMVGITXZWDEMFW-UHFFFAOYSA-N 1 2 363.421 3.315 20 30 FGEDLO C=CCSCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000170856338 495629328 /nfs/dbraw/zinc/62/93/28/495629328.db2.gz SFGNGLJHFYEYBK-UHFFFAOYSA-N 1 2 371.506 3.192 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179665747 495682876 /nfs/dbraw/zinc/68/28/76/495682876.db2.gz XZYOHZMCWMTFMT-UHFFFAOYSA-N 1 2 362.227 3.293 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000179665747 495682880 /nfs/dbraw/zinc/68/28/80/495682880.db2.gz XZYOHZMCWMTFMT-UHFFFAOYSA-N 1 2 362.227 3.293 20 30 FGEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000185800681 495730458 /nfs/dbraw/zinc/73/04/58/495730458.db2.gz HXDVZEJYNBLZGQ-LJQANCHMSA-N 1 2 354.475 3.169 20 30 FGEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000185800681 495730466 /nfs/dbraw/zinc/73/04/66/495730466.db2.gz HXDVZEJYNBLZGQ-LJQANCHMSA-N 1 2 354.475 3.169 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000171211343 495771628 /nfs/dbraw/zinc/77/16/28/495771628.db2.gz IENHUSDWEMQTJD-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176981853 495869902 /nfs/dbraw/zinc/86/99/02/495869902.db2.gz SQDFWMIHLARRHL-UHFFFAOYSA-N 1 2 351.837 3.450 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176981853 495869910 /nfs/dbraw/zinc/86/99/10/495869910.db2.gz SQDFWMIHLARRHL-UHFFFAOYSA-N 1 2 351.837 3.450 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151553987 495876328 /nfs/dbraw/zinc/87/63/28/495876328.db2.gz KNWTYJFITGLKRM-CYBMUJFWSA-N 1 2 356.308 3.033 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151553987 495876333 /nfs/dbraw/zinc/87/63/33/495876333.db2.gz KNWTYJFITGLKRM-CYBMUJFWSA-N 1 2 356.308 3.033 20 30 FGEDLO Cc1ccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)o1 ZINC000180246435 495923158 /nfs/dbraw/zinc/92/31/58/495923158.db2.gz JAKQBXOXMKHTLK-HXUWFJFHSA-N 1 2 362.433 3.434 20 30 FGEDLO Cc1ccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)o1 ZINC000180246435 495923162 /nfs/dbraw/zinc/92/31/62/495923162.db2.gz JAKQBXOXMKHTLK-HXUWFJFHSA-N 1 2 362.433 3.434 20 30 FGEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000180385812 495975156 /nfs/dbraw/zinc/97/51/56/495975156.db2.gz VSCMSGQYRUPZQB-GFCCVEGCSA-N 1 2 371.428 3.222 20 30 FGEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000180385828 495975622 /nfs/dbraw/zinc/97/56/22/495975622.db2.gz VSCMSGQYRUPZQB-LBPRGKRZSA-N 1 2 371.428 3.222 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000177275240 496004325 /nfs/dbraw/zinc/00/43/25/496004325.db2.gz DOVBSYVCRPYUQL-INIZCTEOSA-N 1 2 354.479 3.362 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000177275240 496004331 /nfs/dbraw/zinc/00/43/31/496004331.db2.gz DOVBSYVCRPYUQL-INIZCTEOSA-N 1 2 354.479 3.362 20 30 FGEDLO C=CCC(CC=C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186622457 496077497 /nfs/dbraw/zinc/07/74/97/496077497.db2.gz ASUWLOIMVCOTJM-UHFFFAOYSA-N 1 2 355.482 3.058 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)C(F)(F)F ZINC000568998325 505827490 /nfs/dbraw/zinc/82/74/90/505827490.db2.gz UFCLDPLPFNNEBJ-CJNGLKHVSA-N 1 2 356.392 3.435 20 30 FGEDLO N#C[C@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCN1Cc1ccccc1 ZINC000172284181 496240790 /nfs/dbraw/zinc/24/07/90/496240790.db2.gz CIQIUBGXJNOCHR-IBGZPJMESA-N 1 2 365.868 3.198 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031045 496295536 /nfs/dbraw/zinc/29/55/36/496295536.db2.gz SRGZBCUFWBKIDO-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178031045 496295543 /nfs/dbraw/zinc/29/55/43/496295543.db2.gz SRGZBCUFWBKIDO-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156658722 496304681 /nfs/dbraw/zinc/30/46/81/496304681.db2.gz JWTDZJCVBWUXBR-UHFFFAOYSA-N 1 2 364.464 3.344 20 30 FGEDLO O=C(CCc1ccccc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156658722 496304682 /nfs/dbraw/zinc/30/46/82/496304682.db2.gz JWTDZJCVBWUXBR-UHFFFAOYSA-N 1 2 364.464 3.344 20 30 FGEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc3[nH+]ccn3c2)c1C ZINC000172485291 496313476 /nfs/dbraw/zinc/31/34/76/496313476.db2.gz ZFWIQQMOCBSYMG-UHFFFAOYSA-N 1 2 356.389 3.261 20 30 FGEDLO C[C@@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156752958 496326808 /nfs/dbraw/zinc/32/68/08/496326808.db2.gz LBMGCOHFQKZDSK-OAQYLSRUSA-N 1 2 368.502 3.386 20 30 FGEDLO C[C@@]1(c2ccccc2)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156752958 496326810 /nfs/dbraw/zinc/32/68/10/496326810.db2.gz LBMGCOHFQKZDSK-OAQYLSRUSA-N 1 2 368.502 3.386 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000175350636 496351104 /nfs/dbraw/zinc/35/11/04/496351104.db2.gz MBSFAXPOILASIG-INIZCTEOSA-N 1 2 353.426 3.085 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000184520098 496421840 /nfs/dbraw/zinc/42/18/40/496421840.db2.gz CPMAZUBFBYTQTL-SMDDNHRTSA-N 1 2 359.451 3.006 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000157192058 496425867 /nfs/dbraw/zinc/42/58/67/496425867.db2.gz MTHDKLSZSPPFTN-YJBOKZPZSA-N 1 2 352.438 3.022 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)cc1OC ZINC000187562664 496491048 /nfs/dbraw/zinc/49/10/48/496491048.db2.gz FVHGSSWTSRDPFN-XMMPIXPASA-N 1 2 351.512 3.383 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)cc1OC ZINC000187562664 496491052 /nfs/dbraw/zinc/49/10/52/496491052.db2.gz FVHGSSWTSRDPFN-XMMPIXPASA-N 1 2 351.512 3.383 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188016526 496653209 /nfs/dbraw/zinc/65/32/09/496653209.db2.gz XTPIQDNWQOQUSV-UHFFFAOYSA-N 1 2 358.445 3.455 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCCc1cccc2cccnc21 ZINC000154032900 496661704 /nfs/dbraw/zinc/66/17/04/496661704.db2.gz ZIRXHKHEFSVZEF-UHFFFAOYSA-N 1 2 352.482 3.155 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCCc1cccc2cccnc21 ZINC000154032900 496661708 /nfs/dbraw/zinc/66/17/08/496661708.db2.gz ZIRXHKHEFSVZEF-UHFFFAOYSA-N 1 2 352.482 3.155 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000165856685 496670092 /nfs/dbraw/zinc/67/00/92/496670092.db2.gz JPNWSUARJPEOBO-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])cc4C#N)C3)[nH+]c2c1 ZINC000273199216 496738164 /nfs/dbraw/zinc/73/81/64/496738164.db2.gz DVQJOHKBFUZXDR-ZDUSSCGKSA-N 1 2 362.393 3.430 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCCCC#N)cc1 ZINC000273237681 496749356 /nfs/dbraw/zinc/74/93/56/496749356.db2.gz MQMGMXIWCDMDPK-UHFFFAOYSA-N 1 2 369.469 3.187 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000264252801 496852585 /nfs/dbraw/zinc/85/25/85/496852585.db2.gz KBUZOFJPJYUIQJ-INIZCTEOSA-N 1 2 357.845 3.108 20 30 FGEDLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000247539235 496883597 /nfs/dbraw/zinc/88/35/97/496883597.db2.gz JXDXRWXCHNEHAT-KGLIPLIRSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000247539235 496883600 /nfs/dbraw/zinc/88/36/00/496883600.db2.gz JXDXRWXCHNEHAT-KGLIPLIRSA-N 1 2 361.511 3.182 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000264666705 496958134 /nfs/dbraw/zinc/95/81/34/496958134.db2.gz UWIFKVVDZLJPKT-UHFFFAOYSA-N 1 2 362.433 3.114 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189158005 497027609 /nfs/dbraw/zinc/02/76/09/497027609.db2.gz CDRAZJGNBBAYGJ-OAQYLSRUSA-N 1 2 359.514 3.375 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)s1 ZINC000192215193 497036139 /nfs/dbraw/zinc/03/61/39/497036139.db2.gz IVIKJYSMUVDJGG-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000270249779 497086002 /nfs/dbraw/zinc/08/60/02/497086002.db2.gz IRTVVCBGLSSQOQ-NQIIRXRSSA-N 1 2 362.477 3.234 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248863262 497120063 /nfs/dbraw/zinc/12/00/63/497120063.db2.gz XVYNYSJXUFQTKO-ILXRZTDVSA-N 1 2 361.511 3.111 20 30 FGEDLO CC(C)(C)C1=CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000270412985 497123200 /nfs/dbraw/zinc/12/32/00/497123200.db2.gz YAOFPEBMVMBITH-MRXNPFEDSA-N 1 2 364.449 3.190 20 30 FGEDLO CC(C)(C)C1=CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000270412985 497123205 /nfs/dbraw/zinc/12/32/05/497123205.db2.gz YAOFPEBMVMBITH-MRXNPFEDSA-N 1 2 364.449 3.190 20 30 FGEDLO C[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000274676528 497143081 /nfs/dbraw/zinc/14/30/81/497143081.db2.gz IWCBEWSBNLMICR-MRXNPFEDSA-N 1 2 354.498 3.256 20 30 FGEDLO COCCn1nc(C)c(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1C ZINC000270778820 497200954 /nfs/dbraw/zinc/20/09/54/497200954.db2.gz IXJZNBAGYLRSIN-AATRIKPKSA-N 1 2 358.829 3.344 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000275003395 497215883 /nfs/dbraw/zinc/21/58/83/497215883.db2.gz CPKBHPSVQKNHIB-GOSISDBHSA-N 1 2 354.498 3.329 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1C ZINC000251778308 497284039 /nfs/dbraw/zinc/28/40/39/497284039.db2.gz LGFOCVGBDVFZCK-HLLBOEOZSA-N 1 2 361.511 3.234 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@@H]1C ZINC000251778308 497284045 /nfs/dbraw/zinc/28/40/45/497284045.db2.gz LGFOCVGBDVFZCK-HLLBOEOZSA-N 1 2 361.511 3.234 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000279068268 497322828 /nfs/dbraw/zinc/32/28/28/497322828.db2.gz ZWHAARDCSQKTHN-LLVKDONJSA-N 1 2 374.432 3.497 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245450815 497414032 /nfs/dbraw/zinc/41/40/32/497414032.db2.gz OYJYXYHXIMUVRB-YVWKXTFCSA-N 1 2 357.498 3.073 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245450815 497414036 /nfs/dbraw/zinc/41/40/36/497414036.db2.gz OYJYXYHXIMUVRB-YVWKXTFCSA-N 1 2 357.498 3.073 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245644213 497485667 /nfs/dbraw/zinc/48/56/67/497485667.db2.gz BTGYIOIXBFVTJT-PKOBYXMFSA-N 1 2 371.387 3.042 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245644213 497485671 /nfs/dbraw/zinc/48/56/71/497485671.db2.gz BTGYIOIXBFVTJT-PKOBYXMFSA-N 1 2 371.387 3.042 20 30 FGEDLO COc1ccc2[nH]c(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2c1 ZINC000276134722 497505172 /nfs/dbraw/zinc/50/51/72/497505172.db2.gz ZKVGMWTXEYWTCH-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190526362 497516159 /nfs/dbraw/zinc/51/61/59/497516159.db2.gz OXRODUKTOZGILE-GFCCVEGCSA-N 1 2 361.511 3.325 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000272470896 497637935 /nfs/dbraw/zinc/63/79/35/497637935.db2.gz WZBYLFYNBAOHRR-UHFFFAOYSA-N 1 2 355.486 3.297 20 30 FGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCC2)O1 ZINC000190984287 497672577 /nfs/dbraw/zinc/67/25/77/497672577.db2.gz IAFAXDSXIACQSL-HNNXBMFYSA-N 1 2 359.495 3.149 20 30 FGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCC2)O1 ZINC000190984287 497672582 /nfs/dbraw/zinc/67/25/82/497672582.db2.gz IAFAXDSXIACQSL-HNNXBMFYSA-N 1 2 359.495 3.149 20 30 FGEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671493 497697547 /nfs/dbraw/zinc/69/75/47/497697547.db2.gz QHRRBBQBXDRBPX-QZTJIDSGSA-N 1 2 357.454 3.167 20 30 FGEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671493 497697552 /nfs/dbraw/zinc/69/75/52/497697552.db2.gz QHRRBBQBXDRBPX-QZTJIDSGSA-N 1 2 357.454 3.167 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c[nH+]1 ZINC000191211974 497744687 /nfs/dbraw/zinc/74/46/87/497744687.db2.gz HOPBXMHXPVSPEH-VMPITWQZSA-N 1 2 356.422 3.078 20 30 FGEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246600585 497786247 /nfs/dbraw/zinc/78/62/47/497786247.db2.gz KDVVKWTWBFTUCK-CEWLAPEOSA-N 1 2 368.525 3.048 20 30 FGEDLO N#Cc1cnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000263764762 497814021 /nfs/dbraw/zinc/81/40/21/497814021.db2.gz IRHLXALWOMPWTN-UHFFFAOYSA-N 1 2 369.856 3.122 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCSCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329564201 497830188 /nfs/dbraw/zinc/83/01/88/497830188.db2.gz SDSRLJOBKASMTM-WBVHZDCISA-N 1 2 368.543 3.031 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCSCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329564201 497830198 /nfs/dbraw/zinc/83/01/98/497830198.db2.gz SDSRLJOBKASMTM-WBVHZDCISA-N 1 2 368.543 3.031 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@]23CCOC3)c2ccc(Cl)cc2)C1 ZINC000329608008 497842917 /nfs/dbraw/zinc/84/29/17/497842917.db2.gz MYSJGNKBPUSVJX-IMBTUZDBSA-N 1 2 364.873 3.095 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@]23CCOC3)c2ccc(Cl)cc2)C1 ZINC000329608008 497842922 /nfs/dbraw/zinc/84/29/22/497842922.db2.gz MYSJGNKBPUSVJX-IMBTUZDBSA-N 1 2 364.873 3.095 20 30 FGEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000329609497 497844605 /nfs/dbraw/zinc/84/46/05/497844605.db2.gz BUNBYEFNBPXSGV-INIZCTEOSA-N 1 2 367.474 3.398 20 30 FGEDLO CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000329609497 497844610 /nfs/dbraw/zinc/84/46/10/497844610.db2.gz BUNBYEFNBPXSGV-INIZCTEOSA-N 1 2 367.474 3.398 20 30 FGEDLO CC[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC(=O)N1 ZINC000329622003 497848496 /nfs/dbraw/zinc/84/84/96/497848496.db2.gz UNXMZHNKZSELCB-SJORKVTESA-N 1 2 358.486 3.167 20 30 FGEDLO O=C(C[N@@H+]1CCC2(C1)Oc1ccccc1O2)N[C@H]1CCOc2ccccc21 ZINC000329680909 497866880 /nfs/dbraw/zinc/86/68/80/497866880.db2.gz YAZMSSKQXUBBAO-INIZCTEOSA-N 1 2 366.417 3.340 20 30 FGEDLO O=C(C[N@H+]1CCC2(C1)Oc1ccccc1O2)N[C@H]1CCOc2ccccc21 ZINC000329680909 497866886 /nfs/dbraw/zinc/86/68/86/497866886.db2.gz YAZMSSKQXUBBAO-INIZCTEOSA-N 1 2 366.417 3.340 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCCC3(CCOCC3)C1)C2 ZINC000329686560 497869473 /nfs/dbraw/zinc/86/94/73/497869473.db2.gz YTTLULNFTMRXTQ-INIZCTEOSA-N 1 2 374.529 3.302 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329781388 497898478 /nfs/dbraw/zinc/89/84/78/497898478.db2.gz NEKXXRJTEWOYEI-QYZOEREBSA-N 1 2 372.444 3.321 20 30 FGEDLO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329781388 497898483 /nfs/dbraw/zinc/89/84/83/497898483.db2.gz NEKXXRJTEWOYEI-QYZOEREBSA-N 1 2 372.444 3.321 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292149375 497898528 /nfs/dbraw/zinc/89/85/28/497898528.db2.gz KCMGFAWJLDQKPD-RHSMWYFYSA-N 1 2 361.405 3.218 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292149375 497898530 /nfs/dbraw/zinc/89/85/30/497898530.db2.gz KCMGFAWJLDQKPD-RHSMWYFYSA-N 1 2 361.405 3.218 20 30 FGEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC[C@@H]1c1ccccc1 ZINC000329898919 497944419 /nfs/dbraw/zinc/94/44/19/497944419.db2.gz MPQFOYMADJVZLM-AOIWGVFYSA-N 1 2 352.482 3.485 20 30 FGEDLO C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301098661 497950479 /nfs/dbraw/zinc/95/04/79/497950479.db2.gz WRUOOMZSAFCUBB-GFCCVEGCSA-N 1 2 368.441 3.447 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccn2)c(Br)c1 ZINC000280923884 497952022 /nfs/dbraw/zinc/95/20/22/497952022.db2.gz GNNZGFDKWOODML-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(Br)c1 ZINC000280923884 497952027 /nfs/dbraw/zinc/95/20/27/497952027.db2.gz GNNZGFDKWOODML-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C2CC2)O1 ZINC000329929201 497957078 /nfs/dbraw/zinc/95/70/78/497957078.db2.gz YOPVNXMTCYHYIZ-XJKSGUPXSA-N 1 2 364.515 3.174 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000301135484 497967803 /nfs/dbraw/zinc/96/78/03/497967803.db2.gz ZQBVPKHHHMJBSW-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCc2ccccc21 ZINC000329992332 497982825 /nfs/dbraw/zinc/98/28/25/497982825.db2.gz XMFAQICNPBCESI-BQFCYCMXSA-N 1 2 356.445 3.019 20 30 FGEDLO CCOC1CC(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1 ZINC000285116395 497998478 /nfs/dbraw/zinc/99/84/78/497998478.db2.gz KDRSPPIKVUVTOD-UHFFFAOYSA-N 1 2 355.438 3.113 20 30 FGEDLO O=C(C[NH+]1CCN(Cc2ccn(C3CCCC3)n2)CC1)NC1CCCCC1 ZINC000330093975 498018444 /nfs/dbraw/zinc/01/84/44/498018444.db2.gz SEFBOSNEOWBMSR-UHFFFAOYSA-N 1 2 373.545 3.405 20 30 FGEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139235 498035630 /nfs/dbraw/zinc/03/56/30/498035630.db2.gz WBYCVODLDRYBSS-CLCXKQKWSA-N 1 2 366.889 3.455 20 30 FGEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139235 498035637 /nfs/dbraw/zinc/03/56/37/498035637.db2.gz WBYCVODLDRYBSS-CLCXKQKWSA-N 1 2 366.889 3.455 20 30 FGEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCOC[C@H](C2CCC2)C1 ZINC000330180346 498051387 /nfs/dbraw/zinc/05/13/87/498051387.db2.gz NHLIPFKOPFQGQC-HXUWFJFHSA-N 1 2 368.481 3.094 20 30 FGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000330192544 498057062 /nfs/dbraw/zinc/05/70/62/498057062.db2.gz NUYBCTYEGFHYQY-AWEZNQCLSA-N 1 2 359.470 3.109 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285341343 498057107 /nfs/dbraw/zinc/05/71/07/498057107.db2.gz ABKAHZGATNDBFX-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000330192544 498057069 /nfs/dbraw/zinc/05/70/69/498057069.db2.gz NUYBCTYEGFHYQY-AWEZNQCLSA-N 1 2 359.470 3.109 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000330215609 498065549 /nfs/dbraw/zinc/06/55/49/498065549.db2.gz HDHNGYYEIWEHHO-OAHLLOKOSA-N 1 2 374.510 3.159 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000330215609 498065555 /nfs/dbraw/zinc/06/55/55/498065555.db2.gz HDHNGYYEIWEHHO-OAHLLOKOSA-N 1 2 374.510 3.159 20 30 FGEDLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330280742 498092224 /nfs/dbraw/zinc/09/22/24/498092224.db2.gz SXPMDUITMMNYBN-WMLDXEAASA-N 1 2 358.442 3.193 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CCSc3ccccc32)CCO1 ZINC000330339742 498110648 /nfs/dbraw/zinc/11/06/48/498110648.db2.gz XBEMQYYHZIGYEC-UNEWFSDZSA-N 1 2 372.494 3.381 20 30 FGEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301533162 498150858 /nfs/dbraw/zinc/15/08/58/498150858.db2.gz QBNKIZLMIQOBNM-CQSZACIVSA-N 1 2 357.889 3.198 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301683368 498222347 /nfs/dbraw/zinc/22/23/47/498222347.db2.gz VYPUBUQSRJTEBL-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)n2)c1 ZINC000281653952 498227034 /nfs/dbraw/zinc/22/70/34/498227034.db2.gz KFLNUMSXEYWQMQ-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360036144 498236865 /nfs/dbraw/zinc/23/68/65/498236865.db2.gz LVQDGHAFQCBTHS-DOTOQJQBSA-N 1 2 354.454 3.363 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360036144 498236875 /nfs/dbraw/zinc/23/68/75/498236875.db2.gz LVQDGHAFQCBTHS-DOTOQJQBSA-N 1 2 354.454 3.363 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000575790477 506004976 /nfs/dbraw/zinc/00/49/76/506004976.db2.gz AWCMNJQIPSKLET-UHFFFAOYSA-N 1 2 362.393 3.143 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc(Br)cc1C#N ZINC000296943136 498260359 /nfs/dbraw/zinc/26/03/59/498260359.db2.gz BSKKOJLPLIYCRY-UHFFFAOYSA-N 1 2 374.164 3.111 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000293087990 498263159 /nfs/dbraw/zinc/26/31/59/498263159.db2.gz OIGRFHIKEKZQEO-MRXNPFEDSA-N 1 2 374.366 3.101 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000293087990 498263164 /nfs/dbraw/zinc/26/31/64/498263164.db2.gz OIGRFHIKEKZQEO-MRXNPFEDSA-N 1 2 374.366 3.101 20 30 FGEDLO CC(C)[C@@H](CNc1ccc(C#N)cc1Br)[NH+]1CCOCC1 ZINC000301841000 498289266 /nfs/dbraw/zinc/28/92/66/498289266.db2.gz PFNIDRPVNCHNFN-MRXNPFEDSA-N 1 2 352.276 3.089 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000282095737 498381600 /nfs/dbraw/zinc/38/16/00/498381600.db2.gz XNWMRIANBPUJRG-SFHVURJKSA-N 1 2 367.453 3.242 20 30 FGEDLO N#CCc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000578872104 506041526 /nfs/dbraw/zinc/04/15/26/506041526.db2.gz ZYHKWSFQSKLALT-FQEVSTJZSA-N 1 2 365.502 3.159 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000286727709 498489555 /nfs/dbraw/zinc/48/95/55/498489555.db2.gz DUHJARWJVLQCFP-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000286727709 498489563 /nfs/dbraw/zinc/48/95/63/498489563.db2.gz DUHJARWJVLQCFP-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000578928360 506052973 /nfs/dbraw/zinc/05/29/73/506052973.db2.gz IPGQKKYVGOGNBL-UHFFFAOYSA-N 1 2 357.473 3.379 20 30 FGEDLO Cc1nsc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C#N ZINC000294119545 498594907 /nfs/dbraw/zinc/59/49/07/498594907.db2.gz DPFAWLGRETWOKE-GFCCVEGCSA-N 1 2 361.496 3.295 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1OC ZINC000570009396 506067365 /nfs/dbraw/zinc/06/73/65/506067365.db2.gz HHMDOXIOWPUDNZ-CRAIPNDOSA-N 1 2 371.437 3.236 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1OC ZINC000570009396 506067368 /nfs/dbraw/zinc/06/73/68/506067368.db2.gz HHMDOXIOWPUDNZ-CRAIPNDOSA-N 1 2 371.437 3.236 20 30 FGEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)o1 ZINC000332332670 498652047 /nfs/dbraw/zinc/65/20/47/498652047.db2.gz SYINLAOLGLQBNF-UHFFFAOYSA-N 1 2 353.426 3.030 20 30 FGEDLO C#CCCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000294632133 498755377 /nfs/dbraw/zinc/75/53/77/498755377.db2.gz PZRHATZRMCMWEA-UHFFFAOYSA-N 1 2 365.355 3.120 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]2)CC1 ZINC000294649987 498762342 /nfs/dbraw/zinc/76/23/42/498762342.db2.gz YJWIOKKMMGHXTI-NRFANRHFSA-N 1 2 352.482 3.408 20 30 FGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000579093184 506093063 /nfs/dbraw/zinc/09/30/63/506093063.db2.gz PPGFJAOXOXXMTF-UHFFFAOYSA-N 1 2 353.445 3.107 20 30 FGEDLO CN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1C#N ZINC000366264550 498849298 /nfs/dbraw/zinc/84/92/98/498849298.db2.gz DBLHNIXKJGIHBL-OAHLLOKOSA-N 1 2 354.841 3.486 20 30 FGEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720967 498860461 /nfs/dbraw/zinc/86/04/61/498860461.db2.gz KCCPNRNBTZZLKU-MJGOQNOKSA-N 1 2 372.428 3.349 20 30 FGEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720967 498860467 /nfs/dbraw/zinc/86/04/67/498860467.db2.gz KCCPNRNBTZZLKU-MJGOQNOKSA-N 1 2 372.428 3.349 20 30 FGEDLO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000298742256 498866418 /nfs/dbraw/zinc/86/64/18/498866418.db2.gz RXIXSCWZRDUFFR-GOSISDBHSA-N 1 2 374.444 3.424 20 30 FGEDLO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000298742256 498866423 /nfs/dbraw/zinc/86/64/23/498866423.db2.gz RXIXSCWZRDUFFR-GOSISDBHSA-N 1 2 374.444 3.424 20 30 FGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000298760834 498870752 /nfs/dbraw/zinc/87/07/52/498870752.db2.gz XJBRJWNPNRFRMS-IEBWSBKVSA-N 1 2 372.428 3.131 20 30 FGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000298760834 498870758 /nfs/dbraw/zinc/87/07/58/498870758.db2.gz XJBRJWNPNRFRMS-IEBWSBKVSA-N 1 2 372.428 3.131 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000366370622 498895894 /nfs/dbraw/zinc/89/58/94/498895894.db2.gz AEUBXHMECDECSG-INIZCTEOSA-N 1 2 350.466 3.316 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374329 498898357 /nfs/dbraw/zinc/89/83/57/498898357.db2.gz HTHUQRFXKIQKDB-XJKSGUPXSA-N 1 2 358.467 3.161 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374329 498898367 /nfs/dbraw/zinc/89/83/67/498898367.db2.gz HTHUQRFXKIQKDB-XJKSGUPXSA-N 1 2 358.467 3.161 20 30 FGEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000328685043 498901678 /nfs/dbraw/zinc/90/16/78/498901678.db2.gz FKGLJDOUAFQZHE-NVXWUHKLSA-N 1 2 351.491 3.122 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000366443671 498930358 /nfs/dbraw/zinc/93/03/58/498930358.db2.gz RFIHQAKNSATYLI-INIZCTEOSA-N 1 2 363.446 3.125 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000366443671 498930360 /nfs/dbraw/zinc/93/03/60/498930360.db2.gz RFIHQAKNSATYLI-INIZCTEOSA-N 1 2 363.446 3.125 20 30 FGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1coc(C2CCCC2)n1 ZINC000328780057 498937114 /nfs/dbraw/zinc/93/71/14/498937114.db2.gz GYAUGLYUXYMRHK-UHFFFAOYSA-N 1 2 356.426 3.069 20 30 FGEDLO C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328798877 498941541 /nfs/dbraw/zinc/94/15/41/498941541.db2.gz XDPFXTGEJXIJDE-DAYGRLMNSA-N 1 2 360.502 3.362 20 30 FGEDLO C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328798877 498941546 /nfs/dbraw/zinc/94/15/46/498941546.db2.gz XDPFXTGEJXIJDE-DAYGRLMNSA-N 1 2 360.502 3.362 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC ZINC000366533970 498968711 /nfs/dbraw/zinc/96/87/11/498968711.db2.gz JOTRIPJCMBGPGX-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC ZINC000366533970 498968720 /nfs/dbraw/zinc/96/87/20/498968720.db2.gz JOTRIPJCMBGPGX-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO N#Cc1cnc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000333345884 498985861 /nfs/dbraw/zinc/98/58/61/498985861.db2.gz UQHNDUGRPCRRFL-UHFFFAOYSA-N 1 2 369.856 3.159 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000366671865 499028141 /nfs/dbraw/zinc/02/81/41/499028141.db2.gz JZIRAKIIHJACMG-RBUKOAKNSA-N 1 2 371.387 3.446 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000366671865 499028146 /nfs/dbraw/zinc/02/81/46/499028146.db2.gz JZIRAKIIHJACMG-RBUKOAKNSA-N 1 2 371.387 3.446 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNC(=O)CCCC#N)c2ccc(Cl)cc2)CCO1 ZINC000291745166 499054823 /nfs/dbraw/zinc/05/48/23/499054823.db2.gz SCTHJHOGOHTUQQ-QGZVFWFLSA-N 1 2 363.889 3.302 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNC(=O)CCCC#N)c2ccc(Cl)cc2)CCO1 ZINC000291745166 499054829 /nfs/dbraw/zinc/05/48/29/499054829.db2.gz SCTHJHOGOHTUQQ-QGZVFWFLSA-N 1 2 363.889 3.302 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329245093 499083365 /nfs/dbraw/zinc/08/33/65/499083365.db2.gz VBJMAIDNAZDZJB-HCXYKTFWSA-N 1 2 350.466 3.380 20 30 FGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329245093 499083367 /nfs/dbraw/zinc/08/33/67/499083367.db2.gz VBJMAIDNAZDZJB-HCXYKTFWSA-N 1 2 350.466 3.380 20 30 FGEDLO CC1(C)C[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C(C)(C)O1 ZINC000329254549 499084956 /nfs/dbraw/zinc/08/49/56/499084956.db2.gz WXNMTTVAJORIOK-INIZCTEOSA-N 1 2 360.502 3.422 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329347075 499104951 /nfs/dbraw/zinc/10/49/51/499104951.db2.gz RRSNOVDRSXVNTB-GOEBONIOSA-N 1 2 368.485 3.375 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000364062169 499104945 /nfs/dbraw/zinc/10/49/45/499104945.db2.gz QTPRKPJHTHKWNG-DYESRHJHSA-N 1 2 360.461 3.478 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000364062169 499104946 /nfs/dbraw/zinc/10/49/46/499104946.db2.gz QTPRKPJHTHKWNG-DYESRHJHSA-N 1 2 360.461 3.478 20 30 FGEDLO O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329349701 499105546 /nfs/dbraw/zinc/10/55/46/499105546.db2.gz SSDVKAJMZOJTPF-LJQANCHMSA-N 1 2 359.445 3.449 20 30 FGEDLO O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329349701 499105551 /nfs/dbraw/zinc/10/55/51/499105551.db2.gz SSDVKAJMZOJTPF-LJQANCHMSA-N 1 2 359.445 3.449 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000329387167 499113076 /nfs/dbraw/zinc/11/30/76/499113076.db2.gz QBBWTNKMHBVETH-AWEZNQCLSA-N 1 2 371.460 3.179 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)C1 ZINC000329407854 499116652 /nfs/dbraw/zinc/11/66/52/499116652.db2.gz CHKDTYUWYUKVHC-CJNGLKHVSA-N 1 2 358.417 3.176 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH]1 ZINC000329436348 499121810 /nfs/dbraw/zinc/12/18/10/499121810.db2.gz JVYUSJLHZXXWIE-LLVKDONJSA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH]1 ZINC000329436348 499121812 /nfs/dbraw/zinc/12/18/12/499121812.db2.gz JVYUSJLHZXXWIE-LLVKDONJSA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329436348 499121815 /nfs/dbraw/zinc/12/18/15/499121815.db2.gz JVYUSJLHZXXWIE-LLVKDONJSA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329436348 499121817 /nfs/dbraw/zinc/12/18/17/499121817.db2.gz JVYUSJLHZXXWIE-LLVKDONJSA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc[nH+]1 ZINC000329446309 499123022 /nfs/dbraw/zinc/12/30/22/499123022.db2.gz COSVKZCJGUDYTN-OKZBNKHCSA-N 1 2 357.502 3.180 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000372469076 499131179 /nfs/dbraw/zinc/13/11/79/499131179.db2.gz RASOLSUJKXYRHL-UHFFFAOYSA-N 1 2 351.841 3.191 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000372469076 499131182 /nfs/dbraw/zinc/13/11/82/499131182.db2.gz RASOLSUJKXYRHL-UHFFFAOYSA-N 1 2 351.841 3.191 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057021 499141282 /nfs/dbraw/zinc/14/12/82/499141282.db2.gz FAVBRAYJDDINRA-OAHLLOKOSA-N 1 2 359.433 3.349 20 30 FGEDLO N#Cc1ccc(-c2cnc(CN3CC[NH+](Cc4cccc(O)c4)CC3)o2)cc1 ZINC000369904421 499149549 /nfs/dbraw/zinc/14/95/49/499149549.db2.gz LVMQRNSVJWQUSX-UHFFFAOYSA-N 1 2 374.444 3.237 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372680850 499160342 /nfs/dbraw/zinc/16/03/42/499160342.db2.gz NNQNGVNVQVBDBQ-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372680850 499160344 /nfs/dbraw/zinc/16/03/44/499160344.db2.gz NNQNGVNVQVBDBQ-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000576335209 506133838 /nfs/dbraw/zinc/13/38/38/506133838.db2.gz HXRNVAPNACCFBK-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000576335209 506133840 /nfs/dbraw/zinc/13/38/40/506133840.db2.gz HXRNVAPNACCFBK-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370121742 499183874 /nfs/dbraw/zinc/18/38/74/499183874.db2.gz VEYKKGHPHVMIJW-NQIIRXRSSA-N 1 2 365.481 3.002 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370121742 499183877 /nfs/dbraw/zinc/18/38/77/499183877.db2.gz VEYKKGHPHVMIJW-NQIIRXRSSA-N 1 2 365.481 3.002 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367457847 499201139 /nfs/dbraw/zinc/20/11/39/499201139.db2.gz HVVLVVBZPKBYJV-KXBFYZLASA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000367457847 499201140 /nfs/dbraw/zinc/20/11/40/499201140.db2.gz HVVLVVBZPKBYJV-KXBFYZLASA-N 1 2 359.495 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000368073381 499261740 /nfs/dbraw/zinc/26/17/40/499261740.db2.gz ZJVXQNGWJXVRQQ-QFBILLFUSA-N 1 2 371.506 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000368073381 499261741 /nfs/dbraw/zinc/26/17/41/499261741.db2.gz ZJVXQNGWJXVRQQ-QFBILLFUSA-N 1 2 371.506 3.274 20 30 FGEDLO C[C@H](O)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000368242072 499277334 /nfs/dbraw/zinc/27/73/34/499277334.db2.gz OHWOLLAOCKLTHH-LBPRGKRZSA-N 1 2 361.442 3.251 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000371293527 499306789 /nfs/dbraw/zinc/30/67/89/499306789.db2.gz WMHTXUINISCDGR-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000371293527 499306792 /nfs/dbraw/zinc/30/67/92/499306792.db2.gz WMHTXUINISCDGR-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368846564 499339065 /nfs/dbraw/zinc/33/90/65/499339065.db2.gz VSAZSOBNUQLWTC-MRXNPFEDSA-N 1 2 373.522 3.379 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368846564 499339067 /nfs/dbraw/zinc/33/90/67/499339067.db2.gz VSAZSOBNUQLWTC-MRXNPFEDSA-N 1 2 373.522 3.379 20 30 FGEDLO N#C[C@@]1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCc2ccccc2C1 ZINC000371920759 499379556 /nfs/dbraw/zinc/37/95/56/499379556.db2.gz FMYLYIUNAPGYJJ-OAQYLSRUSA-N 1 2 368.400 3.268 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000369347942 499394091 /nfs/dbraw/zinc/39/40/91/499394091.db2.gz YXHBBPCTLMTROG-INIZCTEOSA-N 1 2 369.465 3.186 20 30 FGEDLO N#Cc1cc2c(nc1NC1CC[NH+](Cc3cscn3)CC1)CCCC2 ZINC000372316311 499419949 /nfs/dbraw/zinc/41/99/49/499419949.db2.gz MCXFIVZGXLQKKU-UHFFFAOYSA-N 1 2 353.495 3.365 20 30 FGEDLO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373409021 499468147 /nfs/dbraw/zinc/46/81/47/499468147.db2.gz ZVBZSHRZKZCAND-GFCCVEGCSA-N 1 2 371.395 3.293 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000378442037 499517374 /nfs/dbraw/zinc/51/73/74/499517374.db2.gz BWWYPWBGMZOGIG-MAUKXSAKSA-N 1 2 369.469 3.031 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(F)cc(C#N)cc3F)CC2)no1 ZINC000375655542 499541710 /nfs/dbraw/zinc/54/17/10/499541710.db2.gz CSRXXZBNXUIRRG-CQSZACIVSA-N 1 2 361.396 3.019 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(F)cc(C#N)cc3F)CC2)no1 ZINC000375655542 499541711 /nfs/dbraw/zinc/54/17/11/499541711.db2.gz CSRXXZBNXUIRRG-CQSZACIVSA-N 1 2 361.396 3.019 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000375732882 499549718 /nfs/dbraw/zinc/54/97/18/499549718.db2.gz RXXAQLJSZMKWDA-KBAYOESNSA-N 1 2 357.429 3.136 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000376293683 499598028 /nfs/dbraw/zinc/59/80/28/499598028.db2.gz MYIBEPKWDLGDGO-UHFFFAOYSA-N 1 2 366.465 3.115 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)cc1OC ZINC000376737216 499632987 /nfs/dbraw/zinc/63/29/87/499632987.db2.gz AJLXALYSLWMTOG-LJQANCHMSA-N 1 2 373.453 3.209 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377035974 499655577 /nfs/dbraw/zinc/65/55/77/499655577.db2.gz VXJDIHDVXPAVJR-INIZCTEOSA-N 1 2 357.502 3.438 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377080124 499660251 /nfs/dbraw/zinc/66/02/51/499660251.db2.gz DVUWPLRVVJZHJI-NHCUHLMSSA-N 1 2 372.509 3.494 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1)[NH+]1CCOCC1 ZINC000410433799 499662327 /nfs/dbraw/zinc/66/23/27/499662327.db2.gz DFLLRHRUQRAUIE-CYBMUJFWSA-N 1 2 370.840 3.252 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)c(F)c1 ZINC000377124638 499664268 /nfs/dbraw/zinc/66/42/68/499664268.db2.gz GCUMZQRCJNRHDE-UHFFFAOYSA-N 1 2 356.426 3.450 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000377316738 499679298 /nfs/dbraw/zinc/67/92/98/499679298.db2.gz LKGYWFADXCKKBD-OALUTQOASA-N 1 2 363.465 3.129 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411136059 499701761 /nfs/dbraw/zinc/70/17/61/499701761.db2.gz OFQRCUPYMHYOBI-AWEZNQCLSA-N 1 2 364.902 3.237 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411136059 499701762 /nfs/dbraw/zinc/70/17/62/499701762.db2.gz OFQRCUPYMHYOBI-AWEZNQCLSA-N 1 2 364.902 3.237 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Cc3ccccn3)CC2)C1=O ZINC000378062313 499756724 /nfs/dbraw/zinc/75/67/24/499756724.db2.gz ZZTWVJFQNOSNLA-GOSISDBHSA-N 1 2 366.490 3.075 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000414162694 499764854 /nfs/dbraw/zinc/76/48/54/499764854.db2.gz DUGUYSIRJIWWBX-QGZVFWFLSA-N 1 2 372.852 3.156 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000414162694 499764855 /nfs/dbraw/zinc/76/48/55/499764855.db2.gz DUGUYSIRJIWWBX-QGZVFWFLSA-N 1 2 372.852 3.156 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c2[nH+]ccn21 ZINC000573300136 506166010 /nfs/dbraw/zinc/16/60/10/506166010.db2.gz NUOULCOFKAQBQT-RHSMWYFYSA-N 1 2 360.421 3.096 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428905654 499955819 /nfs/dbraw/zinc/95/58/19/499955819.db2.gz KGIHPCYUDPBRGV-UHFFFAOYSA-N 1 2 364.489 3.390 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429325216 500053250 /nfs/dbraw/zinc/05/32/50/500053250.db2.gz DEJGCRXGOKURPB-LJQANCHMSA-N 1 2 356.429 3.419 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000413841745 500073751 /nfs/dbraw/zinc/07/37/51/500073751.db2.gz XCGRXBZQGHUHIM-AZUAARDMSA-N 1 2 351.450 3.432 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000414094875 500152118 /nfs/dbraw/zinc/15/21/18/500152118.db2.gz JFYRNVWZMQUWPG-KRWDZBQOSA-N 1 2 366.490 3.324 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000414094875 500152120 /nfs/dbraw/zinc/15/21/20/500152120.db2.gz JFYRNVWZMQUWPG-KRWDZBQOSA-N 1 2 366.490 3.324 20 30 FGEDLO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H](CC)CC#N)sc(C)c1CC ZINC000576526990 506178890 /nfs/dbraw/zinc/17/88/90/506178890.db2.gz MJNJBLWCMMLXKD-LBPRGKRZSA-N 1 2 351.472 3.016 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000582297936 506180534 /nfs/dbraw/zinc/18/05/34/506180534.db2.gz PSUAZXGBZWPTKI-LEAZDLGRSA-N 1 2 366.465 3.002 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000426856022 500329670 /nfs/dbraw/zinc/32/96/70/500329670.db2.gz JDKDWADKCSGFLC-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1ccccc1 ZINC000426999057 500343445 /nfs/dbraw/zinc/34/34/45/500343445.db2.gz UHBKYLGHWHKRTN-UHFFFAOYSA-N 1 2 360.379 3.305 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1ccccc1 ZINC000426999057 500343448 /nfs/dbraw/zinc/34/34/48/500343448.db2.gz UHBKYLGHWHKRTN-UHFFFAOYSA-N 1 2 360.379 3.305 20 30 FGEDLO C=CCN1C(=O)N([C@H](C)c2[nH+]ccn2CC)C(=O)[C@H]1Cc1ccccc1 ZINC000420023059 500415147 /nfs/dbraw/zinc/41/51/47/500415147.db2.gz WVHJTNBDYXDYFM-NVXWUHKLSA-N 1 2 352.438 3.026 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)oc1C ZINC000432926936 500592538 /nfs/dbraw/zinc/59/25/38/500592538.db2.gz FDPSQYJTJBRDRM-CQSZACIVSA-N 1 2 353.422 3.130 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000442731504 500616491 /nfs/dbraw/zinc/61/64/91/500616491.db2.gz JARUOINVOZKJQX-YMTOWFKASA-N 1 2 364.268 3.259 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000437643212 500674695 /nfs/dbraw/zinc/67/46/95/500674695.db2.gz BMWHZRZSTOZUFE-IBGZPJMESA-N 1 2 350.890 3.213 20 30 FGEDLO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000443108855 500681063 /nfs/dbraw/zinc/68/10/63/500681063.db2.gz KAGRROBVHNKEBY-HXUWFJFHSA-N 1 2 363.461 3.391 20 30 FGEDLO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000443108855 500681067 /nfs/dbraw/zinc/68/10/67/500681067.db2.gz KAGRROBVHNKEBY-HXUWFJFHSA-N 1 2 363.461 3.391 20 30 FGEDLO C=CCCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448034791 500710795 /nfs/dbraw/zinc/71/07/95/500710795.db2.gz LJVIRTPGWKYRIP-UHFFFAOYSA-N 1 2 351.878 3.012 20 30 FGEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC12CCCC2 ZINC000448588116 500778791 /nfs/dbraw/zinc/77/87/91/500778791.db2.gz STFXKLZJSOSFTK-HXUWFJFHSA-N 1 2 357.885 3.458 20 30 FGEDLO N#CCC[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000438835761 500825268 /nfs/dbraw/zinc/82/52/68/500825268.db2.gz DNIIWELLUNFPKN-AWEZNQCLSA-N 1 2 365.359 3.290 20 30 FGEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000444762613 500894245 /nfs/dbraw/zinc/89/42/45/500894245.db2.gz AQWNAKNFBSSFNY-CYBMUJFWSA-N 1 2 373.840 3.474 20 30 FGEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765950 500894933 /nfs/dbraw/zinc/89/49/33/500894933.db2.gz FSBHRGSRXSOVIQ-AWEZNQCLSA-N 1 2 362.905 3.027 20 30 FGEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438326 500897149 /nfs/dbraw/zinc/89/71/49/500897149.db2.gz CNUIGDJVASCTGX-IAGOWNOFSA-N 1 2 367.367 3.007 20 30 FGEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438326 500897153 /nfs/dbraw/zinc/89/71/53/500897153.db2.gz CNUIGDJVASCTGX-IAGOWNOFSA-N 1 2 367.367 3.007 20 30 FGEDLO N#Cc1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000444780247 500899196 /nfs/dbraw/zinc/89/91/96/500899196.db2.gz FIMZOBDDSNNIHI-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444787304 500901237 /nfs/dbraw/zinc/90/12/37/500901237.db2.gz WYMZUGSPIJRTKL-HZPDHXFCSA-N 1 2 374.916 3.123 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)C(N)=O)cc1 ZINC000439646943 500921997 /nfs/dbraw/zinc/92/19/97/500921997.db2.gz WTNBBBRRSSKZDT-UKRRQHHQSA-N 1 2 362.216 3.115 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000435023477 500923735 /nfs/dbraw/zinc/92/37/35/500923735.db2.gz KRJMRBNESVCGAZ-GOSISDBHSA-N 1 2 369.415 3.287 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000602595790 506228426 /nfs/dbraw/zinc/22/84/26/506228426.db2.gz YWUSKZOWAPICHH-IKGGRYGDSA-N 1 2 358.486 3.206 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000602595792 506228586 /nfs/dbraw/zinc/22/85/86/506228586.db2.gz YWUSKZOWAPICHH-ZACQAIPSSA-N 1 2 358.486 3.206 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000435679546 501009778 /nfs/dbraw/zinc/00/97/78/501009778.db2.gz AEEIVYVSXVIIAK-UHFFFAOYSA-N 1 2 374.404 3.349 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000441000777 501073223 /nfs/dbraw/zinc/07/32/23/501073223.db2.gz NTADRJFOJKWOBJ-UHFFFAOYSA-N 1 2 351.454 3.061 20 30 FGEDLO N#Cc1ccc(OCC(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)cc1 ZINC000446110346 501076389 /nfs/dbraw/zinc/07/63/89/501076389.db2.gz ZMTZBCCRQBWUIB-UHFFFAOYSA-N 1 2 350.353 3.033 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000449955329 501136707 /nfs/dbraw/zinc/13/67/07/501136707.db2.gz YSMXXIHPFZFSID-IBGZPJMESA-N 1 2 372.419 3.382 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1O ZINC000446910772 501180636 /nfs/dbraw/zinc/18/06/36/501180636.db2.gz CQOVFFSRQZYTBA-UHFFFAOYSA-N 1 2 357.841 3.248 20 30 FGEDLO Cc1ccn2c(CN3CCN(c4ccc(C#N)cc4Cl)CC3)c[nH+]c2c1 ZINC000446917208 501181616 /nfs/dbraw/zinc/18/16/16/501181616.db2.gz WPQSHFSDPJHETR-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO Cc1ccn2c(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)cnc2c1 ZINC000446917208 501181618 /nfs/dbraw/zinc/18/16/18/501181618.db2.gz WPQSHFSDPJHETR-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn4ccccc34)CC2)c(Cl)c1 ZINC000446929270 501182943 /nfs/dbraw/zinc/18/29/43/501182943.db2.gz PHQYZTNXPWYFPT-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO N#Cc1cccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000450221021 501212989 /nfs/dbraw/zinc/21/29/89/501212989.db2.gz NNTCDIJNCBWMPE-HNNXBMFYSA-N 1 2 358.423 3.013 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1C ZINC000451268508 501256605 /nfs/dbraw/zinc/25/66/05/501256605.db2.gz RREZMGRVSCIOJK-IRLDBZIGSA-N 1 2 370.468 3.274 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1C ZINC000451268508 501256606 /nfs/dbraw/zinc/25/66/06/501256606.db2.gz RREZMGRVSCIOJK-IRLDBZIGSA-N 1 2 370.468 3.274 20 30 FGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2n1CCCC2 ZINC000451402716 501284553 /nfs/dbraw/zinc/28/45/53/501284553.db2.gz JUEREHVXAWCGBM-UHFFFAOYSA-N 1 2 361.396 3.112 20 30 FGEDLO COc1cc(C#N)ccc1OCc1nc(CCc2[nH+]cccc2C)no1 ZINC000453235593 501296294 /nfs/dbraw/zinc/29/62/94/501296294.db2.gz YGFJRSLSOYNKKX-UHFFFAOYSA-N 1 2 350.378 3.018 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455453065 501306470 /nfs/dbraw/zinc/30/64/70/501306470.db2.gz HCWIMMRRVJPKOZ-JTQLQIEISA-N 1 2 362.231 3.420 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc(OC)c1OC ZINC000455487391 501315898 /nfs/dbraw/zinc/31/58/98/501315898.db2.gz QEQJFEQHTWIEAR-XJKSGUPXSA-N 1 2 370.453 3.134 20 30 FGEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651075 506246025 /nfs/dbraw/zinc/24/60/25/506246025.db2.gz VDWZODLMRMVBIG-RTBURBONSA-N 1 2 369.900 3.407 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651075 506246030 /nfs/dbraw/zinc/24/60/30/506246030.db2.gz VDWZODLMRMVBIG-RTBURBONSA-N 1 2 369.900 3.407 20 30 FGEDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451800207 501374255 /nfs/dbraw/zinc/37/42/55/501374255.db2.gz ZTYHTAYTISRVSQ-HNNXBMFYSA-N 1 2 374.353 3.293 20 30 FGEDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451800207 501374259 /nfs/dbraw/zinc/37/42/59/501374259.db2.gz ZTYHTAYTISRVSQ-HNNXBMFYSA-N 1 2 374.353 3.293 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1C ZINC000451874870 501390267 /nfs/dbraw/zinc/39/02/67/501390267.db2.gz SRVHYEUWNHNTLH-CQSZACIVSA-N 1 2 371.447 3.290 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1C ZINC000451874870 501390269 /nfs/dbraw/zinc/39/02/69/501390269.db2.gz SRVHYEUWNHNTLH-CQSZACIVSA-N 1 2 371.447 3.290 20 30 FGEDLO CN(C)c1cc(NC(=O)N(CCC#N)CC2CC2)[nH+]cc1Br ZINC000455870895 501403840 /nfs/dbraw/zinc/40/38/40/501403840.db2.gz SYKDYYZSLOCNHV-UHFFFAOYSA-N 1 2 366.263 3.068 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458608234 501486735 /nfs/dbraw/zinc/48/67/35/501486735.db2.gz KWIJNPVMFCEMRD-IRXDYDNUSA-N 1 2 365.905 3.223 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458608234 501486737 /nfs/dbraw/zinc/48/67/37/501486737.db2.gz KWIJNPVMFCEMRD-IRXDYDNUSA-N 1 2 365.905 3.223 20 30 FGEDLO C=C(C)[C@H](CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)OCC ZINC000456656840 501568511 /nfs/dbraw/zinc/56/85/11/501568511.db2.gz GTMNHRGPYHMVDY-ZDUSSCGKSA-N 1 2 356.264 3.220 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000454577573 501582506 /nfs/dbraw/zinc/58/25/06/501582506.db2.gz ADXQTSQKPCZUQB-CYBMUJFWSA-N 1 2 364.371 3.334 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000459351616 501637054 /nfs/dbraw/zinc/63/70/54/501637054.db2.gz WZLNFBRERDYABD-SFHVURJKSA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000459351616 501637055 /nfs/dbraw/zinc/63/70/55/501637055.db2.gz WZLNFBRERDYABD-SFHVURJKSA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000459370672 501641153 /nfs/dbraw/zinc/64/11/53/501641153.db2.gz GFCNDDIKVFZHIY-LJQANCHMSA-N 1 2 351.406 3.338 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000459370672 501641154 /nfs/dbraw/zinc/64/11/54/501641154.db2.gz GFCNDDIKVFZHIY-LJQANCHMSA-N 1 2 351.406 3.338 20 30 FGEDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459391498 501645082 /nfs/dbraw/zinc/64/50/82/501645082.db2.gz PWTUDFDZDWQAQG-UGSOOPFHSA-N 1 2 353.378 3.106 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457284927 501676173 /nfs/dbraw/zinc/67/61/73/501676173.db2.gz FZOOVDKHMVUIRT-MRXNPFEDSA-N 1 2 358.467 3.118 20 30 FGEDLO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCn2cc[nH+]c2C1 ZINC000460383704 501809882 /nfs/dbraw/zinc/80/98/82/501809882.db2.gz CNKBCORGCOGDQN-UHFFFAOYSA-N 1 2 362.481 3.246 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707944 501857210 /nfs/dbraw/zinc/85/72/10/501857210.db2.gz WCYCAGARYSKICH-UNMCSNQZSA-N 1 2 362.429 3.294 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707944 501857216 /nfs/dbraw/zinc/85/72/16/501857216.db2.gz WCYCAGARYSKICH-UNMCSNQZSA-N 1 2 362.429 3.294 20 30 FGEDLO CCN(C(=O)CCCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464043936 501882678 /nfs/dbraw/zinc/88/26/78/501882678.db2.gz AWQWRJUVZZSLMZ-UHFFFAOYSA-N 1 2 357.502 3.420 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000471019524 501893217 /nfs/dbraw/zinc/89/32/17/501893217.db2.gz QHLAKKSBKDNGNB-KRWDZBQOSA-N 1 2 373.840 3.102 20 30 FGEDLO Cc1cc(N(C)Cc2nccs2)c(C#N)c(N(C)Cc2nccs2)[nH+]1 ZINC000596147575 506280429 /nfs/dbraw/zinc/28/04/29/506280429.db2.gz SZLRYWIHZMPTDJ-UHFFFAOYSA-N 1 2 370.507 3.448 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Oc3ccccn3)CC2)c1C ZINC000471162134 501941760 /nfs/dbraw/zinc/94/17/60/501941760.db2.gz NYZSOZHTJBMEOJ-UHFFFAOYSA-N 1 2 353.466 3.412 20 30 FGEDLO CC[C@@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471163420 501942042 /nfs/dbraw/zinc/94/20/42/501942042.db2.gz VXXRNKKUAIYSAN-OAQYLSRUSA-N 1 2 369.509 3.330 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464726243 502074528 /nfs/dbraw/zinc/07/45/28/502074528.db2.gz RCYYFJXLTDIRGB-GOSISDBHSA-N 1 2 354.498 3.176 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C(F)(F)F ZINC000461394349 502092236 /nfs/dbraw/zinc/09/22/36/502092236.db2.gz JAQWRQOJYQALOE-GFCCVEGCSA-N 1 2 356.157 3.499 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C(F)(F)F ZINC000461394349 502092240 /nfs/dbraw/zinc/09/22/40/502092240.db2.gz JAQWRQOJYQALOE-GFCCVEGCSA-N 1 2 356.157 3.499 20 30 FGEDLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464818281 502103911 /nfs/dbraw/zinc/10/39/11/502103911.db2.gz LECHESWGEAKDQD-RTWAWAEBSA-N 1 2 363.461 3.083 20 30 FGEDLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464818281 502103920 /nfs/dbraw/zinc/10/39/20/502103920.db2.gz LECHESWGEAKDQD-RTWAWAEBSA-N 1 2 363.461 3.083 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662510 506297835 /nfs/dbraw/zinc/29/78/35/506297835.db2.gz AUVCTOJOQKGNQB-MJGOQNOKSA-N 1 2 363.889 3.302 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662510 506297837 /nfs/dbraw/zinc/29/78/37/506297837.db2.gz AUVCTOJOQKGNQB-MJGOQNOKSA-N 1 2 363.889 3.302 20 30 FGEDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000461785157 502200927 /nfs/dbraw/zinc/20/09/27/502200927.db2.gz NJNCOKBZVJPRNH-KUHUBIRLSA-N 1 2 362.408 3.440 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000475588904 502221412 /nfs/dbraw/zinc/22/14/12/502221412.db2.gz RCCLXEDFAMOKHW-UHFFFAOYSA-N 1 2 350.344 3.177 20 30 FGEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000461957196 502251639 /nfs/dbraw/zinc/25/16/39/502251639.db2.gz KDAIQLVATYFIGN-MSOLQXFVSA-N 1 2 351.454 3.007 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000465406996 502253124 /nfs/dbraw/zinc/25/31/24/502253124.db2.gz UHTZVDPETPAHOV-UHFFFAOYSA-N 1 2 373.869 3.300 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000465406996 502253131 /nfs/dbraw/zinc/25/31/31/502253131.db2.gz UHTZVDPETPAHOV-UHFFFAOYSA-N 1 2 373.869 3.300 20 30 FGEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000461957392 502253454 /nfs/dbraw/zinc/25/34/54/502253454.db2.gz KDAIQLVATYFIGN-ROUUACIJSA-N 1 2 351.454 3.007 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461960777 502254477 /nfs/dbraw/zinc/25/44/77/502254477.db2.gz SQEZRCZRDVZLPK-IIDMSEBBSA-N 1 2 360.889 3.420 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCc3cccc(C#N)c3)c2C1 ZINC000466679634 502640821 /nfs/dbraw/zinc/64/08/21/502640821.db2.gz WJJDOFOUBOAHJI-UHFFFAOYSA-N 1 2 370.456 3.067 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCCc3cccc(C#N)c3)c2C1 ZINC000466679634 502640824 /nfs/dbraw/zinc/64/08/24/502640824.db2.gz WJJDOFOUBOAHJI-UHFFFAOYSA-N 1 2 370.456 3.067 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000484561647 502670767 /nfs/dbraw/zinc/67/07/67/502670767.db2.gz VBOVBOBBCSFHHR-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000484561647 502670771 /nfs/dbraw/zinc/67/07/71/502670771.db2.gz VBOVBOBBCSFHHR-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000484791075 502740813 /nfs/dbraw/zinc/74/08/13/502740813.db2.gz MRWBZLGNOVRJJS-UHFFFAOYSA-N 1 2 362.458 3.212 20 30 FGEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000470442046 502775248 /nfs/dbraw/zinc/77/52/48/502775248.db2.gz IVYBRUYLNXWUQK-SFHVURJKSA-N 1 2 363.461 3.066 20 30 FGEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000470442046 502775252 /nfs/dbraw/zinc/77/52/52/502775252.db2.gz IVYBRUYLNXWUQK-SFHVURJKSA-N 1 2 363.461 3.066 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000505034589 502842699 /nfs/dbraw/zinc/84/26/99/502842699.db2.gz FLFQKTGPYDFCNH-LJQANCHMSA-N 1 2 364.836 3.393 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(C3CCC3)C3CCC3)CC2)cc1 ZINC000505163397 502862103 /nfs/dbraw/zinc/86/21/03/502862103.db2.gz DIQVLRWCVNFYAJ-UHFFFAOYSA-N 1 2 351.494 3.419 20 30 FGEDLO C[N@@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000602894197 506341442 /nfs/dbraw/zinc/34/14/42/506341442.db2.gz WCEGHWTULKTECS-LBPRGKRZSA-N 1 2 354.376 3.314 20 30 FGEDLO C[N@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000602894197 506341450 /nfs/dbraw/zinc/34/14/50/506341450.db2.gz WCEGHWTULKTECS-LBPRGKRZSA-N 1 2 354.376 3.314 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501064135 502925255 /nfs/dbraw/zinc/92/52/55/502925255.db2.gz TXYCNEKLORKIEJ-APWZRJJASA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501064135 502925259 /nfs/dbraw/zinc/92/52/59/502925259.db2.gz TXYCNEKLORKIEJ-APWZRJJASA-N 1 2 352.434 3.408 20 30 FGEDLO CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000505563768 502937057 /nfs/dbraw/zinc/93/70/57/502937057.db2.gz BAXCFJNXSRJWKK-PMACEKPBSA-N 1 2 354.498 3.354 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000602897702 506343374 /nfs/dbraw/zinc/34/33/74/506343374.db2.gz CHMRZYLHOHUYDT-UHFFFAOYSA-N 1 2 370.403 3.351 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513539470 502961810 /nfs/dbraw/zinc/96/18/10/502961810.db2.gz FXSPYPKZOJDUKC-INIZCTEOSA-N 1 2 360.417 3.152 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000489553110 502984139 /nfs/dbraw/zinc/98/41/39/502984139.db2.gz YRGMNMHRNJMJIX-QGZVFWFLSA-N 1 2 372.509 3.431 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000489553110 502984141 /nfs/dbraw/zinc/98/41/41/502984141.db2.gz YRGMNMHRNJMJIX-QGZVFWFLSA-N 1 2 372.509 3.431 20 30 FGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906372 506346646 /nfs/dbraw/zinc/34/66/46/506346646.db2.gz GSRBWPQCEPESRZ-OAHLLOKOSA-N 1 2 369.490 3.297 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)nc1 ZINC000602910287 506347727 /nfs/dbraw/zinc/34/77/27/506347727.db2.gz PTMOLIPWLBRDSI-UHFFFAOYSA-N 1 2 356.376 3.050 20 30 FGEDLO Cc1cc([C@@H](C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)nc(C)n1 ZINC000489888496 503057420 /nfs/dbraw/zinc/05/74/20/503057420.db2.gz PGWYGLGDBNXPOL-CYBMUJFWSA-N 1 2 368.347 3.102 20 30 FGEDLO C=CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000514016017 503069867 /nfs/dbraw/zinc/06/98/67/503069867.db2.gz RGUYUXOWLSFFMD-HNNXBMFYSA-N 1 2 364.902 3.381 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000490100474 503109415 /nfs/dbraw/zinc/10/94/15/503109415.db2.gz HMUONWLLEQKHKI-IBGZPJMESA-N 1 2 359.433 3.221 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000490100474 503109419 /nfs/dbraw/zinc/10/94/19/503109419.db2.gz HMUONWLLEQKHKI-IBGZPJMESA-N 1 2 359.433 3.221 20 30 FGEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)s2)o1 ZINC000506430185 503113712 /nfs/dbraw/zinc/11/37/12/503113712.db2.gz BICGIHBUVWEEPN-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(OC(F)F)cc1C ZINC000506664689 503152921 /nfs/dbraw/zinc/15/29/21/503152921.db2.gz XGOHUTQNTBXYNG-UHFFFAOYSA-N 1 2 372.419 3.494 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643210 503162532 /nfs/dbraw/zinc/16/25/32/503162532.db2.gz FEXGXJNDCYTEQC-PMACEKPBSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643210 503162535 /nfs/dbraw/zinc/16/25/35/503162535.db2.gz FEXGXJNDCYTEQC-PMACEKPBSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643224 503162893 /nfs/dbraw/zinc/16/28/93/503162893.db2.gz FEXGXJNDCYTEQC-WOJBJXKFSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643224 503162898 /nfs/dbraw/zinc/16/28/98/503162898.db2.gz FEXGXJNDCYTEQC-WOJBJXKFSA-N 1 2 352.482 3.033 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000502307917 503177485 /nfs/dbraw/zinc/17/74/85/503177485.db2.gz WAAQTJVTFVLFAO-UHFFFAOYSA-N 1 2 361.449 3.018 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507206284 503249858 /nfs/dbraw/zinc/24/98/58/503249858.db2.gz NNZLILJKGAGCBC-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000507219673 503253902 /nfs/dbraw/zinc/25/39/02/503253902.db2.gz PPRYSRFWKCAOLZ-NRFANRHFSA-N 1 2 363.461 3.179 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000507219673 503253906 /nfs/dbraw/zinc/25/39/06/503253906.db2.gz PPRYSRFWKCAOLZ-NRFANRHFSA-N 1 2 363.461 3.179 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054247 506361809 /nfs/dbraw/zinc/36/18/09/506361809.db2.gz HSPAVQQKOBTALB-NSHDSACASA-N 1 2 355.335 3.252 20 30 FGEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502901501 503303064 /nfs/dbraw/zinc/30/30/64/503303064.db2.gz HZLLCCXMOHGQJC-KRWDZBQOSA-N 1 2 370.497 3.068 20 30 FGEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502901501 503303070 /nfs/dbraw/zinc/30/30/70/503303070.db2.gz HZLLCCXMOHGQJC-KRWDZBQOSA-N 1 2 370.497 3.068 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000498972534 503307192 /nfs/dbraw/zinc/30/71/92/503307192.db2.gz DTCCSZRJIJZHMW-WMLDXEAASA-N 1 2 363.339 3.134 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000498972534 503307194 /nfs/dbraw/zinc/30/71/94/503307194.db2.gz DTCCSZRJIJZHMW-WMLDXEAASA-N 1 2 363.339 3.134 20 30 FGEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000511403539 503314735 /nfs/dbraw/zinc/31/47/35/503314735.db2.gz BSXCHCDXEDSACM-UHFFFAOYSA-N 1 2 373.412 3.098 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000491974362 503340185 /nfs/dbraw/zinc/34/01/85/503340185.db2.gz BLUXCRAMHRIUPC-UHFFFAOYSA-N 1 2 358.405 3.009 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000507674134 503344723 /nfs/dbraw/zinc/34/47/23/503344723.db2.gz RCGCKJMGEUHJQC-INIZCTEOSA-N 1 2 365.468 3.068 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000511765476 503383082 /nfs/dbraw/zinc/38/30/82/503383082.db2.gz RNPYSGLLPOPADG-OAHLLOKOSA-N 1 2 373.378 3.370 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000511765476 503383086 /nfs/dbraw/zinc/38/30/86/503383086.db2.gz RNPYSGLLPOPADG-OAHLLOKOSA-N 1 2 373.378 3.370 20 30 FGEDLO C=CCNC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)nc1 ZINC000492913445 503393243 /nfs/dbraw/zinc/39/32/43/503393243.db2.gz UAPREXVEEYVLHX-SFHVURJKSA-N 1 2 365.412 3.072 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602974402 506370730 /nfs/dbraw/zinc/37/07/30/506370730.db2.gz NWSXRYPPTQUUOF-AZUAARDMSA-N 1 2 351.450 3.432 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602974402 506370737 /nfs/dbraw/zinc/37/07/37/506370737.db2.gz NWSXRYPPTQUUOF-AZUAARDMSA-N 1 2 351.450 3.432 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](Cc2csc(Br)c2)C2CC2)C1=O ZINC000499578212 503436047 /nfs/dbraw/zinc/43/60/47/503436047.db2.gz YWXJYXNXCNKYHY-ZDUSSCGKSA-N 1 2 355.301 3.262 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](Cc2csc(Br)c2)C2CC2)C1=O ZINC000499578212 503436051 /nfs/dbraw/zinc/43/60/51/503436051.db2.gz YWXJYXNXCNKYHY-ZDUSSCGKSA-N 1 2 355.301 3.262 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508333684 503476737 /nfs/dbraw/zinc/47/67/37/503476737.db2.gz NTJVGORPQJHMES-GOSISDBHSA-N 1 2 367.493 3.419 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508333684 503476739 /nfs/dbraw/zinc/47/67/39/503476739.db2.gz NTJVGORPQJHMES-GOSISDBHSA-N 1 2 367.493 3.419 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000512217567 503489293 /nfs/dbraw/zinc/48/92/93/503489293.db2.gz GGVQGELAOSRURY-ZWKOTPCHSA-N 1 2 370.493 3.458 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000512217567 503489296 /nfs/dbraw/zinc/48/92/96/503489296.db2.gz GGVQGELAOSRURY-ZWKOTPCHSA-N 1 2 370.493 3.458 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000504065579 503516942 /nfs/dbraw/zinc/51/69/42/503516942.db2.gz AFXZFPHUNLIHSY-UHFFFAOYSA-N 1 2 357.417 3.205 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000494395602 503535829 /nfs/dbraw/zinc/53/58/29/503535829.db2.gz UZQRTOSWTOOEGP-AWEZNQCLSA-N 1 2 363.259 3.347 20 30 FGEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508706825 503547849 /nfs/dbraw/zinc/54/78/49/503547849.db2.gz QQJVLVCKRXCYHD-UHFFFAOYSA-N 1 2 365.403 3.114 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cnn(C(C)C)c1 ZINC000512531378 503577959 /nfs/dbraw/zinc/57/79/59/503577959.db2.gz GABCOEUMMDYMAV-UHFFFAOYSA-N 1 2 357.502 3.185 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cnn(C(C)C)c1 ZINC000512531378 503577964 /nfs/dbraw/zinc/57/79/64/503577964.db2.gz GABCOEUMMDYMAV-UHFFFAOYSA-N 1 2 357.502 3.185 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000494699746 503594445 /nfs/dbraw/zinc/59/44/45/503594445.db2.gz RRYFLHRIQGGWDK-UXHICEINSA-N 1 2 357.498 3.118 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000509051482 503629777 /nfs/dbraw/zinc/62/97/77/503629777.db2.gz GQJKSGHFYOELHO-UHFFFAOYSA-N 1 2 367.896 3.021 20 30 FGEDLO N#Cc1ccc(N2CCN(c3[nH+]cccc3OCc3ccccc3)CC2)nc1 ZINC000546188257 503663593 /nfs/dbraw/zinc/66/35/93/503663593.db2.gz KSWBSMRMMNPQFK-UHFFFAOYSA-N 1 2 371.444 3.254 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527190529 503712177 /nfs/dbraw/zinc/71/21/77/503712177.db2.gz LKSIGVWAASXMKI-KRWDZBQOSA-N 1 2 363.461 3.208 20 30 FGEDLO C=CCNC(=O)c1cccc(-c2noc(Cn3c(C)[nH+]c4ccccc43)n2)c1 ZINC000546369297 503725837 /nfs/dbraw/zinc/72/58/37/503725837.db2.gz NQAHVUSRJPGJLF-UHFFFAOYSA-N 1 2 373.416 3.359 20 30 FGEDLO CC[N@H+](CC(=O)NCC(=O)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533248218 503776370 /nfs/dbraw/zinc/77/63/70/503776370.db2.gz YQKNEQVEHUPHSZ-AWEZNQCLSA-N 1 2 355.463 3.002 20 30 FGEDLO CC[N@@H+](CC(=O)NCC(=O)c1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533248218 503776374 /nfs/dbraw/zinc/77/63/74/503776374.db2.gz YQKNEQVEHUPHSZ-AWEZNQCLSA-N 1 2 355.463 3.002 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000540470216 503780500 /nfs/dbraw/zinc/78/05/00/503780500.db2.gz LAAOXDNZGQOQKB-UHFFFAOYSA-N 1 2 362.433 3.016 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000543545429 503808751 /nfs/dbraw/zinc/80/87/51/503808751.db2.gz QTZCSSBPIQEQDW-KGLIPLIRSA-N 1 2 367.515 3.092 20 30 FGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C[C@@H](C)C#N ZINC000533402096 503833073 /nfs/dbraw/zinc/83/30/73/503833073.db2.gz WRLWGTBIJWJOOT-OLZOCXBDSA-N 1 2 357.527 3.422 20 30 FGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C[C@@H](C)C#N ZINC000533402096 503833074 /nfs/dbraw/zinc/83/30/74/503833074.db2.gz WRLWGTBIJWJOOT-OLZOCXBDSA-N 1 2 357.527 3.422 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccco2)c1 ZINC000533487490 503863114 /nfs/dbraw/zinc/86/31/14/503863114.db2.gz NCMQDMDTCSKKTN-OAQYLSRUSA-N 1 2 351.450 3.399 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccco2)c1 ZINC000533487490 503863119 /nfs/dbraw/zinc/86/31/19/503863119.db2.gz NCMQDMDTCSKKTN-OAQYLSRUSA-N 1 2 351.450 3.399 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)s1 ZINC000537308426 503875395 /nfs/dbraw/zinc/87/53/95/503875395.db2.gz SGHIERKIVHRCNX-UHFFFAOYSA-N 1 2 368.487 3.296 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533530836 503877168 /nfs/dbraw/zinc/87/71/68/503877168.db2.gz LBIJENDWROHJDW-OAHLLOKOSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533530836 503877173 /nfs/dbraw/zinc/87/71/73/503877173.db2.gz LBIJENDWROHJDW-OAHLLOKOSA-N 1 2 356.491 3.415 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC(CC#N)CC3)c[nH+]2)CC1 ZINC000543773291 503887099 /nfs/dbraw/zinc/88/70/99/503887099.db2.gz HKYPFGIWMXJVMW-UHFFFAOYSA-N 1 2 355.486 3.153 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)OCC ZINC000533702248 503927629 /nfs/dbraw/zinc/92/76/29/503927629.db2.gz AZUYNRZNYYOSRT-GOSISDBHSA-N 1 2 350.890 3.356 20 30 FGEDLO Cc1ccc(-c2noc(COc3ccccc3C#N)n2)c(N2CCCC2)[nH+]1 ZINC000547082033 503977506 /nfs/dbraw/zinc/97/75/06/503977506.db2.gz VPOVLSDXJBCKQH-UHFFFAOYSA-N 1 2 361.405 3.491 20 30 FGEDLO N#CCc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000541338544 504095399 /nfs/dbraw/zinc/09/53/99/504095399.db2.gz IXLMVBCAYQFUOK-GOSISDBHSA-N 1 2 373.378 3.445 20 30 FGEDLO N#CCc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000541338544 504095405 /nfs/dbraw/zinc/09/54/05/504095405.db2.gz IXLMVBCAYQFUOK-GOSISDBHSA-N 1 2 373.378 3.445 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc(C#N)c1 ZINC000531392155 504291656 /nfs/dbraw/zinc/29/16/56/504291656.db2.gz QUWQBMTZPYCDPT-UHFFFAOYSA-N 1 2 362.477 3.261 20 30 FGEDLO Cc1oc(NC(=O)CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c(C#N)c1C ZINC000548022094 504301503 /nfs/dbraw/zinc/30/15/03/504301503.db2.gz GHSLTEQFXUXZFX-QGZVFWFLSA-N 1 2 367.453 3.146 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000538718737 504341102 /nfs/dbraw/zinc/34/11/02/504341102.db2.gz KFQPDSSCPSNUQU-GOSISDBHSA-N 1 2 351.406 3.079 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000538718737 504341109 /nfs/dbraw/zinc/34/11/09/504341109.db2.gz KFQPDSSCPSNUQU-GOSISDBHSA-N 1 2 351.406 3.079 20 30 FGEDLO C[C@@H](C#N)C[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C1CC1 ZINC000538724326 504344527 /nfs/dbraw/zinc/34/45/27/504344527.db2.gz FCCYBMHVFGWGIS-HNNXBMFYSA-N 1 2 366.465 3.372 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C1CC1 ZINC000538724326 504344530 /nfs/dbraw/zinc/34/45/30/504344530.db2.gz FCCYBMHVFGWGIS-HNNXBMFYSA-N 1 2 366.465 3.372 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000535253791 504383727 /nfs/dbraw/zinc/38/37/27/504383727.db2.gz YOFBKEVFRUIQAG-IBGZPJMESA-N 1 2 358.445 3.450 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528839197 504407971 /nfs/dbraw/zinc/40/79/71/504407971.db2.gz FNTJYYBNDISCRX-KRWDZBQOSA-N 1 2 354.841 3.404 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528839197 504407977 /nfs/dbraw/zinc/40/79/77/504407977.db2.gz FNTJYYBNDISCRX-KRWDZBQOSA-N 1 2 354.841 3.404 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000539355781 504540145 /nfs/dbraw/zinc/54/01/45/504540145.db2.gz PYKSFWZVNFAVOU-JXMROGBWSA-N 1 2 363.461 3.118 20 30 FGEDLO Cc1cccc2c1CC[C@@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520614896 504541507 /nfs/dbraw/zinc/54/15/07/504541507.db2.gz BGWYDDJWYMFBAV-QFIPXVFZSA-N 1 2 374.488 3.381 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000542817581 504623093 /nfs/dbraw/zinc/62/30/93/504623093.db2.gz YXHUZUUXNMOFIM-UHFFFAOYSA-N 1 2 353.919 3.086 20 30 FGEDLO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000565547833 504919652 /nfs/dbraw/zinc/91/96/52/504919652.db2.gz DFUYGCCDAKKXSE-UHFFFAOYSA-N 1 2 371.466 3.050 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1cccc(C(=O)OC)c1C#N ZINC000549999086 504949604 /nfs/dbraw/zinc/94/96/04/504949604.db2.gz PEHNNMGBJBNACB-GOSISDBHSA-N 1 2 352.438 3.288 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000553590560 504957668 /nfs/dbraw/zinc/95/76/68/504957668.db2.gz UXSLPAILAJIRAH-UHFFFAOYSA-N 1 2 350.422 3.207 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccc(C)cc1 ZINC000559995960 504965967 /nfs/dbraw/zinc/96/59/67/504965967.db2.gz FFAXBNMUJFHAJP-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccc(C)cc1 ZINC000559995960 504965969 /nfs/dbraw/zinc/96/59/69/504965969.db2.gz FFAXBNMUJFHAJP-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000562864108 504968195 /nfs/dbraw/zinc/96/81/95/504968195.db2.gz ABHVHWSFFLHMGG-QAPCUYQASA-N 1 2 354.454 3.076 20 30 FGEDLO COc1ccccc1/C=C/C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000565747691 504975429 /nfs/dbraw/zinc/97/54/29/504975429.db2.gz PJSKNTHAYNACDR-FNORWQNLSA-N 1 2 354.479 3.167 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000550167598 504983928 /nfs/dbraw/zinc/98/39/28/504983928.db2.gz WDPCYHXYDKLUDW-QUCCMNQESA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000550167598 504983930 /nfs/dbraw/zinc/98/39/30/504983930.db2.gz WDPCYHXYDKLUDW-QUCCMNQESA-N 1 2 373.497 3.221 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1C#N ZINC000550315053 505019917 /nfs/dbraw/zinc/01/99/17/505019917.db2.gz BVFMTVNYSBBMQY-UHFFFAOYSA-N 1 2 368.437 3.231 20 30 FGEDLO Cn1nccc1C1=CC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000553900685 505037099 /nfs/dbraw/zinc/03/70/99/505037099.db2.gz GGEVKTHFHJQRHG-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cn1nccc1C1=CC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000553900685 505037101 /nfs/dbraw/zinc/03/71/01/505037101.db2.gz GGEVKTHFHJQRHG-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO N#Cc1ccc(C(=O)CNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000557109868 505068037 /nfs/dbraw/zinc/06/80/37/505068037.db2.gz KSEQKIVQGBSUAG-UHFFFAOYSA-N 1 2 372.428 3.175 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000563375191 505125964 /nfs/dbraw/zinc/12/59/64/505125964.db2.gz CNAMMADDJLKMBN-CHWSQXEVSA-N 1 2 370.762 3.491 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)ccn1 ZINC000561104939 505251255 /nfs/dbraw/zinc/25/12/55/505251255.db2.gz CXUFSOXFGMHAPO-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000561241345 505290278 /nfs/dbraw/zinc/29/02/78/505290278.db2.gz ROGUJTXKVMMQEO-HXUWFJFHSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000561241345 505290281 /nfs/dbraw/zinc/29/02/81/505290281.db2.gz ROGUJTXKVMMQEO-HXUWFJFHSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000564422354 505415303 /nfs/dbraw/zinc/41/53/03/505415303.db2.gz PIRDOSNNRJPDKU-YSTOQKLRSA-N 1 2 366.465 3.145 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000552448720 505494819 /nfs/dbraw/zinc/49/48/19/505494819.db2.gz WQBJJNBBTYWGOV-UHFFFAOYSA-N 1 2 361.405 3.226 20 30 FGEDLO Cc1csc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000555880665 505531680 /nfs/dbraw/zinc/53/16/80/505531680.db2.gz SONVRSPKXZQMRL-UHFFFAOYSA-N 1 2 365.462 3.150 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnnn1-c1ccccc1 ZINC000562204943 505539247 /nfs/dbraw/zinc/53/92/47/505539247.db2.gz CDWBXMSUYOKEFG-LBPRGKRZSA-N 1 2 372.354 3.404 20 30 FGEDLO Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c(N2CC[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000596493253 506431127 /nfs/dbraw/zinc/43/11/27/506431127.db2.gz JLMPREUVRQRXOB-BDXSIMOUSA-N 1 2 372.513 3.269 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000599392563 506438657 /nfs/dbraw/zinc/43/86/57/506438657.db2.gz WEVJVCLUPBWKDQ-INIZCTEOSA-N 1 2 358.388 3.241 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000599392563 506438658 /nfs/dbraw/zinc/43/86/58/506438658.db2.gz WEVJVCLUPBWKDQ-INIZCTEOSA-N 1 2 358.388 3.241 20 30 FGEDLO Cc1cc(N(C)Cc2ccncc2)c(C#N)c(N(C)Cc2ccncc2)[nH+]1 ZINC000589102826 506440444 /nfs/dbraw/zinc/44/04/44/506440444.db2.gz FDMSGKDDNDRSDE-UHFFFAOYSA-N 1 2 358.449 3.325 20 30 FGEDLO Cc1cccn2cc(Cc3noc([C@@H](C#N)Cc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000589117896 506449130 /nfs/dbraw/zinc/44/91/30/506449130.db2.gz VCKGMKOVXPTQLV-QGZVFWFLSA-N 1 2 368.400 3.338 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161931 506467343 /nfs/dbraw/zinc/46/73/43/506467343.db2.gz HEVQUFGOZKXJJE-LPHOPBHVSA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161931 506467345 /nfs/dbraw/zinc/46/73/45/506467345.db2.gz HEVQUFGOZKXJJE-LPHOPBHVSA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603292035 506478175 /nfs/dbraw/zinc/47/81/75/506478175.db2.gz GUBIUKBRNDUQMM-QGZVFWFLSA-N 1 2 358.449 3.022 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3F)CC2)cc1 ZINC000589252152 506497961 /nfs/dbraw/zinc/49/79/61/506497961.db2.gz ZGUCHKPSSMSAER-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC2(C#N)CCCCC2)cc1 ZINC000596672926 506524727 /nfs/dbraw/zinc/52/47/27/506524727.db2.gz GAFBOVDNROBYQV-FQEVSTJZSA-N 1 2 369.509 3.349 20 30 FGEDLO N#CC1(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCCC1 ZINC000596726267 506562101 /nfs/dbraw/zinc/56/21/01/506562101.db2.gz AXNVAFVOBXHIJI-LJQANCHMSA-N 1 2 355.482 3.040 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000612405566 506567269 /nfs/dbraw/zinc/56/72/69/506567269.db2.gz AHOSHABDIVJEDV-OAQYLSRUSA-N 1 2 366.465 3.374 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000612405566 506567276 /nfs/dbraw/zinc/56/72/76/506567276.db2.gz AHOSHABDIVJEDV-OAQYLSRUSA-N 1 2 366.465 3.374 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)CC3(C#N)CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000596806622 506608478 /nfs/dbraw/zinc/60/84/78/506608478.db2.gz ODERDSIGJCNMBG-CALCHBBNSA-N 1 2 370.497 3.176 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1c(Cl)cccc1Cl ZINC000593459613 506631325 /nfs/dbraw/zinc/63/13/25/506631325.db2.gz XNYSDNACJLUYCR-AWEZNQCLSA-N 1 2 363.248 3.450 20 30 FGEDLO COc1cc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(F)cc1C#N ZINC000599816465 506653355 /nfs/dbraw/zinc/65/33/55/506653355.db2.gz CYHVXLNEHOJDHS-UHFFFAOYSA-N 1 2 372.400 3.390 20 30 FGEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000593569506 506688587 /nfs/dbraw/zinc/68/85/87/506688587.db2.gz YNBDQHBHCXYTGL-UHFFFAOYSA-N 1 2 372.476 3.078 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000608842455 506725409 /nfs/dbraw/zinc/72/54/09/506725409.db2.gz JEEJWNRDXIAOSV-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000608842455 506725418 /nfs/dbraw/zinc/72/54/18/506725418.db2.gz JEEJWNRDXIAOSV-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000609484478 506896602 /nfs/dbraw/zinc/89/66/02/506896602.db2.gz KVDYJFCYBKHLAV-QFIPXVFZSA-N 1 2 363.509 3.027 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057717 506912544 /nfs/dbraw/zinc/91/25/44/506912544.db2.gz LWTDJQCVIJIVEJ-LPHOPBHVSA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057717 506912547 /nfs/dbraw/zinc/91/25/47/506912547.db2.gz LWTDJQCVIJIVEJ-LPHOPBHVSA-N 1 2 353.466 3.087 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)cc2)nc1 ZINC000609550816 506919854 /nfs/dbraw/zinc/91/98/54/506919854.db2.gz AIYAIRXCEIWJHP-UHFFFAOYSA-N 1 2 372.384 3.044 20 30 FGEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000609564182 506924217 /nfs/dbraw/zinc/92/42/17/506924217.db2.gz RCBFCBMEHMFHRQ-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)C(C)C ZINC000604802024 506949277 /nfs/dbraw/zinc/94/92/77/506949277.db2.gz ZCXXDOMEKIJOBZ-AWEZNQCLSA-N 1 2 365.547 3.078 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)CC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793247 507004247 /nfs/dbraw/zinc/00/42/47/507004247.db2.gz APPBMFXOGYRNJH-QGZVFWFLSA-N 1 2 374.504 3.125 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)c4ccccc4n3)c[nH+]2)C[C@@H](C)O1 ZINC000609891738 507040005 /nfs/dbraw/zinc/04/00/05/507040005.db2.gz IILKETXHCQVSIA-HZPDHXFCSA-N 1 2 373.460 3.149 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000594293196 507065862 /nfs/dbraw/zinc/06/58/62/507065862.db2.gz GPTSZBQHMGDLNO-QZTJIDSGSA-N 1 2 362.477 3.037 20 30 FGEDLO N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000610026568 507077202 /nfs/dbraw/zinc/07/72/02/507077202.db2.gz NFXHZHGDARAAKA-UHFFFAOYSA-N 1 2 361.405 3.281 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1 ZINC000591215983 507158228 /nfs/dbraw/zinc/15/82/28/507158228.db2.gz KAKUYTKYGJJCEN-NLWGTHIKSA-N 1 2 365.864 3.488 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC2)c1 ZINC000597944468 507191480 /nfs/dbraw/zinc/19/14/80/507191480.db2.gz UODKYFAGTDFOIE-UHFFFAOYSA-N 1 2 364.424 3.041 20 30 FGEDLO Cc1cccn2cc(CCNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)[nH+]c12 ZINC000610468894 507251340 /nfs/dbraw/zinc/25/13/40/507251340.db2.gz RPVKJEZUEUVFDO-UHFFFAOYSA-N 1 2 372.388 3.047 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000610504352 507268492 /nfs/dbraw/zinc/26/84/92/507268492.db2.gz WLNHOGVBKZFGGK-SFHVURJKSA-N 1 2 352.413 3.372 20 30 FGEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC2(CC2)C1 ZINC000601149603 507278128 /nfs/dbraw/zinc/27/81/28/507278128.db2.gz NIZKPNVXNCOFMV-AWEZNQCLSA-N 1 2 359.420 3.129 20 30 FGEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC2(CC2)C1 ZINC000601149603 507278130 /nfs/dbraw/zinc/27/81/30/507278130.db2.gz NIZKPNVXNCOFMV-AWEZNQCLSA-N 1 2 359.420 3.129 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594779368 507278795 /nfs/dbraw/zinc/27/87/95/507278795.db2.gz QJIVWONKBYGDLE-GFCCVEGCSA-N 1 2 374.491 3.337 20 30 FGEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000601182338 507289250 /nfs/dbraw/zinc/28/92/50/507289250.db2.gz VCXOHALIIFOOCG-QGZVFWFLSA-N 1 2 373.254 3.069 20 30 FGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601240454 507306685 /nfs/dbraw/zinc/30/66/85/507306685.db2.gz IIKLKQMDKZXNCH-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000610701422 507355305 /nfs/dbraw/zinc/35/53/05/507355305.db2.gz AYJASHQUIKTTBG-UHFFFAOYSA-N 1 2 365.824 3.126 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000598648213 507532962 /nfs/dbraw/zinc/53/29/62/507532962.db2.gz IEUTWPXAEXIPHT-OAHLLOKOSA-N 1 2 352.438 3.038 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000598648213 507532967 /nfs/dbraw/zinc/53/29/67/507532967.db2.gz IEUTWPXAEXIPHT-OAHLLOKOSA-N 1 2 352.438 3.038 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cn21 ZINC000592252345 507562796 /nfs/dbraw/zinc/56/27/96/507562796.db2.gz ALGYZGUSEKSOGU-UHFFFAOYSA-N 1 2 364.453 3.435 20 30 FGEDLO CC(C)C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000602064286 507575705 /nfs/dbraw/zinc/57/57/05/507575705.db2.gz INADHWAYKHJDGJ-FQEVSTJZSA-N 1 2 365.481 3.081 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1c[nH+]c[nH]1 ZINC000595594550 507581395 /nfs/dbraw/zinc/58/13/95/507581395.db2.gz MSMZHQDLNHZLSI-LBPRGKRZSA-N 1 2 357.483 3.071 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1c[nH]c[nH+]1 ZINC000595594550 507581400 /nfs/dbraw/zinc/58/14/00/507581400.db2.gz MSMZHQDLNHZLSI-LBPRGKRZSA-N 1 2 357.483 3.071 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3cccnc3)CC2)c(C#N)c1C ZINC000611258456 507585421 /nfs/dbraw/zinc/58/54/21/507585421.db2.gz QLVVRMJTWWFLFW-AWEZNQCLSA-N 1 2 352.438 3.370 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)sc2c1 ZINC000595615714 507593479 /nfs/dbraw/zinc/59/34/79/507593479.db2.gz NFVQJPRMHOYBDO-CYBMUJFWSA-N 1 2 358.467 3.259 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)sc2c1 ZINC000595615714 507593483 /nfs/dbraw/zinc/59/34/83/507593483.db2.gz NFVQJPRMHOYBDO-CYBMUJFWSA-N 1 2 358.467 3.259 20 30 FGEDLO COCCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000595637355 507606799 /nfs/dbraw/zinc/60/67/99/507606799.db2.gz YUBJDUJBRCHMRT-UHFFFAOYSA-N 1 2 372.494 3.039 20 30 FGEDLO N#CCSCCC[N@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595747379 507662559 /nfs/dbraw/zinc/66/25/59/507662559.db2.gz CTRMRGSDQVWTPS-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595747379 507662563 /nfs/dbraw/zinc/66/25/63/507662563.db2.gz CTRMRGSDQVWTPS-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595770984 507677314 /nfs/dbraw/zinc/67/73/14/507677314.db2.gz YHGFBUYFHAHJBU-IRLDBZIGSA-N 1 2 364.445 3.445 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595770984 507677320 /nfs/dbraw/zinc/67/73/20/507677320.db2.gz YHGFBUYFHAHJBU-IRLDBZIGSA-N 1 2 364.445 3.445 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587066628 507705459 /nfs/dbraw/zinc/70/54/59/507705459.db2.gz USUBJEYFTFWTRH-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595833591 507707106 /nfs/dbraw/zinc/70/71/06/507707106.db2.gz DWCCQECTCDTTMQ-NRFANRHFSA-N 1 2 351.450 3.042 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595833591 507707113 /nfs/dbraw/zinc/70/71/13/507707113.db2.gz DWCCQECTCDTTMQ-NRFANRHFSA-N 1 2 351.450 3.042 20 30 FGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595838887 507708342 /nfs/dbraw/zinc/70/83/42/507708342.db2.gz ASWYGQPAMIXYNV-PZJWPPBQSA-N 1 2 355.482 3.374 20 30 FGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595838887 507708352 /nfs/dbraw/zinc/70/83/52/507708352.db2.gz ASWYGQPAMIXYNV-PZJWPPBQSA-N 1 2 355.482 3.374 20 30 FGEDLO CC(C)(C)c1nnc2n1CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000595892825 507729649 /nfs/dbraw/zinc/72/96/49/507729649.db2.gz OEIYETYBNAAQFD-UHFFFAOYSA-N 1 2 361.396 3.064 20 30 FGEDLO CC(C)(C)c1nnc2n1CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000595892825 507729653 /nfs/dbraw/zinc/72/96/53/507729653.db2.gz OEIYETYBNAAQFD-UHFFFAOYSA-N 1 2 361.396 3.064 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553396 507735244 /nfs/dbraw/zinc/73/52/44/507735244.db2.gz YVNGUQBMMPUJLK-FQEVSTJZSA-N 1 2 364.424 3.088 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1C#N ZINC000611553332 507735491 /nfs/dbraw/zinc/73/54/91/507735491.db2.gz WYMIYXNMURINNK-FQEVSTJZSA-N 1 2 364.424 3.088 20 30 FGEDLO NC(Cc1cccnc1)=[NH+]OCCCOc1cccc(C(F)(F)F)c1 ZINC000092915462 700443892 /nfs/dbraw/zinc/44/38/92/700443892.db2.gz PTBMLHPOXXZWDP-UHFFFAOYSA-N 1 2 353.344 3.401 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000113249249 700569868 /nfs/dbraw/zinc/56/98/68/700569868.db2.gz LLCIZZDAZLOMHG-SNVBAGLBSA-N 1 2 367.783 3.477 20 30 FGEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000119517513 700631637 /nfs/dbraw/zinc/63/16/37/700631637.db2.gz DJRQLKWZZYNIRC-LBPRGKRZSA-N 1 2 358.305 3.045 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125580201 700737260 /nfs/dbraw/zinc/73/72/60/700737260.db2.gz AOQRYUGSNKKQAP-GJZGRUSLSA-N 1 2 352.910 3.329 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125580201 700737262 /nfs/dbraw/zinc/73/72/62/700737262.db2.gz AOQRYUGSNKKQAP-GJZGRUSLSA-N 1 2 352.910 3.329 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000133476336 700838336 /nfs/dbraw/zinc/83/83/36/700838336.db2.gz MMVMUBLCGLPKLZ-ZDUSSCGKSA-N 1 2 355.276 3.489 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000133476336 700838338 /nfs/dbraw/zinc/83/83/38/700838338.db2.gz MMVMUBLCGLPKLZ-ZDUSSCGKSA-N 1 2 355.276 3.489 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c(F)c1 ZINC000174776606 705519067 /nfs/dbraw/zinc/51/90/67/705519067.db2.gz AGNICBCWJLNEBG-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176094370 705571846 /nfs/dbraw/zinc/57/18/46/705571846.db2.gz JNQVENZOJCCZAS-KRWDZBQOSA-N 1 2 358.511 3.117 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176094370 705571853 /nfs/dbraw/zinc/57/18/53/705571853.db2.gz JNQVENZOJCCZAS-KRWDZBQOSA-N 1 2 358.511 3.117 20 30 FGEDLO N#CCOc1ccccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000194100333 713510140 /nfs/dbraw/zinc/51/01/40/713510140.db2.gz RNQAKXRMINHPDF-UHFFFAOYSA-N 1 2 356.451 3.284 20 30 FGEDLO CC[C@@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329300091 713828801 /nfs/dbraw/zinc/82/88/01/713828801.db2.gz MGRTTYRBQBVBIS-UKRRQHHQSA-N 1 2 352.504 3.031 20 30 FGEDLO CC[C@@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329300091 713828805 /nfs/dbraw/zinc/82/88/05/713828805.db2.gz MGRTTYRBQBVBIS-UKRRQHHQSA-N 1 2 352.504 3.031 20 30 FGEDLO N#CCSc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000374389899 713918921 /nfs/dbraw/zinc/91/89/21/713918921.db2.gz TYEPHMGWBYEGHE-SFHVURJKSA-N 1 2 355.438 3.228 20 30 FGEDLO N#CCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000426414436 714018481 /nfs/dbraw/zinc/01/84/81/714018481.db2.gz WUCOHOKEYYOJPF-UHFFFAOYSA-N 1 2 363.824 3.191 20 30 FGEDLO C=C[C@H](N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809820 714872318 /nfs/dbraw/zinc/87/23/18/714872318.db2.gz KMBIIOBJEQCZCX-YESZJQIVSA-N 1 2 354.853 3.320 20 30 FGEDLO C=C[C@H](N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809820 714872321 /nfs/dbraw/zinc/87/23/21/714872321.db2.gz KMBIIOBJEQCZCX-YESZJQIVSA-N 1 2 354.853 3.320 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)nn1 ZINC000623799221 715405593 /nfs/dbraw/zinc/40/55/93/715405593.db2.gz SGUKFQVIRYIYGW-MRXNPFEDSA-N 1 2 355.269 3.374 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000779147878 724395526 /nfs/dbraw/zinc/39/55/26/724395526.db2.gz OVCPKQDJQJJNLV-UHFFFAOYSA-N 1 2 356.853 3.344 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000779147878 724395531 /nfs/dbraw/zinc/39/55/31/724395531.db2.gz OVCPKQDJQJJNLV-UHFFFAOYSA-N 1 2 356.853 3.344 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626027877 715831631 /nfs/dbraw/zinc/83/16/31/715831631.db2.gz NOCPSBKJVFSPIJ-HNNXBMFYSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000626027877 715831637 /nfs/dbraw/zinc/83/16/37/715831637.db2.gz NOCPSBKJVFSPIJ-HNNXBMFYSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)nn1 ZINC000653661990 719072797 /nfs/dbraw/zinc/07/27/97/719072797.db2.gz MOMLLNJVJAEBNV-OAHLLOKOSA-N 1 2 363.259 3.230 20 30 FGEDLO C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000657036187 719549182 /nfs/dbraw/zinc/54/91/82/719549182.db2.gz AVXMOTDKJHUHPL-SJLPKXTDSA-N 1 2 359.495 3.345 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782515071 724677389 /nfs/dbraw/zinc/67/73/89/724677389.db2.gz BPZDVVRUUZLNEA-HIFRSBDPSA-N 1 2 361.795 3.291 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782515071 724677392 /nfs/dbraw/zinc/67/73/92/724677392.db2.gz BPZDVVRUUZLNEA-HIFRSBDPSA-N 1 2 361.795 3.291 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)cc(F)c1O ZINC000783300407 724745882 /nfs/dbraw/zinc/74/58/82/724745882.db2.gz LUPCTHXNXMAELM-VIFPVBQESA-N 1 2 350.191 3.411 20 30 FGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)NC(=O)CO2 ZINC000783702358 724779848 /nfs/dbraw/zinc/77/98/48/724779848.db2.gz WUUIDYGVFNKZNL-NSCUHMNNSA-N 1 2 351.387 3.161 20 30 FGEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679499054 722030686 /nfs/dbraw/zinc/03/06/86/722030686.db2.gz WQVSBYGFGSYGJB-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679499054 722030687 /nfs/dbraw/zinc/03/06/87/722030687.db2.gz WQVSBYGFGSYGJB-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO Cc1[nH+]cc(CN=Nc2cccnn2)n1-c1ccc(Br)cc1 ZINC000735973720 722520838 /nfs/dbraw/zinc/52/08/38/722520838.db2.gz ROEGJLNNVXNZST-UHFFFAOYSA-N 1 2 357.215 3.179 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000757066204 722973949 /nfs/dbraw/zinc/97/39/49/722973949.db2.gz ZFGFGNOOAQEENC-LJQANCHMSA-N 1 2 353.491 3.340 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000757573796 722977122 /nfs/dbraw/zinc/97/71/22/722977122.db2.gz FMCLDWJYGYYHTF-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000757573796 722977123 /nfs/dbraw/zinc/97/71/23/722977123.db2.gz FMCLDWJYGYYHTF-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C=C(Br)C[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000759018921 722998102 /nfs/dbraw/zinc/99/81/02/722998102.db2.gz JSOCTIVGODXADA-UHFFFAOYSA-N 1 2 355.276 3.125 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000759018921 722998103 /nfs/dbraw/zinc/99/81/03/722998103.db2.gz JSOCTIVGODXADA-UHFFFAOYSA-N 1 2 355.276 3.125 20 30 FGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000769962787 723702004 /nfs/dbraw/zinc/70/20/04/723702004.db2.gz KURDGIJPYXPVSR-DZGCQCFKSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000769962787 723702005 /nfs/dbraw/zinc/70/20/05/723702005.db2.gz KURDGIJPYXPVSR-DZGCQCFKSA-N 1 2 357.504 3.441 20 30 FGEDLO C=C(Cl)CNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799371790 724020893 /nfs/dbraw/zinc/02/08/93/724020893.db2.gz LIKYGFAFWHRPMI-OAHLLOKOSA-N 1 2 351.878 3.054 20 30 FGEDLO C=C(Cl)CNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799371790 724020898 /nfs/dbraw/zinc/02/08/98/724020898.db2.gz LIKYGFAFWHRPMI-OAHLLOKOSA-N 1 2 351.878 3.054 20 30 FGEDLO N#Cc1ccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)nc1 ZINC000799958035 724118111 /nfs/dbraw/zinc/11/81/11/724118111.db2.gz MXUKRHJPNHNHAG-UHFFFAOYSA-N 1 2 357.186 3.437 20 30 FGEDLO c1cn(-c2csc(CN=Nc3nnc(-c4ccccn4)s3)c2)c[nH+]1 ZINC000788024279 725041960 /nfs/dbraw/zinc/04/19/60/725041960.db2.gz LYJJMUAYZVSNET-UHFFFAOYSA-N 1 2 353.436 3.293 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746942 725090741 /nfs/dbraw/zinc/09/07/41/725090741.db2.gz NXZMEUNYHGTVGT-UXHICEINSA-N 1 2 356.853 3.189 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746942 725090744 /nfs/dbraw/zinc/09/07/44/725090744.db2.gz NXZMEUNYHGTVGT-UXHICEINSA-N 1 2 356.853 3.189 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000789332680 725122640 /nfs/dbraw/zinc/12/26/40/725122640.db2.gz VVEDDMCLCKMJLO-UHFFFAOYSA-N 1 2 351.372 3.480 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000789332680 725122642 /nfs/dbraw/zinc/12/26/42/725122642.db2.gz VVEDDMCLCKMJLO-UHFFFAOYSA-N 1 2 351.372 3.480 20 30 FGEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N)cc1Cl ZINC000812231181 725391325 /nfs/dbraw/zinc/39/13/25/725391325.db2.gz KQRWJSFYMLELGR-UHFFFAOYSA-N 1 2 366.874 3.009 20 30 FGEDLO Cc1nc(C#N)c(N[NH2+]C=C(CC(F)(F)F)NC(=O)OC(C)(C)C)o1 ZINC000814814169 727003372 /nfs/dbraw/zinc/00/33/72/727003372.db2.gz ZTOWJBZQSVBFPT-SECBINFHSA-N 1 2 361.324 3.098 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)c1=O ZINC000817361550 727243420 /nfs/dbraw/zinc/24/34/20/727243420.db2.gz GEZYMYSHYYHRJR-MRXNPFEDSA-N 1 2 372.266 3.147 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c1=O ZINC000817361550 727243421 /nfs/dbraw/zinc/24/34/21/727243421.db2.gz GEZYMYSHYYHRJR-MRXNPFEDSA-N 1 2 372.266 3.147 20 30 FGEDLO Cc1cc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Cl ZINC000825510231 729386091 /nfs/dbraw/zinc/38/60/91/729386091.db2.gz XVHSBHRUJIBCGE-DZGCQCFKSA-N 1 2 365.861 3.203 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000842630056 730522111 /nfs/dbraw/zinc/52/21/11/730522111.db2.gz WJTYMFZNSWVHAI-INIZCTEOSA-N 1 2 359.543 3.432 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000842630056 730522112 /nfs/dbraw/zinc/52/21/12/730522112.db2.gz WJTYMFZNSWVHAI-INIZCTEOSA-N 1 2 359.543 3.432 20 30 FGEDLO CCCOc1ccc(Br)cc1C=NNCCCn1cc[nH+]c1 ZINC000848419263 731162294 /nfs/dbraw/zinc/16/22/94/731162294.db2.gz SFEZHRZKEJLJPH-UHFFFAOYSA-N 1 2 365.275 3.448 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000852343499 731572987 /nfs/dbraw/zinc/57/29/87/731572987.db2.gz YBZDAJVJTPHBPD-INIZCTEOSA-N 1 2 365.861 3.268 20 30 FGEDLO CC1(CCCCO[NH+]=C(N)c2ccc(Br)cc2)OCCO1 ZINC000853684460 731741862 /nfs/dbraw/zinc/74/18/62/731741862.db2.gz CKARLULNGMMWAX-UHFFFAOYSA-N 1 2 357.248 3.019 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985758 732174404 /nfs/dbraw/zinc/17/44/04/732174404.db2.gz IWQKPSGYBWQZHI-CYBMUJFWSA-N 1 2 351.328 3.342 20 30 FGEDLO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cccc(C#N)c1O ZINC000866216622 733325380 /nfs/dbraw/zinc/32/53/80/733325380.db2.gz IAUDOOYCGZJCJQ-YOEHRIQHSA-N 1 2 357.479 3.049 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876641512 736125622 /nfs/dbraw/zinc/12/56/22/736125622.db2.gz KMKKBXYKZNICAJ-CYBMUJFWSA-N 1 2 364.877 3.343 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876641512 736125624 /nfs/dbraw/zinc/12/56/24/736125624.db2.gz KMKKBXYKZNICAJ-CYBMUJFWSA-N 1 2 364.877 3.343 20 30 FGEDLO C#CCC1(O)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000882969338 737507478 /nfs/dbraw/zinc/50/74/78/737507478.db2.gz RRYGCNGLTKXJMS-UHFFFAOYSA-N 1 2 363.230 3.491 20 30 FGEDLO Cc1csc(C[C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000886693596 739285767 /nfs/dbraw/zinc/28/57/67/739285767.db2.gz FBVJDCCIUPGEQR-CYBMUJFWSA-N 1 2 360.508 3.278 20 30 FGEDLO Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000886693596 739285771 /nfs/dbraw/zinc/28/57/71/739285771.db2.gz FBVJDCCIUPGEQR-CYBMUJFWSA-N 1 2 360.508 3.278 20 30 FGEDLO CN(Cc1cc(C#N)cs1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000887972119 739452752 /nfs/dbraw/zinc/45/27/52/739452752.db2.gz KAFAXRWXXFUPRX-GOSISDBHSA-N 1 2 371.531 3.368 20 30 FGEDLO COC(=O)c1oc(C[NH2+]Cc2cc(C#N)ccc2Br)cc1C ZINC000895759817 742451753 /nfs/dbraw/zinc/45/17/53/742451753.db2.gz KZKGRJGRERWYHP-UHFFFAOYSA-N 1 2 363.211 3.299 20 30 FGEDLO C/C(=C/C(=O)Nc1ccccc1SC[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000900631238 743140244 /nfs/dbraw/zinc/14/02/44/743140244.db2.gz YUJBVPJOBYKHLX-UVQBRAAOSA-N 1 2 359.495 3.155 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cn(C(C)C)nn3)c[nH+]c12 ZINC000901525352 743297848 /nfs/dbraw/zinc/29/78/48/743297848.db2.gz KMPYXOVXKDCMDZ-SNAWJCMRSA-N 1 2 374.242 3.474 20 30 FGEDLO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1cc(C#N)ccn1 ZINC000902947448 743791744 /nfs/dbraw/zinc/79/17/44/743791744.db2.gz IIIPZPIMGMXGLY-LRDDRELGSA-N 1 2 360.255 3.490 20 30 FGEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000948933123 762357204 /nfs/dbraw/zinc/35/72/04/762357204.db2.gz VRDTVXBAQVZGKK-XUVXKRRUSA-N 1 2 350.487 3.200 20 30 FGEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000948933123 762357211 /nfs/dbraw/zinc/35/72/11/762357211.db2.gz VRDTVXBAQVZGKK-XUVXKRRUSA-N 1 2 350.487 3.200 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000950593494 762442436 /nfs/dbraw/zinc/44/24/36/762442436.db2.gz DIJRPYAUMTYJLN-QRQLOZEOSA-N 1 2 360.885 3.063 20 30 FGEDLO C[C@@H]1CN(c2ccccc2C=[NH+]NC(=S)NC2CCCCC2)CCO1 ZINC000915943164 758008284 /nfs/dbraw/zinc/00/82/84/758008284.db2.gz VTGLTVXFMBFJTK-OAHLLOKOSA-N 1 2 360.527 3.042 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000917065771 758173240 /nfs/dbraw/zinc/17/32/40/758173240.db2.gz OBLUWTVQIFVLPX-UHFFFAOYSA-N 1 2 356.809 3.121 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000917065771 758173245 /nfs/dbraw/zinc/17/32/45/758173245.db2.gz OBLUWTVQIFVLPX-UHFFFAOYSA-N 1 2 356.809 3.121 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(Br)cc2)cc1 ZINC000917402123 758217092 /nfs/dbraw/zinc/21/70/92/758217092.db2.gz YEFDLLMNORCWDO-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO N#Cc1ccc(Br)c(CNc2ccc[nH+]c2N2CCOCC2)c1 ZINC000921928617 758821250 /nfs/dbraw/zinc/82/12/50/758821250.db2.gz WXOZHIKMJZZJQV-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911630 761001615 /nfs/dbraw/zinc/00/16/15/761001615.db2.gz ZGXVHMAQOWYGKS-NSHDSACASA-N 1 2 364.305 3.154 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911630 761001628 /nfs/dbraw/zinc/00/16/28/761001628.db2.gz ZGXVHMAQOWYGKS-NSHDSACASA-N 1 2 364.305 3.154 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073959 761044987 /nfs/dbraw/zinc/04/49/87/761044987.db2.gz ZPOIWYKBTPZTRX-JKSUJKDBSA-N 1 2 356.413 3.407 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073959 761044998 /nfs/dbraw/zinc/04/49/98/761044998.db2.gz ZPOIWYKBTPZTRX-JKSUJKDBSA-N 1 2 356.413 3.407 20 30 FGEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970554571 762877647 /nfs/dbraw/zinc/87/76/47/762877647.db2.gz MPHAPAUVYYRCEE-MDASCCDHSA-N 1 2 356.897 3.174 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C(C)(C)C1 ZINC000977283047 763351971 /nfs/dbraw/zinc/35/19/71/763351971.db2.gz DLVJSNQSZJIZDD-RCCFBDPRSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C(C)(C)C1 ZINC000977283047 763351984 /nfs/dbraw/zinc/35/19/84/763351984.db2.gz DLVJSNQSZJIZDD-RCCFBDPRSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001008559071 765675938 /nfs/dbraw/zinc/67/59/38/765675938.db2.gz MYXXUOULAROKGY-YUELXQCFSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001008559071 765675942 /nfs/dbraw/zinc/67/59/42/765675942.db2.gz MYXXUOULAROKGY-YUELXQCFSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015829037 765812430 /nfs/dbraw/zinc/81/24/30/765812430.db2.gz OCPKRBUPENTYJH-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015829037 765812439 /nfs/dbraw/zinc/81/24/39/765812439.db2.gz OCPKRBUPENTYJH-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001033295227 766213979 /nfs/dbraw/zinc/21/39/79/766213979.db2.gz RZITZUGUFSWZMK-VNQPRFMTSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001033295227 766213986 /nfs/dbraw/zinc/21/39/86/766213986.db2.gz RZITZUGUFSWZMK-VNQPRFMTSA-N 1 2 354.828 3.354 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccsc2)s1 ZINC001038412153 766275320 /nfs/dbraw/zinc/27/53/20/766275320.db2.gz UJJFHJZLIISODV-RRQGHBQHSA-N 1 2 357.504 3.175 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2ccsc2)s1 ZINC001038412153 766275326 /nfs/dbraw/zinc/27/53/26/766275326.db2.gz UJJFHJZLIISODV-RRQGHBQHSA-N 1 2 357.504 3.175 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000302121337 257384379 /nfs/dbraw/zinc/38/43/79/257384379.db2.gz UKLCUBNGWWURLS-GJZGRUSLSA-N 1 2 364.449 3.382 20 30 FGEDLO Cc1cc(N2CCN(Cc3cc(C#N)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000022134655 132373944 /nfs/dbraw/zinc/37/39/44/132373944.db2.gz RXAMLXCZDFDQEU-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC(=O)C3)CC2)cc1 ZINC000570994054 505628100 /nfs/dbraw/zinc/62/81/00/505628100.db2.gz KOQQXJFSYOXMMS-HXUWFJFHSA-N 1 2 367.493 3.132 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCCC(=O)C3)CC2)cc1 ZINC000570994054 505628101 /nfs/dbraw/zinc/62/81/01/505628101.db2.gz KOQQXJFSYOXMMS-HXUWFJFHSA-N 1 2 367.493 3.132 20 30 FGEDLO N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C1)CCOC2 ZINC000577058297 505654360 /nfs/dbraw/zinc/65/43/60/505654360.db2.gz GVQJLDDZISLZCN-RHSMWYFYSA-N 1 2 373.460 3.462 20 30 FGEDLO Cc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1C#N ZINC000028931638 493808464 /nfs/dbraw/zinc/80/84/64/493808464.db2.gz QJPXCSOGLFKZOB-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1C#N ZINC000028931638 493808468 /nfs/dbraw/zinc/80/84/68/493808468.db2.gz QJPXCSOGLFKZOB-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO C=CCOc1cccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000076035575 493811699 /nfs/dbraw/zinc/81/16/99/493811699.db2.gz ADLBYAMRPMDMKE-UHFFFAOYSA-N 1 2 354.332 3.332 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000580136195 505684389 /nfs/dbraw/zinc/68/43/89/505684389.db2.gz MEYMRHHBXLOUBF-GFCCVEGCSA-N 1 2 362.417 3.222 20 30 FGEDLO Cc1c(F)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000081109627 493834209 /nfs/dbraw/zinc/83/42/09/493834209.db2.gz PUNVUUVQELRDMD-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000580136195 505684386 /nfs/dbraw/zinc/68/43/86/505684386.db2.gz MEYMRHHBXLOUBF-GFCCVEGCSA-N 1 2 362.417 3.222 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000060480696 493938395 /nfs/dbraw/zinc/93/83/95/493938395.db2.gz NSARLTOTRWGVRS-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000051905079 493993188 /nfs/dbraw/zinc/99/31/88/493993188.db2.gz DHBJJKYBWYELTP-NRFANRHFSA-N 1 2 365.452 3.215 20 30 FGEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000051905079 493993193 /nfs/dbraw/zinc/99/31/93/493993193.db2.gz DHBJJKYBWYELTP-NRFANRHFSA-N 1 2 365.452 3.215 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000069978985 494033197 /nfs/dbraw/zinc/03/31/97/494033197.db2.gz OQHJVIMDVDUEEV-LJQANCHMSA-N 1 2 351.475 3.481 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063754370 494084539 /nfs/dbraw/zinc/08/45/39/494084539.db2.gz VTPVBEPBUYEKGT-UHFFFAOYSA-N 1 2 355.394 3.124 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063754370 494084544 /nfs/dbraw/zinc/08/45/44/494084544.db2.gz VTPVBEPBUYEKGT-UHFFFAOYSA-N 1 2 355.394 3.124 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000064483398 494128164 /nfs/dbraw/zinc/12/81/64/494128164.db2.gz LWWACEPZNDKEGQ-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000064483398 494128166 /nfs/dbraw/zinc/12/81/66/494128166.db2.gz LWWACEPZNDKEGQ-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)Nc1cccc(C#N)c1)c1[nH+]ccn1C ZINC000054009250 494185073 /nfs/dbraw/zinc/18/50/73/494185073.db2.gz SIWFUBMOSSSUNL-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000042379252 494220735 /nfs/dbraw/zinc/22/07/35/494220735.db2.gz CKFJVCHCCQGUOS-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO CCc1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000078088623 494228436 /nfs/dbraw/zinc/22/84/36/494228436.db2.gz MWONHGQOHYLBIH-KRWDZBQOSA-N 1 2 355.463 3.022 20 30 FGEDLO CCc1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000078088623 494228438 /nfs/dbraw/zinc/22/84/38/494228438.db2.gz MWONHGQOHYLBIH-KRWDZBQOSA-N 1 2 355.463 3.022 20 30 FGEDLO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043279873 494283250 /nfs/dbraw/zinc/28/32/50/494283250.db2.gz ICONYWFCBQBCQW-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000066177084 494283549 /nfs/dbraw/zinc/28/35/49/494283549.db2.gz JUKZLZYFADGOGS-UHFFFAOYSA-N 1 2 361.449 3.369 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089642332 494337295 /nfs/dbraw/zinc/33/72/95/494337295.db2.gz BQWAAFZCLLWRQE-UHFFFAOYSA-N 1 2 366.446 3.432 20 30 FGEDLO COc1cccc([C@@H](NC(=O)Nc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000045029398 494392446 /nfs/dbraw/zinc/39/24/46/494392446.db2.gz RGNXUZAEUPOITR-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)[nH+]1 ZINC000018338137 494431608 /nfs/dbraw/zinc/43/16/08/494431608.db2.gz ONZWTNMIJCWFDM-UHFFFAOYSA-N 1 2 361.858 3.060 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000018939770 494433516 /nfs/dbraw/zinc/43/35/16/494433516.db2.gz PNFHCCGCNMIJPO-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000018939770 494433519 /nfs/dbraw/zinc/43/35/19/494433519.db2.gz PNFHCCGCNMIJPO-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1 ZINC000019540477 494448612 /nfs/dbraw/zinc/44/86/12/494448612.db2.gz IOFILQFQCIRNJP-UHFFFAOYSA-N 1 2 361.423 3.292 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1 ZINC000019540477 494448616 /nfs/dbraw/zinc/44/86/16/494448616.db2.gz IOFILQFQCIRNJP-UHFFFAOYSA-N 1 2 361.423 3.292 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000045878117 494472485 /nfs/dbraw/zinc/47/24/85/494472485.db2.gz LXHXNOLBEHPKPN-UHFFFAOYSA-N 1 2 363.465 3.285 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079619844 494494887 /nfs/dbraw/zinc/49/48/87/494494887.db2.gz AOUWKDFURXMQOK-UHFFFAOYSA-N 1 2 368.481 3.168 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1C#N ZINC000091073478 494524343 /nfs/dbraw/zinc/52/43/43/494524343.db2.gz ZDBLKWPNFQNECC-QFIPXVFZSA-N 1 2 358.445 3.144 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1C#N ZINC000091073478 494524345 /nfs/dbraw/zinc/52/43/45/494524345.db2.gz ZDBLKWPNFQNECC-QFIPXVFZSA-N 1 2 358.445 3.144 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000091101307 494534478 /nfs/dbraw/zinc/53/44/78/494534478.db2.gz UXRCFWRPLIDTGI-GOSISDBHSA-N 1 2 356.429 3.301 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000024053922 494600773 /nfs/dbraw/zinc/60/07/73/494600773.db2.gz BFEWACPLNOYXOR-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361357 494604685 /nfs/dbraw/zinc/60/46/85/494604685.db2.gz VPLUWTDXODZXRC-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361357 494604692 /nfs/dbraw/zinc/60/46/92/494604692.db2.gz VPLUWTDXODZXRC-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361275 494605706 /nfs/dbraw/zinc/60/57/06/494605706.db2.gz BLKVDSIIKSCSML-GFCCVEGCSA-N 1 2 351.365 3.020 20 30 FGEDLO C=CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361275 494605713 /nfs/dbraw/zinc/60/57/13/494605713.db2.gz BLKVDSIIKSCSML-GFCCVEGCSA-N 1 2 351.365 3.020 20 30 FGEDLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1ccc(C#N)cc1 ZINC000115762024 494614656 /nfs/dbraw/zinc/61/46/56/494614656.db2.gz JLNKNWDFWBKYCN-UGSOOPFHSA-N 1 2 372.419 3.500 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000126185193 494665720 /nfs/dbraw/zinc/66/57/20/494665720.db2.gz YKZHHAINUJQPLL-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000126185193 494665730 /nfs/dbraw/zinc/66/57/30/494665730.db2.gz YKZHHAINUJQPLL-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=C[C@@H](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000126266828 494690305 /nfs/dbraw/zinc/69/03/05/494690305.db2.gz QFQPWHZTTHQYJI-IBGZPJMESA-N 1 2 374.488 3.338 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000047417622 494702599 /nfs/dbraw/zinc/70/25/99/494702599.db2.gz NRPJZYYHLXUTTM-MRXNPFEDSA-N 1 2 364.449 3.027 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)ccc1F ZINC000121458169 494765286 /nfs/dbraw/zinc/76/52/86/494765286.db2.gz YGXMPDRTLWWOJO-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)s3)CC2)cc1 ZINC000026168554 494805383 /nfs/dbraw/zinc/80/53/83/494805383.db2.gz FSIVALJDOXDJIU-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)n(-c2ccc(C)cc2)n1 ZINC000026331454 494818788 /nfs/dbraw/zinc/81/87/88/494818788.db2.gz CKGCIYZERBEKKO-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)n(-c2ccc(C)cc2)n1 ZINC000026331454 494818793 /nfs/dbraw/zinc/81/87/93/494818793.db2.gz CKGCIYZERBEKKO-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000093101250 494825913 /nfs/dbraw/zinc/82/59/13/494825913.db2.gz NCZXAKRTVNGYCV-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000093101250 494825917 /nfs/dbraw/zinc/82/59/17/494825917.db2.gz NCZXAKRTVNGYCV-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@@H](C)CC#N)cc2OC)o1 ZINC000132307504 494854929 /nfs/dbraw/zinc/85/49/29/494854929.db2.gz HMCMFQCECOBPLG-AWEZNQCLSA-N 1 2 372.421 3.388 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@@H](C)CC#N)cc2OC)o1 ZINC000132307504 494854932 /nfs/dbraw/zinc/85/49/32/494854932.db2.gz HMCMFQCECOBPLG-AWEZNQCLSA-N 1 2 372.421 3.388 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@H](C)CC#N)cc2OC)o1 ZINC000132307704 494855106 /nfs/dbraw/zinc/85/51/06/494855106.db2.gz HMCMFQCECOBPLG-CQSZACIVSA-N 1 2 372.421 3.388 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@H](C)CC#N)cc2OC)o1 ZINC000132307704 494855112 /nfs/dbraw/zinc/85/51/12/494855112.db2.gz HMCMFQCECOBPLG-CQSZACIVSA-N 1 2 372.421 3.388 20 30 FGEDLO C[S@](=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122838789 495039328 /nfs/dbraw/zinc/03/93/28/495039328.db2.gz ATNDAUHQBJQOFF-AREMUKBSSA-N 1 2 367.518 3.004 20 30 FGEDLO C[S@](=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122838789 495039330 /nfs/dbraw/zinc/03/93/30/495039330.db2.gz ATNDAUHQBJQOFF-AREMUKBSSA-N 1 2 367.518 3.004 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1OC ZINC000128208819 495062255 /nfs/dbraw/zinc/06/22/55/495062255.db2.gz SPQHUUIXENWVNX-SFHVURJKSA-N 1 2 370.449 3.134 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1OC ZINC000128208819 495062257 /nfs/dbraw/zinc/06/22/57/495062257.db2.gz SPQHUUIXENWVNX-SFHVURJKSA-N 1 2 370.449 3.134 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554732 495076602 /nfs/dbraw/zinc/07/66/02/495076602.db2.gz OSGFXHSOZMPPKZ-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558465 495077154 /nfs/dbraw/zinc/07/71/54/495077154.db2.gz OEZIJLUGIWCRFJ-CQSZACIVSA-N 1 2 354.385 3.489 20 30 FGEDLO COc1cccc([C@H]2C[N@H+](CCOc3ccc(C#N)cc3OC)CCO2)c1 ZINC000119453745 495170477 /nfs/dbraw/zinc/17/04/77/495170477.db2.gz IZPMYLSSRIZLIS-OAQYLSRUSA-N 1 2 368.433 3.028 20 30 FGEDLO COc1cccc([C@H]2C[N@@H+](CCOc3ccc(C#N)cc3OC)CCO2)c1 ZINC000119453745 495170478 /nfs/dbraw/zinc/17/04/78/495170478.db2.gz IZPMYLSSRIZLIS-OAQYLSRUSA-N 1 2 368.433 3.028 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342644 495177256 /nfs/dbraw/zinc/17/72/56/495177256.db2.gz USODQTQTMKIUSN-KKSFZXQISA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342644 495177262 /nfs/dbraw/zinc/17/72/62/495177262.db2.gz USODQTQTMKIUSN-KKSFZXQISA-N 1 2 368.456 3.250 20 30 FGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112341670 495177527 /nfs/dbraw/zinc/17/75/27/495177527.db2.gz GIJDNTVDXGQXJB-LEWJYISDSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112341670 495177528 /nfs/dbraw/zinc/17/75/28/495177528.db2.gz GIJDNTVDXGQXJB-LEWJYISDSA-N 1 2 366.440 3.050 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129340327 495231508 /nfs/dbraw/zinc/23/15/08/495231508.db2.gz DRVARVCFWKUNCA-YJBOKZPZSA-N 1 2 355.438 3.180 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1F ZINC000134974118 495232864 /nfs/dbraw/zinc/23/28/64/495232864.db2.gz SOWMKYTUQKSYPR-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(C#N)c3)CC2)cc1F ZINC000134974118 495232868 /nfs/dbraw/zinc/23/28/68/495232868.db2.gz SOWMKYTUQKSYPR-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000103471215 495238132 /nfs/dbraw/zinc/23/81/32/495238132.db2.gz VXQPYVMAORVTIT-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000103471215 495238136 /nfs/dbraw/zinc/23/81/36/495238136.db2.gz VXQPYVMAORVTIT-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000135242871 495267317 /nfs/dbraw/zinc/26/73/17/495267317.db2.gz QDSRFBJUBMJTFM-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000135290839 495273582 /nfs/dbraw/zinc/27/35/82/495273582.db2.gz QGUAKINDZJAIAP-HKUYNNGSSA-N 1 2 354.450 3.405 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000135290839 495273584 /nfs/dbraw/zinc/27/35/84/495273584.db2.gz QGUAKINDZJAIAP-HKUYNNGSSA-N 1 2 354.450 3.405 20 30 FGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119986928 495282712 /nfs/dbraw/zinc/28/27/12/495282712.db2.gz RGVGGNJSKJQKII-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000119986928 495282717 /nfs/dbraw/zinc/28/27/17/495282717.db2.gz RGVGGNJSKJQKII-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[NH+]3CCN(c4cccc(O)c4)CC3)o2)cc1 ZINC000130209667 495356554 /nfs/dbraw/zinc/35/65/54/495356554.db2.gz SNCUSNOXDTWGLH-UHFFFAOYSA-N 1 2 360.417 3.241 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1C ZINC000136374072 495375988 /nfs/dbraw/zinc/37/59/88/495375988.db2.gz NJJCXCFMIAOUPC-OAHLLOKOSA-N 1 2 353.422 3.130 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)c1 ZINC000105614580 495376572 /nfs/dbraw/zinc/37/65/72/495376572.db2.gz ACKSJHMGRAHCGK-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C)o1 ZINC000125140852 495396833 /nfs/dbraw/zinc/39/68/33/495396833.db2.gz UZSAVJCLKUCWNI-UHFFFAOYSA-N 1 2 361.467 3.225 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C)o1 ZINC000125140852 495396842 /nfs/dbraw/zinc/39/68/42/495396842.db2.gz UZSAVJCLKUCWNI-UHFFFAOYSA-N 1 2 361.467 3.225 20 30 FGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179366052 495563284 /nfs/dbraw/zinc/56/32/84/495563284.db2.gz VADYKPGFVLUNNB-KOWBDXASSA-N 1 2 352.434 3.259 20 30 FGEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C#N)cc1 ZINC000173584580 495598427 /nfs/dbraw/zinc/59/84/27/495598427.db2.gz MDPZAVASATXGMD-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C#N)cc1 ZINC000173584580 495598433 /nfs/dbraw/zinc/59/84/33/495598433.db2.gz MDPZAVASATXGMD-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000182548695 495609659 /nfs/dbraw/zinc/60/96/59/495609659.db2.gz BHJMQFYODXUINP-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000182548695 495609666 /nfs/dbraw/zinc/60/96/66/495609666.db2.gz BHJMQFYODXUINP-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000154455604 495621529 /nfs/dbraw/zinc/62/15/29/495621529.db2.gz CSLXTFSYGZGJQX-UHFFFAOYSA-N 1 2 368.427 3.093 20 30 FGEDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000154455604 495621531 /nfs/dbraw/zinc/62/15/31/495621531.db2.gz CSLXTFSYGZGJQX-UHFFFAOYSA-N 1 2 368.427 3.093 20 30 FGEDLO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cn1cc[nH+]c1 ZINC000176400342 495638501 /nfs/dbraw/zinc/63/85/01/495638501.db2.gz ILODOLUDKMEZOA-QGZVFWFLSA-N 1 2 374.444 3.400 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1OC ZINC000179654454 495678222 /nfs/dbraw/zinc/67/82/22/495678222.db2.gz PBZRJMNLOSXVEI-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)cc1OC ZINC000179654454 495678227 /nfs/dbraw/zinc/67/82/27/495678227.db2.gz PBZRJMNLOSXVEI-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO Cn1cc(Cl)cc1C[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182843764 495725934 /nfs/dbraw/zinc/72/59/34/495725934.db2.gz HOJMSBPBWROOOL-GOSISDBHSA-N 1 2 356.857 3.178 20 30 FGEDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182843764 495725935 /nfs/dbraw/zinc/72/59/35/495725935.db2.gz HOJMSBPBWROOOL-GOSISDBHSA-N 1 2 356.857 3.178 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179875850 495767968 /nfs/dbraw/zinc/76/79/68/495767968.db2.gz SDTFGYYXRWLDLX-UHFFFAOYSA-N 1 2 373.460 3.338 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179875850 495767974 /nfs/dbraw/zinc/76/79/74/495767974.db2.gz SDTFGYYXRWLDLX-UHFFFAOYSA-N 1 2 373.460 3.338 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)nc1 ZINC000179985967 495811013 /nfs/dbraw/zinc/81/10/13/495811013.db2.gz DLLDKIJIWXXLFI-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000155243014 495888778 /nfs/dbraw/zinc/88/87/78/495888778.db2.gz YBGDKUMZROPDCG-XJKSGUPXSA-N 1 2 351.397 3.265 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000155243014 495888782 /nfs/dbraw/zinc/88/87/82/495888782.db2.gz YBGDKUMZROPDCG-XJKSGUPXSA-N 1 2 351.397 3.265 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ccn[nH]3)C1)CCC2 ZINC000171630614 495956562 /nfs/dbraw/zinc/95/65/62/495956562.db2.gz VVPWISPCCJVNRK-ZDUSSCGKSA-N 1 2 369.494 3.040 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3ccn[nH]3)C1)CCC2 ZINC000171630614 495956565 /nfs/dbraw/zinc/95/65/65/495956565.db2.gz VVPWISPCCJVNRK-ZDUSSCGKSA-N 1 2 369.494 3.040 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180413865 495987736 /nfs/dbraw/zinc/98/77/36/495987736.db2.gz VUGNGOBFBHWPOP-QGZVFWFLSA-N 1 2 360.461 3.156 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000174830034 496124509 /nfs/dbraw/zinc/12/45/09/496124509.db2.gz LNSGPOIPGZLRIL-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000184033078 496211337 /nfs/dbraw/zinc/21/13/37/496211337.db2.gz NYANBOPLNBNBFL-UHFFFAOYSA-N 1 2 355.829 3.351 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000161644622 496213606 /nfs/dbraw/zinc/21/36/06/496213606.db2.gz ZGTDSLDWIKWGPB-LJQANCHMSA-N 1 2 351.450 3.086 20 30 FGEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2c1 ZINC000162358564 496342358 /nfs/dbraw/zinc/34/23/58/496342358.db2.gz VSQPUBRSOXJXJM-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000178223975 496375819 /nfs/dbraw/zinc/37/58/19/496375819.db2.gz VZJHGMQKLVWYKM-UHFFFAOYSA-N 1 2 356.495 3.007 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178532919 496489847 /nfs/dbraw/zinc/48/98/47/496489847.db2.gz ZBGZNKBSOZJBOU-KRWDZBQOSA-N 1 2 370.478 3.123 20 30 FGEDLO CCCCNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(N)[nH+]1 ZINC000569090713 505850174 /nfs/dbraw/zinc/85/01/74/505850174.db2.gz MYVNVUUBLMXRDG-UHFFFAOYSA-N 1 2 366.469 3.021 20 30 FGEDLO CCCCNc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]c(N)n1 ZINC000569090713 505850177 /nfs/dbraw/zinc/85/01/77/505850177.db2.gz MYVNVUUBLMXRDG-UHFFFAOYSA-N 1 2 366.469 3.021 20 30 FGEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153854105 496602389 /nfs/dbraw/zinc/60/23/89/496602389.db2.gz NWOQPKOSHUROQO-XCJLJZCSSA-N 1 2 368.525 3.047 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000178899987 496610262 /nfs/dbraw/zinc/61/02/62/496610262.db2.gz BMGMESKSNWGQLP-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000178899987 496610269 /nfs/dbraw/zinc/61/02/69/496610269.db2.gz BMGMESKSNWGQLP-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000178998958 496640095 /nfs/dbraw/zinc/64/00/95/496640095.db2.gz KRQNPEQLJAWYDR-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000178998958 496640101 /nfs/dbraw/zinc/64/01/01/496640101.db2.gz KRQNPEQLJAWYDR-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000574807816 505860015 /nfs/dbraw/zinc/86/00/15/505860015.db2.gz BIHNZEOPJGUTNO-UHFFFAOYSA-N 1 2 363.483 3.106 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000158403511 496694459 /nfs/dbraw/zinc/69/44/59/496694459.db2.gz KBAUHAVRZHUMGH-UHFFFAOYSA-N 1 2 367.880 3.489 20 30 FGEDLO N#CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000268942712 496830767 /nfs/dbraw/zinc/83/07/67/496830767.db2.gz SXWFOJKRHGKTGJ-UHFFFAOYSA-N 1 2 368.412 3.078 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273571181 496844315 /nfs/dbraw/zinc/84/43/15/496844315.db2.gz GCDBNCWUXIKNHR-AWEZNQCLSA-N 1 2 357.483 3.061 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000188785866 496909329 /nfs/dbraw/zinc/90/93/29/496909329.db2.gz TXYXMJKGNLBPNG-UHFFFAOYSA-N 1 2 360.392 3.231 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1F ZINC000191975925 496951036 /nfs/dbraw/zinc/95/10/36/496951036.db2.gz FEFLHTXWVAVFFJ-UHFFFAOYSA-N 1 2 371.419 3.439 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)ccc1Cl ZINC000195696321 496960369 /nfs/dbraw/zinc/96/03/69/496960369.db2.gz CPCTWJGIVUCUSB-OAHLLOKOSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ccc1Cl ZINC000195696321 496960373 /nfs/dbraw/zinc/96/03/73/496960373.db2.gz CPCTWJGIVUCUSB-OAHLLOKOSA-N 1 2 363.889 3.394 20 30 FGEDLO CC(C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248219779 496974069 /nfs/dbraw/zinc/97/40/69/496974069.db2.gz HMRNBRADXQMNKR-MBOZVWFJSA-N 1 2 373.497 3.441 20 30 FGEDLO Cc1cc(Br)cn2cc(CNC(=O)C3(C#N)CCCC3)[nH+]c12 ZINC000274102954 497016403 /nfs/dbraw/zinc/01/64/03/497016403.db2.gz YVPMINYRVCBVHV-UHFFFAOYSA-N 1 2 361.243 3.105 20 30 FGEDLO CC(C)c1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000192244681 497047755 /nfs/dbraw/zinc/04/77/55/497047755.db2.gz TUGQBBWXNVUFTQ-INIZCTEOSA-N 1 2 354.479 3.029 20 30 FGEDLO Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCC2)n1 ZINC000265553108 497137914 /nfs/dbraw/zinc/13/79/14/497137914.db2.gz YZLABAJGALTJCW-UHFFFAOYSA-N 1 2 354.479 3.367 20 30 FGEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278634275 497174886 /nfs/dbraw/zinc/17/48/86/497174886.db2.gz ILOVQHZFSNMTEO-UHFFFAOYSA-N 1 2 368.868 3.492 20 30 FGEDLO N#Cc1nnc2ccccc2c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000265770886 497179979 /nfs/dbraw/zinc/17/99/79/497179979.db2.gz IWNGPWSGMZCIGL-KRWDZBQOSA-N 1 2 365.462 3.048 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000249841772 497253143 /nfs/dbraw/zinc/25/31/43/497253143.db2.gz XMZJYVOJVZCYEV-ZIAGYGMSSA-N 1 2 366.303 3.450 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000249841772 497253147 /nfs/dbraw/zinc/25/31/47/497253147.db2.gz XMZJYVOJVZCYEV-ZIAGYGMSSA-N 1 2 366.303 3.450 20 30 FGEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)[nH]n1 ZINC000271631818 497404045 /nfs/dbraw/zinc/40/40/45/497404045.db2.gz PDSYRBPVNJVLQR-ZDUSSCGKSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n[nH]1 ZINC000271631818 497404051 /nfs/dbraw/zinc/40/40/51/497404051.db2.gz PDSYRBPVNJVLQR-ZDUSSCGKSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)[nH]n1 ZINC000271631815 497404462 /nfs/dbraw/zinc/40/44/62/497404462.db2.gz PDSYRBPVNJVLQR-CYBMUJFWSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)n[nH]1 ZINC000271631815 497404466 /nfs/dbraw/zinc/40/44/66/497404466.db2.gz PDSYRBPVNJVLQR-CYBMUJFWSA-N 1 2 355.442 3.006 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000245443665 497409313 /nfs/dbraw/zinc/40/93/13/497409313.db2.gz XJQUWUNJRNJVHM-IIBYNOLFSA-N 1 2 371.444 3.375 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000245443665 497409319 /nfs/dbraw/zinc/40/93/19/497409319.db2.gz XJQUWUNJRNJVHM-IIBYNOLFSA-N 1 2 371.444 3.375 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000572188114 505910034 /nfs/dbraw/zinc/91/00/34/505910034.db2.gz ZPGLKJZQBAXLNC-UHFFFAOYSA-N 1 2 361.380 3.007 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000279538414 497467406 /nfs/dbraw/zinc/46/74/06/497467406.db2.gz SVXOXCYGEPEXSA-KDOFPFPSSA-N 1 2 361.405 3.133 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590418 497467839 /nfs/dbraw/zinc/46/78/39/497467839.db2.gz KWLWMHJMYLCLQC-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590418 497467843 /nfs/dbraw/zinc/46/78/43/497467843.db2.gz KWLWMHJMYLCLQC-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190526337 497516814 /nfs/dbraw/zinc/51/68/14/497516814.db2.gz OXRODUKTOZGILE-LBPRGKRZSA-N 1 2 361.511 3.325 20 30 FGEDLO Cc1cnc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000276266050 497532442 /nfs/dbraw/zinc/53/24/42/497532442.db2.gz XJOLGYGQKBDTNW-UHFFFAOYSA-N 1 2 369.856 3.265 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)C1 ZINC000190950372 497657373 /nfs/dbraw/zinc/65/73/73/497657373.db2.gz ONIWUWFXKZJNBC-LBPRGKRZSA-N 1 2 356.451 3.205 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)C1 ZINC000190950372 497657377 /nfs/dbraw/zinc/65/73/77/497657377.db2.gz ONIWUWFXKZJNBC-LBPRGKRZSA-N 1 2 356.451 3.205 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000272562632 497663635 /nfs/dbraw/zinc/66/36/35/497663635.db2.gz UFWKSFHSNMSZEK-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000280192031 497677133 /nfs/dbraw/zinc/67/71/33/497677133.db2.gz UDKSNHDPMQDOBF-NHCUHLMSSA-N 1 2 350.466 3.124 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000191086640 497704191 /nfs/dbraw/zinc/70/41/91/497704191.db2.gz ULPJTTSAVQQPTH-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000191086640 497704185 /nfs/dbraw/zinc/70/41/85/497704185.db2.gz ULPJTTSAVQQPTH-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)sc1C ZINC000280301859 497712208 /nfs/dbraw/zinc/71/22/08/497712208.db2.gz FRVSJYHYTXYDSU-INIZCTEOSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)sc1C ZINC000280301859 497712214 /nfs/dbraw/zinc/71/22/14/497712214.db2.gz FRVSJYHYTXYDSU-INIZCTEOSA-N 1 2 371.462 3.326 20 30 FGEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000280491676 497769951 /nfs/dbraw/zinc/76/99/51/497769951.db2.gz BPJBIBJFNJYYIL-UHFFFAOYSA-N 1 2 367.273 3.061 20 30 FGEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246644395 497793940 /nfs/dbraw/zinc/79/39/40/497793940.db2.gz NWOQPKOSHUROQO-RCLSDMTESA-N 1 2 368.525 3.047 20 30 FGEDLO Cc1ncc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(C2CC2)n1 ZINC000329668039 497862716 /nfs/dbraw/zinc/86/27/16/497862716.db2.gz RVDASMQPZIMPGH-CQSZACIVSA-N 1 2 353.470 3.476 20 30 FGEDLO Cc1noc(C2CC2)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000329809903 497909361 /nfs/dbraw/zinc/90/93/61/497909361.db2.gz QHPSUZRCCSYTBE-UHFFFAOYSA-N 1 2 365.437 3.095 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000329817939 497913777 /nfs/dbraw/zinc/91/37/77/497913777.db2.gz WXGUCGWWGLMZNR-UYAOXDASSA-N 1 2 373.545 3.037 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000329854353 497928792 /nfs/dbraw/zinc/92/87/92/497928792.db2.gz SOSYZCWZLAQSQV-OAHLLOKOSA-N 1 2 362.518 3.377 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000292250634 497939489 /nfs/dbraw/zinc/93/94/89/497939489.db2.gz QVNJIBVFUKDFJU-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000292250634 497939497 /nfs/dbraw/zinc/93/94/97/497939497.db2.gz QVNJIBVFUKDFJU-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000329927136 497955584 /nfs/dbraw/zinc/95/55/84/497955584.db2.gz WSUURTGLETUQQG-WMLDXEAASA-N 1 2 374.872 3.166 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H](C2CC2)O1 ZINC000329929199 497956602 /nfs/dbraw/zinc/95/66/02/497956602.db2.gz YOPVNXMTCYHYIZ-CJNGLKHVSA-N 1 2 364.515 3.174 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329937209 497960558 /nfs/dbraw/zinc/96/05/58/497960558.db2.gz LKTHAOWJMZJJEW-XHSDSOJGSA-N 1 2 364.515 3.413 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329940180 497961982 /nfs/dbraw/zinc/96/19/82/497961982.db2.gz BMDQBNUFVMEDEP-IEBWSBKVSA-N 1 2 369.513 3.250 20 30 FGEDLO Cc1noc(C)c1CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329954128 497967993 /nfs/dbraw/zinc/96/79/93/497967993.db2.gz OFGNDGMIDDMELS-GJZGRUSLSA-N 1 2 364.421 3.008 20 30 FGEDLO Cc1noc(C)c1CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329954128 497967998 /nfs/dbraw/zinc/96/79/98/497967998.db2.gz OFGNDGMIDDMELS-GJZGRUSLSA-N 1 2 364.421 3.008 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329965811 497973173 /nfs/dbraw/zinc/97/31/73/497973173.db2.gz RIWZPBQKBHNHIE-GOSISDBHSA-N 1 2 369.513 3.289 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)ccc2n1 ZINC000330009100 497989147 /nfs/dbraw/zinc/98/91/47/497989147.db2.gz GALPSEMUUKRHPG-UHFFFAOYSA-N 1 2 359.474 3.054 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C2CC2)cc1 ZINC000330076945 498012401 /nfs/dbraw/zinc/01/24/01/498012401.db2.gz MQBLJSXYTKVFAR-NDXORKPFSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)C2CC2)cc1 ZINC000330076945 498012408 /nfs/dbraw/zinc/01/24/08/498012408.db2.gz MQBLJSXYTKVFAR-NDXORKPFSA-N 1 2 358.482 3.282 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330134160 498034476 /nfs/dbraw/zinc/03/44/76/498034476.db2.gz RSJIHOHSXCYEHO-CLCXKQKWSA-N 1 2 366.889 3.455 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330134160 498034484 /nfs/dbraw/zinc/03/44/84/498034484.db2.gz RSJIHOHSXCYEHO-CLCXKQKWSA-N 1 2 366.889 3.455 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330143669 498037350 /nfs/dbraw/zinc/03/73/50/498037350.db2.gz ZBDLJQGZKUTYLK-YVEFUNNKSA-N 1 2 356.825 3.337 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330143669 498037354 /nfs/dbraw/zinc/03/73/54/498037354.db2.gz ZBDLJQGZKUTYLK-YVEFUNNKSA-N 1 2 356.825 3.337 20 30 FGEDLO CCOC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330202428 498059558 /nfs/dbraw/zinc/05/95/58/498059558.db2.gz ZGWRTYNFLKAPPF-OAHLLOKOSA-N 1 2 362.518 3.300 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330206274 498060476 /nfs/dbraw/zinc/06/04/76/498060476.db2.gz DDFJMENCUOTYMX-NSHDSACASA-N 1 2 368.462 3.244 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330206274 498060480 /nfs/dbraw/zinc/06/04/80/498060480.db2.gz DDFJMENCUOTYMX-NSHDSACASA-N 1 2 368.462 3.244 20 30 FGEDLO CN(C(=O)C1(c2ccc(C#N)cc2)CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364650999 498069666 /nfs/dbraw/zinc/06/96/66/498069666.db2.gz FOGKEMJOFPOIMC-UHFFFAOYSA-N 1 2 360.461 3.112 20 30 FGEDLO Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285394229 498071976 /nfs/dbraw/zinc/07/19/76/498071976.db2.gz DMGOTEFVPXVECY-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301355903 498072583 /nfs/dbraw/zinc/07/25/83/498072583.db2.gz KJRBVJVKNQSRAL-UHFFFAOYSA-N 1 2 374.404 3.491 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000581374696 505974266 /nfs/dbraw/zinc/97/42/66/505974266.db2.gz WOBUETLFXBYVFX-NRFANRHFSA-N 1 2 365.433 3.176 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000581374696 505974269 /nfs/dbraw/zinc/97/42/69/505974269.db2.gz WOBUETLFXBYVFX-NRFANRHFSA-N 1 2 365.433 3.176 20 30 FGEDLO CC(C)c1noc([C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CCOCC2)n1 ZINC000330243309 498076031 /nfs/dbraw/zinc/07/60/31/498076031.db2.gz CONDWPNFJVBKSX-GDBMZVCRSA-N 1 2 373.457 3.076 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCC[C@@H]3O)n2)C1 ZINC000330249324 498079569 /nfs/dbraw/zinc/07/95/69/498079569.db2.gz ZTULECLJOZRFMG-SNPRPXQTSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCC[C@@H]3O)n2)C1 ZINC000330249324 498079581 /nfs/dbraw/zinc/07/95/81/498079581.db2.gz ZTULECLJOZRFMG-SNPRPXQTSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1C(=O)Nc2cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)ccc2N1C ZINC000330255482 498083075 /nfs/dbraw/zinc/08/30/75/498083075.db2.gz JYADUTUOLOUPRG-CYBMUJFWSA-N 1 2 367.453 3.193 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cccc3ccsc32)CCN1C ZINC000330333236 498108193 /nfs/dbraw/zinc/10/81/93/498108193.db2.gz PQFKRFIASCGITQ-OAHLLOKOSA-N 1 2 355.467 3.169 20 30 FGEDLO CCOC(=O)c1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000292690027 498110266 /nfs/dbraw/zinc/11/02/66/498110266.db2.gz RROFPAMMLMBNIS-UHFFFAOYSA-N 1 2 371.462 3.235 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(F)c(F)c2)CCO1 ZINC000330361703 498118549 /nfs/dbraw/zinc/11/85/49/498118549.db2.gz YRHXIFDXKDBZGY-OTYXRUKQSA-N 1 2 354.332 3.084 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)CCO1 ZINC000330359608 498119104 /nfs/dbraw/zinc/11/91/04/498119104.db2.gz WFNYLZNNAATSNR-WMLDXEAASA-N 1 2 369.425 3.010 20 30 FGEDLO N#Cc1c(F)cccc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301529821 498150309 /nfs/dbraw/zinc/15/03/09/498150309.db2.gz RFYMGWBTAJLTJC-UHFFFAOYSA-N 1 2 350.319 3.438 20 30 FGEDLO Cc1cc(NC(=O)N(C)C[C@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@H]1C ZINC000330769362 498190159 /nfs/dbraw/zinc/19/01/59/498190159.db2.gz AHGXXUNXQROLJQ-OCCSQVGLSA-N 1 2 374.407 3.169 20 30 FGEDLO CC1(C)C[NH+]=C(N2CCN(c3cc(C#N)nc4ccccc43)CC2)S1 ZINC000301760489 498254276 /nfs/dbraw/zinc/25/42/76/498254276.db2.gz ZYDWRCYZMLVESM-UHFFFAOYSA-N 1 2 351.479 3.110 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)ccc1OC ZINC000578755288 506013267 /nfs/dbraw/zinc/01/32/67/506013267.db2.gz APHJJLSBKYPRNT-IIOOSLMMSA-N 1 2 351.512 3.382 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)ccc1OC ZINC000578755288 506013268 /nfs/dbraw/zinc/01/32/68/506013268.db2.gz APHJJLSBKYPRNT-IIOOSLMMSA-N 1 2 351.512 3.382 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000281968482 498338198 /nfs/dbraw/zinc/33/81/98/498338198.db2.gz YGTKTOKSZFHNIE-SFHVURJKSA-N 1 2 352.438 3.102 20 30 FGEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000293331552 498349507 /nfs/dbraw/zinc/34/95/07/498349507.db2.gz GPOISTZZGBYLKI-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000293331552 498349511 /nfs/dbraw/zinc/34/95/11/498349511.db2.gz GPOISTZZGBYLKI-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO N#CC1(CCC[S@@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000282011328 498355820 /nfs/dbraw/zinc/35/58/20/498355820.db2.gz XWMJSBMNNMZLBB-XMMPIXPASA-N 1 2 365.886 3.337 20 30 FGEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c2ccccc2)n1C ZINC000361283774 498370314 /nfs/dbraw/zinc/37/03/14/498370314.db2.gz IXMOWKTZBNIGKJ-YWZLYKJASA-N 1 2 361.449 3.294 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000365488096 498493535 /nfs/dbraw/zinc/49/35/35/498493535.db2.gz DAUMJXIKUTXIFU-FXAWDEMLSA-N 1 2 358.449 3.024 20 30 FGEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375157 498505241 /nfs/dbraw/zinc/50/52/41/498505241.db2.gz AYJYDYDZCSKRTN-NRFANRHFSA-N 1 2 372.407 3.356 20 30 FGEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375157 498505247 /nfs/dbraw/zinc/50/52/47/498505247.db2.gz AYJYDYDZCSKRTN-NRFANRHFSA-N 1 2 372.407 3.356 20 30 FGEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000362375157 498505250 /nfs/dbraw/zinc/50/52/50/498505250.db2.gz AYJYDYDZCSKRTN-NRFANRHFSA-N 1 2 372.407 3.356 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000282433912 498510311 /nfs/dbraw/zinc/51/03/11/498510311.db2.gz YWUDWKHXCGKXTQ-GTPINHCMSA-N 1 2 360.527 3.466 20 30 FGEDLO C=CC[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000302608057 498517167 /nfs/dbraw/zinc/51/71/67/498517167.db2.gz WZEAVGZPRUABPS-UHFFFAOYSA-N 1 2 370.927 3.368 20 30 FGEDLO C=CC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccc(Cl)s1 ZINC000302608057 498517170 /nfs/dbraw/zinc/51/71/70/498517170.db2.gz WZEAVGZPRUABPS-UHFFFAOYSA-N 1 2 370.927 3.368 20 30 FGEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000286939914 498561255 /nfs/dbraw/zinc/56/12/55/498561255.db2.gz LZKRHVZNCRCNEF-UHFFFAOYSA-N 1 2 369.421 3.134 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000581729778 506055415 /nfs/dbraw/zinc/05/54/15/506055415.db2.gz JVSCLJVTMZNKBY-OAQYLSRUSA-N 1 2 351.450 3.083 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000332244106 498615675 /nfs/dbraw/zinc/61/56/75/498615675.db2.gz APVUTLHYIFVGGM-QGZVFWFLSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103157 498650715 /nfs/dbraw/zinc/65/07/15/498650715.db2.gz CVQIPICXWCLFPP-FZMZJTMJSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103157 498650718 /nfs/dbraw/zinc/65/07/18/498650718.db2.gz CVQIPICXWCLFPP-FZMZJTMJSA-N 1 2 373.844 3.110 20 30 FGEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000303350040 498667863 /nfs/dbraw/zinc/66/78/63/498667863.db2.gz HATXZPADOZGZLM-NRFANRHFSA-N 1 2 358.445 3.438 20 30 FGEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000303350040 498667870 /nfs/dbraw/zinc/66/78/70/498667870.db2.gz HATXZPADOZGZLM-NRFANRHFSA-N 1 2 358.445 3.438 20 30 FGEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000572870874 506072394 /nfs/dbraw/zinc/07/23/94/506072394.db2.gz IPZSNPNAHCRFBL-SFHVURJKSA-N 1 2 364.449 3.277 20 30 FGEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000572870874 506072396 /nfs/dbraw/zinc/07/23/96/506072396.db2.gz IPZSNPNAHCRFBL-SFHVURJKSA-N 1 2 364.449 3.277 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000298392308 498755831 /nfs/dbraw/zinc/75/58/31/498755831.db2.gz JMPFPGUCGKXLHY-BBWFWOEESA-N 1 2 355.486 3.191 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000570097510 506089807 /nfs/dbraw/zinc/08/98/07/506089807.db2.gz GZSIDBBXTOBKBK-HXUWFJFHSA-N 1 2 371.868 3.346 20 30 FGEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4ncc(C#N)cc4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000294825595 498817005 /nfs/dbraw/zinc/81/70/05/498817005.db2.gz AEJISVBOIILZHN-AWEZNQCLSA-N 1 2 362.393 3.430 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298666981 498843982 /nfs/dbraw/zinc/84/39/82/498843982.db2.gz QLOSBQNKNZVNDQ-MRXNPFEDSA-N 1 2 364.449 3.027 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c1C#N ZINC000573022844 506101083 /nfs/dbraw/zinc/10/10/83/506101083.db2.gz ZFBACICLWMGXCF-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000298760856 498870785 /nfs/dbraw/zinc/87/07/85/498870785.db2.gz XJBRJWNPNRFRMS-PKOBYXMFSA-N 1 2 372.428 3.131 20 30 FGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000298760856 498870790 /nfs/dbraw/zinc/87/07/90/498870790.db2.gz XJBRJWNPNRFRMS-PKOBYXMFSA-N 1 2 372.428 3.131 20 30 FGEDLO C=CCCCCCN(C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363557711 498877260 /nfs/dbraw/zinc/87/72/60/498877260.db2.gz KYZMICKAWJPAJC-UHFFFAOYSA-N 1 2 350.532 3.495 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328770201 498932937 /nfs/dbraw/zinc/93/29/37/498932937.db2.gz CKZPQNRWSLSVAJ-UHFFFAOYSA-N 1 2 370.453 3.459 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Cl)cc1I ZINC000579193236 506113915 /nfs/dbraw/zinc/11/39/15/506113915.db2.gz XVRSYICMQMCQON-SNVBAGLBSA-N 1 2 373.625 3.478 20 30 FGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000328773998 498934267 /nfs/dbraw/zinc/93/42/67/498934267.db2.gz DWDZEIGYLHUAPX-NVXWUHKLSA-N 1 2 370.428 3.217 20 30 FGEDLO CC(C)n1nccc1CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000328824047 498951422 /nfs/dbraw/zinc/95/14/22/498951422.db2.gz PONMMDMSYIBBSV-QZTJIDSGSA-N 1 2 361.534 3.117 20 30 FGEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328830605 498954142 /nfs/dbraw/zinc/95/41/42/498954142.db2.gz KPADEAQOWVLONA-NVXWUHKLSA-N 1 2 350.825 3.386 20 30 FGEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328830605 498954143 /nfs/dbraw/zinc/95/41/43/498954143.db2.gz KPADEAQOWVLONA-NVXWUHKLSA-N 1 2 350.825 3.386 20 30 FGEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328830580 498954620 /nfs/dbraw/zinc/95/46/20/498954620.db2.gz KNXLPMCZNBCXJH-KRWDZBQOSA-N 1 2 372.444 3.174 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328840632 498956770 /nfs/dbraw/zinc/95/67/70/498956770.db2.gz OIFMDSWXSXQGSF-USXIJHARSA-N 1 2 374.872 3.339 20 30 FGEDLO CC(C)[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH]cc[nH+]1 ZINC000288180307 498961490 /nfs/dbraw/zinc/96/14/90/498961490.db2.gz RICSSLXBBUEWAZ-GOSISDBHSA-N 1 2 369.444 3.150 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)NC1C2CC3CC(C2)CC1C3 ZINC000328876267 498969781 /nfs/dbraw/zinc/96/97/81/498969781.db2.gz KAQWAKZIELEBLF-UHFFFAOYSA-N 1 2 356.392 3.274 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328931137 498990318 /nfs/dbraw/zinc/99/03/18/498990318.db2.gz BCHOAFOAWGHBPU-OIISXLGYSA-N 1 2 374.485 3.061 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328931137 498990324 /nfs/dbraw/zinc/99/03/24/498990324.db2.gz BCHOAFOAWGHBPU-OIISXLGYSA-N 1 2 374.485 3.061 20 30 FGEDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)C2)cc(OC)c1 ZINC000328984998 499006231 /nfs/dbraw/zinc/00/62/31/499006231.db2.gz ZLDWEEYBMXENMU-UAGQMJEPSA-N 1 2 374.481 3.240 20 30 FGEDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)C2)cc(OC)c1 ZINC000328984998 499006239 /nfs/dbraw/zinc/00/62/39/499006239.db2.gz ZLDWEEYBMXENMU-UAGQMJEPSA-N 1 2 374.481 3.240 20 30 FGEDLO CC(=O)N1CC[N@H+](CC(=O)NCCc2ccccc2C)CC12CCCCC2 ZINC000329045137 499023732 /nfs/dbraw/zinc/02/37/32/499023732.db2.gz PMQPSMHXFJUDLW-UHFFFAOYSA-N 1 2 371.525 3.361 20 30 FGEDLO CC(=O)N1CC[N@@H+](CC(=O)NCCc2ccccc2C)CC12CCCCC2 ZINC000329045137 499023734 /nfs/dbraw/zinc/02/37/34/499023734.db2.gz PMQPSMHXFJUDLW-UHFFFAOYSA-N 1 2 371.525 3.361 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2)n1 ZINC000329042635 499023784 /nfs/dbraw/zinc/02/37/84/499023784.db2.gz TXOBHRCCFPBWLK-SJORKVTESA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2)n1 ZINC000329042635 499023789 /nfs/dbraw/zinc/02/37/89/499023789.db2.gz TXOBHRCCFPBWLK-SJORKVTESA-N 1 2 372.494 3.069 20 30 FGEDLO Cn1nccc1C1CC[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000329265805 499087515 /nfs/dbraw/zinc/08/75/15/499087515.db2.gz CNVWGRKRARXEJD-UHFFFAOYSA-N 1 2 359.499 3.223 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@]3(CCOC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329310899 499096262 /nfs/dbraw/zinc/09/62/62/499096262.db2.gz FZRNMQXNIZBEQK-UZLBHIALSA-N 1 2 358.486 3.427 20 30 FGEDLO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329405930 499115852 /nfs/dbraw/zinc/11/58/52/499115852.db2.gz BZASAOVFFKAPHB-LAQRGFTBSA-N 1 2 358.486 3.017 20 30 FGEDLO COc1cccc([C@H](NC(=O)c2ccc(C)c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000366940981 499119739 /nfs/dbraw/zinc/11/97/39/499119739.db2.gz NMELPCROZYZVHG-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C)[C@@H]3C)n2)C1 ZINC000329429662 499120931 /nfs/dbraw/zinc/12/09/31/499120931.db2.gz JWRUWZGRBGGHTH-HZSPNIEDSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C)[C@@H]3C)n2)C1 ZINC000329429662 499120932 /nfs/dbraw/zinc/12/09/32/499120932.db2.gz JWRUWZGRBGGHTH-HZSPNIEDSA-N 1 2 352.504 3.030 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCSCC[C@@H]1C)C1CCOCC1 ZINC000329446244 499122641 /nfs/dbraw/zinc/12/26/41/499122641.db2.gz KWTIUQLJNVQRFE-GOEBONIOSA-N 1 2 366.531 3.112 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)cc1 ZINC000369840925 499136940 /nfs/dbraw/zinc/13/69/40/499136940.db2.gz OSCFUJHGPYJUGX-IBGZPJMESA-N 1 2 356.429 3.301 20 30 FGEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000372606701 499152631 /nfs/dbraw/zinc/15/26/31/499152631.db2.gz GXZWCMDVFIEHDJ-QHCPKHFHSA-N 1 2 370.456 3.291 20 30 FGEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000372606701 499152634 /nfs/dbraw/zinc/15/26/34/499152634.db2.gz GXZWCMDVFIEHDJ-QHCPKHFHSA-N 1 2 370.456 3.291 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)cc1F ZINC000372816200 499179337 /nfs/dbraw/zinc/17/93/37/499179337.db2.gz SXKNXPVPAOPAMZ-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)cc1F ZINC000372816200 499179340 /nfs/dbraw/zinc/17/93/40/499179340.db2.gz SXKNXPVPAOPAMZ-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO COc1cccc([C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccn2)c1 ZINC000367439021 499199102 /nfs/dbraw/zinc/19/91/02/499199102.db2.gz RAZDPDAOSAUWFU-QFIPXVFZSA-N 1 2 369.428 3.489 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000367848084 499237905 /nfs/dbraw/zinc/23/79/05/499237905.db2.gz KICFWJOJEGQFFJ-UHFFFAOYSA-N 1 2 357.255 3.490 20 30 FGEDLO COc1ccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2[nH+]ccn2C)cc1 ZINC000370675020 499243107 /nfs/dbraw/zinc/24/31/07/499243107.db2.gz AOGSMIOTNKFULZ-QGZVFWFLSA-N 1 2 369.469 3.147 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)c1cccc(F)c1 ZINC000367904238 499243715 /nfs/dbraw/zinc/24/37/15/499243715.db2.gz PDXBXEACQFZXIP-MRXNPFEDSA-N 1 2 357.433 3.278 20 30 FGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368052885 499259969 /nfs/dbraw/zinc/25/99/69/499259969.db2.gz ZTIYTFFAGVPKPY-AWEZNQCLSA-N 1 2 364.726 3.278 20 30 FGEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368052885 499259970 /nfs/dbraw/zinc/25/99/70/499259970.db2.gz ZTIYTFFAGVPKPY-AWEZNQCLSA-N 1 2 364.726 3.278 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000371051365 499283943 /nfs/dbraw/zinc/28/39/43/499283943.db2.gz CZIAWEJVZBRNBK-OAHLLOKOSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000371051365 499283944 /nfs/dbraw/zinc/28/39/44/499283944.db2.gz CZIAWEJVZBRNBK-OAHLLOKOSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000371051365 499283945 /nfs/dbraw/zinc/28/39/45/499283945.db2.gz CZIAWEJVZBRNBK-OAHLLOKOSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000371051365 499283946 /nfs/dbraw/zinc/28/39/46/499283946.db2.gz CZIAWEJVZBRNBK-OAHLLOKOSA-N 1 2 369.494 3.152 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)cc3C)CC2)cs1 ZINC000368570054 499308766 /nfs/dbraw/zinc/30/87/66/499308766.db2.gz QEXAXGVHQXVEAZ-UHFFFAOYSA-N 1 2 368.506 3.234 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)cc3C)CC2)cs1 ZINC000368570054 499308767 /nfs/dbraw/zinc/30/87/67/499308767.db2.gz QEXAXGVHQXVEAZ-UHFFFAOYSA-N 1 2 368.506 3.234 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000368591291 499311073 /nfs/dbraw/zinc/31/10/73/499311073.db2.gz GSLFVJPJDAVUNS-GDIGMMSISA-N 1 2 366.465 3.130 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812321 499335296 /nfs/dbraw/zinc/33/52/96/499335296.db2.gz NCCLCWTVCDBXBV-UONOGXRCSA-N 1 2 360.433 3.339 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123616 499367973 /nfs/dbraw/zinc/36/79/73/499367973.db2.gz DBTLDUWXYBBDNT-AVRDEDQJSA-N 1 2 364.493 3.419 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123616 499367974 /nfs/dbraw/zinc/36/79/74/499367974.db2.gz DBTLDUWXYBBDNT-AVRDEDQJSA-N 1 2 364.493 3.419 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407883 499515085 /nfs/dbraw/zinc/51/50/85/499515085.db2.gz ZANRMBWWDMGOPZ-RRQGHBQHSA-N 1 2 352.837 3.367 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407883 499515084 /nfs/dbraw/zinc/51/50/84/499515084.db2.gz ZANRMBWWDMGOPZ-RRQGHBQHSA-N 1 2 352.837 3.367 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375492315 499525280 /nfs/dbraw/zinc/52/52/80/499525280.db2.gz BWVUQPVGHQKESL-NVXWUHKLSA-N 1 2 364.449 3.451 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000375732880 499549818 /nfs/dbraw/zinc/54/98/18/499549818.db2.gz RXXAQLJSZMKWDA-BPQIPLTHSA-N 1 2 357.429 3.136 20 30 FGEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000375977910 499573632 /nfs/dbraw/zinc/57/36/32/499573632.db2.gz UWZBILNUNQJFAO-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000375977910 499573633 /nfs/dbraw/zinc/57/36/33/499573633.db2.gz UWZBILNUNQJFAO-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO C[N@@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377136793 499665270 /nfs/dbraw/zinc/66/52/70/499665270.db2.gz SWHVJEHRTBSTOL-OAHLLOKOSA-N 1 2 357.801 3.008 20 30 FGEDLO C[N@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377136793 499665271 /nfs/dbraw/zinc/66/52/71/499665271.db2.gz SWHVJEHRTBSTOL-OAHLLOKOSA-N 1 2 357.801 3.008 20 30 FGEDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412060474 499818989 /nfs/dbraw/zinc/81/89/89/499818989.db2.gz FRIAODPRFXXWDM-MRXNPFEDSA-N 1 2 351.244 3.096 20 30 FGEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412060474 499818990 /nfs/dbraw/zinc/81/89/90/499818990.db2.gz FRIAODPRFXXWDM-MRXNPFEDSA-N 1 2 351.244 3.096 20 30 FGEDLO N#Cc1cnc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(F)c1 ZINC000413028522 499904974 /nfs/dbraw/zinc/90/49/74/499904974.db2.gz PIYMGSVHOSWZJB-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cccc(F)c2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000428952250 499967277 /nfs/dbraw/zinc/96/72/77/499967277.db2.gz HWUHLLXIGKFSCG-IFXJQAMLSA-N 1 2 360.454 3.270 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000428950310 499967584 /nfs/dbraw/zinc/96/75/84/499967584.db2.gz BTCHINIBIFZTRU-OAHLLOKOSA-N 1 2 354.303 3.419 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000425083045 500014776 /nfs/dbraw/zinc/01/47/76/500014776.db2.gz HBPYPQPFCLFFPF-GFCCVEGCSA-N 1 2 350.344 3.302 20 30 FGEDLO Cc1cc(N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425227906 500050329 /nfs/dbraw/zinc/05/03/29/500050329.db2.gz JVOHLNAGTDSZRV-OAHLLOKOSA-N 1 2 368.868 3.195 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425542958 500139208 /nfs/dbraw/zinc/13/92/08/500139208.db2.gz YYBFFXYZIRLFRZ-ZDUSSCGKSA-N 1 2 363.508 3.063 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425542958 500139213 /nfs/dbraw/zinc/13/92/13/500139213.db2.gz YYBFFXYZIRLFRZ-ZDUSSCGKSA-N 1 2 363.508 3.063 20 30 FGEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000422368675 500256169 /nfs/dbraw/zinc/25/61/69/500256169.db2.gz PWNJCOBDJRMKQQ-LJQANCHMSA-N 1 2 351.450 3.138 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000428221445 500483333 /nfs/dbraw/zinc/48/33/33/500483333.db2.gz FWDOAXITADAQBI-UHFFFAOYSA-N 1 2 363.234 3.493 20 30 FGEDLO Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc(C)[nH+]1 ZINC000420697966 500489045 /nfs/dbraw/zinc/48/90/45/500489045.db2.gz KDNWJUNFRYMKST-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CCOCC1 ZINC000424637923 500533430 /nfs/dbraw/zinc/53/34/30/500533430.db2.gz DNBFAUVDRVZDAT-KRWDZBQOSA-N 1 2 360.473 3.404 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CCOCC1 ZINC000424637924 500533444 /nfs/dbraw/zinc/53/34/44/500533444.db2.gz DNBFAUVDRVZDAT-QGZVFWFLSA-N 1 2 360.473 3.404 20 30 FGEDLO CC(C)(C)C(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432621254 500539605 /nfs/dbraw/zinc/53/96/05/500539605.db2.gz WJQTUJIRWJWZBF-UHFFFAOYSA-N 1 2 356.514 3.458 20 30 FGEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nn1 ZINC000424680201 500541131 /nfs/dbraw/zinc/54/11/31/500541131.db2.gz BODQFTFZCQJKRI-HNNXBMFYSA-N 1 2 373.888 3.027 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000432781684 500562915 /nfs/dbraw/zinc/56/29/15/500562915.db2.gz SHTCXNAGVZZWGV-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000432781684 500562917 /nfs/dbraw/zinc/56/29/17/500562917.db2.gz SHTCXNAGVZZWGV-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO CCOc1ccc(CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000442803458 500627981 /nfs/dbraw/zinc/62/79/81/500627981.db2.gz UHOCFQVJVCCLQA-UHFFFAOYSA-N 1 2 365.477 3.283 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000570627722 506207425 /nfs/dbraw/zinc/20/74/25/506207425.db2.gz WZQKGKYYIAWEOJ-XIRDDKMYSA-N 1 2 374.872 3.053 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)cc1 ZINC000442895972 500642967 /nfs/dbraw/zinc/64/29/67/500642967.db2.gz FTENZEOVFBEZIW-QGZVFWFLSA-N 1 2 366.808 3.170 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000437637140 500673537 /nfs/dbraw/zinc/67/35/37/500673537.db2.gz PNNYXJYLPZKBPI-ICSRJNTNSA-N 1 2 372.513 3.242 20 30 FGEDLO C=CC[N@H+](Cc1nc(C)sc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443601695 500743655 /nfs/dbraw/zinc/74/36/55/500743655.db2.gz ICGJTMHXAJPDQX-CYBMUJFWSA-N 1 2 354.483 3.485 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C)sc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443601695 500743657 /nfs/dbraw/zinc/74/36/57/500743657.db2.gz ICGJTMHXAJPDQX-CYBMUJFWSA-N 1 2 354.483 3.485 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580087 506222255 /nfs/dbraw/zinc/22/22/55/506222255.db2.gz QKYZYPFIFXPNID-CZUORRHYSA-N 1 2 369.387 3.164 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580087 506222258 /nfs/dbraw/zinc/22/22/58/506222258.db2.gz QKYZYPFIFXPNID-CZUORRHYSA-N 1 2 369.387 3.164 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2cccs2)cc1 ZINC000444653628 500873704 /nfs/dbraw/zinc/87/37/04/500873704.db2.gz WMKZHASRCDFEMD-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000434793938 500896805 /nfs/dbraw/zinc/89/68/05/500896805.db2.gz LKPTVSLWWXYNKF-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000434793938 500896808 /nfs/dbraw/zinc/89/68/08/500896808.db2.gz LKPTVSLWWXYNKF-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444787302 500900885 /nfs/dbraw/zinc/90/08/85/500900885.db2.gz WYMZUGSPIJRTKL-HOTGVXAUSA-N 1 2 374.916 3.123 20 30 FGEDLO COc1cc(C[NH2+]Cc2nc(C)c(Br)s2)ccc1C#N ZINC000449400956 500994782 /nfs/dbraw/zinc/99/47/82/500994782.db2.gz KRGTXFURCYQMMG-UHFFFAOYSA-N 1 2 352.257 3.384 20 30 FGEDLO CC[C@H](F)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000440794996 501049128 /nfs/dbraw/zinc/04/91/28/501049128.db2.gz SIWWYOQNGZIZAP-JKSUJKDBSA-N 1 2 354.267 3.379 20 30 FGEDLO Clc1ccccc1C#CCN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436259499 501096901 /nfs/dbraw/zinc/09/69/01/501096901.db2.gz DYLWWZMHLPHZIO-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1ccccc1C#CCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436259499 501096902 /nfs/dbraw/zinc/09/69/02/501096902.db2.gz DYLWWZMHLPHZIO-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CNc2ccc(C#N)cc2)c(C)c1 ZINC000442180853 501205154 /nfs/dbraw/zinc/20/51/54/501205154.db2.gz IZBABJORLPZDPB-OAQYLSRUSA-N 1 2 373.460 3.341 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598955609 506244013 /nfs/dbraw/zinc/24/40/13/506244013.db2.gz RQWUBVODQRSEOX-UHFFFAOYSA-N 1 2 373.460 3.179 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457679291 501285286 /nfs/dbraw/zinc/28/52/86/501285286.db2.gz DRWURTNPMXIMIH-ZWQIFLOQSA-N 1 2 364.436 3.198 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457679291 501285288 /nfs/dbraw/zinc/28/52/88/501285288.db2.gz DRWURTNPMXIMIH-ZWQIFLOQSA-N 1 2 364.436 3.198 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000457774684 501306087 /nfs/dbraw/zinc/30/60/87/501306087.db2.gz YHSRCDBPFUCHOU-OALUTQOASA-N 1 2 357.498 3.297 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc(OC)c1OC ZINC000455487385 501315802 /nfs/dbraw/zinc/31/58/02/501315802.db2.gz QEQJFEQHTWIEAR-BBRMVZONSA-N 1 2 370.453 3.134 20 30 FGEDLO C=C(CC)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000455517012 501323238 /nfs/dbraw/zinc/32/32/38/501323238.db2.gz DQBQKNBGCAHCBY-UHFFFAOYSA-N 1 2 350.466 3.410 20 30 FGEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000602659644 506250563 /nfs/dbraw/zinc/25/05/63/506250563.db2.gz UVFRMKMPHBPEOX-UHFFFAOYSA-N 1 2 360.845 3.190 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000455982209 501431212 /nfs/dbraw/zinc/43/12/12/501431212.db2.gz HTJMCWYBZJZQEE-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459111064 501595679 /nfs/dbraw/zinc/59/56/79/501595679.db2.gz LTPDBNZDROPNOU-CJNGLKHVSA-N 1 2 355.398 3.195 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457284926 501676374 /nfs/dbraw/zinc/67/63/74/501676374.db2.gz FZOOVDKHMVUIRT-INIZCTEOSA-N 1 2 358.467 3.118 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](Cc2cnn(C)c2)CC(C)C)c(C#N)c1C ZINC000459596984 501683935 /nfs/dbraw/zinc/68/39/35/501683935.db2.gz OYTWSIJQAIGTEB-UHFFFAOYSA-N 1 2 359.499 3.067 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(C#N)c1C ZINC000459596984 501683936 /nfs/dbraw/zinc/68/39/36/501683936.db2.gz OYTWSIJQAIGTEB-UHFFFAOYSA-N 1 2 359.499 3.067 20 30 FGEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3cccc(F)c3C2)c(OC)c1 ZINC000459731996 501705628 /nfs/dbraw/zinc/70/56/28/501705628.db2.gz LSGIKLRTHFUOMH-QGZVFWFLSA-N 1 2 357.425 3.318 20 30 FGEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2Cc3cccc(F)c3C2)c(OC)c1 ZINC000459731996 501705630 /nfs/dbraw/zinc/70/56/30/501705630.db2.gz LSGIKLRTHFUOMH-QGZVFWFLSA-N 1 2 357.425 3.318 20 30 FGEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)s3)CCCCCC2)no1 ZINC000467181674 501729627 /nfs/dbraw/zinc/72/96/27/501729627.db2.gz KRZXDIQLXCVILJ-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@H]1C ZINC000467287167 501758909 /nfs/dbraw/zinc/75/89/09/501758909.db2.gz FCCBUGPIUYUZHK-KUHUBIRLSA-N 1 2 372.513 3.387 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@H]1C ZINC000467287167 501758911 /nfs/dbraw/zinc/75/89/11/501758911.db2.gz FCCBUGPIUYUZHK-KUHUBIRLSA-N 1 2 372.513 3.387 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C1=O ZINC000467512401 501812995 /nfs/dbraw/zinc/81/29/95/501812995.db2.gz OMEZTYQIILDLAY-LJQANCHMSA-N 1 2 352.482 3.214 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C1=O ZINC000467512401 501812999 /nfs/dbraw/zinc/81/29/99/501812999.db2.gz OMEZTYQIILDLAY-LJQANCHMSA-N 1 2 352.482 3.214 20 30 FGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000467521157 501815934 /nfs/dbraw/zinc/81/59/34/501815934.db2.gz XMMSUBUBGMZBSD-LJQANCHMSA-N 1 2 350.890 3.465 20 30 FGEDLO COC(=O)[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000481591363 501825005 /nfs/dbraw/zinc/82/50/05/501825005.db2.gz HDCGUBZYQPCIDZ-OAQYLSRUSA-N 1 2 363.461 3.279 20 30 FGEDLO COc1cccc(F)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000481627604 501836416 /nfs/dbraw/zinc/83/64/16/501836416.db2.gz JOFWOBXFZTWNRA-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000478046211 501864819 /nfs/dbraw/zinc/86/48/19/501864819.db2.gz JBXJDEFTIAVWCJ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000478046211 501864826 /nfs/dbraw/zinc/86/48/26/501864826.db2.gz JBXJDEFTIAVWCJ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000478169376 501898959 /nfs/dbraw/zinc/89/89/59/501898959.db2.gz AIIJPWWKXKTONA-HNNXBMFYSA-N 1 2 369.415 3.284 20 30 FGEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000485865448 501966872 /nfs/dbraw/zinc/96/68/72/501966872.db2.gz VEHXNOZHKQPYPY-ZDUSSCGKSA-N 1 2 356.388 3.172 20 30 FGEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000485865448 501966873 /nfs/dbraw/zinc/96/68/73/501966873.db2.gz VEHXNOZHKQPYPY-ZDUSSCGKSA-N 1 2 356.388 3.172 20 30 FGEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000478415617 501975137 /nfs/dbraw/zinc/97/51/37/501975137.db2.gz IAOSNWQYWWFNIQ-QGZVFWFLSA-N 1 2 372.490 3.042 20 30 FGEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000478415617 501975142 /nfs/dbraw/zinc/97/51/42/501975142.db2.gz IAOSNWQYWWFNIQ-QGZVFWFLSA-N 1 2 372.490 3.042 20 30 FGEDLO C=C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000464755220 502083662 /nfs/dbraw/zinc/08/36/62/502083662.db2.gz IUQGROIIWKZMQR-WMLDXEAASA-N 1 2 365.905 3.366 20 30 FGEDLO C=C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000464755220 502083663 /nfs/dbraw/zinc/08/36/63/502083663.db2.gz IUQGROIIWKZMQR-WMLDXEAASA-N 1 2 365.905 3.366 20 30 FGEDLO C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000464755218 502083888 /nfs/dbraw/zinc/08/38/88/502083888.db2.gz IUQGROIIWKZMQR-PBHICJAKSA-N 1 2 365.905 3.366 20 30 FGEDLO C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000464755218 502083892 /nfs/dbraw/zinc/08/38/92/502083892.db2.gz IUQGROIIWKZMQR-PBHICJAKSA-N 1 2 365.905 3.366 20 30 FGEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000607870503 506293773 /nfs/dbraw/zinc/29/37/73/506293773.db2.gz HTNFNNQVCUWLFB-SFHVURJKSA-N 1 2 352.425 3.153 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000478910936 502119043 /nfs/dbraw/zinc/11/90/43/502119043.db2.gz SANWQSOXXIRYLC-SFHVURJKSA-N 1 2 362.477 3.489 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)cc1 ZINC000464859886 502126537 /nfs/dbraw/zinc/12/65/37/502126537.db2.gz PJNGHPAQTKURGD-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499041 502172926 /nfs/dbraw/zinc/17/29/26/502172926.db2.gz BYWGXYBHDHJRGI-DNVCBOLYSA-N 1 2 366.465 3.227 20 30 FGEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499041 502172931 /nfs/dbraw/zinc/17/29/31/502172931.db2.gz BYWGXYBHDHJRGI-DNVCBOLYSA-N 1 2 366.465 3.227 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662511 506297592 /nfs/dbraw/zinc/29/75/92/506297592.db2.gz AUVCTOJOQKGNQB-PKOBYXMFSA-N 1 2 363.889 3.302 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662511 506297596 /nfs/dbraw/zinc/29/75/96/506297596.db2.gz AUVCTOJOQKGNQB-PKOBYXMFSA-N 1 2 363.889 3.302 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000461795423 502204385 /nfs/dbraw/zinc/20/43/85/502204385.db2.gz LHOWDQARSMGTTJ-AUUYWEPGSA-N 1 2 362.408 3.440 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000486666251 502225030 /nfs/dbraw/zinc/22/50/30/502225030.db2.gz QWTHTVSXDSQQDW-DUXPYHPUSA-N 1 2 363.436 3.445 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000486786946 502261187 /nfs/dbraw/zinc/26/11/87/502261187.db2.gz IKGNFKBFPFNTIT-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000486786946 502261191 /nfs/dbraw/zinc/26/11/91/502261191.db2.gz IKGNFKBFPFNTIT-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@@]1=O ZINC000483443193 502394674 /nfs/dbraw/zinc/39/46/74/502394674.db2.gz RGANSQHLVKLRRX-KQESFQHQSA-N 1 2 368.502 3.479 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@@]1=O ZINC000483443193 502394678 /nfs/dbraw/zinc/39/46/78/502394678.db2.gz RGANSQHLVKLRRX-KQESFQHQSA-N 1 2 368.502 3.479 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000465997825 502449256 /nfs/dbraw/zinc/44/92/56/502449256.db2.gz YDSCMERXDFOFMF-KRWDZBQOSA-N 1 2 354.498 3.354 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CC2 ZINC000611815738 506317140 /nfs/dbraw/zinc/31/71/40/506317140.db2.gz WIBJDYBPVAMEBK-UHFFFAOYSA-N 1 2 374.404 3.298 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469699189 502506711 /nfs/dbraw/zinc/50/67/11/502506711.db2.gz SCEFHPAEAPNCKH-NKGKWGDASA-N 1 2 366.864 3.322 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469699189 502506714 /nfs/dbraw/zinc/50/67/14/502506714.db2.gz SCEFHPAEAPNCKH-NKGKWGDASA-N 1 2 366.864 3.322 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000487909269 502563553 /nfs/dbraw/zinc/56/35/53/502563553.db2.gz BUPCTFSADVXGTP-JOCHJYFZSA-N 1 2 372.472 3.322 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cccs2)CC1 ZINC000466483048 502583844 /nfs/dbraw/zinc/58/38/44/502583844.db2.gz SVEHLXNUINBRLS-ZDUSSCGKSA-N 1 2 374.897 3.422 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000473567421 502639675 /nfs/dbraw/zinc/63/96/75/502639675.db2.gz GXHOGTMJXMALNG-UWJYYQICSA-N 1 2 360.498 3.129 20 30 FGEDLO C=CCCS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000480932396 502708816 /nfs/dbraw/zinc/70/88/16/502708816.db2.gz VDDUFRXBPRIMAG-OAHLLOKOSA-N 1 2 360.882 3.112 20 30 FGEDLO CCOc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463293144 502746933 /nfs/dbraw/zinc/74/69/33/502746933.db2.gz DMJUXJFKISOQPR-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000602882209 506334923 /nfs/dbraw/zinc/33/49/23/506334923.db2.gz SRMZUFSZXZRSPT-SFHVURJKSA-N 1 2 371.872 3.455 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000602882209 506334936 /nfs/dbraw/zinc/33/49/36/506334936.db2.gz SRMZUFSZXZRSPT-SFHVURJKSA-N 1 2 371.872 3.455 20 30 FGEDLO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100264 502821170 /nfs/dbraw/zinc/82/11/70/502821170.db2.gz ZCPHIZANLPPDML-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100264 502821171 /nfs/dbraw/zinc/82/11/71/502821171.db2.gz ZCPHIZANLPPDML-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC(C)(C)CCC#N)CC2)c1 ZINC000513136641 502860909 /nfs/dbraw/zinc/86/09/09/502860909.db2.gz ZJRODNHVVFFDRU-QGZVFWFLSA-N 1 2 372.513 3.413 20 30 FGEDLO COC(=O)C[C@](C)([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000513149793 502863609 /nfs/dbraw/zinc/86/36/09/502863609.db2.gz NBGDJDUSTZAPGL-HNNXBMFYSA-N 1 2 351.244 3.121 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cncc1F ZINC000513235499 502886380 /nfs/dbraw/zinc/88/63/80/502886380.db2.gz BTMGJKHUVOWULG-SECBINFHSA-N 1 2 350.756 3.174 20 30 FGEDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602894372 506341051 /nfs/dbraw/zinc/34/10/51/506341051.db2.gz MIXMUSVBOPYJDJ-AWEZNQCLSA-N 1 2 355.442 3.115 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(F)cc3C#N)[C@H](C)C2)cc1 ZINC000489544708 502982468 /nfs/dbraw/zinc/98/24/68/502982468.db2.gz DGYULOYJUQEUML-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(F)cc3C#N)[C@H](C)C2)cc1 ZINC000489544708 502982469 /nfs/dbraw/zinc/98/24/69/502982469.db2.gz DGYULOYJUQEUML-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667818 502996458 /nfs/dbraw/zinc/99/64/58/502996458.db2.gz WPIFILDKTVQDNH-JTSKRJEESA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1ccc(C)c(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667818 502996464 /nfs/dbraw/zinc/99/64/64/502996464.db2.gz WPIFILDKTVQDNH-JTSKRJEESA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000506113315 503050677 /nfs/dbraw/zinc/05/06/77/503050677.db2.gz RITGZONENAJCMD-UHFFFAOYSA-N 1 2 361.449 3.168 20 30 FGEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc(OC)c1O ZINC000506751862 503165868 /nfs/dbraw/zinc/16/58/68/503165868.db2.gz KFYVRVMKJXGQOT-UHFFFAOYSA-N 1 2 358.413 3.339 20 30 FGEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc(OC)c1O ZINC000506751862 503165869 /nfs/dbraw/zinc/16/58/69/503165869.db2.gz KFYVRVMKJXGQOT-UHFFFAOYSA-N 1 2 358.413 3.339 20 30 FGEDLO CCc1nnc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c(C#N)c1CC ZINC000502355845 503185895 /nfs/dbraw/zinc/18/58/95/503185895.db2.gz BANPTRQGJVLUQO-UHFFFAOYSA-N 1 2 360.465 3.354 20 30 FGEDLO CN(C)c1[nH+]cccc1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000507099033 503231258 /nfs/dbraw/zinc/23/12/58/503231258.db2.gz XZRQOMCCBKLPSM-UHFFFAOYSA-N 1 2 369.375 3.203 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000515068924 503263990 /nfs/dbraw/zinc/26/39/90/503263990.db2.gz DSGGLCPHPFMKEQ-WCQYABFASA-N 1 2 373.438 3.327 20 30 FGEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507307886 503274307 /nfs/dbraw/zinc/27/43/07/503274307.db2.gz WHVKLOAALUKBMT-SFHVURJKSA-N 1 2 362.477 3.122 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(C#N)c1C ZINC000593055206 506361888 /nfs/dbraw/zinc/36/18/88/506361888.db2.gz RFLNHGCNBXCLDX-SNVBAGLBSA-N 1 2 373.350 3.462 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCCCCNc3cccc[nH+]3)CC2)c1 ZINC000511426797 503319805 /nfs/dbraw/zinc/31/98/05/503319805.db2.gz GDTQRKFTWCNUOG-UHFFFAOYSA-N 1 2 352.413 3.132 20 30 FGEDLO Cc1cn2cc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)ccc2[nH+]1 ZINC000503033191 503330290 /nfs/dbraw/zinc/33/02/90/503330290.db2.gz ZFGIPZTZNVGJHO-UHFFFAOYSA-N 1 2 356.389 3.261 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000507786647 503365984 /nfs/dbraw/zinc/36/59/84/503365984.db2.gz ZDQZJJKSRFSHLP-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492718820 503382675 /nfs/dbraw/zinc/38/26/75/503382675.db2.gz CFGVZXKYWNVYIB-HXUWFJFHSA-N 1 2 367.405 3.439 20 30 FGEDLO CCOc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492718820 503382677 /nfs/dbraw/zinc/38/26/77/503382677.db2.gz CFGVZXKYWNVYIB-HXUWFJFHSA-N 1 2 367.405 3.439 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503580924 503441057 /nfs/dbraw/zinc/44/10/57/503441057.db2.gz HJYQGLCKXQWRSW-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC000503580924 503441059 /nfs/dbraw/zinc/44/10/59/503441059.db2.gz HJYQGLCKXQWRSW-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602980645 506372392 /nfs/dbraw/zinc/37/23/92/506372392.db2.gz SQPMACLMPDHTTC-SXLOBPIMSA-N 1 2 355.482 3.373 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602980645 506372393 /nfs/dbraw/zinc/37/23/93/506372393.db2.gz SQPMACLMPDHTTC-SXLOBPIMSA-N 1 2 355.482 3.373 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000512112573 503460572 /nfs/dbraw/zinc/46/05/72/503460572.db2.gz OKQHHBMOBGEMEP-UHFFFAOYSA-N 1 2 366.371 3.001 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000512164701 503472968 /nfs/dbraw/zinc/47/29/68/503472968.db2.gz OUFDSYXBPVGLLX-QGZVFWFLSA-N 1 2 356.466 3.370 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000512164701 503472971 /nfs/dbraw/zinc/47/29/71/503472971.db2.gz OUFDSYXBPVGLLX-QGZVFWFLSA-N 1 2 356.466 3.370 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(CO)o1 ZINC000512195060 503483329 /nfs/dbraw/zinc/48/33/29/503483329.db2.gz JUFLGSBOEAYPIM-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(CO)o1 ZINC000512195060 503483330 /nfs/dbraw/zinc/48/33/30/503483330.db2.gz JUFLGSBOEAYPIM-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000512217565 503489537 /nfs/dbraw/zinc/48/95/37/503489537.db2.gz GGVQGELAOSRURY-QZTJIDSGSA-N 1 2 370.493 3.458 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000512217565 503489540 /nfs/dbraw/zinc/48/95/40/503489540.db2.gz GGVQGELAOSRURY-QZTJIDSGSA-N 1 2 370.493 3.458 20 30 FGEDLO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1-c1cccc(C#N)c1 ZINC000504094464 503521648 /nfs/dbraw/zinc/52/16/48/503521648.db2.gz NYRBWPHTANJYBA-UHFFFAOYSA-N 1 2 368.400 3.490 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000512455842 503557625 /nfs/dbraw/zinc/55/76/25/503557625.db2.gz IZHLAYQJZRILHB-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000512455842 503557628 /nfs/dbraw/zinc/55/76/28/503557628.db2.gz IZHLAYQJZRILHB-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2cccc(C#N)c2F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000512455842 503557629 /nfs/dbraw/zinc/55/76/29/503557629.db2.gz IZHLAYQJZRILHB-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2cccc(C#N)c2F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000512455842 503557631 /nfs/dbraw/zinc/55/76/31/503557631.db2.gz IZHLAYQJZRILHB-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504413325 503570713 /nfs/dbraw/zinc/57/07/13/503570713.db2.gz JGTCXGUXFOZTNH-BBRMVZONSA-N 1 2 364.287 3.204 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512507227 503572500 /nfs/dbraw/zinc/57/25/00/503572500.db2.gz WMJFCRMNKRIBRI-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512507227 503572506 /nfs/dbraw/zinc/57/25/06/503572506.db2.gz WMJFCRMNKRIBRI-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO CSc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)s1 ZINC000516822090 503593921 /nfs/dbraw/zinc/59/39/21/503593921.db2.gz HXMZVYQUYKAUFW-UHFFFAOYSA-N 1 2 350.538 3.429 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000494700974 503595968 /nfs/dbraw/zinc/59/59/68/503595968.db2.gz CJIFJSWMSIUEDI-OAQYLSRUSA-N 1 2 363.461 3.491 20 30 FGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000494700974 503595971 /nfs/dbraw/zinc/59/59/71/503595971.db2.gz CJIFJSWMSIUEDI-OAQYLSRUSA-N 1 2 363.461 3.491 20 30 FGEDLO N#CCCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000543179874 503662423 /nfs/dbraw/zinc/66/24/23/503662423.db2.gz XQIPSYMWQAOXAX-UHFFFAOYSA-N 1 2 369.296 3.167 20 30 FGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000546211798 503672757 /nfs/dbraw/zinc/67/27/57/503672757.db2.gz GAMTUVKPCGEYAK-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000533130909 503740537 /nfs/dbraw/zinc/74/05/37/503740537.db2.gz CAEYLRRHMAZJCR-YESZJQIVSA-N 1 2 370.497 3.452 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000533130909 503740538 /nfs/dbraw/zinc/74/05/38/503740538.db2.gz CAEYLRRHMAZJCR-YESZJQIVSA-N 1 2 370.497 3.452 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1F ZINC000537048005 503788297 /nfs/dbraw/zinc/78/82/97/503788297.db2.gz DKWVMZQDEVAPTP-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1F ZINC000537048005 503788302 /nfs/dbraw/zinc/78/83/02/503788302.db2.gz DKWVMZQDEVAPTP-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1cccc(CC(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000540515230 503802110 /nfs/dbraw/zinc/80/21/10/503802110.db2.gz CEXJVBRGNRBHOO-UHFFFAOYSA-N 1 2 370.456 3.125 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1Cc2c(cccc2OC)C1=O ZINC000530095242 503834094 /nfs/dbraw/zinc/83/40/94/503834094.db2.gz LSIOGUASQHQTCB-UHFFFAOYSA-N 1 2 352.434 3.305 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1Cc2c(cccc2OC)C1=O ZINC000530095242 503834097 /nfs/dbraw/zinc/83/40/97/503834097.db2.gz LSIOGUASQHQTCB-UHFFFAOYSA-N 1 2 352.434 3.305 20 30 FGEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]2C ZINC000543809163 503900982 /nfs/dbraw/zinc/90/09/82/503900982.db2.gz CRVYDDKTRJUNMP-HZPDHXFCSA-N 1 2 355.482 3.345 20 30 FGEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]2C ZINC000543809163 503900985 /nfs/dbraw/zinc/90/09/85/503900985.db2.gz CRVYDDKTRJUNMP-HZPDHXFCSA-N 1 2 355.482 3.345 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000537617873 503976233 /nfs/dbraw/zinc/97/62/33/503976233.db2.gz JKXLYFALSLWKJR-IVCQMTBJSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000537617873 503976239 /nfs/dbraw/zinc/97/62/39/503976239.db2.gz JKXLYFALSLWKJR-IVCQMTBJSA-N 1 2 354.475 3.090 20 30 FGEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(COc3ccccc3C#N)o2)n1 ZINC000547256028 504036226 /nfs/dbraw/zinc/03/62/26/504036226.db2.gz HVHUEMLUIVGBNX-UHFFFAOYSA-N 1 2 361.361 3.105 20 30 FGEDLO Cc1cccn2cc(CNC(=O)CSCc3ccc(C#N)cc3)[nH+]c12 ZINC000518886252 504085319 /nfs/dbraw/zinc/08/53/19/504085319.db2.gz LVGKZWQJLVERRT-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000547417720 504096970 /nfs/dbraw/zinc/09/69/70/504096970.db2.gz WBQLTOYRWQTYMP-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000541350195 504101285 /nfs/dbraw/zinc/10/12/85/504101285.db2.gz KRLHOMBGYQLWQJ-UHFFFAOYSA-N 1 2 358.445 3.192 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000544401399 504119739 /nfs/dbraw/zinc/11/97/39/504119739.db2.gz DKOZAAPOKFIPER-KRWDZBQOSA-N 1 2 350.809 3.465 20 30 FGEDLO C=CCc1ccc(OC[C@H](O)CN(C)c2[nH]c3ccccc3[nH+]2)c(OC)c1 ZINC000534398109 504130453 /nfs/dbraw/zinc/13/04/53/504130453.db2.gz WTXPNBAUIYWVJZ-MRXNPFEDSA-N 1 2 367.449 3.176 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000531142963 504204181 /nfs/dbraw/zinc/20/41/81/504204181.db2.gz NQYNRFXGIAJXEJ-UHFFFAOYSA-N 1 2 372.465 3.351 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C#N)c(C)c1C ZINC000531196391 504222779 /nfs/dbraw/zinc/22/27/79/504222779.db2.gz MKTWCTHWSDECCC-UHFFFAOYSA-N 1 2 369.494 3.100 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c(C)c1C ZINC000531196391 504222782 /nfs/dbraw/zinc/22/27/82/504222782.db2.gz MKTWCTHWSDECCC-UHFFFAOYSA-N 1 2 369.494 3.100 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)n1 ZINC000544931777 504303672 /nfs/dbraw/zinc/30/36/72/504303672.db2.gz VHURUOASPFUQDA-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000531503851 504329069 /nfs/dbraw/zinc/32/90/69/504329069.db2.gz DRKJTIXTSYISGH-KRWDZBQOSA-N 1 2 352.344 3.089 20 30 FGEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000519787116 504337981 /nfs/dbraw/zinc/33/79/81/504337981.db2.gz DVZWKHBLKXPERL-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000519787116 504337983 /nfs/dbraw/zinc/33/79/83/504337983.db2.gz DVZWKHBLKXPERL-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000535211679 504374669 /nfs/dbraw/zinc/37/46/69/504374669.db2.gz PGBQRFMBZHRWQJ-OAHLLOKOSA-N 1 2 372.465 3.289 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000535211679 504374675 /nfs/dbraw/zinc/37/46/75/504374675.db2.gz PGBQRFMBZHRWQJ-OAHLLOKOSA-N 1 2 372.465 3.289 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797804 504386547 /nfs/dbraw/zinc/38/65/47/504386547.db2.gz OWWXDJNLYXUTGQ-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797804 504386553 /nfs/dbraw/zinc/38/65/53/504386553.db2.gz OWWXDJNLYXUTGQ-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO N#CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542252470 504423097 /nfs/dbraw/zinc/42/30/97/504423097.db2.gz IWRBSFSLXJCVIR-OAHLLOKOSA-N 1 2 352.841 3.219 20 30 FGEDLO Cc1c(Cl)cnc(N[C@@H](C[NH+]2CCN(C)CC2)c2ccccc2)c1C#N ZINC000542282508 504438491 /nfs/dbraw/zinc/43/84/91/504438491.db2.gz WGSMCAGIRWFPNP-IBGZPJMESA-N 1 2 369.900 3.316 20 30 FGEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCCCC#N)c1ccccc1Cl ZINC000520517535 504517740 /nfs/dbraw/zinc/51/77/40/504517740.db2.gz YAUALWHXVVRJQB-KRWDZBQOSA-N 1 2 371.934 3.336 20 30 FGEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)c(F)c1 ZINC000539324045 504530608 /nfs/dbraw/zinc/53/06/08/504530608.db2.gz GMHFXVACBSNUER-SFHVURJKSA-N 1 2 360.360 3.100 20 30 FGEDLO N#CCC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000542878050 504643109 /nfs/dbraw/zinc/64/31/09/504643109.db2.gz AZZCDHCULUJMOE-UHFFFAOYSA-N 1 2 354.479 3.199 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)n1 ZINC000529543823 504723189 /nfs/dbraw/zinc/72/31/89/504723189.db2.gz QTYXSYDANFUPEH-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540038272 504763402 /nfs/dbraw/zinc/76/34/02/504763402.db2.gz RKVKADRTFKPMDO-UHFFFAOYSA-N 1 2 370.334 3.068 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C#N ZINC000559358042 504846342 /nfs/dbraw/zinc/84/63/42/504846342.db2.gz YGPFAQFNTVPDNR-FQEVSTJZSA-N 1 2 350.418 3.091 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C#N ZINC000559358042 504846349 /nfs/dbraw/zinc/84/63/49/504846349.db2.gz YGPFAQFNTVPDNR-FQEVSTJZSA-N 1 2 350.418 3.091 20 30 FGEDLO CCOC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H](C)c1ccccc1 ZINC000556599520 504915594 /nfs/dbraw/zinc/91/55/94/504915594.db2.gz VFVUCNZETHYYDX-INIZCTEOSA-N 1 2 362.433 3.332 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccccc3I)n2c1 ZINC000556598448 504915643 /nfs/dbraw/zinc/91/56/43/504915643.db2.gz OIKJENZCADWSEO-UHFFFAOYSA-N 1 2 374.185 3.423 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000559779533 504927666 /nfs/dbraw/zinc/92/76/66/504927666.db2.gz LQZAFOHBRPVERC-INIZCTEOSA-N 1 2 366.303 3.406 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000559779533 504927667 /nfs/dbraw/zinc/92/76/67/504927667.db2.gz LQZAFOHBRPVERC-INIZCTEOSA-N 1 2 366.303 3.406 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000562860956 504967197 /nfs/dbraw/zinc/96/71/97/504967197.db2.gz CWLMKIDQAHUQDE-VXKWHMMOSA-N 1 2 374.488 3.189 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000563005288 505017692 /nfs/dbraw/zinc/01/76/92/505017692.db2.gz QHUQMCMNEYALKN-QGZVFWFLSA-N 1 2 370.409 3.005 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000563005288 505017696 /nfs/dbraw/zinc/01/76/96/505017696.db2.gz QHUQMCMNEYALKN-QGZVFWFLSA-N 1 2 370.409 3.005 20 30 FGEDLO N#Cc1ncn(CC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)n1 ZINC000556923680 505018420 /nfs/dbraw/zinc/01/84/20/505018420.db2.gz MBKRYSLKAYNQMZ-SFHVURJKSA-N 1 2 373.794 3.461 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000560593930 505137002 /nfs/dbraw/zinc/13/70/02/505137002.db2.gz SGDPMGZWPCEAMY-UHFFFAOYSA-N 1 2 368.868 3.182 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000557607290 505181689 /nfs/dbraw/zinc/18/16/89/505181689.db2.gz RSELKOIXMFNFQQ-UHFFFAOYSA-N 1 2 364.453 3.263 20 30 FGEDLO C[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000561113568 505254143 /nfs/dbraw/zinc/25/41/43/505254143.db2.gz LZBDWJXVAIOTLN-RISCZKNCSA-N 1 2 350.344 3.205 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccccc1Br ZINC000558061105 505298732 /nfs/dbraw/zinc/29/87/32/505298732.db2.gz CQBORBWKDAXNPY-CQSZACIVSA-N 1 2 366.303 3.279 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccccc1Br ZINC000558061105 505298734 /nfs/dbraw/zinc/29/87/34/505298734.db2.gz CQBORBWKDAXNPY-CQSZACIVSA-N 1 2 366.303 3.279 20 30 FGEDLO N#Cc1ccc(C[C@H](C#N)c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000564222693 505356457 /nfs/dbraw/zinc/35/64/57/505356457.db2.gz GCYZCZGPYYLVQW-MRXNPFEDSA-N 1 2 354.373 3.030 20 30 FGEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555249002 505390863 /nfs/dbraw/zinc/39/08/63/505390863.db2.gz CLVBEYFNQFJKRE-UHFFFAOYSA-N 1 2 374.492 3.238 20 30 FGEDLO N#Cc1cccc(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000567223703 505399526 /nfs/dbraw/zinc/39/95/26/505399526.db2.gz VHRQTZXIJJERPG-FQEVSTJZSA-N 1 2 365.502 3.007 20 30 FGEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555289087 505400033 /nfs/dbraw/zinc/40/00/33/505400033.db2.gz IZHKPRIMKITZLN-KRWDZBQOSA-N 1 2 354.502 3.085 20 30 FGEDLO CCc1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000564416697 505414068 /nfs/dbraw/zinc/41/40/68/505414068.db2.gz BEIGYNLAFODXRS-UHFFFAOYSA-N 1 2 352.467 3.167 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000564527157 505442135 /nfs/dbraw/zinc/44/21/35/505442135.db2.gz IZZORXZPTGVSHC-UHFFFAOYSA-N 1 2 356.491 3.200 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cc1c(F)cccc1C#N)CCCC2 ZINC000552506956 505504998 /nfs/dbraw/zinc/50/49/98/505504998.db2.gz UCKZYTVFJWQJJS-IBGZPJMESA-N 1 2 366.440 3.216 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596449257 506410957 /nfs/dbraw/zinc/41/09/57/506410957.db2.gz AYJLFBATDGKJET-UHFFFAOYSA-N 1 2 366.469 3.432 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4ccccc4F)n3)C2)nc1 ZINC000599429700 506452161 /nfs/dbraw/zinc/45/21/61/506452161.db2.gz QMQJXDBSFMVUOL-MRXNPFEDSA-N 1 2 364.380 3.401 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4ccccc4F)n3)C2)nc1 ZINC000599429700 506452165 /nfs/dbraw/zinc/45/21/65/506452165.db2.gz QMQJXDBSFMVUOL-MRXNPFEDSA-N 1 2 364.380 3.401 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2c1 ZINC000612158483 506465743 /nfs/dbraw/zinc/46/57/43/506465743.db2.gz MAKXOTYQLHVOLF-JOCHJYFZSA-N 1 2 365.477 3.432 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@](C)(C#N)C3)ccc2c1 ZINC000612158483 506465747 /nfs/dbraw/zinc/46/57/47/506465747.db2.gz MAKXOTYQLHVOLF-JOCHJYFZSA-N 1 2 365.477 3.432 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000612160467 506467361 /nfs/dbraw/zinc/46/73/61/506467361.db2.gz JAFYGMHMQVRERD-IBGZPJMESA-N 1 2 355.511 3.320 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000612160467 506467365 /nfs/dbraw/zinc/46/73/65/506467365.db2.gz JAFYGMHMQVRERD-IBGZPJMESA-N 1 2 355.511 3.320 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(O)cc(C#N)c2)c(C)c1 ZINC000589193979 506477421 /nfs/dbraw/zinc/47/74/21/506477421.db2.gz NFIVDWDZIAIGOZ-HXUWFJFHSA-N 1 2 360.417 3.249 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1cn2cccc(C)c2[nH+]1 ZINC000603324862 506484775 /nfs/dbraw/zinc/48/47/75/506484775.db2.gz IGXJNJPMYYAZQB-UHFFFAOYSA-N 1 2 350.422 3.290 20 30 FGEDLO CN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603436181 506513362 /nfs/dbraw/zinc/51/33/62/506513362.db2.gz MTPUMRXQKRARAA-RRQGHBQHSA-N 1 2 355.417 3.362 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccccc1 ZINC000608395058 506540744 /nfs/dbraw/zinc/54/07/44/506540744.db2.gz DNHXFPGGVYCDMI-HXUWFJFHSA-N 1 2 358.445 3.055 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@H](CC#N)C2)C[C@@H](C)O1 ZINC000596695780 506543721 /nfs/dbraw/zinc/54/37/21/506543721.db2.gz BNJLDQQRSBXIRZ-KZNAEPCWSA-N 1 2 370.497 3.453 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589454883 506553577 /nfs/dbraw/zinc/55/35/77/506553577.db2.gz AXADVAQQYFYUMD-UHFFFAOYSA-N 1 2 359.433 3.343 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000599677232 506573039 /nfs/dbraw/zinc/57/30/39/506573039.db2.gz INVKXTXXAFBIHT-OAQYLSRUSA-N 1 2 363.436 3.445 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000599677232 506573043 /nfs/dbraw/zinc/57/30/43/506573043.db2.gz INVKXTXXAFBIHT-OAQYLSRUSA-N 1 2 363.436 3.445 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000599677892 506574507 /nfs/dbraw/zinc/57/45/07/506574507.db2.gz RFPFJVPBXIBOMU-OAQYLSRUSA-N 1 2 363.436 3.270 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000599677892 506574515 /nfs/dbraw/zinc/57/45/15/506574515.db2.gz RFPFJVPBXIBOMU-OAQYLSRUSA-N 1 2 363.436 3.270 20 30 FGEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679580 506575156 /nfs/dbraw/zinc/57/51/56/506575156.db2.gz UZHYESFPRJKEPS-UHFFFAOYSA-N 1 2 367.415 3.158 20 30 FGEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679580 506575161 /nfs/dbraw/zinc/57/51/61/506575161.db2.gz UZHYESFPRJKEPS-UHFFFAOYSA-N 1 2 367.415 3.158 20 30 FGEDLO C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680900 506576111 /nfs/dbraw/zinc/57/61/11/506576111.db2.gz JPBJFJUHTVHOPI-MOPGFXCFSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680900 506576118 /nfs/dbraw/zinc/57/61/18/506576118.db2.gz JPBJFJUHTVHOPI-MOPGFXCFSA-N 1 2 374.431 3.496 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC2(CCC2)O1 ZINC000583083592 506581268 /nfs/dbraw/zinc/58/12/68/506581268.db2.gz XHALOOAAAQYBRJ-INIZCTEOSA-N 1 2 351.450 3.381 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC2(CCC2)O1 ZINC000583083592 506581272 /nfs/dbraw/zinc/58/12/72/506581272.db2.gz XHALOOAAAQYBRJ-INIZCTEOSA-N 1 2 351.450 3.381 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)CC2(C#N)CCCCC2)[NH+]2CCOCC2)cc1 ZINC000596865714 506644677 /nfs/dbraw/zinc/64/46/77/506644677.db2.gz GAZAEDYQFPTXQJ-FQEVSTJZSA-N 1 2 369.509 3.349 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC3(C#N)CCOCC3)n2)C1 ZINC000596896304 506663540 /nfs/dbraw/zinc/66/35/40/506663540.db2.gz YLHDTTUHQVEQFM-AWEZNQCLSA-N 1 2 362.499 3.024 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3(C#N)CCOCC3)n2)C1 ZINC000596896304 506663550 /nfs/dbraw/zinc/66/35/50/506663550.db2.gz YLHDTTUHQVEQFM-AWEZNQCLSA-N 1 2 362.499 3.024 20 30 FGEDLO CCCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000589990982 506697361 /nfs/dbraw/zinc/69/73/61/506697361.db2.gz XPIYVRQUEVIVLN-GOSISDBHSA-N 1 2 356.445 3.457 20 30 FGEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCCC2)c(Br)c1 ZINC000593654621 506715838 /nfs/dbraw/zinc/71/58/38/506715838.db2.gz LETLKHMTGCFKIB-UHFFFAOYSA-N 1 2 351.244 3.409 20 30 FGEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)ccc3OC(F)F)[nH+]c12 ZINC000609067228 506770252 /nfs/dbraw/zinc/77/02/52/506770252.db2.gz RUJUAHZJCVCQOL-UHFFFAOYSA-N 1 2 356.332 3.297 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000597157622 506804669 /nfs/dbraw/zinc/80/46/69/506804669.db2.gz PLZURAYBSACVGV-QXAKKESOSA-N 1 2 356.466 3.078 20 30 FGEDLO CN1CC[NH+]([C@H](CNC(=O)CC2(C#N)CCCCC2)c2cccs2)CC1 ZINC000597217769 506841882 /nfs/dbraw/zinc/84/18/82/506841882.db2.gz COHXIEPTMTTYSQ-QGZVFWFLSA-N 1 2 374.554 3.017 20 30 FGEDLO C[C@@]1(C(F)F)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000597253024 506862335 /nfs/dbraw/zinc/86/23/35/506862335.db2.gz WSDNUQFIFMIRLD-IBGZPJMESA-N 1 2 360.408 3.320 20 30 FGEDLO C[C@@]1(C(F)F)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000597253024 506862343 /nfs/dbraw/zinc/86/23/43/506862343.db2.gz WSDNUQFIFMIRLD-IBGZPJMESA-N 1 2 360.408 3.320 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000594010937 506881095 /nfs/dbraw/zinc/88/10/95/506881095.db2.gz YBFPFYIPCXHSFO-INIZCTEOSA-N 1 2 367.428 3.325 20 30 FGEDLO N#Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000609530169 506909726 /nfs/dbraw/zinc/90/97/26/506909726.db2.gz XWMUYGSLKWKWPY-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000609530169 506909731 /nfs/dbraw/zinc/90/97/31/506909731.db2.gz XWMUYGSLKWKWPY-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Br ZINC000609593702 506936898 /nfs/dbraw/zinc/93/68/98/506936898.db2.gz DSBNISATAUGIFL-AWEZNQCLSA-N 1 2 355.195 3.091 20 30 FGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000590754930 506938867 /nfs/dbraw/zinc/93/88/67/506938867.db2.gz SZPHNRJIZCNEJI-ZDUSSCGKSA-N 1 2 354.479 3.271 20 30 FGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000590754930 506938872 /nfs/dbraw/zinc/93/88/72/506938872.db2.gz SZPHNRJIZCNEJI-ZDUSSCGKSA-N 1 2 354.479 3.271 20 30 FGEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000597456331 506962051 /nfs/dbraw/zinc/96/20/51/506962051.db2.gz AYLKFVMSSXSUKS-ZDUSSCGKSA-N 1 2 354.281 3.230 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000609657116 506963686 /nfs/dbraw/zinc/96/36/86/506963686.db2.gz QONRVUNHZOVTIB-UHFFFAOYSA-N 1 2 362.458 3.294 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1c(F)cccc1F ZINC000594222266 507020095 /nfs/dbraw/zinc/02/00/95/507020095.db2.gz JROJFRZEHCAOGH-GOSISDBHSA-N 1 2 370.403 3.165 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccccc4F)CC3)CC2)cc1 ZINC000609873442 507032524 /nfs/dbraw/zinc/03/25/24/507032524.db2.gz RIGNSZLQODFUBN-UHFFFAOYSA-N 1 2 363.436 3.073 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000609893560 507041759 /nfs/dbraw/zinc/04/17/59/507041759.db2.gz ZNXIGFVWQCABKS-CRAIPNDOSA-N 1 2 374.916 3.029 20 30 FGEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000609921282 507049758 /nfs/dbraw/zinc/04/97/58/507049758.db2.gz GETGVLLATSZVAH-CZUORRHYSA-N 1 2 364.287 3.204 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000613417651 507077894 /nfs/dbraw/zinc/07/78/94/507077894.db2.gz DXGHUZOYFYRQTE-UHFFFAOYSA-N 1 2 350.466 3.279 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)NC1(c2cccc(C#N)c2)CC1)C(F)(F)F ZINC000584122544 507165174 /nfs/dbraw/zinc/16/51/74/507165174.db2.gz VLXYLIMJCJFYHU-AWEZNQCLSA-N 1 2 362.355 3.133 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304382 507185289 /nfs/dbraw/zinc/18/52/89/507185289.db2.gz XOGWUCTXQYKFPH-LPHOPBHVSA-N 1 2 374.444 3.159 20 30 FGEDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000610363908 507213281 /nfs/dbraw/zinc/21/32/81/507213281.db2.gz IJFRDXGUTDGRMF-CYBMUJFWSA-N 1 2 361.361 3.143 20 30 FGEDLO COc1cc(NCc2ccc(C3(C#N)CC3)cc2)[nH+]cc1Br ZINC000594734668 507260484 /nfs/dbraw/zinc/26/04/84/507260484.db2.gz CQMFLVYDILYOTI-UHFFFAOYSA-N 1 2 358.239 3.442 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)o2)cc1 ZINC000610582719 507303585 /nfs/dbraw/zinc/30/35/85/507303585.db2.gz QZWIECGMIVESSZ-LJQANCHMSA-N 1 2 370.416 3.336 20 30 FGEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCSCC3)c1)CCC2 ZINC000601240078 507307035 /nfs/dbraw/zinc/30/70/35/507307035.db2.gz FWZVLXDNEPIVND-UHFFFAOYSA-N 1 2 351.479 3.002 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000598250978 507343818 /nfs/dbraw/zinc/34/38/18/507343818.db2.gz YTDLMRRMOABJED-UHFFFAOYSA-N 1 2 374.444 3.039 20 30 FGEDLO N#CC1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCCCC1 ZINC000598307117 507369208 /nfs/dbraw/zinc/36/92/08/507369208.db2.gz GMWITHCDQXIOQS-SFHVURJKSA-N 1 2 357.523 3.367 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1C#N ZINC000614223007 507412565 /nfs/dbraw/zinc/41/25/65/507412565.db2.gz ZXGOILIVOPRSOZ-UHFFFAOYSA-N 1 2 350.466 3.445 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOCC3(CCCC3)C2)c1C#N ZINC000614223007 507412570 /nfs/dbraw/zinc/41/25/70/507412570.db2.gz ZXGOILIVOPRSOZ-UHFFFAOYSA-N 1 2 350.466 3.445 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991218 507470941 /nfs/dbraw/zinc/47/09/41/507470941.db2.gz FABOUQDJDYHZAB-OAHLLOKOSA-N 1 2 363.490 3.442 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158042 507514083 /nfs/dbraw/zinc/51/40/83/507514083.db2.gz VIXPLOWOKFAFSU-HNNXBMFYSA-N 1 2 371.481 3.329 20 30 FGEDLO N#CCCCOc1cccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598677594 507549446 /nfs/dbraw/zinc/54/94/46/507549446.db2.gz POGLBFDELFICDO-HXUWFJFHSA-N 1 2 370.474 3.128 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260269 507587250 /nfs/dbraw/zinc/58/72/50/507587250.db2.gz PBILHXPWNYBSIM-UHFFFAOYSA-N 1 2 364.449 3.311 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000611348272 507633932 /nfs/dbraw/zinc/63/39/32/507633932.db2.gz TVKYVVKLLJXWPS-UHFFFAOYSA-N 1 2 350.466 3.443 20 30 FGEDLO N#CCSCCC[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000595762532 507672863 /nfs/dbraw/zinc/67/28/63/507672863.db2.gz ZOKIWTPSXIUZAH-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000595762532 507672871 /nfs/dbraw/zinc/67/28/71/507672871.db2.gz ZOKIWTPSXIUZAH-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000586796948 507675460 /nfs/dbraw/zinc/67/54/60/507675460.db2.gz JUBKESCHHVUTLM-UHFFFAOYSA-N 1 2 364.449 3.075 20 30 FGEDLO CN(CCO)c1ccc(NC2CCC(C#N)(c3ccccc3)CC2)[nH+]c1 ZINC000611442544 507683578 /nfs/dbraw/zinc/68/35/78/507683578.db2.gz NBCLKTHNWUTUFB-UHFFFAOYSA-N 1 2 350.466 3.326 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1O ZINC000586875399 507701360 /nfs/dbraw/zinc/70/13/60/507701360.db2.gz DUKLJAJVJDSLJU-SFHVURJKSA-N 1 2 361.401 3.118 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000611551116 507734106 /nfs/dbraw/zinc/73/41/06/507734106.db2.gz NEJGKSDODXGCRM-LJQANCHMSA-N 1 2 357.404 3.226 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1F ZINC000611552378 507735884 /nfs/dbraw/zinc/73/58/84/507735884.db2.gz XKDPVCSADLATLE-LJQANCHMSA-N 1 2 357.404 3.356 20 30 FGEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cc3cc(F)ccc3s2)c1C#N ZINC000517504726 562091404 /nfs/dbraw/zinc/09/14/04/562091404.db2.gz BNOFDMNLJAQUOX-UHFFFAOYSA-N 1 2 357.414 3.039 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000054230507 695938338 /nfs/dbraw/zinc/93/83/38/695938338.db2.gz ORNLOKLGUIMEEC-UHFFFAOYSA-N 1 2 361.829 3.241 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000195594113 713559486 /nfs/dbraw/zinc/55/94/86/713559486.db2.gz BZTAMJSDRJHFEV-UHFFFAOYSA-N 1 2 362.813 3.151 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245588067 713607778 /nfs/dbraw/zinc/60/77/78/713607778.db2.gz KDUQWJMZJGDEFX-DLBZAZTESA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245588067 713607780 /nfs/dbraw/zinc/60/77/80/713607780.db2.gz KDUQWJMZJGDEFX-DLBZAZTESA-N 1 2 351.853 3.327 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCCOC4)n2)C1 ZINC000329682418 713831782 /nfs/dbraw/zinc/83/17/82/713831782.db2.gz YQIZCIWKRNSTTG-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCCOC4)n2)C1 ZINC000329682418 713831787 /nfs/dbraw/zinc/83/17/87/713831787.db2.gz YQIZCIWKRNSTTG-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cs1)C1CC1 ZINC000618741100 714773273 /nfs/dbraw/zinc/77/32/73/714773273.db2.gz AEAAMCVCGKCRFG-GOSISDBHSA-N 1 2 352.463 3.307 20 30 FGEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000779793037 724427373 /nfs/dbraw/zinc/42/73/73/724427373.db2.gz QRXHZRAMDVFKAW-VIFPVBQESA-N 1 2 365.268 3.149 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCSC[C@H]2CCO)cc1OC ZINC000628189740 716123032 /nfs/dbraw/zinc/12/30/32/716123032.db2.gz LVTHHLSVBUBENU-CQSZACIVSA-N 1 2 357.903 3.213 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCSC[C@H]2CCO)cc1OC ZINC000628189740 716123036 /nfs/dbraw/zinc/12/30/36/716123036.db2.gz LVTHHLSVBUBENU-CQSZACIVSA-N 1 2 357.903 3.213 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)nc1 ZINC000780556478 724479114 /nfs/dbraw/zinc/47/91/14/724479114.db2.gz YWHDULWHNXFWLI-UHFFFAOYSA-N 1 2 350.403 3.095 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804940798 724567186 /nfs/dbraw/zinc/56/71/86/724567186.db2.gz YEVSQPNNCIBAAS-OTWHNJEPSA-N 1 2 353.551 3.488 20 30 FGEDLO C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000657036186 719549524 /nfs/dbraw/zinc/54/95/24/719549524.db2.gz AVXMOTDKJHUHPL-FUHWJXTLSA-N 1 2 359.495 3.345 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nc2sccc2c1=O ZINC000782111880 724630261 /nfs/dbraw/zinc/63/02/61/724630261.db2.gz WTNQGLHMUABEFN-UHFFFAOYSA-N 1 2 358.492 3.397 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1Br)[C@@H](C)COC ZINC000661243584 720214800 /nfs/dbraw/zinc/21/48/00/720214800.db2.gz LWFRFNDLRHUYJW-LBPRGKRZSA-N 1 2 358.276 3.489 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1Br)[C@@H](C)COC ZINC000661243584 720214806 /nfs/dbraw/zinc/21/48/06/720214806.db2.gz LWFRFNDLRHUYJW-LBPRGKRZSA-N 1 2 358.276 3.489 20 30 FGEDLO C=CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H](C)COC ZINC000664976904 720718138 /nfs/dbraw/zinc/71/81/38/720718138.db2.gz PGTWOBXMVNPYAT-AWEZNQCLSA-N 1 2 362.861 3.258 20 30 FGEDLO CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783705749 724780182 /nfs/dbraw/zinc/78/01/82/724780182.db2.gz CGJKUOYLFVNTEV-SREVYHEPSA-N 1 2 373.459 3.201 20 30 FGEDLO CCOc1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000784058719 724817613 /nfs/dbraw/zinc/81/76/13/724817613.db2.gz LMJMFCJTDNIICR-UHFFFAOYSA-N 1 2 350.216 3.080 20 30 FGEDLO C[NH+](C)Cc1csc(CNc2cccc(Br)c2C#N)n1 ZINC000722394717 722420264 /nfs/dbraw/zinc/42/02/64/722420264.db2.gz SUCHWSBNOXFHLE-UHFFFAOYSA-N 1 2 351.273 3.451 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)Nc3ccc(Cl)nc3)CC2)cc1 ZINC000727069176 722440791 /nfs/dbraw/zinc/44/07/91/722440791.db2.gz QSQFUMMIUWNVLC-UHFFFAOYSA-N 1 2 371.897 3.121 20 30 FGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)NC(=O)CO2 ZINC000737443211 722526574 /nfs/dbraw/zinc/52/65/74/722526574.db2.gz IOTCCTVBXKGZHR-ARJAWSKDSA-N 1 2 353.765 3.215 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745704605 722589730 /nfs/dbraw/zinc/58/97/30/722589730.db2.gz KSRVGSJPANQZER-OALUTQOASA-N 1 2 353.551 3.489 20 30 FGEDLO FC(F)(F)c1ccccc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755468183 722953633 /nfs/dbraw/zinc/95/36/33/722953633.db2.gz WHEOLUFRTXMDFM-UHFFFAOYSA-N 1 2 356.373 3.445 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000756542329 722966488 /nfs/dbraw/zinc/96/64/88/722966488.db2.gz HMYSDPCJLCDLKH-HNNXBMFYSA-N 1 2 356.447 3.073 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000756542329 722966489 /nfs/dbraw/zinc/96/64/89/722966489.db2.gz HMYSDPCJLCDLKH-HNNXBMFYSA-N 1 2 356.447 3.073 20 30 FGEDLO CC(C)(C)C1CCN([NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)CC1 ZINC000790178713 723111572 /nfs/dbraw/zinc/11/15/72/723111572.db2.gz JGPYOGLCJHQPSY-UHFFFAOYSA-N 1 2 364.925 3.404 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000761581121 723167705 /nfs/dbraw/zinc/16/77/05/723167705.db2.gz JTMMTBVVWYHLJC-INIZCTEOSA-N 1 2 357.841 3.017 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000761581121 723167709 /nfs/dbraw/zinc/16/77/09/723167709.db2.gz JTMMTBVVWYHLJC-INIZCTEOSA-N 1 2 357.841 3.017 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)s1 ZINC000794709984 723542178 /nfs/dbraw/zinc/54/21/78/723542178.db2.gz DWIKEVNSLPWBPV-ONEGZZNKSA-N 1 2 365.505 3.207 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796557045 723643580 /nfs/dbraw/zinc/64/35/80/723643580.db2.gz BBXQQNIYWCNWDJ-AEFFLSMTSA-N 1 2 350.846 3.012 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796557045 723643581 /nfs/dbraw/zinc/64/35/81/723643581.db2.gz BBXQQNIYWCNWDJ-AEFFLSMTSA-N 1 2 350.846 3.012 20 30 FGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[C@H]1CCSC1 ZINC000773983065 723845947 /nfs/dbraw/zinc/84/59/47/723845947.db2.gz FIMHZHBCWUNVIJ-RYUDHWBXSA-N 1 2 364.421 3.045 20 30 FGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[C@H]1CCSC1 ZINC000773983065 723845951 /nfs/dbraw/zinc/84/59/51/723845951.db2.gz FIMHZHBCWUNVIJ-RYUDHWBXSA-N 1 2 364.421 3.045 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192571 723997605 /nfs/dbraw/zinc/99/76/05/723997605.db2.gz ZYDVWJQNMZEOCG-HNNXBMFYSA-N 1 2 352.463 3.125 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192571 723997608 /nfs/dbraw/zinc/99/76/08/723997608.db2.gz ZYDVWJQNMZEOCG-HNNXBMFYSA-N 1 2 352.463 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776262097 724125391 /nfs/dbraw/zinc/12/53/91/724125391.db2.gz ZADWWLUWCIKPGA-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776262097 724125394 /nfs/dbraw/zinc/12/53/94/724125394.db2.gz ZADWWLUWCIKPGA-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO Cl/C=C\CO[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000811671402 725376277 /nfs/dbraw/zinc/37/62/77/725376277.db2.gz FEGVMQQELWVTJW-NPKLEFMYSA-N 1 2 359.651 3.389 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822700960 729211431 /nfs/dbraw/zinc/21/14/31/729211431.db2.gz JNRUHZKRNITUNJ-LBPRGKRZSA-N 1 2 355.269 3.130 20 30 FGEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000825017559 729367971 /nfs/dbraw/zinc/36/79/71/729367971.db2.gz UQVNDDQJRQYQMJ-IUODEOHRSA-N 1 2 360.255 3.453 20 30 FGEDLO C#CC[C@@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000826873051 729417653 /nfs/dbraw/zinc/41/76/53/729417653.db2.gz FKYPQUBVCOMIEV-OAHLLOKOSA-N 1 2 356.857 3.471 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798800 729513101 /nfs/dbraw/zinc/51/31/01/729513101.db2.gz FHYSVJNWBQGXNW-ZJUUUORDSA-N 1 2 360.326 3.444 20 30 FGEDLO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798800 729513105 /nfs/dbraw/zinc/51/31/05/729513105.db2.gz FHYSVJNWBQGXNW-ZJUUUORDSA-N 1 2 360.326 3.444 20 30 FGEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425818 730619317 /nfs/dbraw/zinc/61/93/17/730619317.db2.gz WZMHQFGHPWFESL-KRWDZBQOSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425818 730619318 /nfs/dbraw/zinc/61/93/18/730619318.db2.gz WZMHQFGHPWFESL-KRWDZBQOSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366286 730708170 /nfs/dbraw/zinc/70/81/70/730708170.db2.gz LZNRHASZLKKFJE-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366286 730708173 /nfs/dbraw/zinc/70/81/73/730708173.db2.gz LZNRHASZLKKFJE-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343468 731048203 /nfs/dbraw/zinc/04/82/03/731048203.db2.gz VFUKXXRLWBWPOY-FSPWUOQZSA-N 1 2 363.864 3.279 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343468 731048205 /nfs/dbraw/zinc/04/82/05/731048205.db2.gz VFUKXXRLWBWPOY-FSPWUOQZSA-N 1 2 363.864 3.279 20 30 FGEDLO CSc1cc(Br)ccc1C=NNCCCn1cc[nH+]c1 ZINC000848418933 731162334 /nfs/dbraw/zinc/16/23/34/731162334.db2.gz SJLHDEVQLIVKBB-UHFFFAOYSA-N 1 2 353.289 3.381 20 30 FGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333517 731571000 /nfs/dbraw/zinc/57/10/00/731571000.db2.gz OEMZATURGHHYGW-QUCCMNQESA-N 1 2 355.869 3.196 20 30 FGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333517 731571002 /nfs/dbraw/zinc/57/10/02/731571002.db2.gz OEMZATURGHHYGW-QUCCMNQESA-N 1 2 355.869 3.196 20 30 FGEDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866340646 733337735 /nfs/dbraw/zinc/33/77/35/733337735.db2.gz GZUDQIACUPEKNL-CABCVRRESA-N 1 2 358.463 3.085 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876736163 736137770 /nfs/dbraw/zinc/13/77/70/736137770.db2.gz SDUBFSVXYWSCAS-SWLSCSKDSA-N 1 2 364.877 3.342 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876736163 736137772 /nfs/dbraw/zinc/13/77/72/736137772.db2.gz SDUBFSVXYWSCAS-SWLSCSKDSA-N 1 2 364.877 3.342 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2ccccc2Br)CC1 ZINC000878310828 736804064 /nfs/dbraw/zinc/80/40/64/736804064.db2.gz SKJOQBSAUSJZLZ-KRWDZBQOSA-N 1 2 350.304 3.157 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158076 736962045 /nfs/dbraw/zinc/96/20/45/736962045.db2.gz RNNBLLWEEJVFIF-SFHVURJKSA-N 1 2 362.861 3.360 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)CCC1 ZINC000886271177 739237749 /nfs/dbraw/zinc/23/77/49/739237749.db2.gz ZLYBJVFIZMRNDD-ZDUSSCGKSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)CCC1 ZINC000886271177 739237754 /nfs/dbraw/zinc/23/77/54/739237754.db2.gz ZLYBJVFIZMRNDD-ZDUSSCGKSA-N 1 2 365.271 3.088 20 30 FGEDLO Cc1csc(C[C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000886693597 739285875 /nfs/dbraw/zinc/28/58/75/739285875.db2.gz FBVJDCCIUPGEQR-ZDUSSCGKSA-N 1 2 360.508 3.278 20 30 FGEDLO Cc1csc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000886693597 739285876 /nfs/dbraw/zinc/28/58/76/739285876.db2.gz FBVJDCCIUPGEQR-ZDUSSCGKSA-N 1 2 360.508 3.278 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897616363 742696121 /nfs/dbraw/zinc/69/61/21/742696121.db2.gz OPFWZVWWGCKVMX-NSHDSACASA-N 1 2 367.762 3.405 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897616363 742696123 /nfs/dbraw/zinc/69/61/23/742696123.db2.gz OPFWZVWWGCKVMX-NSHDSACASA-N 1 2 367.762 3.405 20 30 FGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000901476293 743287627 /nfs/dbraw/zinc/28/76/27/743287627.db2.gz BYHPKXOTLAFMMM-YVMONPNESA-N 1 2 368.405 3.399 20 30 FGEDLO CN(CCO)c1ccc(C=[NH+]NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000916285409 758064397 /nfs/dbraw/zinc/06/43/97/758064397.db2.gz JDLURWBHKBZTQG-UHFFFAOYSA-N 1 2 362.886 3.089 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358238 761144775 /nfs/dbraw/zinc/14/47/75/761144775.db2.gz KRRNNGDVZAPSEB-PBHICJAKSA-N 1 2 356.495 3.182 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652422 761446592 /nfs/dbraw/zinc/44/65/92/761446592.db2.gz IHHKIFKJXJKGCI-CQSZACIVSA-N 1 2 362.857 3.313 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775033 761471097 /nfs/dbraw/zinc/47/10/97/761471097.db2.gz INAOHHMKVWNNSM-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775033 761471101 /nfs/dbraw/zinc/47/11/01/761471101.db2.gz INAOHHMKVWNNSM-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)c(C)c1 ZINC000933775773 761472381 /nfs/dbraw/zinc/47/23/81/761472381.db2.gz SRIUNGFZJDUACQ-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)c(C)c1 ZINC000933775773 761472386 /nfs/dbraw/zinc/47/23/86/761472386.db2.gz SRIUNGFZJDUACQ-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000981989449 763543168 /nfs/dbraw/zinc/54/31/68/763543168.db2.gz DIZANNGPOOBDAI-CABCVRRESA-N 1 2 354.903 3.027 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000981989449 763543178 /nfs/dbraw/zinc/54/31/78/763543178.db2.gz DIZANNGPOOBDAI-CABCVRRESA-N 1 2 354.903 3.027 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001003649027 765391572 /nfs/dbraw/zinc/39/15/72/765391572.db2.gz DCRSILHUMWMIEE-KDOFPFPSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027969588 766108188 /nfs/dbraw/zinc/10/81/88/766108188.db2.gz QHJJRZDBYYDZHT-QLFBSQMISA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027969588 766108190 /nfs/dbraw/zinc/10/81/90/766108190.db2.gz QHJJRZDBYYDZHT-QLFBSQMISA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033984094 766230853 /nfs/dbraw/zinc/23/08/53/766230853.db2.gz IQDKJRNOTBTSCY-OWCLPIDISA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033984094 766230854 /nfs/dbraw/zinc/23/08/54/766230854.db2.gz IQDKJRNOTBTSCY-OWCLPIDISA-N 1 2 355.320 3.254 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001034212793 766232706 /nfs/dbraw/zinc/23/27/06/766232706.db2.gz MWYPOGJJRRDZKL-YFTAOEDBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001034212793 766232707 /nfs/dbraw/zinc/23/27/07/766232707.db2.gz MWYPOGJJRRDZKL-YFTAOEDBSA-N 1 2 361.313 3.257 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccsc2)s1 ZINC001038412157 766275052 /nfs/dbraw/zinc/27/50/52/766275052.db2.gz UJJFHJZLIISODV-XOKHGSTOSA-N 1 2 357.504 3.175 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2ccsc2)s1 ZINC001038412157 766275055 /nfs/dbraw/zinc/27/50/55/766275055.db2.gz UJJFHJZLIISODV-XOKHGSTOSA-N 1 2 357.504 3.175 20 30 FGEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)O2 ZINC001053649542 766992696 /nfs/dbraw/zinc/99/26/96/766992696.db2.gz OPZMVHUWZDAUJO-BFHYXJOUSA-N 1 2 366.914 3.041 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537374 505571123 /nfs/dbraw/zinc/57/11/23/505571123.db2.gz GYHNOAODGZDBHG-IIYDPXPESA-N 1 2 354.372 3.345 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537374 505571124 /nfs/dbraw/zinc/57/11/24/505571124.db2.gz GYHNOAODGZDBHG-IIYDPXPESA-N 1 2 354.372 3.345 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000568081503 505612102 /nfs/dbraw/zinc/61/21/02/505612102.db2.gz NJXJFJDXSFIBBP-MSOLQXFVSA-N 1 2 352.438 3.351 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCCC(=O)C3)CC2)cc1 ZINC000570994053 505628125 /nfs/dbraw/zinc/62/81/25/505628125.db2.gz KOQQXJFSYOXMMS-FQEVSTJZSA-N 1 2 367.493 3.132 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCCC(=O)C3)CC2)cc1 ZINC000570994053 505628126 /nfs/dbraw/zinc/62/81/26/505628126.db2.gz KOQQXJFSYOXMMS-FQEVSTJZSA-N 1 2 367.493 3.132 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000568328025 505667524 /nfs/dbraw/zinc/66/75/24/505667524.db2.gz CHXJYULMAPECQX-GHMZBOCLSA-N 1 2 373.482 3.258 20 30 FGEDLO N#Cc1ccc(NCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000068350743 493802197 /nfs/dbraw/zinc/80/21/97/493802197.db2.gz DGIVJHQTSHLZMZ-UHFFFAOYSA-N 1 2 355.467 3.051 20 30 FGEDLO COc1cc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)ccc1OC(F)F ZINC000057906885 493814313 /nfs/dbraw/zinc/81/43/13/493814313.db2.gz IFHKRTSVUKLJRE-UHFFFAOYSA-N 1 2 364.352 3.082 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000076342555 493870754 /nfs/dbraw/zinc/87/07/54/493870754.db2.gz GUFCYVHKUZTSOL-HNNXBMFYSA-N 1 2 366.446 3.014 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000076342555 493870759 /nfs/dbraw/zinc/87/07/59/493870759.db2.gz GUFCYVHKUZTSOL-HNNXBMFYSA-N 1 2 366.446 3.014 20 30 FGEDLO CO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076346385 493871142 /nfs/dbraw/zinc/87/11/42/493871142.db2.gz KJBFGGRRXJMAEE-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076346385 493871146 /nfs/dbraw/zinc/87/11/46/493871146.db2.gz KJBFGGRRXJMAEE-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C ZINC000060561689 493945265 /nfs/dbraw/zinc/94/52/65/493945265.db2.gz SMTUGRNQGZMZIG-OAHLLOKOSA-N 1 2 352.438 3.481 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000069369470 493964385 /nfs/dbraw/zinc/96/43/85/493964385.db2.gz DWKCHWZEYHWTBC-UHFFFAOYSA-N 1 2 373.500 3.324 20 30 FGEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000051905657 493993215 /nfs/dbraw/zinc/99/32/15/493993215.db2.gz FDLHWQCESRTLRO-UHFFFAOYSA-N 1 2 363.461 3.327 20 30 FGEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2n1C ZINC000083577615 494023612 /nfs/dbraw/zinc/02/36/12/494023612.db2.gz BNTFVFUPBPYYMY-UHFFFAOYSA-N 1 2 360.826 3.208 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000063299998 494042289 /nfs/dbraw/zinc/04/22/89/494042289.db2.gz JXPSJKFKJAROTL-UHFFFAOYSA-N 1 2 369.415 3.183 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000063299998 494042294 /nfs/dbraw/zinc/04/22/94/494042294.db2.gz JXPSJKFKJAROTL-UHFFFAOYSA-N 1 2 369.415 3.183 20 30 FGEDLO CC(C)COC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000054325275 494221663 /nfs/dbraw/zinc/22/16/63/494221663.db2.gz NZSZCCZDMPGASK-UHFFFAOYSA-N 1 2 361.511 3.378 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccc(C#N)cc3)cn2c1 ZINC000042399632 494222433 /nfs/dbraw/zinc/22/24/33/494222433.db2.gz NXKATDYJIXPHJJ-UHFFFAOYSA-N 1 2 364.474 3.406 20 30 FGEDLO COc1cc(NC(=O)CC[N@H+](CC#N)C2CCCC2)c(OC)cc1Cl ZINC000072666997 494230016 /nfs/dbraw/zinc/23/00/16/494230016.db2.gz BCHHKMBAFYGOEK-UHFFFAOYSA-N 1 2 365.861 3.454 20 30 FGEDLO COc1cc(NC(=O)CC[N@@H+](CC#N)C2CCCC2)c(OC)cc1Cl ZINC000072666997 494230021 /nfs/dbraw/zinc/23/00/21/494230021.db2.gz BCHHKMBAFYGOEK-UHFFFAOYSA-N 1 2 365.861 3.454 20 30 FGEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524297 494245732 /nfs/dbraw/zinc/24/57/32/494245732.db2.gz QTQHMNJEERQGHD-GOSISDBHSA-N 1 2 367.449 3.011 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000078256023 494264285 /nfs/dbraw/zinc/26/42/85/494264285.db2.gz GHUAYLXATYJKLM-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)nc12 ZINC000072898206 494278091 /nfs/dbraw/zinc/27/80/91/494278091.db2.gz WAFOYRFWDUDILQ-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)nc12 ZINC000072898206 494278096 /nfs/dbraw/zinc/27/80/96/494278096.db2.gz WAFOYRFWDUDILQ-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1nnc(-c2cccc(C#N)c2)n1Cc1[nH+]ccn1Cc1ccccc1 ZINC000072921074 494284159 /nfs/dbraw/zinc/28/41/59/494284159.db2.gz DBYDWPKCMSHPMZ-UHFFFAOYSA-N 1 2 354.417 3.418 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)CC2CC2)C[C@H](C)O1 ZINC000078492405 494306771 /nfs/dbraw/zinc/30/67/71/494306771.db2.gz WDJSPVKFFDOHHT-IRXDYDNUSA-N 1 2 370.497 3.453 20 30 FGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000078519411 494312514 /nfs/dbraw/zinc/31/25/14/494312514.db2.gz WIBJOQGZBNGQJJ-INIZCTEOSA-N 1 2 353.466 3.499 20 30 FGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000078519411 494312515 /nfs/dbraw/zinc/31/25/15/494312515.db2.gz WIBJOQGZBNGQJJ-INIZCTEOSA-N 1 2 353.466 3.499 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541399 494352579 /nfs/dbraw/zinc/35/25/79/494352579.db2.gz FYSUSZKQOPMEAP-UTKZUKDTSA-N 1 2 350.466 3.111 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541399 494352582 /nfs/dbraw/zinc/35/25/82/494352582.db2.gz FYSUSZKQOPMEAP-UTKZUKDTSA-N 1 2 350.466 3.111 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000016395786 494388831 /nfs/dbraw/zinc/38/88/31/494388831.db2.gz FGVZIYYDDLKQOT-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000016395786 494388836 /nfs/dbraw/zinc/38/88/36/494388836.db2.gz FGVZIYYDDLKQOT-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c[nH+]1 ZINC000079182286 494414868 /nfs/dbraw/zinc/41/48/68/494414868.db2.gz QRYWKMBNDJGHNS-UHFFFAOYSA-N 1 2 351.454 3.141 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000017842916 494418024 /nfs/dbraw/zinc/41/80/24/494418024.db2.gz HSONKLNIYRUMGK-UHFFFAOYSA-N 1 2 371.387 3.118 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3ccc4ccccc43)CC2)cc1 ZINC000017844073 494418295 /nfs/dbraw/zinc/41/82/95/494418295.db2.gz PLHIDENYHTWKFV-UHFFFAOYSA-N 1 2 372.472 3.247 20 30 FGEDLO N#CCSc1cccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000079432783 494452769 /nfs/dbraw/zinc/45/27/69/494452769.db2.gz FYVQCOFRWACAEE-UHFFFAOYSA-N 1 2 367.474 3.387 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000046171443 494500473 /nfs/dbraw/zinc/50/04/73/494500473.db2.gz GEEGBPLFSRBXSY-NHYWBVRUSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000046171443 494500475 /nfs/dbraw/zinc/50/04/75/494500475.db2.gz GEEGBPLFSRBXSY-NHYWBVRUSA-N 1 2 372.332 3.385 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1C#N ZINC000074351584 494523142 /nfs/dbraw/zinc/52/31/42/494523142.db2.gz QEISPXIFSLCAMA-UHFFFAOYSA-N 1 2 368.462 3.229 20 30 FGEDLO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258325 494558408 /nfs/dbraw/zinc/55/84/08/494558408.db2.gz KDGFIMZKNVMZAL-SFHVURJKSA-N 1 2 362.477 3.012 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000092361751 494605406 /nfs/dbraw/zinc/60/54/06/494605406.db2.gz LBMZXQHDNRUNLZ-ZDUSSCGKSA-N 1 2 351.365 3.020 20 30 FGEDLO C=CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000092361751 494605411 /nfs/dbraw/zinc/60/54/11/494605411.db2.gz LBMZXQHDNRUNLZ-ZDUSSCGKSA-N 1 2 351.365 3.020 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115843806 494638176 /nfs/dbraw/zinc/63/81/76/494638176.db2.gz AXAFBZMNQPMRRL-SFHVURJKSA-N 1 2 372.419 3.281 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000057385019 494729219 /nfs/dbraw/zinc/72/92/19/494729219.db2.gz KWVWXHZOILSYGO-UHFFFAOYSA-N 1 2 355.482 3.204 20 30 FGEDLO COc1ccccc1CC(=O)N1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000121492268 494779976 /nfs/dbraw/zinc/77/99/76/494779976.db2.gz XDYTVOQISRSLKN-PXLXIMEGSA-N 1 2 352.434 3.053 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc(OC)c1O ZINC000092102868 494790850 /nfs/dbraw/zinc/79/08/50/494790850.db2.gz MYYHESKDFWJGSG-ZDUSSCGKSA-N 1 2 358.404 3.198 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc(OC)c1O ZINC000092102868 494790854 /nfs/dbraw/zinc/79/08/54/494790854.db2.gz MYYHESKDFWJGSG-ZDUSSCGKSA-N 1 2 358.404 3.198 20 30 FGEDLO C=CC[N@H+](CCOc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000108871167 494796131 /nfs/dbraw/zinc/79/61/31/494796131.db2.gz RLAWNRSVXNATHK-ZDUSSCGKSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000108871167 494796128 /nfs/dbraw/zinc/79/61/28/494796128.db2.gz RLAWNRSVXNATHK-ZDUSSCGKSA-N 1 2 364.294 3.047 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000026669753 494833402 /nfs/dbraw/zinc/83/34/02/494833402.db2.gz YDTHXIJECUIBJX-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000026669753 494833405 /nfs/dbraw/zinc/83/34/05/494833405.db2.gz YDTHXIJECUIBJX-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000026669753 494833410 /nfs/dbraw/zinc/83/34/10/494833410.db2.gz YDTHXIJECUIBJX-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000026669753 494833413 /nfs/dbraw/zinc/83/34/13/494833413.db2.gz YDTHXIJECUIBJX-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121728361 494846446 /nfs/dbraw/zinc/84/64/46/494846446.db2.gz NRSFOMSWDKWGAD-CYBMUJFWSA-N 1 2 359.476 3.357 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121728361 494846450 /nfs/dbraw/zinc/84/64/50/494846450.db2.gz NRSFOMSWDKWGAD-CYBMUJFWSA-N 1 2 359.476 3.357 20 30 FGEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132522179 494887193 /nfs/dbraw/zinc/88/71/93/494887193.db2.gz XXUCUYVRQDHUEB-UHFFFAOYSA-N 1 2 368.437 3.007 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000109768679 494916150 /nfs/dbraw/zinc/91/61/50/494916150.db2.gz SITCNHTWJMYGAQ-FQEVSTJZSA-N 1 2 366.486 3.377 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000109768679 494916154 /nfs/dbraw/zinc/91/61/54/494916154.db2.gz SITCNHTWJMYGAQ-FQEVSTJZSA-N 1 2 366.486 3.377 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000133070696 494964547 /nfs/dbraw/zinc/96/45/47/494964547.db2.gz QIYQKCWMZPSDLL-UHFFFAOYSA-N 1 2 373.478 3.440 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000127619119 494970839 /nfs/dbraw/zinc/97/08/39/494970839.db2.gz GQJLQTYHLWHONP-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)cc1F ZINC000122580325 494997876 /nfs/dbraw/zinc/99/78/76/494997876.db2.gz GRGMAARTLHCMKI-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110980395 495027767 /nfs/dbraw/zinc/02/77/67/495027767.db2.gz WSYNSUPMJBGRNZ-MRXNPFEDSA-N 1 2 355.388 3.231 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110980395 495027769 /nfs/dbraw/zinc/02/77/69/495027769.db2.gz WSYNSUPMJBGRNZ-MRXNPFEDSA-N 1 2 355.388 3.231 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000122973965 495062182 /nfs/dbraw/zinc/06/21/82/495062182.db2.gz ATMMUXGJAKSKSD-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554679 495076582 /nfs/dbraw/zinc/07/65/82/495076582.db2.gz AMYCADADKLYMLU-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000111514856 495084726 /nfs/dbraw/zinc/08/47/26/495084726.db2.gz XGPVYBVEESXXPI-UHFFFAOYSA-N 1 2 371.506 3.340 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000119356352 495149966 /nfs/dbraw/zinc/14/99/66/495149966.db2.gz PLNSPZPISJLERU-GOSISDBHSA-N 1 2 368.506 3.006 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128802633 495152230 /nfs/dbraw/zinc/15/22/30/495152230.db2.gz CEAYDNHODSQHQQ-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO COc1cccc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3OC)CCO2)c1 ZINC000119453644 495170508 /nfs/dbraw/zinc/17/05/08/495170508.db2.gz IZPMYLSSRIZLIS-NRFANRHFSA-N 1 2 368.433 3.028 20 30 FGEDLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3OC)CCO2)c1 ZINC000119453644 495170510 /nfs/dbraw/zinc/17/05/10/495170510.db2.gz IZPMYLSSRIZLIS-NRFANRHFSA-N 1 2 368.433 3.028 20 30 FGEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000112637023 495215898 /nfs/dbraw/zinc/21/58/98/495215898.db2.gz VJHOXDMTICIANW-GOSISDBHSA-N 1 2 357.523 3.428 20 30 FGEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000112637023 495215900 /nfs/dbraw/zinc/21/59/00/495215900.db2.gz VJHOXDMTICIANW-GOSISDBHSA-N 1 2 357.523 3.428 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cn2ccccc12 ZINC000124473738 495293346 /nfs/dbraw/zinc/29/33/46/495293346.db2.gz ZXENVINFJWMQQH-UHFFFAOYSA-N 1 2 374.473 3.138 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)c1 ZINC000104715370 495300518 /nfs/dbraw/zinc/30/05/18/495300518.db2.gz CIHGAVKZDADMSS-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO C=CCNc1ncc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)s1 ZINC000136114963 495357605 /nfs/dbraw/zinc/35/76/05/495357605.db2.gz JYXFHZJYYUKFQH-UHFFFAOYSA-N 1 2 355.467 3.219 20 30 FGEDLO CC(C)Oc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000120592527 495412496 /nfs/dbraw/zinc/41/24/96/495412496.db2.gz GQTUMTXOWDKCFK-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO CC(C)Oc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000120592527 495412501 /nfs/dbraw/zinc/41/25/01/495412501.db2.gz GQTUMTXOWDKCFK-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131217652 495507747 /nfs/dbraw/zinc/50/77/47/495507747.db2.gz GZQDVZHWRBKLGQ-IRXDYDNUSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131217652 495507750 /nfs/dbraw/zinc/50/77/50/495507750.db2.gz GZQDVZHWRBKLGQ-IRXDYDNUSA-N 1 2 364.852 3.169 20 30 FGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(F)c(C#N)c1 ZINC000121049605 495512861 /nfs/dbraw/zinc/51/28/61/495512861.db2.gz MVHOEOHZNMSZOC-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(F)c(C#N)c1 ZINC000121049605 495512867 /nfs/dbraw/zinc/51/28/67/495512867.db2.gz MVHOEOHZNMSZOC-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000131281966 495516741 /nfs/dbraw/zinc/51/67/41/495516741.db2.gz PWHGWBRZHGVDEE-UHFFFAOYSA-N 1 2 354.454 3.276 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170645274 495545392 /nfs/dbraw/zinc/54/53/92/495545392.db2.gz NTUVXOHKOWATJT-INIZCTEOSA-N 1 2 364.449 3.236 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170645274 495545396 /nfs/dbraw/zinc/54/53/96/495545396.db2.gz NTUVXOHKOWATJT-INIZCTEOSA-N 1 2 364.449 3.236 20 30 FGEDLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000173476146 495548644 /nfs/dbraw/zinc/54/86/44/495548644.db2.gz KBPONWHVDMUUOY-KRWDZBQOSA-N 1 2 354.479 3.461 20 30 FGEDLO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000173476146 495548647 /nfs/dbraw/zinc/54/86/47/495548647.db2.gz KBPONWHVDMUUOY-KRWDZBQOSA-N 1 2 354.479 3.461 20 30 FGEDLO CC(C)(C)C1CCC(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CC1 ZINC000580581564 505791062 /nfs/dbraw/zinc/79/10/62/505791062.db2.gz JNODCLNLQUWGHZ-UHFFFAOYSA-N 1 2 371.525 3.405 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)c(C#N)c1C ZINC000185499590 495600414 /nfs/dbraw/zinc/60/04/14/495600414.db2.gz MEKBJAZABWJYGZ-UHFFFAOYSA-N 1 2 369.490 3.159 20 30 FGEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1Cl ZINC000159157163 495671936 /nfs/dbraw/zinc/67/19/36/495671936.db2.gz GRAQZBZLPHYJMQ-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000173871701 495726264 /nfs/dbraw/zinc/72/62/64/495726264.db2.gz AJZHBMOSYIYXBT-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000171230966 495779775 /nfs/dbraw/zinc/77/97/75/495779775.db2.gz XDPZUJGFQULGKM-UHFFFAOYSA-N 1 2 361.352 3.178 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159694924 495789813 /nfs/dbraw/zinc/78/98/13/495789813.db2.gz MGXHVEUGNDGRSU-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000155063979 495821334 /nfs/dbraw/zinc/82/13/34/495821334.db2.gz FCPXPFVXROWEPL-UHFFFAOYSA-N 1 2 374.444 3.496 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)s1 ZINC000151599217 495890578 /nfs/dbraw/zinc/89/05/78/495890578.db2.gz SUWLBHASPWVRPN-SFHVURJKSA-N 1 2 369.490 3.226 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CCC(C)(C)C#N)c(C)c1 ZINC000568934636 505811932 /nfs/dbraw/zinc/81/19/32/505811932.db2.gz PUFBRWBQJCVVRK-SFHVURJKSA-N 1 2 374.510 3.101 20 30 FGEDLO Cc1cc(C[NH+]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)on1 ZINC000177239697 495989549 /nfs/dbraw/zinc/98/95/49/495989549.db2.gz FGFSRLSXGQFIQL-UHFFFAOYSA-N 1 2 363.383 3.171 20 30 FGEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)cc1Cl ZINC000155637947 496020788 /nfs/dbraw/zinc/02/07/88/496020788.db2.gz KCJKDNKKUZWMOT-UHFFFAOYSA-N 1 2 369.852 3.191 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC000160700922 496023294 /nfs/dbraw/zinc/02/32/94/496023294.db2.gz PRVDBJSSUDTXKG-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)C1(C#N)CCCCC1 ZINC000177392910 496043943 /nfs/dbraw/zinc/04/39/43/496043943.db2.gz IWHZIARZOZIFKX-MRXNPFEDSA-N 1 2 373.522 3.470 20 30 FGEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)C1(C#N)CCCCC1 ZINC000177392910 496043949 /nfs/dbraw/zinc/04/39/49/496043949.db2.gz IWHZIARZOZIFKX-MRXNPFEDSA-N 1 2 373.522 3.470 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OC)c(C#N)c3)n2)c1 ZINC000174655421 496048233 /nfs/dbraw/zinc/04/82/33/496048233.db2.gz MJHYGEGOEIAENU-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO COc1cc(C[NH2+]C[C@H](C)C#N)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000183816412 496126086 /nfs/dbraw/zinc/12/60/86/496126086.db2.gz RFZUFOJAKZQVCA-CQSZACIVSA-N 1 2 355.394 3.432 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000152400172 496139154 /nfs/dbraw/zinc/13/91/54/496139154.db2.gz LRPUACHTXVQBSF-UHFFFAOYSA-N 1 2 361.367 3.154 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C3)cs1 ZINC000180883992 496184569 /nfs/dbraw/zinc/18/45/69/496184569.db2.gz DFVBRBDJHCZEKB-LBPRGKRZSA-N 1 2 374.535 3.299 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C3)cs1 ZINC000180883992 496184573 /nfs/dbraw/zinc/18/45/73/496184573.db2.gz DFVBRBDJHCZEKB-LBPRGKRZSA-N 1 2 374.535 3.299 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186923863 496214084 /nfs/dbraw/zinc/21/40/84/496214084.db2.gz DMEXDPXIBFNWRV-AUUYWEPGSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1C#N ZINC000186923863 496214090 /nfs/dbraw/zinc/21/40/90/496214090.db2.gz DMEXDPXIBFNWRV-AUUYWEPGSA-N 1 2 372.513 3.123 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)nc1 ZINC000175118069 496253614 /nfs/dbraw/zinc/25/36/14/496253614.db2.gz FNILQBDETZLCCV-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CCNC(=O)C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000181124737 496279005 /nfs/dbraw/zinc/27/90/05/496279005.db2.gz GIHFUPJHDGENMN-UHFFFAOYSA-N 1 2 355.385 3.221 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000181162523 496294159 /nfs/dbraw/zinc/29/41/59/496294159.db2.gz XEABJIMYULMPMW-SFHVURJKSA-N 1 2 359.267 3.430 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153153373 496368540 /nfs/dbraw/zinc/36/85/40/496368540.db2.gz MWJZPZBFSZTDNW-SFHVURJKSA-N 1 2 366.465 3.067 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)c1C ZINC000178693383 496543220 /nfs/dbraw/zinc/54/32/20/496543220.db2.gz LYIICBMNJKNIJQ-UHFFFAOYSA-N 1 2 367.449 3.395 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000163855548 496565461 /nfs/dbraw/zinc/56/54/61/496565461.db2.gz OLNWSYHYCMGPHW-QGZVFWFLSA-N 1 2 353.491 3.188 20 30 FGEDLO CC(C)c1ccc([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000157846367 496568661 /nfs/dbraw/zinc/56/86/61/496568661.db2.gz GUAYONKIPNKWHH-LJQANCHMSA-N 1 2 371.525 3.378 20 30 FGEDLO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000178781789 496568700 /nfs/dbraw/zinc/56/87/00/496568700.db2.gz COFPZXAXNRAETI-INIZCTEOSA-N 1 2 355.442 3.324 20 30 FGEDLO N#CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000184888801 496571815 /nfs/dbraw/zinc/57/18/15/496571815.db2.gz KNRFSJIOYXDYGR-FQEVSTJZSA-N 1 2 353.853 3.487 20 30 FGEDLO COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000165309505 496654830 /nfs/dbraw/zinc/65/48/30/496654830.db2.gz ULRYOEZKLIPQLN-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO N#Cc1ccc(F)cc1CN1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000158255047 496661974 /nfs/dbraw/zinc/66/19/74/496661974.db2.gz HRSZMGXPPHYBKG-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO N#Cc1ccc(F)cc1CN1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000158255047 496661980 /nfs/dbraw/zinc/66/19/80/496661980.db2.gz HRSZMGXPPHYBKG-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000165856561 496670262 /nfs/dbraw/zinc/67/02/62/496670262.db2.gz JPNWSUARJPEOBO-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191344638 496732389 /nfs/dbraw/zinc/73/23/89/496732389.db2.gz BBKCZECEMXWFJB-HXUWFJFHSA-N 1 2 351.450 3.036 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191344638 496732392 /nfs/dbraw/zinc/73/23/92/496732392.db2.gz BBKCZECEMXWFJB-HXUWFJFHSA-N 1 2 351.450 3.036 20 30 FGEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1nccn1CC(F)(F)F ZINC000268686985 496759729 /nfs/dbraw/zinc/75/97/29/496759729.db2.gz NVXRDSNGQZUJKL-UHFFFAOYSA-N 1 2 352.360 3.218 20 30 FGEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1nccn1CC(F)(F)F ZINC000268686985 496759732 /nfs/dbraw/zinc/75/97/32/496759732.db2.gz NVXRDSNGQZUJKL-UHFFFAOYSA-N 1 2 352.360 3.218 20 30 FGEDLO CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)C(F)(F)F ZINC000191840584 496907906 /nfs/dbraw/zinc/90/79/06/496907906.db2.gz LKLNJEBADYJMAV-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)C(F)(F)F ZINC000191840584 496907909 /nfs/dbraw/zinc/90/79/09/496907909.db2.gz LKLNJEBADYJMAV-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000191814082 496898916 /nfs/dbraw/zinc/89/89/16/496898916.db2.gz BINJWMZTPIBWGT-SFHVURJKSA-N 1 2 357.251 3.412 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000191814082 496898920 /nfs/dbraw/zinc/89/89/20/496898920.db2.gz BINJWMZTPIBWGT-SFHVURJKSA-N 1 2 357.251 3.412 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)C(F)(F)F ZINC000189493447 497137539 /nfs/dbraw/zinc/13/75/39/497137539.db2.gz NURGSXAFZHCOON-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)C(F)(F)F ZINC000189493447 497137541 /nfs/dbraw/zinc/13/75/41/497137541.db2.gz NURGSXAFZHCOON-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000278601984 497163603 /nfs/dbraw/zinc/16/36/03/497163603.db2.gz FRRCZOLHOMDGMI-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000278601984 497163607 /nfs/dbraw/zinc/16/36/07/497163607.db2.gz FRRCZOLHOMDGMI-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643878 497173342 /nfs/dbraw/zinc/17/33/42/497173342.db2.gz QUSZXXQBYSFKAG-LFDOHDQPSA-N 1 2 372.469 3.346 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643878 497173348 /nfs/dbraw/zinc/17/33/48/497173348.db2.gz QUSZXXQBYSFKAG-LFDOHDQPSA-N 1 2 372.469 3.346 20 30 FGEDLO N#Cc1nnc2ccccc2c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000265770888 497180033 /nfs/dbraw/zinc/18/00/33/497180033.db2.gz IWNGPWSGMZCIGL-QGZVFWFLSA-N 1 2 365.462 3.048 20 30 FGEDLO Cc1nc(Cl)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000278907504 497262508 /nfs/dbraw/zinc/26/25/08/497262508.db2.gz GWJPBLAZLOHTLJ-UHFFFAOYSA-N 1 2 369.856 3.265 20 30 FGEDLO Cc1ccc([C@H]2OCCC[C@@H]2C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 ZINC000266309502 497301230 /nfs/dbraw/zinc/30/12/30/497301230.db2.gz DREMEWJTOXGVMX-BWABGXRHSA-N 1 2 354.450 3.483 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cnc4ccccc43)c[nH+]2)CCO1 ZINC000266335060 497308361 /nfs/dbraw/zinc/30/83/61/497308361.db2.gz HMGYZMZUGHGIBP-OAHLLOKOSA-N 1 2 359.433 3.339 20 30 FGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000193134301 497310580 /nfs/dbraw/zinc/31/05/80/497310580.db2.gz NEYSDVDZZVPEMK-UHFFFAOYSA-N 1 2 360.417 3.442 20 30 FGEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000275466282 497335397 /nfs/dbraw/zinc/33/53/97/497335397.db2.gz AEKWKOHGJBYIHI-IBGZPJMESA-N 1 2 370.497 3.062 20 30 FGEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000275466282 497335402 /nfs/dbraw/zinc/33/54/02/497335402.db2.gz AEKWKOHGJBYIHI-IBGZPJMESA-N 1 2 370.497 3.062 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000266723695 497406067 /nfs/dbraw/zinc/40/60/67/497406067.db2.gz INTDHNSOOWGTAR-HNNXBMFYSA-N 1 2 361.511 3.256 20 30 FGEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nccn1C(F)F ZINC000279380483 497423216 /nfs/dbraw/zinc/42/32/16/497423216.db2.gz KBXMEIGTXCHPOB-UHFFFAOYSA-N 1 2 371.395 3.082 20 30 FGEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nccn1C(F)F ZINC000279380483 497423223 /nfs/dbraw/zinc/42/32/23/497423223.db2.gz KBXMEIGTXCHPOB-UHFFFAOYSA-N 1 2 371.395 3.082 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000275766053 497425694 /nfs/dbraw/zinc/42/56/94/497425694.db2.gz RWRQKIZNKAOMGA-KRWDZBQOSA-N 1 2 366.490 3.141 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000275766053 497425698 /nfs/dbraw/zinc/42/56/98/497425698.db2.gz RWRQKIZNKAOMGA-KRWDZBQOSA-N 1 2 366.490 3.141 20 30 FGEDLO COc1ccc([C@@H](CNCc2nc(C#N)cs2)[NH+]2CCCCC2)cc1 ZINC000575030530 505907823 /nfs/dbraw/zinc/90/78/23/505907823.db2.gz IAYOKEJGLOFFNE-GOSISDBHSA-N 1 2 356.495 3.340 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c2[nH+]ccn21 ZINC000575091927 505918387 /nfs/dbraw/zinc/91/83/87/505918387.db2.gz FCXOLKMDFCUPBG-SWLSCSKDSA-N 1 2 362.355 3.259 20 30 FGEDLO C=C(C)COc1cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950196 497644706 /nfs/dbraw/zinc/64/47/06/497644706.db2.gz SXMXSIPCCKQUPX-KRWDZBQOSA-N 1 2 373.474 3.268 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000272512376 497648664 /nfs/dbraw/zinc/64/86/64/497648664.db2.gz GFWQZUJRXCJETR-MRXNPFEDSA-N 1 2 353.422 3.108 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000272512376 497648667 /nfs/dbraw/zinc/64/86/67/497648667.db2.gz GFWQZUJRXCJETR-MRXNPFEDSA-N 1 2 353.422 3.108 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCC2)O1 ZINC000190971396 497666087 /nfs/dbraw/zinc/66/60/87/497666087.db2.gz WPCFGKWJPORBFG-UHFFFAOYSA-N 1 2 355.482 3.357 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCC2)O1 ZINC000190971396 497666093 /nfs/dbraw/zinc/66/60/93/497666093.db2.gz WPCFGKWJPORBFG-UHFFFAOYSA-N 1 2 355.482 3.357 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000272570974 497666663 /nfs/dbraw/zinc/66/66/63/497666663.db2.gz NBDQZVNXVMKMGT-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000191150407 497725055 /nfs/dbraw/zinc/72/50/55/497725055.db2.gz YQTYYNNCSGOQBB-OAQYLSRUSA-N 1 2 363.509 3.309 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683944 497808456 /nfs/dbraw/zinc/80/84/56/497808456.db2.gz IQZWZJLQASRWDX-LIRRHRJNSA-N 1 2 367.449 3.341 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683944 497808457 /nfs/dbraw/zinc/80/84/57/497808457.db2.gz IQZWZJLQASRWDX-LIRRHRJNSA-N 1 2 367.449 3.341 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683934 497808597 /nfs/dbraw/zinc/80/85/97/497808597.db2.gz IQZWZJLQASRWDX-IFXJQAMLSA-N 1 2 367.449 3.341 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683934 497808599 /nfs/dbraw/zinc/80/85/99/497808599.db2.gz IQZWZJLQASRWDX-IFXJQAMLSA-N 1 2 367.449 3.341 20 30 FGEDLO CN(C)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)[nH+]cc1Br ZINC000333975133 497835208 /nfs/dbraw/zinc/83/52/08/497835208.db2.gz YDWNSXJBZSTQQI-MRXNPFEDSA-N 1 2 363.259 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000292037074 497851412 /nfs/dbraw/zinc/85/14/12/497851412.db2.gz AAIFCJYPCPQLIV-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000292037074 497851416 /nfs/dbraw/zinc/85/14/16/497851416.db2.gz AAIFCJYPCPQLIV-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(OC(F)F)c1 ZINC000569442573 505936386 /nfs/dbraw/zinc/93/63/86/505936386.db2.gz XFJSXPCQOGJKKI-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO CN1CCc2ccc(C(=O)N[C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000329636442 497852525 /nfs/dbraw/zinc/85/25/25/497852525.db2.gz YDOWDTRCQKMNHG-INIZCTEOSA-N 1 2 352.482 3.493 20 30 FGEDLO O=C(NCc1nc2ccccc2n1C1CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329798481 497906078 /nfs/dbraw/zinc/90/60/78/497906078.db2.gz XNNMJBLERMRRIK-UHFFFAOYSA-N 1 2 354.454 3.083 20 30 FGEDLO Cc1nn(C(C)C)cc1CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329811761 497911155 /nfs/dbraw/zinc/91/11/55/497911155.db2.gz CBNDWJFOTAOWBJ-QGZVFWFLSA-N 1 2 361.534 3.178 20 30 FGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329811761 497911161 /nfs/dbraw/zinc/91/11/61/497911161.db2.gz CBNDWJFOTAOWBJ-QGZVFWFLSA-N 1 2 361.534 3.178 20 30 FGEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000575233537 505947580 /nfs/dbraw/zinc/94/75/80/505947580.db2.gz KSMRZRPWGZWLSA-UHFFFAOYSA-N 1 2 359.905 3.392 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H](C2CC2)O1 ZINC000329912214 497949635 /nfs/dbraw/zinc/94/96/35/497949635.db2.gz OFEYTSADEWWOAY-MAUKXSAKSA-N 1 2 358.486 3.159 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H](C2CC2)O1 ZINC000329912214 497949639 /nfs/dbraw/zinc/94/96/39/497949639.db2.gz OFEYTSADEWWOAY-MAUKXSAKSA-N 1 2 358.486 3.159 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329933920 497959562 /nfs/dbraw/zinc/95/95/62/497959562.db2.gz JLVSBMHSJUEKLE-FUHWJXTLSA-N 1 2 355.486 3.382 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC(=O)N1 ZINC000329951826 497966125 /nfs/dbraw/zinc/96/61/25/497966125.db2.gz CTLYYGJMKGNBKO-RFGFWPKPSA-N 1 2 353.463 3.372 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC(=O)N1 ZINC000329951826 497966131 /nfs/dbraw/zinc/96/61/31/497966131.db2.gz CTLYYGJMKGNBKO-RFGFWPKPSA-N 1 2 353.463 3.372 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329975961 497977544 /nfs/dbraw/zinc/97/75/44/497977544.db2.gz YHGRMCMWAUTWFD-GOSISDBHSA-N 1 2 369.513 3.289 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329983079 497980445 /nfs/dbraw/zinc/98/04/45/497980445.db2.gz AVEDQNPNOCTORN-IEBWSBKVSA-N 1 2 369.513 3.250 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC(C)(C)C2CCCCC2)CCN1C ZINC000329986021 497981048 /nfs/dbraw/zinc/98/10/48/497981048.db2.gz DWDFLRFDLTUJQJ-QGZVFWFLSA-N 1 2 361.534 3.229 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000581319061 505960377 /nfs/dbraw/zinc/96/03/77/505960377.db2.gz PSOLVNXFKOFHOA-LBPRGKRZSA-N 1 2 365.359 3.398 20 30 FGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000330040293 498001103 /nfs/dbraw/zinc/00/11/03/498001103.db2.gz CIVLGCZMZOKCRB-IKGGRYGDSA-N 1 2 359.518 3.112 20 30 FGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330040293 498001111 /nfs/dbraw/zinc/00/11/11/498001111.db2.gz CIVLGCZMZOKCRB-IKGGRYGDSA-N 1 2 359.518 3.112 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000364525381 498002844 /nfs/dbraw/zinc/00/28/44/498002844.db2.gz VFEOETGJEMMPOF-OAHLLOKOSA-N 1 2 365.462 3.245 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000364525381 498002847 /nfs/dbraw/zinc/00/28/47/498002847.db2.gz VFEOETGJEMMPOF-OAHLLOKOSA-N 1 2 365.462 3.245 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCO[C@H](C2CC2)C1 ZINC000330111257 498025969 /nfs/dbraw/zinc/02/59/69/498025969.db2.gz AYCLYQPFGLBLSK-IBGZPJMESA-N 1 2 364.449 3.258 20 30 FGEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330233232 498071712 /nfs/dbraw/zinc/07/17/12/498071712.db2.gz FWVIRWJEBSYQQU-AWEZNQCLSA-N 1 2 374.510 3.426 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 ZINC000364685643 498089308 /nfs/dbraw/zinc/08/93/08/498089308.db2.gz MBDJUWBXEVXQAR-UHFFFAOYSA-N 1 2 372.428 3.298 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ncc(C(C)(C)C)s2)CCO1 ZINC000330343300 498112207 /nfs/dbraw/zinc/11/22/07/498112207.db2.gz BVIASVJDRLKAOK-YPMHNXCESA-N 1 2 363.487 3.420 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650698 498160147 /nfs/dbraw/zinc/16/01/47/498160147.db2.gz PEAJZMCJEPDHFN-CYBMUJFWSA-N 1 2 369.856 3.061 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650698 498160153 /nfs/dbraw/zinc/16/01/53/498160153.db2.gz PEAJZMCJEPDHFN-CYBMUJFWSA-N 1 2 369.856 3.061 20 30 FGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281464331 498160924 /nfs/dbraw/zinc/16/09/24/498160924.db2.gz OADRIMNBPVLBKS-INIZCTEOSA-N 1 2 364.449 3.011 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000285693103 498173779 /nfs/dbraw/zinc/17/37/79/498173779.db2.gz NVNRXULTUWSAPY-UONOGXRCSA-N 1 2 358.392 3.346 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527692 498183055 /nfs/dbraw/zinc/18/30/55/498183055.db2.gz ZTWNXHSFGOJDSX-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527692 498183063 /nfs/dbraw/zinc/18/30/63/498183063.db2.gz ZTWNXHSFGOJDSX-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO Cc1cc(NC(=O)NCC(=O)NC(C)(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330773759 498191657 /nfs/dbraw/zinc/19/16/57/498191657.db2.gz FWTKSFKXXKQONL-AWEZNQCLSA-N 1 2 361.490 3.009 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330771621 498192087 /nfs/dbraw/zinc/19/20/87/498192087.db2.gz CLXMKRKSDDLQOU-CYBMUJFWSA-N 1 2 363.483 3.186 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1F ZINC000330831236 498202580 /nfs/dbraw/zinc/20/25/80/498202580.db2.gz QZJWVPNJSPOFEL-OLZOCXBDSA-N 1 2 371.428 3.187 20 30 FGEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000296814939 498208151 /nfs/dbraw/zinc/20/81/51/498208151.db2.gz LYMKOAPDOCMDRW-SJLPKXTDSA-N 1 2 353.422 3.065 20 30 FGEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000296814939 498208156 /nfs/dbraw/zinc/20/81/56/498208156.db2.gz LYMKOAPDOCMDRW-SJLPKXTDSA-N 1 2 353.422 3.065 20 30 FGEDLO C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000301661877 498211571 /nfs/dbraw/zinc/21/15/71/498211571.db2.gz XWEIHFWQIPYZNB-SCLBCKFNSA-N 1 2 362.393 3.299 20 30 FGEDLO COc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1OCCCC#N ZINC000289646641 498230237 /nfs/dbraw/zinc/23/02/37/498230237.db2.gz MOVPNMWPERKTPH-UHFFFAOYSA-N 1 2 368.433 3.478 20 30 FGEDLO COc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1OCCCC#N ZINC000289646641 498230243 /nfs/dbraw/zinc/23/02/43/498230243.db2.gz MOVPNMWPERKTPH-UHFFFAOYSA-N 1 2 368.433 3.478 20 30 FGEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)n(-c2ccc(C)cc2)n1 ZINC000331562014 498374028 /nfs/dbraw/zinc/37/40/28/498374028.db2.gz JBEVYTWRDBVNSD-UHFFFAOYSA-N 1 2 351.454 3.053 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290061328 498413578 /nfs/dbraw/zinc/41/35/78/498413578.db2.gz XSLLSFYKCAXMFP-MRXNPFEDSA-N 1 2 356.495 3.355 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290061328 498413584 /nfs/dbraw/zinc/41/35/84/498413584.db2.gz XSLLSFYKCAXMFP-MRXNPFEDSA-N 1 2 356.495 3.355 20 30 FGEDLO N#CCc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000578872108 506041522 /nfs/dbraw/zinc/04/15/22/506041522.db2.gz ZYHKWSFQSKLALT-HXUWFJFHSA-N 1 2 365.502 3.159 20 30 FGEDLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCOCCC#N ZINC000293797496 498492519 /nfs/dbraw/zinc/49/25/19/498492519.db2.gz NAAITPRJXDNQRH-BBRMVZONSA-N 1 2 353.260 3.141 20 30 FGEDLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCOCCC#N ZINC000293797496 498492522 /nfs/dbraw/zinc/49/25/22/498492522.db2.gz NAAITPRJXDNQRH-BBRMVZONSA-N 1 2 353.260 3.141 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3snc(Cl)c3C#N)CC2)cs1 ZINC000365609762 498555714 /nfs/dbraw/zinc/55/57/14/498555714.db2.gz GSJZJUHQGCZVNB-UHFFFAOYSA-N 1 2 367.931 3.399 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3snc(Cl)c3C#N)CC2)cs1 ZINC000365609762 498555720 /nfs/dbraw/zinc/55/57/20/498555720.db2.gz GSJZJUHQGCZVNB-UHFFFAOYSA-N 1 2 367.931 3.399 20 30 FGEDLO COc1cc[nH+]cc1COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000286931099 498557654 /nfs/dbraw/zinc/55/76/54/498557654.db2.gz MSDCUTGTPQECQE-UHFFFAOYSA-N 1 2 369.396 3.061 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)c2)cc[nH+]1 ZINC000581752996 506060781 /nfs/dbraw/zinc/06/07/81/506060781.db2.gz CZHMFHCCMSMZRE-QVKFZJNVSA-N 1 2 363.465 3.021 20 30 FGEDLO N#Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)ccc1Br ZINC000297931812 498613651 /nfs/dbraw/zinc/61/36/51/498613651.db2.gz SVMILYPNXGBUGQ-UHFFFAOYSA-N 1 2 372.213 3.236 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)c(F)c1 ZINC000302882601 498614834 /nfs/dbraw/zinc/61/48/34/498614834.db2.gz IVXVVRNDUHUUNA-MRXNPFEDSA-N 1 2 366.444 3.168 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)c(F)c1 ZINC000302882601 498614839 /nfs/dbraw/zinc/61/48/39/498614839.db2.gz IVXVVRNDUHUUNA-MRXNPFEDSA-N 1 2 366.444 3.168 20 30 FGEDLO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332290908 498636576 /nfs/dbraw/zinc/63/65/76/498636576.db2.gz JGRXLLFJWBBBQT-UHFFFAOYSA-N 1 2 355.486 3.047 20 30 FGEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303350045 498667349 /nfs/dbraw/zinc/66/73/49/498667349.db2.gz HATXZPADOZGZLM-OAQYLSRUSA-N 1 2 358.445 3.438 20 30 FGEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303350045 498667355 /nfs/dbraw/zinc/66/73/55/498667355.db2.gz HATXZPADOZGZLM-OAQYLSRUSA-N 1 2 358.445 3.438 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366097012 498773407 /nfs/dbraw/zinc/77/34/07/498773407.db2.gz XQCGTUCNTFNKLK-NSHDSACASA-N 1 2 350.875 3.380 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366097012 498773417 /nfs/dbraw/zinc/77/34/17/498773417.db2.gz XQCGTUCNTFNKLK-NSHDSACASA-N 1 2 350.875 3.380 20 30 FGEDLO C=CCn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000572941228 506088651 /nfs/dbraw/zinc/08/86/51/506088651.db2.gz XLQMFIUGRZTILU-UHFFFAOYSA-N 1 2 374.492 3.157 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000363397848 498799290 /nfs/dbraw/zinc/79/92/90/498799290.db2.gz XFBQLRFYGLBLEW-VXKWHMMOSA-N 1 2 364.493 3.466 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000363397848 498799294 /nfs/dbraw/zinc/79/92/94/498799294.db2.gz XFBQLRFYGLBLEW-VXKWHMMOSA-N 1 2 364.493 3.466 20 30 FGEDLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363493179 498848424 /nfs/dbraw/zinc/84/84/24/498848424.db2.gz MOWBZGLUARFLKV-ZDUSSCGKSA-N 1 2 351.435 3.146 20 30 FGEDLO C=CC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000294999025 498874633 /nfs/dbraw/zinc/87/46/33/498874633.db2.gz RNVSHEHLDRIXFS-UHFFFAOYSA-N 1 2 350.260 3.276 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](Nc3ccccc3)C1)CCC2 ZINC000328637145 498884660 /nfs/dbraw/zinc/88/46/60/498884660.db2.gz AOQVCZGHRPHZCY-WMZOPIPTSA-N 1 2 353.470 3.169 20 30 FGEDLO CCc1ccc2c(c1)[C@@H](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C(=O)N2 ZINC000328702150 498907287 /nfs/dbraw/zinc/90/72/87/498907287.db2.gz XBEWFCAORVPMFA-OAHLLOKOSA-N 1 2 359.470 3.392 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC000328795226 498941779 /nfs/dbraw/zinc/94/17/79/498941779.db2.gz TVDVRAWRSCYIQK-OAHLLOKOSA-N 1 2 364.453 3.081 20 30 FGEDLO CC(C)(C)C1=CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000328817701 498948277 /nfs/dbraw/zinc/94/82/77/498948277.db2.gz OZSBRTNZYBZXAP-UHFFFAOYSA-N 1 2 358.486 3.010 20 30 FGEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000328830902 498953830 /nfs/dbraw/zinc/95/38/30/498953830.db2.gz KCBZFIYBFXYKDQ-IYWMVGAKSA-N 1 2 366.465 3.183 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000299064521 498954661 /nfs/dbraw/zinc/95/46/61/498954661.db2.gz ODMSMDVIZDZLPM-FQEVSTJZSA-N 1 2 373.884 3.043 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000328866782 498966876 /nfs/dbraw/zinc/96/68/76/498966876.db2.gz NYDRIQPAIFDUOE-BRWVUGGUSA-N 1 2 356.470 3.027 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(C)cc1 ZINC000573113287 506121489 /nfs/dbraw/zinc/12/14/89/506121489.db2.gz UMZLNWFSLUKISB-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(C)cc1 ZINC000573113287 506121493 /nfs/dbraw/zinc/12/14/93/506121493.db2.gz UMZLNWFSLUKISB-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)Nc3scnc3C3CC3)c[nH+]2)CCO1 ZINC000328937131 498991451 /nfs/dbraw/zinc/99/14/51/498991451.db2.gz RBHOGXNYFXQEAT-GFCCVEGCSA-N 1 2 373.482 3.167 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027674 499018720 /nfs/dbraw/zinc/01/87/20/499018720.db2.gz KGDOBKUBGSACOT-MFKMUULPSA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027674 499018730 /nfs/dbraw/zinc/01/87/30/499018730.db2.gz KGDOBKUBGSACOT-MFKMUULPSA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000291642307 499021238 /nfs/dbraw/zinc/02/12/38/499021238.db2.gz MQZKIAOSJDQWSY-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000329042504 499024511 /nfs/dbraw/zinc/02/45/11/499024511.db2.gz IPIOCNNPKVPMJI-WBHUJUFNSA-N 1 2 372.494 3.436 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC(Cc3cccnc3)CC1)CCC2 ZINC000329095389 499040271 /nfs/dbraw/zinc/04/02/71/499040271.db2.gz BHRDFLGVWYSGKS-LJQANCHMSA-N 1 2 367.497 3.333 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC000329275114 499089528 /nfs/dbraw/zinc/08/95/28/499089528.db2.gz BLTRAIZLSCUSFD-OAHLLOKOSA-N 1 2 364.453 3.081 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329311486 499096451 /nfs/dbraw/zinc/09/64/51/499096451.db2.gz RCTUCRCFZXCRGF-NNKBYLESSA-N 1 2 361.486 3.079 20 30 FGEDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329311486 499096456 /nfs/dbraw/zinc/09/64/56/499096456.db2.gz RCTUCRCFZXCRGF-NNKBYLESSA-N 1 2 361.486 3.079 20 30 FGEDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccnn1C1CCCC1 ZINC000329384934 499113213 /nfs/dbraw/zinc/11/32/13/499113213.db2.gz RUHCVDBOVFCNDS-UHFFFAOYSA-N 1 2 354.454 3.467 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329423866 499119011 /nfs/dbraw/zinc/11/90/11/499119011.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329423866 499119013 /nfs/dbraw/zinc/11/90/13/499119013.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329423866 499119015 /nfs/dbraw/zinc/11/90/15/499119015.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329423866 499119018 /nfs/dbraw/zinc/11/90/18/499119018.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000329423866 499119019 /nfs/dbraw/zinc/11/90/19/499119019.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000329423866 499119022 /nfs/dbraw/zinc/11/90/22/499119022.db2.gz GGWCIKHFSGJHMO-DZGCQCFKSA-N 1 2 357.458 3.286 20 30 FGEDLO CCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000329459481 499124215 /nfs/dbraw/zinc/12/42/15/499124215.db2.gz RQEGLWUHUDPDDT-HOTGVXAUSA-N 1 2 361.486 3.359 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCS[C@@H](C)CC1)C1CCOCC1 ZINC000329476264 499127028 /nfs/dbraw/zinc/12/70/28/499127028.db2.gz NXCXPWSWEWBKGL-GOEBONIOSA-N 1 2 366.531 3.112 20 30 FGEDLO C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498748 499128198 /nfs/dbraw/zinc/12/81/98/499128198.db2.gz XXZHXHXMXZBCDP-SJLPKXTDSA-N 1 2 374.529 3.170 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000372564109 499146409 /nfs/dbraw/zinc/14/64/09/499146409.db2.gz MJHVMPOULNTDKO-NHCUHLMSSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000372564109 499146410 /nfs/dbraw/zinc/14/64/10/499146410.db2.gz MJHVMPOULNTDKO-NHCUHLMSSA-N 1 2 368.456 3.296 20 30 FGEDLO N#Cc1c(NC(=O)C[NH+]2CCC3(CCO3)CC2)sc2c1CCCCC2 ZINC000367110801 499149992 /nfs/dbraw/zinc/14/99/92/499149992.db2.gz YSUFZFFCELVTCL-UHFFFAOYSA-N 1 2 359.495 3.082 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467946 499202630 /nfs/dbraw/zinc/20/26/30/499202630.db2.gz ZFCJCOPYIKVUBO-RTBURBONSA-N 1 2 368.506 3.251 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467946 499202632 /nfs/dbraw/zinc/20/26/32/499202632.db2.gz ZFCJCOPYIKVUBO-RTBURBONSA-N 1 2 368.506 3.251 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000370293829 499206742 /nfs/dbraw/zinc/20/67/42/499206742.db2.gz JGRYVDJHLBQUEB-UHFFFAOYSA-N 1 2 363.377 3.188 20 30 FGEDLO CC(C)n1cc[nH+]c1C[S@](=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370331187 499210225 /nfs/dbraw/zinc/21/02/25/499210225.db2.gz ARNMYHUTNOZJQD-AREMUKBSSA-N 1 2 367.478 3.185 20 30 FGEDLO CCN(C(=O)c1cccc(CC#N)c1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370857381 499263152 /nfs/dbraw/zinc/26/31/52/499263152.db2.gz NPYRPWUYKCICAY-LJQANCHMSA-N 1 2 359.433 3.133 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000368513156 499303564 /nfs/dbraw/zinc/30/35/64/499303564.db2.gz BADWKBNDOHHRAU-MRXNPFEDSA-N 1 2 366.440 3.414 20 30 FGEDLO CC(C)Cc1ncc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470773 499331184 /nfs/dbraw/zinc/33/11/84/499331184.db2.gz OKUOFQCYLDMGTH-VBKZILBWSA-N 1 2 366.490 3.187 20 30 FGEDLO CC(C)Cc1ncc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470773 499331185 /nfs/dbraw/zinc/33/11/85/499331185.db2.gz OKUOFQCYLDMGTH-VBKZILBWSA-N 1 2 366.490 3.187 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371696639 499356175 /nfs/dbraw/zinc/35/61/75/499356175.db2.gz ORJSVGPTBKNGDI-OCBCSQNSSA-N 1 2 362.424 3.044 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371696639 499356176 /nfs/dbraw/zinc/35/61/76/499356176.db2.gz ORJSVGPTBKNGDI-OCBCSQNSSA-N 1 2 362.424 3.044 20 30 FGEDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1O ZINC000371852276 499371653 /nfs/dbraw/zinc/37/16/53/499371653.db2.gz LBOZCVGRLLXJCP-GOSISDBHSA-N 1 2 358.825 3.499 20 30 FGEDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1O ZINC000371852276 499371655 /nfs/dbraw/zinc/37/16/55/499371655.db2.gz LBOZCVGRLLXJCP-GOSISDBHSA-N 1 2 358.825 3.499 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000369208277 499377422 /nfs/dbraw/zinc/37/74/22/499377422.db2.gz WMGJAHBECHNIPF-QFIPXVFZSA-N 1 2 374.488 3.206 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000369304152 499389646 /nfs/dbraw/zinc/38/96/46/499389646.db2.gz YJOVOZWKHDPOCY-HSZRJFAPSA-N 1 2 370.456 3.257 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cn(CCCC#N)c3ccccc13)C2 ZINC000369350513 499394317 /nfs/dbraw/zinc/39/43/17/499394317.db2.gz UNRUJEXSTGNJNJ-INIZCTEOSA-N 1 2 361.449 3.195 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000373498544 499473315 /nfs/dbraw/zinc/47/33/15/499473315.db2.gz QHTDGSRKHOKGJN-UHFFFAOYSA-N 1 2 366.509 3.237 20 30 FGEDLO C=CCC[C@H](C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373525953 499475039 /nfs/dbraw/zinc/47/50/39/499475039.db2.gz GPRCMRVDTPTWDO-IRLDBZIGSA-N 1 2 369.553 3.222 20 30 FGEDLO N#C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCc2ccccc2C1 ZINC000376177244 499588952 /nfs/dbraw/zinc/58/89/52/499588952.db2.gz GIYMHQKVBZYKFA-HSZRJFAPSA-N 1 2 374.488 3.387 20 30 FGEDLO CSc1cccc(F)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000409484772 499600466 /nfs/dbraw/zinc/60/04/66/499600466.db2.gz MOUKTFFEVNIGDN-UHFFFAOYSA-N 1 2 369.465 3.377 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)n2)c1 ZINC000409486637 499600772 /nfs/dbraw/zinc/60/07/72/499600772.db2.gz QCFYNLAOERQNFQ-UHFFFAOYSA-N 1 2 372.363 3.321 20 30 FGEDLO COc1cc[nH+]cc1NC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000376340462 499601739 /nfs/dbraw/zinc/60/17/39/499601739.db2.gz XGFDHJNRWIJSSE-UHFFFAOYSA-N 1 2 372.375 3.095 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)C1=O ZINC000410341885 499656140 /nfs/dbraw/zinc/65/61/40/499656140.db2.gz DGMUIXCGYMGKJF-HXUWFJFHSA-N 1 2 352.482 3.016 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)C1=O ZINC000410341885 499656141 /nfs/dbraw/zinc/65/61/41/499656141.db2.gz DGMUIXCGYMGKJF-HXUWFJFHSA-N 1 2 352.482 3.016 20 30 FGEDLO Cc1ccc2c(ncc(C#N)c2N2CCn3c[nH+]cc3C2)c1Br ZINC000377330207 499680577 /nfs/dbraw/zinc/68/05/77/499680577.db2.gz LENHJHWMQGNZLK-UHFFFAOYSA-N 1 2 368.238 3.394 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1F ZINC000377361945 499683454 /nfs/dbraw/zinc/68/34/54/499683454.db2.gz ZHTAEZASYIRKQK-MRXNPFEDSA-N 1 2 357.433 3.278 20 30 FGEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000411143815 499702533 /nfs/dbraw/zinc/70/25/33/499702533.db2.gz ZIUNTDLUNZQTSK-SJORKVTESA-N 1 2 363.527 3.199 20 30 FGEDLO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414161229 499764787 /nfs/dbraw/zinc/76/47/87/499764787.db2.gz KBAVPDRFGYDOLB-LBPRGKRZSA-N 1 2 359.253 3.171 20 30 FGEDLO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414161229 499764789 /nfs/dbraw/zinc/76/47/89/499764789.db2.gz KBAVPDRFGYDOLB-LBPRGKRZSA-N 1 2 359.253 3.171 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213578 499927840 /nfs/dbraw/zinc/92/78/40/499927840.db2.gz JTNYCDNWPYXFOC-IAGOWNOFSA-N 1 2 360.820 3.230 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213578 499927841 /nfs/dbraw/zinc/92/78/41/499927841.db2.gz JTNYCDNWPYXFOC-IAGOWNOFSA-N 1 2 360.820 3.230 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C#N ZINC000579412393 506167536 /nfs/dbraw/zinc/16/75/36/506167536.db2.gz QIBZLOSWJFGHDE-UHFFFAOYSA-N 1 2 362.429 3.401 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C#N ZINC000579412393 506167540 /nfs/dbraw/zinc/16/75/40/506167540.db2.gz QIBZLOSWJFGHDE-UHFFFAOYSA-N 1 2 362.429 3.401 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158701 506465100 /nfs/dbraw/zinc/46/51/00/506465100.db2.gz OUASDDJHIGAAOZ-DNVCBOLYSA-N 1 2 363.889 3.191 20 30 FGEDLO CSc1nnc(CCCNc2cc(C)[nH+]cc2C#N)n1C1CCCC1 ZINC000425212515 500045110 /nfs/dbraw/zinc/04/51/10/500045110.db2.gz WLCQVTSTZFGMFV-UHFFFAOYSA-N 1 2 356.499 3.157 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158701 506465104 /nfs/dbraw/zinc/46/51/04/506465104.db2.gz OUASDDJHIGAAOZ-DNVCBOLYSA-N 1 2 363.889 3.191 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000416690315 500088182 /nfs/dbraw/zinc/08/81/82/500088182.db2.gz PXXJXBDBWRLBIF-LJQANCHMSA-N 1 2 363.465 3.010 20 30 FGEDLO COc1cc(C[NH2+]CC2(C#N)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000418141844 500235707 /nfs/dbraw/zinc/23/57/07/500235707.db2.gz MCBJRSHYRJTKNL-UHFFFAOYSA-N 1 2 373.331 3.328 20 30 FGEDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419388963 500360166 /nfs/dbraw/zinc/36/01/66/500360166.db2.gz KUSMQCBVFBQQEY-INIZCTEOSA-N 1 2 352.394 3.213 20 30 FGEDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419388963 500360170 /nfs/dbraw/zinc/36/01/70/500360170.db2.gz KUSMQCBVFBQQEY-INIZCTEOSA-N 1 2 352.394 3.213 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000579510008 506191270 /nfs/dbraw/zinc/19/12/70/506191270.db2.gz PATFKYITRPKLKX-QGZVFWFLSA-N 1 2 365.271 3.091 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)o1 ZINC000431678785 500407197 /nfs/dbraw/zinc/40/71/97/500407197.db2.gz MIGHNIQJGJYHGA-UHFFFAOYSA-N 1 2 364.430 3.418 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)o1 ZINC000431678785 500407200 /nfs/dbraw/zinc/40/72/00/500407200.db2.gz MIGHNIQJGJYHGA-UHFFFAOYSA-N 1 2 364.430 3.418 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c[nH+]1 ZINC000431807529 500427350 /nfs/dbraw/zinc/42/73/50/500427350.db2.gz HKQTZINDMLUBJW-SFHVURJKSA-N 1 2 351.454 3.382 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000427795821 500433662 /nfs/dbraw/zinc/43/36/62/500433662.db2.gz FZKVTNOVQUVVQS-IYBDPMFKSA-N 1 2 352.500 3.004 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000427795821 500433664 /nfs/dbraw/zinc/43/36/64/500433664.db2.gz FZKVTNOVQUVVQS-IYBDPMFKSA-N 1 2 352.500 3.004 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)nn1 ZINC000424176050 500463965 /nfs/dbraw/zinc/46/39/65/500463965.db2.gz WPFOKYZKVLJVNR-UHFFFAOYSA-N 1 2 364.497 3.296 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000432121302 500473096 /nfs/dbraw/zinc/47/30/96/500473096.db2.gz VFYXFUBBFHUIQH-HNNXBMFYSA-N 1 2 351.516 3.023 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)nn1 ZINC000424296748 500483234 /nfs/dbraw/zinc/48/32/34/500483234.db2.gz PIFBJOODIIFMFA-MRXNPFEDSA-N 1 2 350.470 3.426 20 30 FGEDLO Cc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc(C)[nH+]1 ZINC000420698187 500488947 /nfs/dbraw/zinc/48/89/47/500488947.db2.gz KSBBQHYAFTYIHP-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000420777438 500498646 /nfs/dbraw/zinc/49/86/46/500498646.db2.gz HQIOSJVDANNSBN-UHFFFAOYSA-N 1 2 355.467 3.004 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(Br)c3)C2)nc1 ZINC000428771656 500555473 /nfs/dbraw/zinc/55/54/73/500555473.db2.gz IKIFGUYMEKZKTG-CYBMUJFWSA-N 1 2 364.268 3.431 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(Br)c3)C2)nc1 ZINC000428771656 500555475 /nfs/dbraw/zinc/55/54/75/500555475.db2.gz IKIFGUYMEKZKTG-CYBMUJFWSA-N 1 2 364.268 3.431 20 30 FGEDLO C[C@H](c1cccc(NC(=O)NCc2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000421064214 500568567 /nfs/dbraw/zinc/56/85/67/500568567.db2.gz NQWQLQBAXZLHRI-CQSZACIVSA-N 1 2 370.478 3.335 20 30 FGEDLO C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccc(C#N)c(F)c1 ZINC000437088917 500600748 /nfs/dbraw/zinc/60/07/48/500600748.db2.gz SMAJLFOYARIJTQ-CYBMUJFWSA-N 1 2 353.376 3.327 20 30 FGEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1(C)C ZINC000447427848 500604974 /nfs/dbraw/zinc/60/49/74/500604974.db2.gz LMJGSCLEKBTFLT-SFHVURJKSA-N 1 2 366.465 3.404 20 30 FGEDLO CCc1cc(N)nc(SCCC(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000447784991 500661528 /nfs/dbraw/zinc/66/15/28/500661528.db2.gz CZDBLVQQAQYZSX-UHFFFAOYSA-N 1 2 361.858 3.098 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000437637142 500673509 /nfs/dbraw/zinc/67/35/09/500673509.db2.gz PNNYXJYLPZKBPI-UYAOXDASSA-N 1 2 372.513 3.242 20 30 FGEDLO CCC(C)(C)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000448119151 500720420 /nfs/dbraw/zinc/72/04/20/500720420.db2.gz LBAGQJVOOKBIHR-UHFFFAOYSA-N 1 2 372.513 3.454 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)cc1 ZINC000448541264 500769863 /nfs/dbraw/zinc/76/98/63/500769863.db2.gz FPPQDPNAOQYZQB-UHFFFAOYSA-N 1 2 359.389 3.480 20 30 FGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448606088 500783584 /nfs/dbraw/zinc/78/35/84/500783584.db2.gz SVIDHJTWAWANCZ-BFUOFWGJSA-N 1 2 352.463 3.190 20 30 FGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448606088 500783586 /nfs/dbraw/zinc/78/35/86/500783586.db2.gz SVIDHJTWAWANCZ-BFUOFWGJSA-N 1 2 352.463 3.190 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000438721561 500815280 /nfs/dbraw/zinc/81/52/80/500815280.db2.gz FPBRRNPDJDYELJ-SFHVURJKSA-N 1 2 371.481 3.295 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1Br ZINC000448834330 500847321 /nfs/dbraw/zinc/84/73/21/500847321.db2.gz ISHXHIBIHKUUPC-ZDUSSCGKSA-N 1 2 359.227 3.411 20 30 FGEDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439023387 500848414 /nfs/dbraw/zinc/84/84/14/500848414.db2.gz QFPHDZNCHSGWGT-OALUTQOASA-N 1 2 365.502 3.376 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccsc2)cc1 ZINC000444649825 500873505 /nfs/dbraw/zinc/87/35/05/500873505.db2.gz NEKJQTNGGCNSKI-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(C#N)cc2Cl)c1 ZINC000439455158 500898573 /nfs/dbraw/zinc/89/85/73/500898573.db2.gz TZBONXKNFUMWJW-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(C#N)cc2Cl)c1 ZINC000439455158 500898575 /nfs/dbraw/zinc/89/85/75/500898575.db2.gz TZBONXKNFUMWJW-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3[nH+]ccn3CCc3ccccc3)CC2)c1 ZINC000435351661 500958610 /nfs/dbraw/zinc/95/86/10/500958610.db2.gz VQLOAFKDMFHYPX-UHFFFAOYSA-N 1 2 370.456 3.345 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cnn1-c1cccc(C#N)c1 ZINC000440104883 500975486 /nfs/dbraw/zinc/97/54/86/500975486.db2.gz YAPOKEMQMKKZBJ-MRXNPFEDSA-N 1 2 374.448 3.094 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000440484281 501013655 /nfs/dbraw/zinc/01/36/55/501013655.db2.gz HWSDBFQAVOFELQ-BATSVXPKSA-N 1 2 371.529 3.351 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000440484281 501013658 /nfs/dbraw/zinc/01/36/58/501013658.db2.gz HWSDBFQAVOFELQ-BATSVXPKSA-N 1 2 371.529 3.351 20 30 FGEDLO CC(C)C[C@@H](C)OCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000445644587 501015140 /nfs/dbraw/zinc/01/51/40/501015140.db2.gz HWBNOTKRTNSPNF-GOSISDBHSA-N 1 2 357.498 3.044 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC000440508636 501016913 /nfs/dbraw/zinc/01/69/13/501016913.db2.gz CNOZNLRPEABLQZ-HXUWFJFHSA-N 1 2 362.901 3.087 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000440508636 501016919 /nfs/dbraw/zinc/01/69/19/501016919.db2.gz CNOZNLRPEABLQZ-HXUWFJFHSA-N 1 2 362.901 3.087 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000440508636 501016921 /nfs/dbraw/zinc/01/69/21/501016921.db2.gz CNOZNLRPEABLQZ-HXUWFJFHSA-N 1 2 362.901 3.087 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435907706 501044609 /nfs/dbraw/zinc/04/46/09/501044609.db2.gz LJROZUAQKLCXTD-FOIQADDNSA-N 1 2 372.490 3.139 20 30 FGEDLO CCC1CCC([NH2+]CCC(=O)Nc2sccc2C#N)(C(=O)OC)CC1 ZINC000440910223 501062321 /nfs/dbraw/zinc/06/23/21/501062321.db2.gz HWPZOYKAPVELBJ-UHFFFAOYSA-N 1 2 363.483 3.050 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441042065 501079264 /nfs/dbraw/zinc/07/92/64/501079264.db2.gz UBRSMDZZYQPMIV-UHFFFAOYSA-N 1 2 362.433 3.468 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441042065 501079267 /nfs/dbraw/zinc/07/92/67/501079267.db2.gz UBRSMDZZYQPMIV-UHFFFAOYSA-N 1 2 362.433 3.468 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450357831 501099597 /nfs/dbraw/zinc/09/95/97/501099597.db2.gz NYNRELMIXQCWJB-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO Cc1cc(N2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000450230739 501214930 /nfs/dbraw/zinc/21/49/30/501214930.db2.gz QNNOXJIWXGCZKZ-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO Cc1cccc([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000450257226 501220280 /nfs/dbraw/zinc/22/02/80/501220280.db2.gz KKBSNYWYMQHMJV-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO C=CC(C)(C)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000455377602 501286731 /nfs/dbraw/zinc/28/67/31/501286731.db2.gz COJIREFTWAWKNB-UHFFFAOYSA-N 1 2 365.275 3.417 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CC#Cc2ccccc2)c1 ZINC000451464984 501298364 /nfs/dbraw/zinc/29/83/64/501298364.db2.gz VDSQZJXNLMCOBS-IBGZPJMESA-N 1 2 374.278 3.475 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000451464984 501298368 /nfs/dbraw/zinc/29/83/68/501298368.db2.gz VDSQZJXNLMCOBS-IBGZPJMESA-N 1 2 374.278 3.475 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000455481359 501314813 /nfs/dbraw/zinc/31/48/13/501314813.db2.gz WZQOMRKDIKPPGU-JQHSSLGASA-N 1 2 351.454 3.445 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000455783031 501385330 /nfs/dbraw/zinc/38/53/30/501385330.db2.gz YUYPUSWZMQQPLE-HNNXBMFYSA-N 1 2 353.426 3.069 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906840 501397716 /nfs/dbraw/zinc/39/77/16/501397716.db2.gz LXYDCMPSQCIQRG-MLGOLLRUSA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906840 501397718 /nfs/dbraw/zinc/39/77/18/501397718.db2.gz LXYDCMPSQCIQRG-MLGOLLRUSA-N 1 2 374.428 3.148 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)c1c(F)cccc1F ZINC000455924323 501417126 /nfs/dbraw/zinc/41/71/26/501417126.db2.gz VOPKBNTYEZYICY-KRWDZBQOSA-N 1 2 358.392 3.455 20 30 FGEDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c[nH+]1 ZINC000452040314 501422874 /nfs/dbraw/zinc/42/28/74/501422874.db2.gz GNZWTWQDKLHQHY-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000454223301 501486158 /nfs/dbraw/zinc/48/61/58/501486158.db2.gz OWPFXGNBYQQKKL-AWEZNQCLSA-N 1 2 357.483 3.068 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454904762 501652982 /nfs/dbraw/zinc/65/29/82/501652982.db2.gz QNAYFJMQCNTKFZ-KBXCAEBGSA-N 1 2 374.872 3.306 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C(C)(C)O)C2)cc1OC ZINC000459616781 501687424 /nfs/dbraw/zinc/68/74/24/501687424.db2.gz YUDAGDBPMITYBC-UHFFFAOYSA-N 1 2 370.287 3.225 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470904294 501848894 /nfs/dbraw/zinc/84/88/94/501848894.db2.gz TYRAZTGDJWHOBK-KBXCAEBGSA-N 1 2 361.873 3.086 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470904294 501848898 /nfs/dbraw/zinc/84/88/98/501848898.db2.gz TYRAZTGDJWHOBK-KBXCAEBGSA-N 1 2 361.873 3.086 20 30 FGEDLO CC1CC(n2nnc3c2C[N@H+](Cc2cccc(OCCCC#N)c2)CC3)C1 ZINC000602738680 506280772 /nfs/dbraw/zinc/28/07/72/506280772.db2.gz IKFWKWWYSKWRPR-UHFFFAOYSA-N 1 2 365.481 3.490 20 30 FGEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2cccc(OCCCC#N)c2)CC3)C1 ZINC000602738680 506280777 /nfs/dbraw/zinc/28/07/77/506280777.db2.gz IKFWKWWYSKWRPR-UHFFFAOYSA-N 1 2 365.481 3.490 20 30 FGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000460816274 501927765 /nfs/dbraw/zinc/92/77/65/501927765.db2.gz LJJIKZCILFCKQS-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000474799159 501955907 /nfs/dbraw/zinc/95/59/07/501955907.db2.gz NLNXSENWMNBZLK-INIZCTEOSA-N 1 2 362.861 3.055 20 30 FGEDLO Cc1cccn2cc(-c3ccc(NC(=O)c4cnn(C)c4C#N)cc3)[nH+]c12 ZINC000474908558 501988341 /nfs/dbraw/zinc/98/83/41/501988341.db2.gz WLWZZTKEJFKACJ-UHFFFAOYSA-N 1 2 356.389 3.167 20 30 FGEDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000471611437 502086570 /nfs/dbraw/zinc/08/65/70/502086570.db2.gz JZKWPTCDHNBFLE-ZDUSSCGKSA-N 1 2 351.385 3.245 20 30 FGEDLO CCOc1cc(N2CC[NH+](Cc3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000475510981 502197371 /nfs/dbraw/zinc/19/73/71/502197371.db2.gz XDSVFBQOIQJDLO-UHFFFAOYSA-N 1 2 366.421 3.187 20 30 FGEDLO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000468978584 502250377 /nfs/dbraw/zinc/25/03/77/502250377.db2.gz LRMQGZJZOSZMDO-NXEZZACHSA-N 1 2 360.405 3.154 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000486811455 502272380 /nfs/dbraw/zinc/27/23/80/502272380.db2.gz LIOSUIRNKRCNBB-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000483254344 502328597 /nfs/dbraw/zinc/32/85/97/502328597.db2.gz GDFGIVRFGTUOAE-ZDUSSCGKSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000483254344 502328601 /nfs/dbraw/zinc/32/86/01/502328601.db2.gz GDFGIVRFGTUOAE-ZDUSSCGKSA-N 1 2 367.417 3.400 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1C#N ZINC000611813271 506315984 /nfs/dbraw/zinc/31/59/84/506315984.db2.gz SSOCRMPBANQJOU-UHFFFAOYSA-N 1 2 370.497 3.143 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1C#N ZINC000611813271 506315988 /nfs/dbraw/zinc/31/59/88/506315988.db2.gz SSOCRMPBANQJOU-UHFFFAOYSA-N 1 2 370.497 3.143 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000466124264 502483982 /nfs/dbraw/zinc/48/39/82/502483982.db2.gz PWUOMDQWIWZQHE-PWRODBHTSA-N 1 2 366.509 3.354 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4cc(Cl)ccc4C3)C2=O)cc1 ZINC000483989666 502542496 /nfs/dbraw/zinc/54/24/96/502542496.db2.gz VVNHYYPFGZSXND-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4cc(Cl)ccc4C3)C2=O)cc1 ZINC000483989666 502542499 /nfs/dbraw/zinc/54/24/99/502542499.db2.gz VVNHYYPFGZSXND-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466816007 502691549 /nfs/dbraw/zinc/69/15/49/502691549.db2.gz MJYCMMJACVYYLM-NRFANRHFSA-N 1 2 363.461 3.293 20 30 FGEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466816007 502691551 /nfs/dbraw/zinc/69/15/51/502691551.db2.gz MJYCMMJACVYYLM-NRFANRHFSA-N 1 2 363.461 3.293 20 30 FGEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)N1CC#N ZINC000602866190 506330245 /nfs/dbraw/zinc/33/02/45/506330245.db2.gz VBNXKBYYNSYUGZ-ROUUACIJSA-N 1 2 362.477 3.210 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000481267689 502801676 /nfs/dbraw/zinc/80/16/76/502801676.db2.gz HIYGWEWCIJIISQ-AZUAARDMSA-N 1 2 357.498 3.295 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000481267689 502801680 /nfs/dbraw/zinc/80/16/80/502801680.db2.gz HIYGWEWCIJIISQ-AZUAARDMSA-N 1 2 357.498 3.295 20 30 FGEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000467148356 502802459 /nfs/dbraw/zinc/80/24/59/502802459.db2.gz FSKOLIALPSNIAC-CYBMUJFWSA-N 1 2 359.376 3.208 20 30 FGEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000467148356 502802465 /nfs/dbraw/zinc/80/24/65/502802465.db2.gz FSKOLIALPSNIAC-CYBMUJFWSA-N 1 2 359.376 3.208 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602883740 506338143 /nfs/dbraw/zinc/33/81/43/506338143.db2.gz XHSCSJAPJYUZDV-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602883740 506338151 /nfs/dbraw/zinc/33/81/51/506338151.db2.gz XHSCSJAPJYUZDV-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000513119190 502856280 /nfs/dbraw/zinc/85/62/80/502856280.db2.gz VPEXITGLDQYMOO-UHFFFAOYSA-N 1 2 362.905 3.497 20 30 FGEDLO Cc1ccnc(-c2noc(C[NH+]3CCC(Nc4ccccc4C#N)CC3)n2)c1 ZINC000602899500 506343099 /nfs/dbraw/zinc/34/30/99/506343099.db2.gz KUXCTQKVYIOHGJ-UHFFFAOYSA-N 1 2 374.448 3.388 20 30 FGEDLO Cc1ccc(-c2csc(CN(CCC#N)CC[NH+]3CCOCC3)n2)cc1 ZINC000509668006 502962278 /nfs/dbraw/zinc/96/22/78/502962278.db2.gz STLWVGGSXBTIFC-UHFFFAOYSA-N 1 2 370.522 3.166 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835814 502996462 /nfs/dbraw/zinc/99/64/62/502996462.db2.gz ZIBXYZGFGNDHMA-RDJZCZTQSA-N 1 2 367.449 3.496 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835814 502996466 /nfs/dbraw/zinc/99/64/66/502996466.db2.gz ZIBXYZGFGNDHMA-RDJZCZTQSA-N 1 2 367.449 3.496 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677321 502998137 /nfs/dbraw/zinc/99/81/37/502998137.db2.gz UQLJKIPUZYUIDC-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677321 502998140 /nfs/dbraw/zinc/99/81/40/502998140.db2.gz UQLJKIPUZYUIDC-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO Cc1ncc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1C#N ZINC000489699901 503014191 /nfs/dbraw/zinc/01/41/91/503014191.db2.gz RXOLENJWJMKLQS-UHFFFAOYSA-N 1 2 364.430 3.052 20 30 FGEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000513819626 503029552 /nfs/dbraw/zinc/02/95/52/503029552.db2.gz ADVOOPVBVZUACM-SFHVURJKSA-N 1 2 368.525 3.250 20 30 FGEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000497771209 503037682 /nfs/dbraw/zinc/03/76/82/503037682.db2.gz IBNHZYYSCZOBBD-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000497771209 503037684 /nfs/dbraw/zinc/03/76/84/503037684.db2.gz IBNHZYYSCZOBBD-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000489893294 503058917 /nfs/dbraw/zinc/05/89/17/503058917.db2.gz XOTQVAIHVQUOPZ-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602924584 506354226 /nfs/dbraw/zinc/35/42/26/506354226.db2.gz GCUXVFPZVGDCHD-FQEVSTJZSA-N 1 2 365.481 3.019 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602924584 506354230 /nfs/dbraw/zinc/35/42/30/506354230.db2.gz GCUXVFPZVGDCHD-FQEVSTJZSA-N 1 2 365.481 3.019 20 30 FGEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506686643 503156747 /nfs/dbraw/zinc/15/67/47/503156747.db2.gz HFLVYNTYQYOTDU-FQEVSTJZSA-N 1 2 350.418 3.275 20 30 FGEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506686643 503156751 /nfs/dbraw/zinc/15/67/51/503156751.db2.gz HFLVYNTYQYOTDU-FQEVSTJZSA-N 1 2 350.418 3.275 20 30 FGEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000506807735 503176123 /nfs/dbraw/zinc/17/61/23/503176123.db2.gz VEMWCIVJKVIVHK-UHFFFAOYSA-N 1 2 365.412 3.194 20 30 FGEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000506807735 503176128 /nfs/dbraw/zinc/17/61/28/503176128.db2.gz VEMWCIVJKVIVHK-UHFFFAOYSA-N 1 2 365.412 3.194 20 30 FGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333275 503182060 /nfs/dbraw/zinc/18/20/60/503182060.db2.gz NMFZKGKNJVSAPB-RTWAWAEBSA-N 1 2 369.509 3.249 20 30 FGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333275 503182066 /nfs/dbraw/zinc/18/20/66/503182066.db2.gz NMFZKGKNJVSAPB-RTWAWAEBSA-N 1 2 369.509 3.249 20 30 FGEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000510872767 503208080 /nfs/dbraw/zinc/20/80/80/503208080.db2.gz PBJUIVRWOCJZSA-UHFFFAOYSA-N 1 2 373.331 3.075 20 30 FGEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544048 503221209 /nfs/dbraw/zinc/22/12/09/503221209.db2.gz MPWWZWPRXRHIKA-UHFFFAOYSA-N 1 2 365.399 3.447 20 30 FGEDLO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544048 503221212 /nfs/dbraw/zinc/22/12/12/503221212.db2.gz MPWWZWPRXRHIKA-UHFFFAOYSA-N 1 2 365.399 3.447 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)ccc1Br ZINC000510939331 503221988 /nfs/dbraw/zinc/22/19/88/503221988.db2.gz YZUNRQRBTRRYHA-LBPRGKRZSA-N 1 2 368.250 3.412 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507299584 503273482 /nfs/dbraw/zinc/27/34/82/503273482.db2.gz XPBQKDCUZUMNSD-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000498972532 503306778 /nfs/dbraw/zinc/30/67/78/503306778.db2.gz DTCCSZRJIJZHMW-PBHICJAKSA-N 1 2 363.339 3.134 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000498972532 503306782 /nfs/dbraw/zinc/30/67/82/503306782.db2.gz DTCCSZRJIJZHMW-PBHICJAKSA-N 1 2 363.339 3.134 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492038577 503344792 /nfs/dbraw/zinc/34/47/92/503344792.db2.gz FKBWPTFLECFPKW-UHFFFAOYSA-N 1 2 363.421 3.213 20 30 FGEDLO C=CC[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000511590333 503350386 /nfs/dbraw/zinc/35/03/86/503350386.db2.gz FWZZOXCTMDUZLW-GOSISDBHSA-N 1 2 365.539 3.428 20 30 FGEDLO C=CC[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000511590333 503350390 /nfs/dbraw/zinc/35/03/90/503350390.db2.gz FWZZOXCTMDUZLW-GOSISDBHSA-N 1 2 365.539 3.428 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCN1CC(F)F ZINC000492585481 503375864 /nfs/dbraw/zinc/37/58/64/503375864.db2.gz WYEKCIABDHVFIF-AWEZNQCLSA-N 1 2 372.257 3.482 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCN1CC(F)F ZINC000492585481 503375868 /nfs/dbraw/zinc/37/58/68/503375868.db2.gz WYEKCIABDHVFIF-AWEZNQCLSA-N 1 2 372.257 3.482 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000492789876 503385249 /nfs/dbraw/zinc/38/52/49/503385249.db2.gz NRYBRFXUBQKKNF-STQMWFEESA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000492789876 503385251 /nfs/dbraw/zinc/38/52/51/503385251.db2.gz NRYBRFXUBQKKNF-STQMWFEESA-N 1 2 363.177 3.208 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000499344684 503385260 /nfs/dbraw/zinc/38/52/60/503385260.db2.gz QPZLYWNCOBOOJP-UHFFFAOYSA-N 1 2 369.509 3.422 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000611942960 506370655 /nfs/dbraw/zinc/37/06/55/506370655.db2.gz MWIVVHWODCYGLG-UHFFFAOYSA-N 1 2 367.453 3.488 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2Cc3cccc(Br)c3C[C@@H]2CC)C1=O ZINC000499716910 503464888 /nfs/dbraw/zinc/46/48/88/503464888.db2.gz BTMLKWCKUMXLOI-YOEHRIQHSA-N 1 2 363.299 3.373 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2Cc3cccc(Br)c3C[C@@H]2CC)C1=O ZINC000499716910 503464891 /nfs/dbraw/zinc/46/48/91/503464891.db2.gz BTMLKWCKUMXLOI-YOEHRIQHSA-N 1 2 363.299 3.373 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000512179368 503478383 /nfs/dbraw/zinc/47/83/83/503478383.db2.gz LSTQSDIWGOSJFV-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000512179368 503478387 /nfs/dbraw/zinc/47/83/87/503478387.db2.gz LSTQSDIWGOSJFV-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC ZINC000512210648 503486825 /nfs/dbraw/zinc/48/68/25/503486825.db2.gz HDUAXCSXKXVRBD-UHFFFAOYSA-N 1 2 369.440 3.427 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000512217564 503489765 /nfs/dbraw/zinc/48/97/65/503489765.db2.gz GGVQGELAOSRURY-MSOLQXFVSA-N 1 2 370.493 3.458 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000512217564 503489769 /nfs/dbraw/zinc/48/97/69/503489769.db2.gz GGVQGELAOSRURY-MSOLQXFVSA-N 1 2 370.493 3.458 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512506851 503572756 /nfs/dbraw/zinc/57/27/56/503572756.db2.gz QVQKDOGHQCDSMI-UHFFFAOYSA-N 1 2 365.481 3.030 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512506851 503572760 /nfs/dbraw/zinc/57/27/60/503572760.db2.gz QVQKDOGHQCDSMI-UHFFFAOYSA-N 1 2 365.481 3.030 20 30 FGEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508924617 503601446 /nfs/dbraw/zinc/60/14/46/503601446.db2.gz YRXOSVGWDREVDN-OAHLLOKOSA-N 1 2 374.558 3.392 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000512680392 503611050 /nfs/dbraw/zinc/61/10/50/503611050.db2.gz AOVLCAHPKIWMKK-UHFFFAOYSA-N 1 2 353.441 3.366 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000546210503 503671908 /nfs/dbraw/zinc/67/19/08/503671908.db2.gz RIKAYYBKIRNZCB-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532959808 503675753 /nfs/dbraw/zinc/67/57/53/503675753.db2.gz DZWYYTHRQPXMFR-CZUORRHYSA-N 1 2 374.428 3.291 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532959808 503675758 /nfs/dbraw/zinc/67/57/58/503675758.db2.gz DZWYYTHRQPXMFR-CZUORRHYSA-N 1 2 374.428 3.291 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000533004580 503693714 /nfs/dbraw/zinc/69/37/14/503693714.db2.gz BWMFYOMRIJSKFG-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000533004580 503693724 /nfs/dbraw/zinc/69/37/24/503693724.db2.gz BWMFYOMRIJSKFG-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(C3CCCCC3)CCCCC2)c1C#N ZINC000527184392 503709844 /nfs/dbraw/zinc/70/98/44/503709844.db2.gz KFACAHTWVIXDIJ-UHFFFAOYSA-N 1 2 371.529 3.325 20 30 FGEDLO COC(=O)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000527239389 503735052 /nfs/dbraw/zinc/73/50/52/503735052.db2.gz ZMOXHTZJIVJHGN-UHFFFAOYSA-N 1 2 350.418 3.275 20 30 FGEDLO COC(=O)C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000527239389 503735056 /nfs/dbraw/zinc/73/50/56/503735056.db2.gz ZMOXHTZJIVJHGN-UHFFFAOYSA-N 1 2 350.418 3.275 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1F ZINC000537048246 503788418 /nfs/dbraw/zinc/78/84/18/503788418.db2.gz VOAWZTHKHZWUDC-LJQANCHMSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1F ZINC000537048246 503788425 /nfs/dbraw/zinc/78/84/25/503788425.db2.gz VOAWZTHKHZWUDC-LJQANCHMSA-N 1 2 351.425 3.482 20 30 FGEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000533303838 503800770 /nfs/dbraw/zinc/80/07/70/503800770.db2.gz FIQDMNDYZBUQFF-GOSISDBHSA-N 1 2 367.497 3.287 20 30 FGEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000533303838 503800775 /nfs/dbraw/zinc/80/07/75/503800775.db2.gz FIQDMNDYZBUQFF-GOSISDBHSA-N 1 2 367.497 3.287 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533524146 503875324 /nfs/dbraw/zinc/87/53/24/503875324.db2.gz DMTNPJLNVADFQH-QFBILLFUSA-N 1 2 367.497 3.108 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533524146 503875330 /nfs/dbraw/zinc/87/53/30/503875330.db2.gz DMTNPJLNVADFQH-QFBILLFUSA-N 1 2 367.497 3.108 20 30 FGEDLO CC(C)N(CCC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000543748585 503878537 /nfs/dbraw/zinc/87/85/37/503878537.db2.gz CKZSGQZQLZMEIO-UHFFFAOYSA-N 1 2 366.465 3.307 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000540820395 503904455 /nfs/dbraw/zinc/90/44/55/503904455.db2.gz CNMYGNGPEOQZEG-UHFFFAOYSA-N 1 2 351.425 3.088 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000540820395 503904462 /nfs/dbraw/zinc/90/44/62/503904462.db2.gz CNMYGNGPEOQZEG-UHFFFAOYSA-N 1 2 351.425 3.088 20 30 FGEDLO N#Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000540884751 503925397 /nfs/dbraw/zinc/92/53/97/503925397.db2.gz UHZACQOQEQPSBM-UHFFFAOYSA-N 1 2 354.772 3.466 20 30 FGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000540949707 503951223 /nfs/dbraw/zinc/95/12/23/503951223.db2.gz KAYMUEBIDVOIAK-CQSZACIVSA-N 1 2 358.408 3.375 20 30 FGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000540949707 503951228 /nfs/dbraw/zinc/95/12/28/503951228.db2.gz KAYMUEBIDVOIAK-CQSZACIVSA-N 1 2 358.408 3.375 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000540959084 503954929 /nfs/dbraw/zinc/95/49/29/503954929.db2.gz DPVQEEHMGGGKDP-AWEZNQCLSA-N 1 2 369.481 3.148 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000540959084 503954930 /nfs/dbraw/zinc/95/49/30/503954930.db2.gz DPVQEEHMGGGKDP-AWEZNQCLSA-N 1 2 369.481 3.148 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480302 503981049 /nfs/dbraw/zinc/98/10/49/503981049.db2.gz UKTAQLVADRWDIL-QGZVFWFLSA-N 1 2 364.428 3.160 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000537664185 503998203 /nfs/dbraw/zinc/99/82/03/503998203.db2.gz VEZCNOMNEXFIOU-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(C#N)cc2OC)c[nH+]1 ZINC000547415205 504096181 /nfs/dbraw/zinc/09/61/81/504096181.db2.gz FHCLZZLHRFLRRG-UHFFFAOYSA-N 1 2 353.426 3.130 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2ccon2)c1C#N ZINC000544546512 504169132 /nfs/dbraw/zinc/16/91/32/504169132.db2.gz MTSLDNYMKTWEFN-CQSZACIVSA-N 1 2 363.421 3.243 20 30 FGEDLO C=CC[C@@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544684197 504216401 /nfs/dbraw/zinc/21/64/01/504216401.db2.gz IPDRIYHZEMSERQ-GFCCVEGCSA-N 1 2 365.275 3.212 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541734401 504238169 /nfs/dbraw/zinc/23/81/69/504238169.db2.gz RKKDAYCMBGFXDD-UHFFFAOYSA-N 1 2 357.417 3.251 20 30 FGEDLO N#Cc1cccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000531400546 504294465 /nfs/dbraw/zinc/29/44/65/504294465.db2.gz INGHEHVSIPYVBX-UHFFFAOYSA-N 1 2 360.417 3.031 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(Br)c1 ZINC000541953446 504313744 /nfs/dbraw/zinc/31/37/44/504313744.db2.gz LRURLDMJOCFPKO-UHFFFAOYSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1ccc2[nH+]c(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)cn2c1 ZINC000542004775 504332923 /nfs/dbraw/zinc/33/29/23/504332923.db2.gz RIEARXQPTLTWJH-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3C#N)CC1)O[C@H](C)C2 ZINC000535069103 504333819 /nfs/dbraw/zinc/33/38/19/504333819.db2.gz PEHURXITPOVPKL-MRXNPFEDSA-N 1 2 363.461 3.212 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720178 504348509 /nfs/dbraw/zinc/34/85/09/504348509.db2.gz OFLDYVZWHCBMFM-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720178 504348513 /nfs/dbraw/zinc/34/85/13/504348513.db2.gz OFLDYVZWHCBMFM-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)c1C#N ZINC000535222806 504377075 /nfs/dbraw/zinc/37/70/75/504377075.db2.gz XWZSHKFAQCOBLP-UHFFFAOYSA-N 1 2 368.433 3.303 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c1C#N ZINC000535222806 504377083 /nfs/dbraw/zinc/37/70/83/504377083.db2.gz XWZSHKFAQCOBLP-UHFFFAOYSA-N 1 2 368.433 3.303 20 30 FGEDLO Cc1cccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000538857835 504394673 /nfs/dbraw/zinc/39/46/73/504394673.db2.gz MHJODRSSHCRFQB-OAQYLSRUSA-N 1 2 371.440 3.288 20 30 FGEDLO Cc1cccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000538857835 504394680 /nfs/dbraw/zinc/39/46/80/504394680.db2.gz MHJODRSSHCRFQB-OAQYLSRUSA-N 1 2 371.440 3.288 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000548425093 504440934 /nfs/dbraw/zinc/44/09/34/504440934.db2.gz NSDANRPPIGXHDZ-FXAWDEMLSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000548425093 504440939 /nfs/dbraw/zinc/44/09/39/504440939.db2.gz NSDANRPPIGXHDZ-FXAWDEMLSA-N 1 2 355.482 3.049 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000539389999 504552158 /nfs/dbraw/zinc/55/21/58/504552158.db2.gz XADHBZGOAMKOCE-ICSRJNTNSA-N 1 2 359.514 3.412 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000539390001 504552307 /nfs/dbraw/zinc/55/23/07/504552307.db2.gz XADHBZGOAMKOCE-QUCCMNQESA-N 1 2 359.514 3.412 20 30 FGEDLO Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)nn1-c1cccc(C#N)c1 ZINC000542797831 504613873 /nfs/dbraw/zinc/61/38/73/504613873.db2.gz CQEBHDBMPHZDGF-UHFFFAOYSA-N 1 2 370.416 3.500 20 30 FGEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C#N)cc3Cl)ccc2n1C ZINC000545858556 504617865 /nfs/dbraw/zinc/61/78/65/504617865.db2.gz DGYPGLWUVOFBCI-UHFFFAOYSA-N 1 2 360.826 3.208 20 30 FGEDLO Cc1cccn2cc(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)[nH+]c12 ZINC000542936554 504664493 /nfs/dbraw/zinc/66/44/93/504664493.db2.gz SOXISJRTUNMNAT-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532531262 504684663 /nfs/dbraw/zinc/68/46/63/504684663.db2.gz RXVGLTXUTCUECA-UHFFFAOYSA-N 1 2 355.445 3.337 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532591539 504705932 /nfs/dbraw/zinc/70/59/32/504705932.db2.gz ZKUHOYKMCFAAMK-ZSOIEALJSA-N 1 2 359.473 3.079 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540036704 504763738 /nfs/dbraw/zinc/76/37/38/504763738.db2.gz NSQMOKIQYHMRGA-UHFFFAOYSA-N 1 2 365.396 3.314 20 30 FGEDLO C[C@@]([NH2+]Cc1ccc(C#N)s1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000521639330 504767782 /nfs/dbraw/zinc/76/77/82/504767782.db2.gz FWSWBRGAEXEXIN-HNNXBMFYSA-N 1 2 353.369 3.129 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000549693870 504874807 /nfs/dbraw/zinc/87/48/07/504874807.db2.gz USCWWIYIEQMXOO-UHFFFAOYSA-N 1 2 363.868 3.277 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ncc(C#N)cc1C ZINC000560083629 504987109 /nfs/dbraw/zinc/98/71/09/504987109.db2.gz NSXFSIRIHXTYQX-UHFFFAOYSA-N 1 2 363.465 3.035 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)c1 ZINC000556959660 505031302 /nfs/dbraw/zinc/03/13/02/505031302.db2.gz BBQBLUSVWVUJEN-UHFFFAOYSA-N 1 2 360.392 3.231 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560389673 505068743 /nfs/dbraw/zinc/06/87/43/505068743.db2.gz VSAIOLJRJVSCOO-SMOSDQRPSA-N 1 2 373.497 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566145035 505096888 /nfs/dbraw/zinc/09/68/88/505096888.db2.gz DZKGDOAWHNACNT-WWNBULGVSA-N 1 2 373.497 3.008 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554191634 505113237 /nfs/dbraw/zinc/11/32/37/505113237.db2.gz KXOCBCSZRACJKP-NHYWBVRUSA-N 1 2 351.237 3.132 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccccc1F ZINC000551020433 505144023 /nfs/dbraw/zinc/14/40/23/505144023.db2.gz KHGSYPCAYOOBFE-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccccc1F ZINC000551020433 505144029 /nfs/dbraw/zinc/14/40/29/505144029.db2.gz KHGSYPCAYOOBFE-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(N(C)C)[nH+]c3)c2c1 ZINC000557519505 505155172 /nfs/dbraw/zinc/15/51/72/505155172.db2.gz NTUOARJPSRIHQR-UHFFFAOYSA-N 1 2 363.421 3.197 20 30 FGEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000566409792 505167467 /nfs/dbraw/zinc/16/74/67/505167467.db2.gz MKMCVPSWWFVGNM-VIFPVBQESA-N 1 2 361.858 3.096 20 30 FGEDLO C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000561113564 505253915 /nfs/dbraw/zinc/25/39/15/505253915.db2.gz LZBDWJXVAIOTLN-FZMZJTMJSA-N 1 2 350.344 3.205 20 30 FGEDLO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000566761414 505265700 /nfs/dbraw/zinc/26/57/00/505265700.db2.gz MLGVFYGZGXIMBK-CTWPCTMYSA-N 1 2 374.448 3.141 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)N1CCC(CCC#N)CC1)c1c(F)cccc1F ZINC000563885840 505267254 /nfs/dbraw/zinc/26/72/54/505267254.db2.gz XUFLQGHENHMZON-KRWDZBQOSA-N 1 2 364.440 3.293 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)o2)c1 ZINC000558144639 505319257 /nfs/dbraw/zinc/31/92/57/505319257.db2.gz JYNYCNHYMMLLJD-KRWDZBQOSA-N 1 2 368.824 3.475 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000552096002 505397955 /nfs/dbraw/zinc/39/79/55/505397955.db2.gz MPGXAWHWCSFJQL-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO CCn1c(C)cc(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000558629216 505445031 /nfs/dbraw/zinc/44/50/31/505445031.db2.gz CEJHTOZGVBQXSX-UHFFFAOYSA-N 1 2 350.466 3.260 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C)c(C#N)c1C ZINC000564609582 505468744 /nfs/dbraw/zinc/46/87/44/505468744.db2.gz VXDQKXYLJNCMMI-UHFFFAOYSA-N 1 2 356.495 3.373 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C)c(C#N)c1C ZINC000564609582 505468748 /nfs/dbraw/zinc/46/87/48/505468748.db2.gz VXDQKXYLJNCMMI-UHFFFAOYSA-N 1 2 356.495 3.373 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000564849601 505538788 /nfs/dbraw/zinc/53/87/88/505538788.db2.gz VIRIDNJQOUBKRK-INIZCTEOSA-N 1 2 368.462 3.021 20 30 FGEDLO CC(C)[C@H](CNc1c(C#N)cnc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000564892728 505551275 /nfs/dbraw/zinc/55/12/75/505551275.db2.gz NPFQBAPTIRJFGD-SFHVURJKSA-N 1 2 371.916 3.444 20 30 FGEDLO N#CCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000603034640 506389120 /nfs/dbraw/zinc/38/91/20/506389120.db2.gz XPXUTFSUZGDRIL-UHFFFAOYSA-N 1 2 367.478 3.023 20 30 FGEDLO CN(c1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1)C1CC1 ZINC000588980818 506404461 /nfs/dbraw/zinc/40/44/61/506404461.db2.gz QFBKFNPDNPDRJS-UHFFFAOYSA-N 1 2 356.495 3.262 20 30 FGEDLO CN(c1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1)C1CC1 ZINC000588980818 506404466 /nfs/dbraw/zinc/40/44/66/506404466.db2.gz QFBKFNPDNPDRJS-UHFFFAOYSA-N 1 2 356.495 3.262 20 30 FGEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000599370475 506430372 /nfs/dbraw/zinc/43/03/72/506430372.db2.gz INRPTEZZOGOKHO-RHSMWYFYSA-N 1 2 370.453 3.079 20 30 FGEDLO N#CC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCCC1 ZINC000596499402 506434085 /nfs/dbraw/zinc/43/40/85/506434085.db2.gz OWKWIYWFWOJGRW-UHFFFAOYSA-N 1 2 358.442 3.313 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599427423 506453108 /nfs/dbraw/zinc/45/31/08/506453108.db2.gz PWBRJTGSXNTRIC-CQSZACIVSA-N 1 2 350.260 3.184 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599427423 506453116 /nfs/dbraw/zinc/45/31/16/506453116.db2.gz PWBRJTGSXNTRIC-CQSZACIVSA-N 1 2 350.260 3.184 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174570 506473189 /nfs/dbraw/zinc/47/31/89/506473189.db2.gz IJYUSIAXTIFKBU-KRWDZBQOSA-N 1 2 373.815 3.443 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174570 506473192 /nfs/dbraw/zinc/47/31/92/506473192.db2.gz IJYUSIAXTIFKBU-KRWDZBQOSA-N 1 2 373.815 3.443 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000612406856 506567434 /nfs/dbraw/zinc/56/74/34/506567434.db2.gz VOLQZHXNQJDXGV-IERDGZPVSA-N 1 2 373.497 3.066 20 30 FGEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000612406856 506567442 /nfs/dbraw/zinc/56/74/42/506567442.db2.gz VOLQZHXNQJDXGV-IERDGZPVSA-N 1 2 373.497 3.066 20 30 FGEDLO N#CC1(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCC1 ZINC000593372633 506582287 /nfs/dbraw/zinc/58/22/87/506582287.db2.gz YWXUOOAXQDQQOQ-UHFFFAOYSA-N 1 2 351.454 3.009 20 30 FGEDLO CC[C@H](C#N)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000593480864 506643128 /nfs/dbraw/zinc/64/31/28/506643128.db2.gz GWPPVIWVBLRTOO-MRXNPFEDSA-N 1 2 357.502 3.276 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)c1C#N ZINC000583232093 506662486 /nfs/dbraw/zinc/66/24/86/506662486.db2.gz UMITUOFZQZXGHB-UHFFFAOYSA-N 1 2 368.506 3.359 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000593626339 506708015 /nfs/dbraw/zinc/70/80/15/506708015.db2.gz XSZONLQNVBYSLO-UHFFFAOYSA-N 1 2 355.413 3.295 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)CC1(C#N)CC1 ZINC000590219451 506767227 /nfs/dbraw/zinc/76/72/27/506767227.db2.gz QVJYYYYZGPEZQV-UHFFFAOYSA-N 1 2 366.465 3.395 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000597157620 506804622 /nfs/dbraw/zinc/80/46/22/506804622.db2.gz PLZURAYBSACVGV-BHIYHBOVSA-N 1 2 356.466 3.078 20 30 FGEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597183577 506821072 /nfs/dbraw/zinc/82/10/72/506821072.db2.gz LTSBJOXUQXFCCV-UHFFFAOYSA-N 1 2 363.490 3.436 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000594010938 506881669 /nfs/dbraw/zinc/88/16/69/506881669.db2.gz YBFPFYIPCXHSFO-MRXNPFEDSA-N 1 2 367.428 3.325 20 30 FGEDLO N#Cc1ccccc1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564428 506923973 /nfs/dbraw/zinc/92/39/73/506923973.db2.gz SOTKYUFJPYFVRI-FQEVSTJZSA-N 1 2 355.869 3.063 20 30 FGEDLO COc1cc(OC)c(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)c(OC)c1 ZINC000609574957 506927657 /nfs/dbraw/zinc/92/76/57/506927657.db2.gz DNDFYULWGMPPKY-HNNXBMFYSA-N 1 2 357.454 3.335 20 30 FGEDLO Cc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nc(C2CC2)[nH+]1 ZINC000609704050 506978156 /nfs/dbraw/zinc/97/81/56/506978156.db2.gz YQNPZSJWCDEMGU-MRXNPFEDSA-N 1 2 351.429 3.176 20 30 FGEDLO Cc1nc(N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000613265952 506999449 /nfs/dbraw/zinc/99/94/49/506999449.db2.gz ZYRQVIANODHIRT-HXUWFJFHSA-N 1 2 365.456 3.190 20 30 FGEDLO CC(C)CCN(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793164 507003011 /nfs/dbraw/zinc/00/30/11/507003011.db2.gz SDPYGKFGDSDMHG-GOSISDBHSA-N 1 2 374.504 3.125 20 30 FGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000609853988 507024949 /nfs/dbraw/zinc/02/49/49/507024949.db2.gz ZXMSLGNVPXORAP-UHFFFAOYSA-N 1 2 351.372 3.043 20 30 FGEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000600678295 507061542 /nfs/dbraw/zinc/06/15/42/507061542.db2.gz HYDAZOXIHSAOFY-UHFFFAOYSA-N 1 2 358.445 3.192 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3nc(C(C)(C)C)ccc3C#N)c[nH+]2)CCO1 ZINC000613412029 507076345 /nfs/dbraw/zinc/07/63/45/507076345.db2.gz CVVITGHPDHUEQP-HNNXBMFYSA-N 1 2 365.481 3.483 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000600741392 507093927 /nfs/dbraw/zinc/09/39/27/507093927.db2.gz NPSKLOYEVBKDRF-INIZCTEOSA-N 1 2 366.795 3.333 20 30 FGEDLO C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400384 507114550 /nfs/dbraw/zinc/11/45/50/507114550.db2.gz BLGKVXJSEFLLAW-UTUOFQBUSA-N 1 2 370.280 3.093 20 30 FGEDLO C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400384 507114557 /nfs/dbraw/zinc/11/45/57/507114557.db2.gz BLGKVXJSEFLLAW-UTUOFQBUSA-N 1 2 370.280 3.093 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc2ccccc21 ZINC000597940775 507188513 /nfs/dbraw/zinc/18/85/13/507188513.db2.gz KYBJBIHNVLWOMG-UHFFFAOYSA-N 1 2 359.433 3.090 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610406026 507227939 /nfs/dbraw/zinc/22/79/39/507227939.db2.gz UVBXMQZYXZDSGI-HXUWFJFHSA-N 1 2 373.460 3.417 20 30 FGEDLO N#Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc(C2CC2)n1 ZINC000601138672 507274348 /nfs/dbraw/zinc/27/43/48/507274348.db2.gz WGWBKXKSMDVERE-UHFFFAOYSA-N 1 2 370.460 3.228 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000594779281 507278833 /nfs/dbraw/zinc/27/88/33/507278833.db2.gz MLOHUCOAXHBPKW-QMTHXVAHSA-N 1 2 372.475 3.262 20 30 FGEDLO COc1cccc([C@H](Nc2ncc3c(c2C#N)CCC3)c2[nH+]ccn2C)c1 ZINC000591817916 507377284 /nfs/dbraw/zinc/37/72/84/507377284.db2.gz CYXZPCHGHZHJSC-IBGZPJMESA-N 1 2 359.433 3.386 20 30 FGEDLO CC1(C)CCCc2cc(C#N)c(N3CC[NH+](Cc4ccncc4)CC3)nc21 ZINC000584565983 507414829 /nfs/dbraw/zinc/41/48/29/507414829.db2.gz POVCQQQDIRDBBU-UHFFFAOYSA-N 1 2 361.493 3.284 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598627990 507523319 /nfs/dbraw/zinc/52/33/19/507523319.db2.gz JTGZWTKXJAYHBI-WMZOPIPTSA-N 1 2 358.482 3.228 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598627990 507523321 /nfs/dbraw/zinc/52/33/21/507523321.db2.gz JTGZWTKXJAYHBI-WMZOPIPTSA-N 1 2 358.482 3.228 20 30 FGEDLO CC(C)n1cc(C2=CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nn1 ZINC000595524307 507543248 /nfs/dbraw/zinc/54/32/48/507543248.db2.gz LCYYPPWVHUTZME-UHFFFAOYSA-N 1 2 366.425 3.318 20 30 FGEDLO CC(C)n1cc(C2=CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nn1 ZINC000595524307 507543253 /nfs/dbraw/zinc/54/32/53/507543253.db2.gz LCYYPPWVHUTZME-UHFFFAOYSA-N 1 2 366.425 3.318 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173832 507546669 /nfs/dbraw/zinc/54/66/69/507546669.db2.gz MVRSONUBDZEPDM-NRFANRHFSA-N 1 2 362.477 3.206 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000611260006 507588284 /nfs/dbraw/zinc/58/82/84/507588284.db2.gz HUDNYDPZVDAJPP-UHFFFAOYSA-N 1 2 359.433 3.294 20 30 FGEDLO N#Cc1ccc(NC2CC2)c(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602147633 507607632 /nfs/dbraw/zinc/60/76/32/507607632.db2.gz CBKUCAQGXGQKNO-HNNXBMFYSA-N 1 2 363.343 3.461 20 30 FGEDLO C=CCCSCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000595724767 507648163 /nfs/dbraw/zinc/64/81/63/507648163.db2.gz PTLGXGAIKPDLMY-UHFFFAOYSA-N 1 2 362.543 3.418 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@](O)(C3CC3)C2)sc2c1CCCCC2 ZINC000595750414 507664432 /nfs/dbraw/zinc/66/44/32/507664432.db2.gz MJEZMJRUPDXKCA-HXUWFJFHSA-N 1 2 373.522 3.064 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)sc2c1CCCCC2 ZINC000595750414 507664439 /nfs/dbraw/zinc/66/44/39/507664439.db2.gz MJEZMJRUPDXKCA-HXUWFJFHSA-N 1 2 373.522 3.064 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838910 507708236 /nfs/dbraw/zinc/70/82/36/507708236.db2.gz DSVICKXTZXVEPG-IUODEOHRSA-N 1 2 373.678 3.078 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838910 507708245 /nfs/dbraw/zinc/70/82/45/507708245.db2.gz DSVICKXTZXVEPG-IUODEOHRSA-N 1 2 373.678 3.078 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838902 507708280 /nfs/dbraw/zinc/70/82/80/507708280.db2.gz DSVICKXTZXVEPG-DOMZBBRYSA-N 1 2 373.678 3.078 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838902 507708289 /nfs/dbraw/zinc/70/82/89/507708289.db2.gz DSVICKXTZXVEPG-DOMZBBRYSA-N 1 2 373.678 3.078 20 30 FGEDLO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000592650886 507748470 /nfs/dbraw/zinc/74/84/70/507748470.db2.gz OUTDQDPMVHKEGI-IBGZPJMESA-N 1 2 369.852 3.098 20 30 FGEDLO N#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000592650886 507748476 /nfs/dbraw/zinc/74/84/76/507748476.db2.gz OUTDQDPMVHKEGI-IBGZPJMESA-N 1 2 369.852 3.098 20 30 FGEDLO C[C@@H](NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1)c1cccs1 ZINC000106067234 700506365 /nfs/dbraw/zinc/50/63/65/700506365.db2.gz NCIKCZCMNYMAKA-LLVKDONJSA-N 1 2 351.859 3.110 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000131971255 700822007 /nfs/dbraw/zinc/82/20/07/700822007.db2.gz DAKHBIWNWZWXNX-UHFFFAOYSA-N 1 2 365.773 3.103 20 30 FGEDLO COc1ccccc1-c1nc(CO[NH+]=C(N)Cc2cccnc2)cs1 ZINC000193684766 713494907 /nfs/dbraw/zinc/49/49/07/713494907.db2.gz CADCAGRERJTSOQ-UHFFFAOYSA-N 1 2 354.435 3.245 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246276417 713620912 /nfs/dbraw/zinc/62/09/12/713620912.db2.gz AOQRYUGSNKKQAP-CABCVRRESA-N 1 2 352.910 3.329 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246276417 713620915 /nfs/dbraw/zinc/62/09/15/713620915.db2.gz AOQRYUGSNKKQAP-CABCVRRESA-N 1 2 352.910 3.329 20 30 FGEDLO C=CCn1c(C2CC2)nn(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1=S ZINC000246659777 713628300 /nfs/dbraw/zinc/62/83/00/713628300.db2.gz PVBWVEAKBBWRGX-GOEBONIOSA-N 1 2 358.515 3.215 20 30 FGEDLO [O-]C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329905562 713833402 /nfs/dbraw/zinc/83/34/02/713833402.db2.gz RPMMSEDLQZDXJL-MELADBBJSA-N 1 2 358.408 3.318 20 30 FGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000329905562 713833404 /nfs/dbraw/zinc/83/34/04/713833404.db2.gz RPMMSEDLQZDXJL-MELADBBJSA-N 1 2 358.408 3.318 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000619762451 714867989 /nfs/dbraw/zinc/86/79/89/714867989.db2.gz FNWCWQGGVCXIHN-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1 ZINC000625705033 715776578 /nfs/dbraw/zinc/77/65/78/715776578.db2.gz QNCOAAAGLDFGHH-MRXNPFEDSA-N 1 2 356.495 3.175 20 30 FGEDLO C=CC[C@@H]1CC[N@H+](Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1 ZINC000625705033 715776584 /nfs/dbraw/zinc/77/65/84/715776584.db2.gz QNCOAAAGLDFGHH-MRXNPFEDSA-N 1 2 356.495 3.175 20 30 FGEDLO C=CCCn1cc(CNC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1 ZINC000657310529 719623466 /nfs/dbraw/zinc/62/34/66/719623466.db2.gz ZWLGEPCGAGTDCP-IBGZPJMESA-N 1 2 359.905 3.434 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C3\CCc4c(cnn4C)C3=O)c[nH+]c12 ZINC000783707567 724780062 /nfs/dbraw/zinc/78/00/62/724780062.db2.gz WGDJCXLLLUOUIL-IZZDOVSWSA-N 1 2 371.238 3.351 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001165033969 721872941 /nfs/dbraw/zinc/87/29/41/721872941.db2.gz ACXPFSYGQRZQET-UHFFFAOYSA-N 1 2 355.829 3.102 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000730280202 722466747 /nfs/dbraw/zinc/46/67/47/722466747.db2.gz LTWYORQBESAZQM-PBHICJAKSA-N 1 2 353.491 3.393 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000730280202 722466748 /nfs/dbraw/zinc/46/67/48/722466748.db2.gz LTWYORQBESAZQM-PBHICJAKSA-N 1 2 353.491 3.393 20 30 FGEDLO Fc1cnc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1 ZINC000760253359 723045081 /nfs/dbraw/zinc/04/50/81/723045081.db2.gz BVTVNSHLIQRXMZ-UHFFFAOYSA-N 1 2 351.788 3.472 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408558 723136341 /nfs/dbraw/zinc/13/63/41/723136341.db2.gz ZYBGULCJODXZKW-GLJUWKHASA-N 1 2 350.846 3.011 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408558 723136344 /nfs/dbraw/zinc/13/63/44/723136344.db2.gz ZYBGULCJODXZKW-GLJUWKHASA-N 1 2 350.846 3.011 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C3\CCc4nn(C)cc4C3=O)c[nH+]c12 ZINC000794961765 723553326 /nfs/dbraw/zinc/55/33/26/723553326.db2.gz KEVFFMZPPAKHBV-IZZDOVSWSA-N 1 2 371.238 3.351 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCCO1 ZINC000775791067 724061446 /nfs/dbraw/zinc/06/14/46/724061446.db2.gz RWSJZSBNMIDLOD-JKSUJKDBSA-N 1 2 358.463 3.098 20 30 FGEDLO O=[N+]([O-])c1ccc(N=NCc2cccc3[nH+]ccn32)c(Br)c1 ZINC000777449544 724227128 /nfs/dbraw/zinc/22/71/28/724227128.db2.gz AHSGQZQJMLZZBW-UHFFFAOYSA-N 1 2 360.171 3.451 20 30 FGEDLO NC(=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000814265140 726951290 /nfs/dbraw/zinc/95/12/90/726951290.db2.gz NKVFYCJLWBQUOZ-UHFFFAOYSA-N 1 2 368.162 3.334 20 30 FGEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1cc([N+](=O)[O-])ccc1N ZINC000814847618 727005709 /nfs/dbraw/zinc/00/57/09/727005709.db2.gz VTPGKASDKCOXKO-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871728252 735539300 /nfs/dbraw/zinc/53/93/00/735539300.db2.gz SOYLZDDYDCEUIJ-AWEZNQCLSA-N 1 2 355.467 3.120 20 30 FGEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCc2ccccc21 ZINC000822588241 729196878 /nfs/dbraw/zinc/19/68/78/729196878.db2.gz OXTGPMPGUARNIA-SFHVURJKSA-N 1 2 374.531 3.121 20 30 FGEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCc2ccccc21 ZINC000822588241 729196883 /nfs/dbraw/zinc/19/68/83/729196883.db2.gz OXTGPMPGUARNIA-SFHVURJKSA-N 1 2 374.531 3.121 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000831691269 729661813 /nfs/dbraw/zinc/66/18/13/729661813.db2.gz KOKNUYOZVIZATM-UHFFFAOYSA-N 1 2 357.237 3.151 20 30 FGEDLO Cn1nncc1N[NH+]=Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841639887 730261193 /nfs/dbraw/zinc/26/11/93/730261193.db2.gz HSQQYBTUKWQZMA-UHFFFAOYSA-N 1 2 363.263 3.014 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372254 730709221 /nfs/dbraw/zinc/70/92/21/730709221.db2.gz XMTOIMSFPIMMJX-GOSISDBHSA-N 1 2 358.825 3.164 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372254 730709224 /nfs/dbraw/zinc/70/92/24/730709224.db2.gz XMTOIMSFPIMMJX-GOSISDBHSA-N 1 2 358.825 3.164 20 30 FGEDLO N#Cc1nc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)sc1Cl ZINC000853244911 731687132 /nfs/dbraw/zinc/68/71/32/731687132.db2.gz QXHIECLBSBQQSY-UHFFFAOYSA-N 1 2 361.858 3.113 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000853524801 731717517 /nfs/dbraw/zinc/71/75/17/731717517.db2.gz QLTOTSASWZLNOH-CQSZACIVSA-N 1 2 374.282 3.258 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000853524801 731717520 /nfs/dbraw/zinc/71/75/20/731717520.db2.gz QLTOTSASWZLNOH-CQSZACIVSA-N 1 2 374.282 3.258 20 30 FGEDLO C[C@@H]1CN(c2ccc(NCc3cc(C#N)cnc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000877160978 736193757 /nfs/dbraw/zinc/19/37/57/736193757.db2.gz CBFJMBFZJWKLIH-BETUJISGSA-N 1 2 357.845 3.227 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000877479800 736225679 /nfs/dbraw/zinc/22/56/79/736225679.db2.gz YABLEQQJODNLIO-GFCCVEGCSA-N 1 2 353.260 3.343 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617254 736694070 /nfs/dbraw/zinc/69/40/70/736694070.db2.gz UJPCVDMQAJNSEO-IUODEOHRSA-N 1 2 364.877 3.484 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617254 736694077 /nfs/dbraw/zinc/69/40/77/736694077.db2.gz UJPCVDMQAJNSEO-IUODEOHRSA-N 1 2 364.877 3.484 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000877745461 736713099 /nfs/dbraw/zinc/71/30/99/736713099.db2.gz VXEFHSMUTKDUNO-SFHVURJKSA-N 1 2 354.479 3.188 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878334118 736808185 /nfs/dbraw/zinc/80/81/85/736808185.db2.gz OSGFVWIOSPFJFR-HNNXBMFYSA-N 1 2 374.238 3.131 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000878334118 736808192 /nfs/dbraw/zinc/80/81/92/736808192.db2.gz OSGFVWIOSPFJFR-HNNXBMFYSA-N 1 2 374.238 3.131 20 30 FGEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000879759606 737042585 /nfs/dbraw/zinc/04/25/85/737042585.db2.gz SYKLERWTXCZDKZ-UHFFFAOYSA-N 1 2 363.889 3.323 20 30 FGEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000879759606 737042590 /nfs/dbraw/zinc/04/25/90/737042590.db2.gz SYKLERWTXCZDKZ-UHFFFAOYSA-N 1 2 363.889 3.323 20 30 FGEDLO CC#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000883157068 737530307 /nfs/dbraw/zinc/53/03/07/737530307.db2.gz LMKJCETZGVEGLI-INIZCTEOSA-N 1 2 357.479 3.000 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cs1 ZINC000893933315 742215487 /nfs/dbraw/zinc/21/54/87/742215487.db2.gz OUJKWOICQCKENP-UHFFFAOYSA-N 1 2 373.429 3.202 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cs1 ZINC000893933315 742215490 /nfs/dbraw/zinc/21/54/90/742215490.db2.gz OUJKWOICQCKENP-UHFFFAOYSA-N 1 2 373.429 3.202 20 30 FGEDLO C#C[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(Br)cc1 ZINC000894870783 742345320 /nfs/dbraw/zinc/34/53/20/742345320.db2.gz PERCHPHVXGODSK-HZMBPMFUSA-N 1 2 351.269 3.423 20 30 FGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)c([N+](=O)[O-])s1 ZINC000894979562 742359804 /nfs/dbraw/zinc/35/98/04/742359804.db2.gz XICILJWTYHPXNG-UHFFFAOYSA-N 1 2 361.452 3.088 20 30 FGEDLO Cn1ccc(-c2nc(CNc3[nH+]cccc3OCCCC#N)cs2)n1 ZINC000905411522 744020057 /nfs/dbraw/zinc/02/00/57/744020057.db2.gz KINNATHZRPHRDV-UHFFFAOYSA-N 1 2 354.439 3.233 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000950593473 762442556 /nfs/dbraw/zinc/44/25/56/762442556.db2.gz CCQAEUWPEORDDQ-MJGOQNOKSA-N 1 2 362.901 3.008 20 30 FGEDLO Fc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c(Br)c1 ZINC000914773802 757837560 /nfs/dbraw/zinc/83/75/60/757837560.db2.gz XTAOKRODFATVSW-UHFFFAOYSA-N 1 2 364.222 3.424 20 30 FGEDLO C=CCn1nnn(C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)c1=S ZINC000919945904 758491106 /nfs/dbraw/zinc/49/11/06/758491106.db2.gz RDLKOJDHHYEIKN-AWEZNQCLSA-N 1 2 359.499 3.262 20 30 FGEDLO C=CCn1nnn(C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)c1=S ZINC000919945904 758491109 /nfs/dbraw/zinc/49/11/09/758491109.db2.gz RDLKOJDHHYEIKN-AWEZNQCLSA-N 1 2 359.499 3.262 20 30 FGEDLO C=C(Br)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000921071323 758642460 /nfs/dbraw/zinc/64/24/60/758642460.db2.gz CRKMTYOIDMEXQA-JTQLQIEISA-N 1 2 373.320 3.405 20 30 FGEDLO C=C(Br)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000921071323 758642464 /nfs/dbraw/zinc/64/24/64/758642464.db2.gz CRKMTYOIDMEXQA-JTQLQIEISA-N 1 2 373.320 3.405 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953903 758827070 /nfs/dbraw/zinc/82/70/70/758827070.db2.gz ZBJAOQLVYLBPFS-MSOLQXFVSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953903 758827081 /nfs/dbraw/zinc/82/70/81/758827081.db2.gz ZBJAOQLVYLBPFS-MSOLQXFVSA-N 1 2 361.898 3.435 20 30 FGEDLO FC(F)C(F)(F)CN1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929651360 760426956 /nfs/dbraw/zinc/42/69/56/760426956.db2.gz WGOQVHIKYMFVKY-GHMZBOCLSA-N 1 2 366.321 3.004 20 30 FGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775025 761470988 /nfs/dbraw/zinc/47/09/88/761470988.db2.gz IIJNXBCYQXLWOW-AWEZNQCLSA-N 1 2 357.479 3.280 20 30 FGEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775025 761470993 /nfs/dbraw/zinc/47/09/93/761470993.db2.gz IIJNXBCYQXLWOW-AWEZNQCLSA-N 1 2 357.479 3.280 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777416 761471891 /nfs/dbraw/zinc/47/18/91/761471891.db2.gz SINPPADFVNCAHC-GFCCVEGCSA-N 1 2 356.451 3.037 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777416 761471894 /nfs/dbraw/zinc/47/18/94/761471894.db2.gz SINPPADFVNCAHC-GFCCVEGCSA-N 1 2 356.451 3.037 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC000974586381 763033276 /nfs/dbraw/zinc/03/32/76/763033276.db2.gz DWJDBYXUMOJREC-RDBSUJKOSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC000974586381 763033282 /nfs/dbraw/zinc/03/32/82/763033282.db2.gz DWJDBYXUMOJREC-RDBSUJKOSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001014469320 765783156 /nfs/dbraw/zinc/78/31/56/765783156.db2.gz LNJKLBBQNSEAEU-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001014469320 765783160 /nfs/dbraw/zinc/78/31/60/765783160.db2.gz LNJKLBBQNSEAEU-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015829393 765812120 /nfs/dbraw/zinc/81/21/20/765812120.db2.gz SOTUGQXEUNWXCY-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015829393 765812128 /nfs/dbraw/zinc/81/21/28/765812128.db2.gz SOTUGQXEUNWXCY-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001023376160 766034875 /nfs/dbraw/zinc/03/48/75/766034875.db2.gz XJGUSXZPXZNWEM-SBNCTSQUSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001023376160 766034881 /nfs/dbraw/zinc/03/48/81/766034881.db2.gz XJGUSXZPXZNWEM-SBNCTSQUSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001028032190 766109121 /nfs/dbraw/zinc/10/91/21/766109121.db2.gz PAAYZFKAIKQQRK-QRVBRYPASA-N 1 2 362.901 3.110 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001028032190 766109123 /nfs/dbraw/zinc/10/91/23/766109123.db2.gz PAAYZFKAIKQQRK-QRVBRYPASA-N 1 2 362.901 3.110 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001033157786 766207892 /nfs/dbraw/zinc/20/78/92/766207892.db2.gz SDFRYGLGPCXOQY-QRVBRYPASA-N 1 2 362.901 3.440 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001033157786 766207900 /nfs/dbraw/zinc/20/79/00/766207900.db2.gz SDFRYGLGPCXOQY-QRVBRYPASA-N 1 2 362.901 3.440 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001033431959 766214750 /nfs/dbraw/zinc/21/47/50/766214750.db2.gz IZEMYFPQHWJFAU-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001033431959 766214755 /nfs/dbraw/zinc/21/47/55/766214755.db2.gz IZEMYFPQHWJFAU-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034320750 766237168 /nfs/dbraw/zinc/23/71/68/766237168.db2.gz OCJWDUYFMINVMT-JYJNAYRXSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034320750 766237171 /nfs/dbraw/zinc/23/71/71/766237171.db2.gz OCJWDUYFMINVMT-JYJNAYRXSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034436573 766242344 /nfs/dbraw/zinc/24/23/44/766242344.db2.gz SDTZNTSQJLKFHL-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034436573 766242347 /nfs/dbraw/zinc/24/23/47/766242347.db2.gz SDTZNTSQJLKFHL-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038808514 766290398 /nfs/dbraw/zinc/29/03/98/766290398.db2.gz RCHNYSPNDZNKHU-XEZPLFJOSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038808514 766290406 /nfs/dbraw/zinc/29/04/06/766290406.db2.gz RCHNYSPNDZNKHU-XEZPLFJOSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC001043922627 766484222 /nfs/dbraw/zinc/48/42/22/766484222.db2.gz FUWGKZMPHCMPCX-QRQLOZEOSA-N 1 2 360.885 3.061 20 30 FGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)cc2C1 ZINC001054264962 767003916 /nfs/dbraw/zinc/00/39/16/767003916.db2.gz XLQWWYITKMEXGT-RTBURBONSA-N 1 2 350.487 3.425 20 30 FGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3sccc3C)cc2C1 ZINC001054264962 767003927 /nfs/dbraw/zinc/00/39/27/767003927.db2.gz XLQWWYITKMEXGT-RTBURBONSA-N 1 2 350.487 3.425 20 30 FGEDLO CCn1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC000108467132 209287652 /nfs/dbraw/zinc/28/76/52/209287652.db2.gz SYARFDCASIACDD-UHFFFAOYSA-N 1 2 372.472 3.491 20 30 FGEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000567915552 505574469 /nfs/dbraw/zinc/57/44/69/505574469.db2.gz WODQLVSBRVWSGL-HNNXBMFYSA-N 1 2 364.478 3.084 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000571049251 505641903 /nfs/dbraw/zinc/64/19/03/505641903.db2.gz GMBSDXOVVWEAMC-MRXNPFEDSA-N 1 2 351.237 3.115 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277589 506395811 /nfs/dbraw/zinc/39/58/11/506395811.db2.gz OKXOMDLDYZCGEE-ABAIWWIYSA-N 1 2 350.260 3.184 20 30 FGEDLO COc1ccc([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000028620630 493794493 /nfs/dbraw/zinc/79/44/93/493794493.db2.gz AKMQXSONVIAYGC-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000029447737 493839480 /nfs/dbraw/zinc/83/94/80/493839480.db2.gz BIJVWJMVEWGKJN-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC000029626563 493847543 /nfs/dbraw/zinc/84/75/43/493847543.db2.gz KADOVXLTQGTIJP-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1 ZINC000029920374 493867518 /nfs/dbraw/zinc/86/75/18/493867518.db2.gz OWDHPKLJQTXMJR-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000068884610 493888563 /nfs/dbraw/zinc/88/85/63/493888563.db2.gz GXJGKUWMNHSCQA-UHFFFAOYSA-N 1 2 363.465 3.031 20 30 FGEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000076727310 493960589 /nfs/dbraw/zinc/96/05/89/493960589.db2.gz OPUCAZOPRHWMEQ-CQSZACIVSA-N 1 2 356.426 3.082 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000007719600 494038113 /nfs/dbraw/zinc/03/81/13/494038113.db2.gz BBRNROPGVLEDDK-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000007719600 494038115 /nfs/dbraw/zinc/03/81/15/494038115.db2.gz BBRNROPGVLEDDK-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063299787 494041889 /nfs/dbraw/zinc/04/18/89/494041889.db2.gz WFNCWVLZGJIFQM-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063299787 494041892 /nfs/dbraw/zinc/04/18/92/494041892.db2.gz WFNCWVLZGJIFQM-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063300665 494042417 /nfs/dbraw/zinc/04/24/17/494042417.db2.gz ZZBHEZHCRXXBBM-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063300665 494042419 /nfs/dbraw/zinc/04/24/19/494042419.db2.gz ZZBHEZHCRXXBBM-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000008118054 494068314 /nfs/dbraw/zinc/06/83/14/494068314.db2.gz QTHVMLPKQLKRIM-QGZVFWFLSA-N 1 2 350.809 3.465 20 30 FGEDLO COc1ccc(C2=CC[N@H+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000052935300 494077066 /nfs/dbraw/zinc/07/70/66/494077066.db2.gz KUMXWHWNISWXEE-UHFFFAOYSA-N 1 2 353.447 3.356 20 30 FGEDLO COc1ccc(C2=CC[N@@H+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000052935300 494077070 /nfs/dbraw/zinc/07/70/70/494077070.db2.gz KUMXWHWNISWXEE-UHFFFAOYSA-N 1 2 353.447 3.356 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000063703851 494077510 /nfs/dbraw/zinc/07/75/10/494077510.db2.gz NWKZINMSKRDZHT-UHFFFAOYSA-N 1 2 372.428 3.374 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)c(C#N)c1C ZINC000011759201 494190006 /nfs/dbraw/zinc/19/00/06/494190006.db2.gz JIQVZIOISDJJHW-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)c(C#N)c1C ZINC000011759201 494190011 /nfs/dbraw/zinc/19/00/11/494190011.db2.gz JIQVZIOISDJJHW-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000077862525 494193092 /nfs/dbraw/zinc/19/30/92/494193092.db2.gz OCDXGBCBWYMQLN-UHFFFAOYSA-N 1 2 366.465 3.250 20 30 FGEDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000054093674 494194057 /nfs/dbraw/zinc/19/40/57/494194057.db2.gz HNBUWIUILWIKGF-UHFFFAOYSA-N 1 2 366.440 3.033 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000054271852 494215037 /nfs/dbraw/zinc/21/50/37/494215037.db2.gz KQPISXDLYROAGH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000054271852 494215042 /nfs/dbraw/zinc/21/50/42/494215042.db2.gz KQPISXDLYROAGH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000072689496 494234211 /nfs/dbraw/zinc/23/42/11/494234211.db2.gz JLRIPUDPRWGNAJ-UHFFFAOYSA-N 1 2 374.510 3.079 20 30 FGEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000072689496 494234214 /nfs/dbraw/zinc/23/42/14/494234214.db2.gz JLRIPUDPRWGNAJ-UHFFFAOYSA-N 1 2 374.510 3.079 20 30 FGEDLO Cc1nnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C#N)c1C ZINC000078413008 494293600 /nfs/dbraw/zinc/29/36/00/494293600.db2.gz FJKPLCLBRLESRE-UHFFFAOYSA-N 1 2 350.470 3.112 20 30 FGEDLO Cc1nnc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C#N)c1C ZINC000078413008 494293603 /nfs/dbraw/zinc/29/36/03/494293603.db2.gz FJKPLCLBRLESRE-UHFFFAOYSA-N 1 2 350.470 3.112 20 30 FGEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616075 494330871 /nfs/dbraw/zinc/33/08/71/494330871.db2.gz KDVVKWTWBFTUCK-TYPHKJRUSA-N 1 2 368.525 3.048 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)c1 ZINC000043984521 494333240 /nfs/dbraw/zinc/33/32/40/494333240.db2.gz BIQCFHNJFLAPIB-LJQANCHMSA-N 1 2 360.417 3.321 20 30 FGEDLO COc1ccccc1[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000574182213 505713982 /nfs/dbraw/zinc/71/39/82/505713982.db2.gz DRGXBMUHWXQZIG-NRFANRHFSA-N 1 2 369.428 3.489 20 30 FGEDLO Cc1ccccc1SCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017701946 494416636 /nfs/dbraw/zinc/41/66/36/494416636.db2.gz ABFDJAGDYZBXGV-UHFFFAOYSA-N 1 2 365.502 3.303 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000574209971 505720948 /nfs/dbraw/zinc/72/09/48/505720948.db2.gz KDAJRDJYPDUMSS-HXUWFJFHSA-N 1 2 371.868 3.493 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccccc3)CC2)cc1 ZINC000017843453 494418477 /nfs/dbraw/zinc/41/84/77/494418477.db2.gz SLMPXNNNBDUHLU-UHFFFAOYSA-N 1 2 365.502 3.385 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000045909991 494475424 /nfs/dbraw/zinc/47/54/24/494475424.db2.gz CPHFGADMHHHPJE-INIZCTEOSA-N 1 2 358.423 3.013 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021404894 494495782 /nfs/dbraw/zinc/49/57/82/494495782.db2.gz UYVUTOWIWXFYED-SFHVURJKSA-N 1 2 362.477 3.093 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021404894 494495786 /nfs/dbraw/zinc/49/57/86/494495786.db2.gz UYVUTOWIWXFYED-SFHVURJKSA-N 1 2 362.477 3.093 20 30 FGEDLO Cc1nc(SCC(=O)N(C)c2ccc[nH+]c2N(C)C)c(C#N)c(C)c1C ZINC000079723071 494515502 /nfs/dbraw/zinc/51/55/02/494515502.db2.gz NFCKZRHZNWLYPY-UHFFFAOYSA-N 1 2 369.494 3.095 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056802578 494566453 /nfs/dbraw/zinc/56/64/53/494566453.db2.gz LWFHBRBDXKTYDG-UHFFFAOYSA-N 1 2 361.405 3.464 20 30 FGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cc(C#N)cs1)CC3 ZINC000092261341 494579069 /nfs/dbraw/zinc/57/90/69/494579069.db2.gz UQAOOYLAXXXWGC-UHFFFAOYSA-N 1 2 351.431 3.446 20 30 FGEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cc(C#N)cs1)CC3 ZINC000092261341 494579071 /nfs/dbraw/zinc/57/90/71/494579071.db2.gz UQAOOYLAXXXWGC-UHFFFAOYSA-N 1 2 351.431 3.446 20 30 FGEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000131442491 494620909 /nfs/dbraw/zinc/62/09/09/494620909.db2.gz JGPLJDRVJGKINV-INIZCTEOSA-N 1 2 370.280 3.129 20 30 FGEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000131442491 494620928 /nfs/dbraw/zinc/62/09/28/494620928.db2.gz JGPLJDRVJGKINV-INIZCTEOSA-N 1 2 370.280 3.129 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000047053021 494628245 /nfs/dbraw/zinc/62/82/45/494628245.db2.gz JDUNYYHGVITSHD-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126211412 494673839 /nfs/dbraw/zinc/67/38/39/494673839.db2.gz SVBTVCAWPJMQJA-QGZVFWFLSA-N 1 2 358.449 3.022 20 30 FGEDLO N#CCC[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000131696132 494703088 /nfs/dbraw/zinc/70/30/88/494703088.db2.gz MNXRDTZJTYUTAX-SFHVURJKSA-N 1 2 360.421 3.112 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)[nH+]c12 ZINC000075299648 494723197 /nfs/dbraw/zinc/72/31/97/494723197.db2.gz JZFRRUDFVIIOHV-PMACEKPBSA-N 1 2 358.445 3.484 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326952 494762259 /nfs/dbraw/zinc/76/22/59/494762259.db2.gz CHDYDPOIBYQCJO-RHSMWYFYSA-N 1 2 365.930 3.438 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326952 494762265 /nfs/dbraw/zinc/76/22/65/494762265.db2.gz CHDYDPOIBYQCJO-RHSMWYFYSA-N 1 2 365.930 3.438 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c(C)c1C ZINC000075552992 494793188 /nfs/dbraw/zinc/79/31/88/494793188.db2.gz JCGUTQMCYDLVFJ-HNNXBMFYSA-N 1 2 369.494 3.100 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cn2c1 ZINC000116807751 494855722 /nfs/dbraw/zinc/85/57/22/494855722.db2.gz YYIMDYJAJVMYSU-AUUYWEPGSA-N 1 2 356.495 3.465 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c(Br)c1 ZINC000121900348 494885085 /nfs/dbraw/zinc/88/50/85/494885085.db2.gz HRUYHQSJWKEVPN-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)n2c1 ZINC000093566186 494901929 /nfs/dbraw/zinc/90/19/29/494901929.db2.gz ALEPFUVBGRNFCC-UHFFFAOYSA-N 1 2 374.370 3.327 20 30 FGEDLO CC[N@H+](CCS(C)(=O)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093816171 494924512 /nfs/dbraw/zinc/92/45/12/494924512.db2.gz RMUTYOCAGMIMST-UHFFFAOYSA-N 1 2 372.490 3.004 20 30 FGEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093816171 494924518 /nfs/dbraw/zinc/92/45/18/494924518.db2.gz RMUTYOCAGMIMST-UHFFFAOYSA-N 1 2 372.490 3.004 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1OC ZINC000093883191 494930745 /nfs/dbraw/zinc/93/07/45/494930745.db2.gz AQHWLGBKCXJSLT-CQSZACIVSA-N 1 2 358.404 3.328 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000110116420 494950246 /nfs/dbraw/zinc/95/02/46/494950246.db2.gz QPELELDYYNGUSB-SFHVURJKSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000110116420 494950247 /nfs/dbraw/zinc/95/02/47/494950247.db2.gz QPELELDYYNGUSB-SFHVURJKSA-N 1 2 351.454 3.092 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000133070876 494964559 /nfs/dbraw/zinc/96/45/59/494964559.db2.gz RZVANMULBFOLBZ-UHFFFAOYSA-N 1 2 373.478 3.440 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393579 494999574 /nfs/dbraw/zinc/99/95/74/494999574.db2.gz ZWLNSLWAPAGITD-KRWDZBQOSA-N 1 2 363.461 3.476 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000111250844 495055182 /nfs/dbraw/zinc/05/51/82/495055182.db2.gz CSEWFIJPVQIRCO-UHFFFAOYSA-N 1 2 371.403 3.463 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000111250844 495055184 /nfs/dbraw/zinc/05/51/84/495055184.db2.gz CSEWFIJPVQIRCO-UHFFFAOYSA-N 1 2 371.403 3.463 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c(C)c1 ZINC000101554734 495076120 /nfs/dbraw/zinc/07/61/20/495076120.db2.gz SBMCXEKBTPEPKB-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000128415602 495093437 /nfs/dbraw/zinc/09/34/37/495093437.db2.gz SUNYOPDVHMBMMH-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000128415602 495093442 /nfs/dbraw/zinc/09/34/42/495093442.db2.gz SUNYOPDVHMBMMH-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC=C(c3cccs3)CC2)c1 ZINC000128671138 495133336 /nfs/dbraw/zinc/13/33/36/495133336.db2.gz BTMBFGTVFUTDLH-UHFFFAOYSA-N 1 2 358.488 3.183 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC=C(c3cccs3)CC2)c1 ZINC000128671138 495133340 /nfs/dbraw/zinc/13/33/40/495133340.db2.gz BTMBFGTVFUTDLH-UHFFFAOYSA-N 1 2 358.488 3.183 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000129073331 495192619 /nfs/dbraw/zinc/19/26/19/495192619.db2.gz HWNCXCOONMOKOK-QGZVFWFLSA-N 1 2 366.421 3.426 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000103139728 495197301 /nfs/dbraw/zinc/19/73/01/495197301.db2.gz QVTSSQHTYLOCCN-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000103139728 495197307 /nfs/dbraw/zinc/19/73/07/495197307.db2.gz QVTSSQHTYLOCCN-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1cccc(C#N)c1 ZINC000119652119 495210207 /nfs/dbraw/zinc/21/02/07/495210207.db2.gz BYSRGEHECQMZHE-QGZVFWFLSA-N 1 2 365.399 3.347 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1cccc(C#N)c1 ZINC000119652119 495210209 /nfs/dbraw/zinc/21/02/09/495210209.db2.gz BYSRGEHECQMZHE-QGZVFWFLSA-N 1 2 365.399 3.347 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000129230269 495214584 /nfs/dbraw/zinc/21/45/84/495214584.db2.gz KJKZSQGNPUPBGJ-MRXNPFEDSA-N 1 2 369.490 3.098 20 30 FGEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000104836938 495309399 /nfs/dbraw/zinc/30/93/99/495309399.db2.gz WIQYDDDOODRXIG-QGZVFWFLSA-N 1 2 354.479 3.418 20 30 FGEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000104836938 495309402 /nfs/dbraw/zinc/30/94/02/495309402.db2.gz WIQYDDDOODRXIG-QGZVFWFLSA-N 1 2 354.479 3.418 20 30 FGEDLO CN(c1ccccc1)c1ccc(C[NH+]2CCN(CC#N)CC2)cc1[N+](=O)[O-] ZINC000129921346 495314666 /nfs/dbraw/zinc/31/46/66/495314666.db2.gz WJBFNAXNUBVEPL-UHFFFAOYSA-N 1 2 365.437 3.004 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1cccs1 ZINC000136274146 495369260 /nfs/dbraw/zinc/36/92/60/495369260.db2.gz JHERHDZTDFYVRC-UHFFFAOYSA-N 1 2 350.513 3.425 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1cccs1 ZINC000136274146 495369265 /nfs/dbraw/zinc/36/92/65/495369265.db2.gz JHERHDZTDFYVRC-UHFFFAOYSA-N 1 2 350.513 3.425 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)ccc1F ZINC000120634254 495423542 /nfs/dbraw/zinc/42/35/42/495423542.db2.gz OYITYJGUXGVAHA-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120750923 495449916 /nfs/dbraw/zinc/44/99/16/495449916.db2.gz VKASSYRKJKKMQL-IUODEOHRSA-N 1 2 361.492 3.472 20 30 FGEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccsc2)O1 ZINC000120750923 495449919 /nfs/dbraw/zinc/44/99/19/495449919.db2.gz VKASSYRKJKKMQL-IUODEOHRSA-N 1 2 361.492 3.472 20 30 FGEDLO C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000130912610 495466269 /nfs/dbraw/zinc/46/62/69/495466269.db2.gz ZHFIJKAAHRIKEC-WOJBJXKFSA-N 1 2 357.498 3.200 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C#N)c1C ZINC000130971252 495473246 /nfs/dbraw/zinc/47/32/46/495473246.db2.gz FBKFRYDPJNPITL-UHFFFAOYSA-N 1 2 368.393 3.279 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C#N)c1C ZINC000130971252 495473251 /nfs/dbraw/zinc/47/32/51/495473251.db2.gz FBKFRYDPJNPITL-UHFFFAOYSA-N 1 2 368.393 3.279 20 30 FGEDLO CC(C)=C[C@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000139407666 495477070 /nfs/dbraw/zinc/47/70/70/495477070.db2.gz QMHPWKHMXRTMPX-VQTJNVASSA-N 1 2 351.494 3.441 20 30 FGEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000115292842 495486464 /nfs/dbraw/zinc/48/64/64/495486464.db2.gz MJZLOFVSWKQOJQ-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534513 495514196 /nfs/dbraw/zinc/51/41/96/495514196.db2.gz NBQYACHIOVNQIY-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534513 495514200 /nfs/dbraw/zinc/51/42/00/495514200.db2.gz NBQYACHIOVNQIY-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO COCC[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000170727307 495581107 /nfs/dbraw/zinc/58/11/07/495581107.db2.gz IPTDXCZJGUVHAC-UHFFFAOYSA-N 1 2 361.449 3.002 20 30 FGEDLO COCC[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000170727307 495581111 /nfs/dbraw/zinc/58/11/11/495581111.db2.gz IPTDXCZJGUVHAC-UHFFFAOYSA-N 1 2 361.449 3.002 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000154405851 495607245 /nfs/dbraw/zinc/60/72/45/495607245.db2.gz VYMXQFHOACDXKB-QGZVFWFLSA-N 1 2 370.474 3.362 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)c1 ZINC000154405851 495607251 /nfs/dbraw/zinc/60/72/51/495607251.db2.gz VYMXQFHOACDXKB-QGZVFWFLSA-N 1 2 370.474 3.362 20 30 FGEDLO CC(C)(C)c1csc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000154579453 495660616 /nfs/dbraw/zinc/66/06/16/495660616.db2.gz AFJIXJMQAQGCAT-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO CC(C)(C)c1csc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000154579453 495660623 /nfs/dbraw/zinc/66/06/23/495660623.db2.gz AFJIXJMQAQGCAT-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)n1 ZINC000173858801 495721730 /nfs/dbraw/zinc/72/17/30/495721730.db2.gz XIFFVLZWQDOWRM-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159567431 495760347 /nfs/dbraw/zinc/76/03/47/495760347.db2.gz XTGOOOVJAQAYGI-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1Br ZINC000179986273 495810555 /nfs/dbraw/zinc/81/05/55/495810555.db2.gz UFMQJXAWWYGVQK-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1ccccc1N1CCCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000171378815 495846401 /nfs/dbraw/zinc/84/64/01/495846401.db2.gz NNYACCZYIPASCP-UHFFFAOYSA-N 1 2 363.387 3.029 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000155240700 495887778 /nfs/dbraw/zinc/88/77/78/495887778.db2.gz GGKIWLCUQWAVRL-GOSISDBHSA-N 1 2 352.825 3.433 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000155257970 495894602 /nfs/dbraw/zinc/89/46/02/495894602.db2.gz YEEFXMWTDUWHMZ-JOCHJYFZSA-N 1 2 357.461 3.459 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000568935399 505811417 /nfs/dbraw/zinc/81/14/17/505811417.db2.gz UZISCTKQRMWFKL-UHFFFAOYSA-N 1 2 366.513 3.479 20 30 FGEDLO N#Cc1cccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000177101839 495926374 /nfs/dbraw/zinc/92/63/74/495926374.db2.gz ANGRFDXBGXTGAK-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000180319897 495950274 /nfs/dbraw/zinc/95/02/74/495950274.db2.gz NDVXUSKSECLGSD-UHFFFAOYSA-N 1 2 356.429 3.417 20 30 FGEDLO Cc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)[nH+]1 ZINC000152151660 496063426 /nfs/dbraw/zinc/06/34/26/496063426.db2.gz WVQZUFCEBSAALL-UHFFFAOYSA-N 1 2 353.401 3.063 20 30 FGEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000161138694 496112198 /nfs/dbraw/zinc/11/21/98/496112198.db2.gz OXTLMCNGDDJFKC-KRWDZBQOSA-N 1 2 366.465 3.247 20 30 FGEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000161138694 496112203 /nfs/dbraw/zinc/11/22/03/496112203.db2.gz OXTLMCNGDDJFKC-KRWDZBQOSA-N 1 2 366.465 3.247 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c2ccccc21 ZINC000152547502 496183750 /nfs/dbraw/zinc/18/37/50/496183750.db2.gz HFTJAHAQVHFDQK-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c2ccccc21 ZINC000152547502 496183756 /nfs/dbraw/zinc/18/37/56/496183756.db2.gz HFTJAHAQVHFDQK-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO N#CCCN(CCCc1ccc(C(F)(F)F)cc1)CC[NH+]1CCOCC1 ZINC000177815105 496207094 /nfs/dbraw/zinc/20/70/94/496207094.db2.gz SRIGGVUITAGWPV-UHFFFAOYSA-N 1 2 369.431 3.186 20 30 FGEDLO Cc1csc(C2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000156691770 496312283 /nfs/dbraw/zinc/31/22/83/496312283.db2.gz ANZYDAWLZKBZMN-UHFFFAOYSA-N 1 2 358.467 3.351 20 30 FGEDLO C[C@]1(c2ccccc2)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156752831 496326816 /nfs/dbraw/zinc/32/68/16/496326816.db2.gz LBMGCOHFQKZDSK-NRFANRHFSA-N 1 2 368.502 3.386 20 30 FGEDLO C[C@]1(c2ccccc2)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156752831 496326819 /nfs/dbraw/zinc/32/68/19/496326819.db2.gz LBMGCOHFQKZDSK-NRFANRHFSA-N 1 2 368.502 3.386 20 30 FGEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000181273701 496335858 /nfs/dbraw/zinc/33/58/58/496335858.db2.gz IFCLKNQUBRNHSI-UHFFFAOYSA-N 1 2 361.467 3.274 20 30 FGEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000181273701 496335863 /nfs/dbraw/zinc/33/58/63/496335863.db2.gz IFCLKNQUBRNHSI-UHFFFAOYSA-N 1 2 361.467 3.274 20 30 FGEDLO N#Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc4c(s3)SCC(=O)N4)n2c1 ZINC000184343793 496342714 /nfs/dbraw/zinc/34/27/14/496342714.db2.gz RFJZXMBRDLNCTH-NSCUHMNNSA-N 1 2 366.427 3.208 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187247283 496359399 /nfs/dbraw/zinc/35/93/99/496359399.db2.gz CTGCHCNBTUFABO-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187247283 496359406 /nfs/dbraw/zinc/35/94/06/496359406.db2.gz CTGCHCNBTUFABO-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262050 496366398 /nfs/dbraw/zinc/36/63/98/496366398.db2.gz PBJIKTFJGJCNJF-HNNXBMFYSA-N 1 2 357.801 3.201 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262050 496366402 /nfs/dbraw/zinc/36/64/02/496366402.db2.gz PBJIKTFJGJCNJF-HNNXBMFYSA-N 1 2 357.801 3.201 20 30 FGEDLO C#Cc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000187382021 496419982 /nfs/dbraw/zinc/41/99/82/496419982.db2.gz FWNUGNSPUHCKMZ-UHFFFAOYSA-N 1 2 372.428 3.321 20 30 FGEDLO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000172800545 496436904 /nfs/dbraw/zinc/43/69/04/496436904.db2.gz FHQALTMCMIBWSC-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000178570473 496502247 /nfs/dbraw/zinc/50/22/47/496502247.db2.gz MFYBIKQVILMKEN-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000157595768 496511301 /nfs/dbraw/zinc/51/13/01/496511301.db2.gz XNJFYBDUDLDMBY-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)cc1C#N ZINC000157750154 496546115 /nfs/dbraw/zinc/54/61/15/496546115.db2.gz ZVLOWNWBMGGVHU-UHFFFAOYSA-N 1 2 353.426 3.128 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185087031 496653810 /nfs/dbraw/zinc/65/38/10/496653810.db2.gz NMEIZIHHLBTDOC-RDTXWAMCSA-N 1 2 357.454 3.245 20 30 FGEDLO Cn1cc(CNc2ccc(-n3cc[nH+]c3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000182174287 496697287 /nfs/dbraw/zinc/69/72/87/496697287.db2.gz BLXYQMFFCVXZAZ-UHFFFAOYSA-N 1 2 355.405 3.152 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000185194379 496699281 /nfs/dbraw/zinc/69/92/81/496699281.db2.gz YNQYPRBQGQMPSA-LSDHHAIUSA-N 1 2 369.469 3.353 20 30 FGEDLO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966590 496776452 /nfs/dbraw/zinc/77/64/52/496776452.db2.gz MZMRWBZKVAWKHD-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966590 496776456 /nfs/dbraw/zinc/77/64/56/496776456.db2.gz MZMRWBZKVAWKHD-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000273487043 496821113 /nfs/dbraw/zinc/82/11/13/496821113.db2.gz JQPVLGVGFYCYBP-LPHOPBHVSA-N 1 2 369.465 3.454 20 30 FGEDLO CCC(CC)n1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000269271429 496909337 /nfs/dbraw/zinc/90/93/37/496909337.db2.gz LWGIBEWAMKUJCS-UHFFFAOYSA-N 1 2 365.481 3.074 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264778836 496984198 /nfs/dbraw/zinc/98/41/98/496984198.db2.gz LYBQHSVICXJAFK-UHFFFAOYSA-N 1 2 372.513 3.196 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189112995 497012294 /nfs/dbraw/zinc/01/22/94/497012294.db2.gz DXQZXXGTBALJKV-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCC(CCC#N)CC1)C2 ZINC000578189420 505883032 /nfs/dbraw/zinc/88/30/32/505883032.db2.gz QAXARWBISZHTQH-MRXNPFEDSA-N 1 2 357.502 3.221 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000248684239 497079437 /nfs/dbraw/zinc/07/94/37/497079437.db2.gz GRXMWEVCYUWCQT-SZNDQCEHSA-N 1 2 365.433 3.227 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000248684239 497079440 /nfs/dbraw/zinc/07/94/40/497079440.db2.gz GRXMWEVCYUWCQT-SZNDQCEHSA-N 1 2 365.433 3.227 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccncc1 ZINC000270970957 497236577 /nfs/dbraw/zinc/23/65/77/497236577.db2.gz CMEUOTPASZFHAN-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccncc1 ZINC000270970957 497236583 /nfs/dbraw/zinc/23/65/83/497236583.db2.gz CMEUOTPASZFHAN-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271104617 497265204 /nfs/dbraw/zinc/26/52/04/497265204.db2.gz UOVDAFVFLLYJFD-GOSISDBHSA-N 1 2 372.469 3.328 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000575008386 505904153 /nfs/dbraw/zinc/90/41/53/505904153.db2.gz IGHUBKBUNWAAES-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000569316303 505905519 /nfs/dbraw/zinc/90/55/19/505905519.db2.gz HRWUHYKDDOOVRG-UXLLHSPISA-N 1 2 373.522 3.376 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000569316303 505905524 /nfs/dbraw/zinc/90/55/24/505905524.db2.gz HRWUHYKDDOOVRG-UXLLHSPISA-N 1 2 373.522 3.376 20 30 FGEDLO Cc1[nH+]cc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1-c1ccccc1 ZINC000245508564 497434240 /nfs/dbraw/zinc/43/42/40/497434240.db2.gz SERNTQVRWOOQFE-QFIPXVFZSA-N 1 2 371.488 3.391 20 30 FGEDLO N#Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000190908121 497640832 /nfs/dbraw/zinc/64/08/32/497640832.db2.gz WYYCTPFMNUQYME-UHFFFAOYSA-N 1 2 369.421 3.057 20 30 FGEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000272596427 497674821 /nfs/dbraw/zinc/67/48/21/497674821.db2.gz QFAHGDOXSWQZEH-OAHLLOKOSA-N 1 2 351.372 3.436 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272616418 497679206 /nfs/dbraw/zinc/67/92/06/497679206.db2.gz UAJAKUKRHODDSB-UHFFFAOYSA-N 1 2 350.260 3.322 20 30 FGEDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Br ZINC000191123831 497716573 /nfs/dbraw/zinc/71/65/73/497716573.db2.gz FHOYTXNODLFXJF-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Br ZINC000191123831 497716578 /nfs/dbraw/zinc/71/65/78/497716578.db2.gz FHOYTXNODLFXJF-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268478112 497761113 /nfs/dbraw/zinc/76/11/13/497761113.db2.gz KWRATXPOTWRKRT-GFCCVEGCSA-N 1 2 373.363 3.023 20 30 FGEDLO Cc1nc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)sc1C ZINC000329608251 497843228 /nfs/dbraw/zinc/84/32/28/497843228.db2.gz IPUHNVIYGQMPFU-KGLIPLIRSA-N 1 2 359.499 3.134 20 30 FGEDLO Cc1nc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)sc1C ZINC000329608251 497843233 /nfs/dbraw/zinc/84/32/33/497843233.db2.gz IPUHNVIYGQMPFU-KGLIPLIRSA-N 1 2 359.499 3.134 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000292037077 497851152 /nfs/dbraw/zinc/85/11/52/497851152.db2.gz AAIFCJYPCPQLIV-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(-c4cccs4)on3)C2)nc1 ZINC000292037077 497851156 /nfs/dbraw/zinc/85/11/56/497851156.db2.gz AAIFCJYPCPQLIV-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329794922 497902959 /nfs/dbraw/zinc/90/29/59/497902959.db2.gz GIOPBPKPXILMGP-ZYSHUDEJSA-N 1 2 366.465 3.135 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCc3c1cccc3O)C2 ZINC000329800356 497905536 /nfs/dbraw/zinc/90/55/36/497905536.db2.gz ILFJFFIDENQOGM-HNNXBMFYSA-N 1 2 354.454 3.209 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280824088 497912007 /nfs/dbraw/zinc/91/20/07/497912007.db2.gz NTPJMQRCEZMWKK-IFXJQAMLSA-N 1 2 360.454 3.270 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC[C@@]1(C)CCCS1)C2 ZINC000329816158 497912367 /nfs/dbraw/zinc/91/23/67/497912367.db2.gz DUMOACUXLRRTOV-FZKQIMNGSA-N 1 2 350.532 3.285 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C[C@@]1(C)CCCS1)C2 ZINC000329816158 497912373 /nfs/dbraw/zinc/91/23/73/497912373.db2.gz DUMOACUXLRRTOV-FZKQIMNGSA-N 1 2 350.532 3.285 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000329851672 497927152 /nfs/dbraw/zinc/92/71/52/497927152.db2.gz QYPPVTCVBSRYLG-PZJWPPBQSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000329851672 497927159 /nfs/dbraw/zinc/92/71/59/497927159.db2.gz QYPPVTCVBSRYLG-PZJWPPBQSA-N 1 2 369.509 3.440 20 30 FGEDLO CC(=O)N[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000329897969 497944499 /nfs/dbraw/zinc/94/44/99/497944499.db2.gz LSPJYRKSSUIXJO-IBGZPJMESA-N 1 2 372.513 3.461 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2C3CC4CC(C3)CC2C4)cn1 ZINC000329905324 497947440 /nfs/dbraw/zinc/94/74/40/497947440.db2.gz AQMAXJCJUCAGMZ-BJMDDJFJSA-N 1 2 374.504 3.361 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2C3CC4CC(C3)CC2C4)cn1 ZINC000329905324 497947449 /nfs/dbraw/zinc/94/74/49/497947449.db2.gz AQMAXJCJUCAGMZ-BJMDDJFJSA-N 1 2 374.504 3.361 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329918305 497952453 /nfs/dbraw/zinc/95/24/53/497952453.db2.gz RCLXXOAFYPHIHV-SJLPKXTDSA-N 1 2 355.486 3.382 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)c[nH+]2)CC1 ZINC000329924094 497955056 /nfs/dbraw/zinc/95/50/56/497955056.db2.gz UVPBUHQJIQIKPM-QFBILLFUSA-N 1 2 372.513 3.231 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000329928766 497956484 /nfs/dbraw/zinc/95/64/84/497956484.db2.gz MVDDASFXAKLKHH-MGPUTAFESA-N 1 2 354.454 3.145 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000329928766 497956490 /nfs/dbraw/zinc/95/64/90/497956490.db2.gz MVDDASFXAKLKHH-MGPUTAFESA-N 1 2 354.454 3.145 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329930811 497956526 /nfs/dbraw/zinc/95/65/26/497956526.db2.gz ZWUCLNZXAJLYEM-WMZOPIPTSA-N 1 2 355.486 3.382 20 30 FGEDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000329953497 497967426 /nfs/dbraw/zinc/96/74/26/497967426.db2.gz JJTYOWZNJVNGML-HRCADAONSA-N 1 2 365.547 3.067 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(C)C ZINC000329960563 497970782 /nfs/dbraw/zinc/97/07/82/497970782.db2.gz NZHLGSOIUXSOHT-NZSAHSFTSA-N 1 2 371.481 3.367 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(C)C ZINC000329960563 497970786 /nfs/dbraw/zinc/97/07/86/497970786.db2.gz NZHLGSOIUXSOHT-NZSAHSFTSA-N 1 2 371.481 3.367 20 30 FGEDLO CCN1CCN(C(=O)NC[C@H](C)c2cccc(C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329967210 497974065 /nfs/dbraw/zinc/97/40/65/497974065.db2.gz SKJXFAQIWXHLIZ-FUHWJXTLSA-N 1 2 355.486 3.114 20 30 FGEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000329988034 497981541 /nfs/dbraw/zinc/98/15/41/497981541.db2.gz TWSFZZIXFIGHSS-CVYDXHPNSA-N 1 2 366.481 3.320 20 30 FGEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000329988034 497981545 /nfs/dbraw/zinc/98/15/45/497981545.db2.gz TWSFZZIXFIGHSS-CVYDXHPNSA-N 1 2 366.481 3.320 20 30 FGEDLO CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329993827 497983486 /nfs/dbraw/zinc/98/34/86/497983486.db2.gz YSIFDVRGJWMGKO-MUQADHOPSA-N 1 2 366.481 3.286 20 30 FGEDLO CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329993827 497983488 /nfs/dbraw/zinc/98/34/88/497983488.db2.gz YSIFDVRGJWMGKO-MUQADHOPSA-N 1 2 366.481 3.286 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccc(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329995053 497983509 /nfs/dbraw/zinc/98/35/09/497983509.db2.gz MUAWORAWPOGDER-QGZVFWFLSA-N 1 2 373.476 3.119 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)ccc2n1 ZINC000330024404 497995729 /nfs/dbraw/zinc/99/57/29/497995729.db2.gz JTWFLIRSWHAWSI-UHFFFAOYSA-N 1 2 359.474 3.054 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)NCC[N@H+]3CCOC(C)(C)C3)ccc2n1 ZINC000330024404 497995732 /nfs/dbraw/zinc/99/57/32/497995732.db2.gz JTWFLIRSWHAWSI-UHFFFAOYSA-N 1 2 359.474 3.054 20 30 FGEDLO C#CCC1(C(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)CCCCC1 ZINC000364521407 498000123 /nfs/dbraw/zinc/00/01/23/498000123.db2.gz YDMNBMPNSSLIGH-GOSISDBHSA-N 1 2 372.513 3.165 20 30 FGEDLO C#CCC1(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)CCCCC1 ZINC000364521407 498000129 /nfs/dbraw/zinc/00/01/29/498000129.db2.gz YDMNBMPNSSLIGH-GOSISDBHSA-N 1 2 372.513 3.165 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(C#N)ccc2F)CC1 ZINC000292426223 498011111 /nfs/dbraw/zinc/01/11/11/498011111.db2.gz NDMHBQSPRYTZBS-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(C#N)ccc2F)CC1 ZINC000292426223 498011118 /nfs/dbraw/zinc/01/11/18/498011118.db2.gz NDMHBQSPRYTZBS-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000581346839 505966574 /nfs/dbraw/zinc/96/65/74/505966574.db2.gz NAXMTEOFPIGUGS-LJQANCHMSA-N 1 2 364.449 3.168 20 30 FGEDLO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000581346839 505966578 /nfs/dbraw/zinc/96/65/78/505966578.db2.gz NAXMTEOFPIGUGS-LJQANCHMSA-N 1 2 364.449 3.168 20 30 FGEDLO Cc1ccc(Cc2noc([C@H]3CCC(=O)N3Cc3cccc(C#N)c3)n2)c[nH+]1 ZINC000350002378 498032229 /nfs/dbraw/zinc/03/22/29/498032229.db2.gz GWEJHVIEPLSZMM-GOSISDBHSA-N 1 2 373.416 3.099 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C4CC4)C3)n2)C1 ZINC000330133015 498034179 /nfs/dbraw/zinc/03/41/79/498034179.db2.gz LTNOTZCJQGSHKZ-CJNGLKHVSA-N 1 2 364.515 3.031 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C4CC4)C3)n2)C1 ZINC000330133015 498034182 /nfs/dbraw/zinc/03/41/82/498034182.db2.gz LTNOTZCJQGSHKZ-CJNGLKHVSA-N 1 2 364.515 3.031 20 30 FGEDLO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000330150811 498040323 /nfs/dbraw/zinc/04/03/23/498040323.db2.gz VWFHGCZCSLOPBB-MRXNPFEDSA-N 1 2 352.438 3.449 20 30 FGEDLO CC(C)[C@H](CNc1c(C#N)cnc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000301334444 498061988 /nfs/dbraw/zinc/06/19/88/498061988.db2.gz CLTVGBALVPAMBS-IBGZPJMESA-N 1 2 371.916 3.444 20 30 FGEDLO Cn1ccnc1-c1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000330234694 498072784 /nfs/dbraw/zinc/07/27/84/498072784.db2.gz GOCKDSQKWGELKE-UHFFFAOYSA-N 1 2 350.426 3.235 20 30 FGEDLO CN(C[C@H]1CCOC1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330257209 498082367 /nfs/dbraw/zinc/08/23/67/498082367.db2.gz QOADILUHKJPOMV-OAHLLOKOSA-N 1 2 354.454 3.400 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301275 498094894 /nfs/dbraw/zinc/09/48/94/498094894.db2.gz JVVVYMOVZOISEO-WFASDCNBSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301275 498094904 /nfs/dbraw/zinc/09/49/04/498094904.db2.gz JVVVYMOVZOISEO-WFASDCNBSA-N 1 2 360.845 3.170 20 30 FGEDLO CCN1CCN(C(=O)NCC2(c3ccccc3)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330320541 498104549 /nfs/dbraw/zinc/10/45/49/498104549.db2.gz FGFMXQODLMMGEJ-SFHVURJKSA-N 1 2 367.497 3.124 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330337574 498110871 /nfs/dbraw/zinc/11/08/71/498110871.db2.gz UDTXBIYRKXGHOU-KRWDZBQOSA-N 1 2 370.457 3.250 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330340415 498112006 /nfs/dbraw/zinc/11/20/06/498112006.db2.gz XXMLMPLCMGNYCE-QGZVFWFLSA-N 1 2 366.469 3.122 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296611748 498120999 /nfs/dbraw/zinc/12/09/99/498120999.db2.gz FJPUBEZIAUOJAR-CJNGLKHVSA-N 1 2 353.426 3.326 20 30 FGEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(C#N)nc4)CC3)n2)cc1 ZINC000301496775 498135683 /nfs/dbraw/zinc/13/56/83/498135683.db2.gz CJAMRSXGMNHRHT-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1ccc(SCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351029654 498166618 /nfs/dbraw/zinc/16/66/18/498166618.db2.gz WUISVLJYKKNRDV-GOEBONIOSA-N 1 2 356.451 3.159 20 30 FGEDLO N#Cc1ccc(SCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351029654 498166623 /nfs/dbraw/zinc/16/66/23/498166623.db2.gz WUISVLJYKKNRDV-GOEBONIOSA-N 1 2 356.451 3.159 20 30 FGEDLO N#Cc1cnc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000572537003 505992609 /nfs/dbraw/zinc/99/26/09/505992609.db2.gz OYCYLWKAEUCGRQ-HDJSIYSDSA-N 1 2 355.829 3.155 20 30 FGEDLO Cc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@@H]1C ZINC000330769360 498189763 /nfs/dbraw/zinc/18/97/63/498189763.db2.gz AHGXXUNXQROLJQ-GXTWGEPZSA-N 1 2 374.407 3.169 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330775310 498191957 /nfs/dbraw/zinc/19/19/57/498191957.db2.gz HLEGFCBBYUSLGX-UHFFFAOYSA-N 1 2 363.483 3.106 20 30 FGEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000330937607 498222143 /nfs/dbraw/zinc/22/21/43/498222143.db2.gz AQKPCNRBNCRYGJ-OAHLLOKOSA-N 1 2 360.502 3.080 20 30 FGEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000330937607 498222145 /nfs/dbraw/zinc/22/21/45/498222145.db2.gz AQKPCNRBNCRYGJ-OAHLLOKOSA-N 1 2 360.502 3.080 20 30 FGEDLO CC(C)c1scnc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289741083 498271615 /nfs/dbraw/zinc/27/16/15/498271615.db2.gz PNJVQEMBCPIPMU-UHFFFAOYSA-N 1 2 369.494 3.488 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000360403161 498271633 /nfs/dbraw/zinc/27/16/33/498271633.db2.gz WYEDTYLUCUJMDV-RBUKOAKNSA-N 1 2 357.417 3.179 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281812681 498279371 /nfs/dbraw/zinc/27/93/71/498279371.db2.gz WFHAYJZFGWUDFD-GOSISDBHSA-N 1 2 373.250 3.081 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000281827488 498284530 /nfs/dbraw/zinc/28/45/30/498284530.db2.gz PNCQEEJBBHKYGP-RYRKJORJSA-N 1 2 363.527 3.118 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000281827378 498284775 /nfs/dbraw/zinc/28/47/75/498284775.db2.gz PPJBLCBMXRCZIX-QUCCMNQESA-N 1 2 372.513 3.098 20 30 FGEDLO C[C@@H](c1nnc(Sc2cccc(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301875951 498307359 /nfs/dbraw/zinc/30/73/59/498307359.db2.gz YFUIICCHUAYFBK-LBPRGKRZSA-N 1 2 368.441 3.447 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3nc(N)c4ccccc4[nH+]3)CC2)nc1 ZINC000301938714 498336236 /nfs/dbraw/zinc/33/62/36/498336236.db2.gz UUCUXHVEYYLHEF-UHFFFAOYSA-N 1 2 360.421 3.281 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000361335946 498376085 /nfs/dbraw/zinc/37/60/85/498376085.db2.gz QNYDTLSPKSDGMQ-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000361335946 498376091 /nfs/dbraw/zinc/37/60/91/498376091.db2.gz QNYDTLSPKSDGMQ-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000361574752 498409156 /nfs/dbraw/zinc/40/91/56/498409156.db2.gz BJDYUMQLGVRMOO-AWEZNQCLSA-N 1 2 372.375 3.410 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439235 498485034 /nfs/dbraw/zinc/48/50/34/498485034.db2.gz MSLPWGNEFKHEMY-RHSMWYFYSA-N 1 2 352.463 3.365 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439235 498485039 /nfs/dbraw/zinc/48/50/39/498485039.db2.gz MSLPWGNEFKHEMY-RHSMWYFYSA-N 1 2 352.463 3.365 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@@]3(C#N)CC34CCCC4)ccc2n1[C@H](C)CO ZINC000581710434 506050625 /nfs/dbraw/zinc/05/06/25/506050625.db2.gz KJTFJCCNWADPDB-XCLFUZPHSA-N 1 2 352.438 3.311 20 30 FGEDLO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063115 498548300 /nfs/dbraw/zinc/54/83/00/498548300.db2.gz ZEYPQFDCXPZMME-RHSMWYFYSA-N 1 2 360.889 3.099 20 30 FGEDLO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063115 498548305 /nfs/dbraw/zinc/54/83/05/498548305.db2.gz ZEYPQFDCXPZMME-RHSMWYFYSA-N 1 2 360.889 3.099 20 30 FGEDLO COc1cc(OC)cc([C@H](Nc2ccc(C)c(C#N)n2)c2[nH+]ccn2C)c1 ZINC000302727809 498548295 /nfs/dbraw/zinc/54/82/95/498548295.db2.gz SYCTXPQMDGUDSI-IBGZPJMESA-N 1 2 363.421 3.214 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000581722561 506054107 /nfs/dbraw/zinc/05/41/07/506054107.db2.gz FKFHLKNJBGGJQI-YJBOKZPZSA-N 1 2 351.454 3.343 20 30 FGEDLO C=CCC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000287055717 498608625 /nfs/dbraw/zinc/60/86/25/498608625.db2.gz NBUVFVBOCGLQLX-IHPCNDPISA-N 1 2 357.498 3.199 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000302874337 498611009 /nfs/dbraw/zinc/61/10/09/498611009.db2.gz DCFYUCORCOHCDS-QGZVFWFLSA-N 1 2 352.390 3.186 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989956 506063613 /nfs/dbraw/zinc/06/36/13/506063613.db2.gz KUOQSRIUMWLNFY-RDJZCZTQSA-N 1 2 356.363 3.363 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989956 506063617 /nfs/dbraw/zinc/06/36/17/506063617.db2.gz KUOQSRIUMWLNFY-RDJZCZTQSA-N 1 2 356.363 3.363 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1OC ZINC000570009397 506067306 /nfs/dbraw/zinc/06/73/06/506067306.db2.gz HHMDOXIOWPUDNZ-MAUKXSAKSA-N 1 2 371.437 3.236 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1OC ZINC000570009397 506067307 /nfs/dbraw/zinc/06/73/07/506067307.db2.gz HHMDOXIOWPUDNZ-MAUKXSAKSA-N 1 2 371.437 3.236 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000332359304 498662697 /nfs/dbraw/zinc/66/26/97/498662697.db2.gz CLJJMUXLOGMLBQ-KUHUBIRLSA-N 1 2 366.469 3.244 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C#N ZINC000332441372 498688351 /nfs/dbraw/zinc/68/83/51/498688351.db2.gz JBHRWGMGTQWURR-AWEZNQCLSA-N 1 2 371.466 3.423 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287316107 498713261 /nfs/dbraw/zinc/71/32/61/498713261.db2.gz JRWZUZMMIZZLGK-ZWKOTPCHSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287316107 498713268 /nfs/dbraw/zinc/71/32/68/498713268.db2.gz JRWZUZMMIZZLGK-ZWKOTPCHSA-N 1 2 368.437 3.399 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000298274309 498718263 /nfs/dbraw/zinc/71/82/63/498718263.db2.gz BPGNHBFTWZFLEP-RDJZCZTQSA-N 1 2 355.486 3.191 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2 ZINC000570069317 506083137 /nfs/dbraw/zinc/08/31/37/506083137.db2.gz VYVNKIAICWRNQO-KURKYZTESA-N 1 2 362.477 3.404 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CC2 ZINC000570069317 506083141 /nfs/dbraw/zinc/08/31/41/506083141.db2.gz VYVNKIAICWRNQO-KURKYZTESA-N 1 2 362.477 3.404 20 30 FGEDLO Cc1csc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000363474381 498838681 /nfs/dbraw/zinc/83/86/81/498838681.db2.gz IJQKCBGPTVIPIT-UHFFFAOYSA-N 1 2 358.442 3.313 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000570142662 506100313 /nfs/dbraw/zinc/10/03/13/506100313.db2.gz IYIDPMQUQNHDLK-AWEZNQCLSA-N 1 2 374.444 3.406 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)n1C ZINC000328654961 498891646 /nfs/dbraw/zinc/89/16/46/498891646.db2.gz XWPVTBJJUSFONX-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)n1C ZINC000328654961 498891654 /nfs/dbraw/zinc/89/16/54/498891654.db2.gz XWPVTBJJUSFONX-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)cc2n1C ZINC000366409982 498914301 /nfs/dbraw/zinc/91/43/01/498914301.db2.gz XOHDNOYFBPBBSO-UHFFFAOYSA-N 1 2 370.416 3.074 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N(C)C3CCOCC3)ccc2n1C1CC1 ZINC000328734532 498920792 /nfs/dbraw/zinc/92/07/92/498920792.db2.gz ILZBUYXGXGOYNQ-UHFFFAOYSA-N 1 2 356.470 3.458 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC(=O)N1 ZINC000328788011 498939240 /nfs/dbraw/zinc/93/92/40/498939240.db2.gz JUMQNAKMIVMETC-MLGOLLRUSA-N 1 2 351.397 3.395 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC(=O)N1 ZINC000328788011 498939245 /nfs/dbraw/zinc/93/92/45/498939245.db2.gz JUMQNAKMIVMETC-MLGOLLRUSA-N 1 2 351.397 3.395 20 30 FGEDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328845518 498959135 /nfs/dbraw/zinc/95/91/35/498959135.db2.gz VICYDPYHDLEUSH-XIRDDKMYSA-N 1 2 360.502 3.310 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H](C3CCOCC3)C2)c1 ZINC000328873209 498969767 /nfs/dbraw/zinc/96/97/67/498969767.db2.gz YUKABTDUNGNRNY-KRWDZBQOSA-N 1 2 354.454 3.381 20 30 FGEDLO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)NC[C@H]1COCCO1 ZINC000328893919 498976328 /nfs/dbraw/zinc/97/63/28/498976328.db2.gz URIVXDSZCDKWEJ-INIZCTEOSA-N 1 2 357.454 3.456 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328931332 498989968 /nfs/dbraw/zinc/98/99/68/498989968.db2.gz BCHOAFOAWGHBPU-UAGQMJEPSA-N 1 2 374.485 3.061 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328931332 498989976 /nfs/dbraw/zinc/98/99/76/498989976.db2.gz BCHOAFOAWGHBPU-UAGQMJEPSA-N 1 2 374.485 3.061 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C1CCOCC1 ZINC000328991605 499008987 /nfs/dbraw/zinc/00/89/87/499008987.db2.gz FPUVZIUMVDOBED-SCLBCKFNSA-N 1 2 373.501 3.481 20 30 FGEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329007781 499013803 /nfs/dbraw/zinc/01/38/03/499013803.db2.gz NMARFRBJCRKTEL-IPMKNSEASA-N 1 2 371.529 3.162 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329011713 499014238 /nfs/dbraw/zinc/01/42/38/499014238.db2.gz ORYQZEFQGQALSC-PZJWPPBQSA-N 1 2 366.465 3.189 20 30 FGEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314643 499021819 /nfs/dbraw/zinc/02/18/19/499021819.db2.gz DUHTXXXSJQBKQL-AEFFLSMTSA-N 1 2 372.428 3.001 20 30 FGEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314643 499021824 /nfs/dbraw/zinc/02/18/24/499021824.db2.gz DUHTXXXSJQBKQL-AEFFLSMTSA-N 1 2 372.428 3.001 20 30 FGEDLO Cc1scc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1C ZINC000329042271 499024349 /nfs/dbraw/zinc/02/43/49/499024349.db2.gz TVZJZENPOGVTOM-CRAIPNDOSA-N 1 2 372.494 3.298 20 30 FGEDLO CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329087432 499037915 /nfs/dbraw/zinc/03/79/15/499037915.db2.gz HHWYRTKZFXKEHI-ZOBUZTSGSA-N 1 2 367.490 3.018 20 30 FGEDLO CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329087432 499037923 /nfs/dbraw/zinc/03/79/23/499037923.db2.gz HHWYRTKZFXKEHI-ZOBUZTSGSA-N 1 2 367.490 3.018 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233009 499079880 /nfs/dbraw/zinc/07/98/80/499079880.db2.gz GMZLDLNGOJRFGI-MRXNPFEDSA-N 1 2 362.861 3.088 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329233009 499079886 /nfs/dbraw/zinc/07/98/86/499079886.db2.gz GMZLDLNGOJRFGI-MRXNPFEDSA-N 1 2 362.861 3.088 20 30 FGEDLO COc1cnc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000329239935 499081739 /nfs/dbraw/zinc/08/17/39/499081739.db2.gz MHOCPDKCNDNJIM-UHFFFAOYSA-N 1 2 361.471 3.110 20 30 FGEDLO CCc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000291891003 499094926 /nfs/dbraw/zinc/09/49/26/499094926.db2.gz PBFRWQMKGYCKTB-GOSISDBHSA-N 1 2 372.432 3.025 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOCC4(CC4)C3)n2)C1 ZINC000329309889 499095909 /nfs/dbraw/zinc/09/59/09/499095909.db2.gz QRJSFOOOZHANJN-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOCC4(CC4)C3)n2)C1 ZINC000329309889 499095911 /nfs/dbraw/zinc/09/59/11/499095911.db2.gz QRJSFOOOZHANJN-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)no1 ZINC000329324962 499099694 /nfs/dbraw/zinc/09/96/94/499099694.db2.gz SQZBTNHETURWRM-HNNXBMFYSA-N 1 2 352.398 3.161 20 30 FGEDLO Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)no1 ZINC000329324966 499100077 /nfs/dbraw/zinc/10/00/77/499100077.db2.gz SQZBTNHETURWRM-OAHLLOKOSA-N 1 2 352.398 3.161 20 30 FGEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H]2CCCC[C@@H]21 ZINC000329336369 499102755 /nfs/dbraw/zinc/10/27/55/499102755.db2.gz LSQOHACEFIRAIL-DDBAPUKQSA-N 1 2 360.502 3.312 20 30 FGEDLO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCO1 ZINC000329413374 499117903 /nfs/dbraw/zinc/11/79/03/499117903.db2.gz CGLRTXCQZOAADB-JKSUJKDBSA-N 1 2 362.518 3.409 20 30 FGEDLO CN1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)c2ccc[nH+]c21 ZINC000329437695 499121533 /nfs/dbraw/zinc/12/15/33/499121533.db2.gz KBBHRRBIJJPWGH-UHFFFAOYSA-N 1 2 366.469 3.011 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329439742 499121564 /nfs/dbraw/zinc/12/15/64/499121564.db2.gz JUPLFMOBGUBRDB-XEZPLFJOSA-N 1 2 355.360 3.315 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329439742 499121566 /nfs/dbraw/zinc/12/15/66/499121566.db2.gz JUPLFMOBGUBRDB-XEZPLFJOSA-N 1 2 355.360 3.315 20 30 FGEDLO O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329476356 499127012 /nfs/dbraw/zinc/12/70/12/499127012.db2.gz BLPJGBNMEGZRNV-SFHVURJKSA-N 1 2 354.454 3.177 20 30 FGEDLO O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329476356 499127014 /nfs/dbraw/zinc/12/70/14/499127014.db2.gz BLPJGBNMEGZRNV-SFHVURJKSA-N 1 2 354.454 3.177 20 30 FGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000329495388 499128082 /nfs/dbraw/zinc/12/80/82/499128082.db2.gz URTQTVBXJJJCMB-RTBURBONSA-N 1 2 360.498 3.417 20 30 FGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329508044 499128580 /nfs/dbraw/zinc/12/85/80/499128580.db2.gz WYKOYNTUNYSRCM-LJQANCHMSA-N 1 2 372.513 3.377 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467945 499202731 /nfs/dbraw/zinc/20/27/31/499202731.db2.gz ZFCJCOPYIKVUBO-RBUKOAKNSA-N 1 2 368.506 3.251 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467945 499202733 /nfs/dbraw/zinc/20/27/33/499202733.db2.gz ZFCJCOPYIKVUBO-RBUKOAKNSA-N 1 2 368.506 3.251 20 30 FGEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(-c2ccccc2)no1 ZINC000367572169 499214068 /nfs/dbraw/zinc/21/40/68/499214068.db2.gz ZXESLJFKEVBLFR-PXNSSMCTSA-N 1 2 369.469 3.078 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cn1 ZINC000370617276 499235811 /nfs/dbraw/zinc/23/58/11/499235811.db2.gz FJXUESZEOVIKIG-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCC[C@H]2O1 ZINC000368520970 499304349 /nfs/dbraw/zinc/30/43/49/499304349.db2.gz AIAMJLPSAQRJRN-HZPDHXFCSA-N 1 2 359.495 3.273 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]2CCC[C@H]2O1 ZINC000368520970 499304350 /nfs/dbraw/zinc/30/43/50/499304350.db2.gz AIAMJLPSAQRJRN-HZPDHXFCSA-N 1 2 359.495 3.273 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000371358952 499314983 /nfs/dbraw/zinc/31/49/83/499314983.db2.gz FOCQXOOVJFFFDC-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000371358952 499314985 /nfs/dbraw/zinc/31/49/85/499314985.db2.gz FOCQXOOVJFFFDC-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#C[C@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000368660590 499319018 /nfs/dbraw/zinc/31/90/18/499319018.db2.gz SHNMXEBHCHHTFG-QFIPXVFZSA-N 1 2 356.429 3.112 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371735220 499359870 /nfs/dbraw/zinc/35/98/70/499359870.db2.gz RFZPQQFHFQPKGM-PJQXDXOGSA-N 1 2 368.403 3.040 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371735220 499359872 /nfs/dbraw/zinc/35/98/72/499359872.db2.gz RFZPQQFHFQPKGM-PJQXDXOGSA-N 1 2 368.403 3.040 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000369216335 499378572 /nfs/dbraw/zinc/37/85/72/499378572.db2.gz VBIVXKGVLWTTRQ-MRXNPFEDSA-N 1 2 366.440 3.414 20 30 FGEDLO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000371922906 499379896 /nfs/dbraw/zinc/37/98/96/499379896.db2.gz JYYRRTVSKDHLBF-RUZDIDTESA-N 1 2 354.435 3.440 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1OCCCC#N ZINC000372124182 499401014 /nfs/dbraw/zinc/40/10/14/499401014.db2.gz JYGFTIMYRZIGMB-SFHVURJKSA-N 1 2 362.470 3.004 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1OCCCC#N ZINC000372124182 499401016 /nfs/dbraw/zinc/40/10/16/499401016.db2.gz JYGFTIMYRZIGMB-SFHVURJKSA-N 1 2 362.470 3.004 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369541912 499414959 /nfs/dbraw/zinc/41/49/59/499414959.db2.gz QRUXZPCCFWSYMG-USXIJHARSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369541912 499414960 /nfs/dbraw/zinc/41/49/60/499414960.db2.gz QRUXZPCCFWSYMG-USXIJHARSA-N 1 2 359.495 3.130 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3cccnc3)CC2)c(C#N)c1C ZINC000378396201 499512059 /nfs/dbraw/zinc/51/20/59/499512059.db2.gz AHMGRWCSLFWKAQ-OAHLLOKOSA-N 1 2 366.465 3.445 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407880 499515092 /nfs/dbraw/zinc/51/50/92/499515092.db2.gz ZANRMBWWDMGOPZ-IAOVAPTHSA-N 1 2 352.837 3.367 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407880 499515094 /nfs/dbraw/zinc/51/50/94/499515094.db2.gz ZANRMBWWDMGOPZ-IAOVAPTHSA-N 1 2 352.837 3.367 20 30 FGEDLO C[N@@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377136792 499665261 /nfs/dbraw/zinc/66/52/61/499665261.db2.gz SWHVJEHRTBSTOL-HNNXBMFYSA-N 1 2 357.801 3.008 20 30 FGEDLO C[N@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377136792 499665262 /nfs/dbraw/zinc/66/52/62/499665262.db2.gz SWHVJEHRTBSTOL-HNNXBMFYSA-N 1 2 357.801 3.008 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411133186 499701409 /nfs/dbraw/zinc/70/14/09/499701409.db2.gz HFFVQNSCHPZPFK-KRWDZBQOSA-N 1 2 357.435 3.450 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411133186 499701410 /nfs/dbraw/zinc/70/14/10/499701410.db2.gz HFFVQNSCHPZPFK-KRWDZBQOSA-N 1 2 357.435 3.450 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)nc1 ZINC000411184272 499707947 /nfs/dbraw/zinc/70/79/47/499707947.db2.gz FDLBXKCBFRPLGA-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413253298 499932887 /nfs/dbraw/zinc/93/28/87/499932887.db2.gz ZDQBSAQOSQHBRI-UHFFFAOYSA-N 1 2 350.426 3.120 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413253298 499932889 /nfs/dbraw/zinc/93/28/89/499932889.db2.gz ZDQBSAQOSQHBRI-UHFFFAOYSA-N 1 2 350.426 3.120 20 30 FGEDLO Cc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)cc1N(C)C ZINC000417142253 499985705 /nfs/dbraw/zinc/98/57/05/499985705.db2.gz SJASDLGPXHWMLC-UHFFFAOYSA-N 1 2 366.469 3.129 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413580113 499996359 /nfs/dbraw/zinc/99/63/59/499996359.db2.gz PHLXMHNUJSPPNQ-QXAKKESOSA-N 1 2 352.482 3.283 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413580113 499996363 /nfs/dbraw/zinc/99/63/63/499996363.db2.gz PHLXMHNUJSPPNQ-QXAKKESOSA-N 1 2 352.482 3.283 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425472672 500115717 /nfs/dbraw/zinc/11/57/17/500115717.db2.gz JVXLDSPGWYJVCZ-LPOXYFBYSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425472672 500115719 /nfs/dbraw/zinc/11/57/19/500115719.db2.gz JVXLDSPGWYJVCZ-LPOXYFBYSA-N 1 2 364.852 3.216 20 30 FGEDLO C[C@H](C#N)N(CC[N@@H+]1CCOC[C@@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539247 500138018 /nfs/dbraw/zinc/13/80/18/500138018.db2.gz TVNFSLFKPLPOMT-CABCVRRESA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@H](C#N)N(CC[N@H+]1CCOC[C@@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539247 500138021 /nfs/dbraw/zinc/13/80/21/500138021.db2.gz TVNFSLFKPLPOMT-CABCVRRESA-N 1 2 355.404 3.140 20 30 FGEDLO CSc1cccc([C@@H]([NH2+]CC(=O)NCC#N)c2cc(F)ccc2F)c1 ZINC000425963674 500217681 /nfs/dbraw/zinc/21/76/81/500217681.db2.gz NFHQXHYDCPQKKU-GOSISDBHSA-N 1 2 361.417 3.005 20 30 FGEDLO Cn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC000573396228 506186654 /nfs/dbraw/zinc/18/66/54/506186654.db2.gz BJSOYYNHDPTHOR-HNNXBMFYSA-N 1 2 367.840 3.147 20 30 FGEDLO Cn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC000573396228 506186659 /nfs/dbraw/zinc/18/66/59/506186659.db2.gz BJSOYYNHDPTHOR-HNNXBMFYSA-N 1 2 367.840 3.147 20 30 FGEDLO COC1(C(F)(F)F)CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000419352386 500356922 /nfs/dbraw/zinc/35/69/22/500356922.db2.gz PMLCYHCYGNPZLU-NSHDSACASA-N 1 2 373.375 3.138 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000424206571 500468829 /nfs/dbraw/zinc/46/88/29/500468829.db2.gz WWHOHKBXJXAVJP-LBPRGKRZSA-N 1 2 362.451 3.354 20 30 FGEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000432260751 500489823 /nfs/dbraw/zinc/48/98/23/500489823.db2.gz WAVXDVPPJFLXIN-KRWDZBQOSA-N 1 2 372.494 3.235 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000420782039 500499818 /nfs/dbraw/zinc/49/98/18/500499818.db2.gz QEGNRGSVHPXCIM-UHFFFAOYSA-N 1 2 369.494 3.395 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](CC)O1 ZINC000420963302 500542381 /nfs/dbraw/zinc/54/23/81/500542381.db2.gz VHFHONCZFKMOJT-LZQZEXGQSA-N 1 2 361.461 3.350 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](CC)O1 ZINC000420963302 500542383 /nfs/dbraw/zinc/54/23/83/500542383.db2.gz VHFHONCZFKMOJT-LZQZEXGQSA-N 1 2 361.461 3.350 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)nc1 ZINC000432749654 500557364 /nfs/dbraw/zinc/55/73/64/500557364.db2.gz VLFNOUHFUPNLTG-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000437646537 500675468 /nfs/dbraw/zinc/67/54/68/500675468.db2.gz OYZUNTUDWZVJJC-APWZRJJASA-N 1 2 356.470 3.015 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000433874700 500758863 /nfs/dbraw/zinc/75/88/63/500758863.db2.gz YAAZAADLQYSSEY-IBGZPJMESA-N 1 2 365.502 3.384 20 30 FGEDLO C=CC[N@H+](Cc1cnn2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438267967 500760918 /nfs/dbraw/zinc/76/09/18/500760918.db2.gz CLIPRZIRVPXOQS-OAQYLSRUSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CC[N@@H+](Cc1cnn2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438267967 500760923 /nfs/dbraw/zinc/76/09/23/500760923.db2.gz CLIPRZIRVPXOQS-OAQYLSRUSA-N 1 2 363.461 3.497 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439023390 500848071 /nfs/dbraw/zinc/84/80/71/500848071.db2.gz QFPHDZNCHSGWGT-RTBURBONSA-N 1 2 365.502 3.376 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580089 506221917 /nfs/dbraw/zinc/22/19/17/506221917.db2.gz QKYZYPFIFXPNID-XJKSGUPXSA-N 1 2 369.387 3.164 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580089 506221922 /nfs/dbraw/zinc/22/19/22/506221922.db2.gz QKYZYPFIFXPNID-XJKSGUPXSA-N 1 2 369.387 3.164 20 30 FGEDLO N#CCSCCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434791874 500895393 /nfs/dbraw/zinc/89/53/93/500895393.db2.gz BWYFOBGKOIPZBH-UHFFFAOYSA-N 1 2 359.520 3.306 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000439435398 500896431 /nfs/dbraw/zinc/89/64/31/500896431.db2.gz GRITXIUHENVPPI-UHFFFAOYSA-N 1 2 365.868 3.406 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444771925 500896822 /nfs/dbraw/zinc/89/68/22/500896822.db2.gz SGLQFSUWDCMUFS-UHFFFAOYSA-N 1 2 366.852 3.414 20 30 FGEDLO N#Cc1ccccc1SCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000439708463 500930016 /nfs/dbraw/zinc/93/00/16/500930016.db2.gz OUJHRGFEIHHPBS-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000439779774 500937893 /nfs/dbraw/zinc/93/78/93/500937893.db2.gz FBYLHCCCCUAWMI-YFVAEKQCSA-N 1 2 373.541 3.430 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000439779774 500937897 /nfs/dbraw/zinc/93/78/97/500937897.db2.gz FBYLHCCCCUAWMI-YFVAEKQCSA-N 1 2 373.541 3.430 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000439779771 500937948 /nfs/dbraw/zinc/93/79/48/500937948.db2.gz FBYLHCCCCUAWMI-DSKINZAPSA-N 1 2 373.541 3.430 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000439779771 500937949 /nfs/dbraw/zinc/93/79/49/500937949.db2.gz FBYLHCCCCUAWMI-DSKINZAPSA-N 1 2 373.541 3.430 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000435447630 500979726 /nfs/dbraw/zinc/97/97/26/500979726.db2.gz HSIHXXQXKFMZCK-CYBMUJFWSA-N 1 2 359.376 3.132 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000435447630 500979727 /nfs/dbraw/zinc/97/97/27/500979727.db2.gz HSIHXXQXKFMZCK-CYBMUJFWSA-N 1 2 359.376 3.132 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]C(CF)CF)cc1OC ZINC000449372864 500989005 /nfs/dbraw/zinc/98/90/05/500989005.db2.gz LTWVUBDBSXLRKK-UHFFFAOYSA-N 1 2 350.203 3.420 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440485466 501014406 /nfs/dbraw/zinc/01/44/06/501014406.db2.gz WMVJZCFCEPBCCC-QGZVFWFLSA-N 1 2 365.481 3.367 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440485466 501014409 /nfs/dbraw/zinc/01/44/09/501014409.db2.gz WMVJZCFCEPBCCC-QGZVFWFLSA-N 1 2 365.481 3.367 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000436147128 501078413 /nfs/dbraw/zinc/07/84/13/501078413.db2.gz ZYPUIJZUVMVCDV-UHFFFAOYSA-N 1 2 372.428 3.347 20 30 FGEDLO C=CCC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCC1 ZINC000449810952 501093856 /nfs/dbraw/zinc/09/38/56/501093856.db2.gz JSTLKXQXKATTNP-UHFFFAOYSA-N 1 2 372.509 3.150 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000450396198 501111176 /nfs/dbraw/zinc/11/11/76/501111176.db2.gz VFSUBQGXWLEWOC-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000446767856 501163406 /nfs/dbraw/zinc/16/34/06/501163406.db2.gz WYEKLYZHYFFEDW-QFIPXVFZSA-N 1 2 362.448 3.227 20 30 FGEDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000446767856 501163408 /nfs/dbraw/zinc/16/34/08/501163408.db2.gz WYEKLYZHYFFEDW-QFIPXVFZSA-N 1 2 362.448 3.227 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000596065286 506238657 /nfs/dbraw/zinc/23/86/57/506238657.db2.gz PMHUHVAOMKFJJS-QGZVFWFLSA-N 1 2 364.367 3.013 20 30 FGEDLO COc1cc(C)[nH+]c(COc2c(C#N)cnc3c(OC)cc(OC)cc32)c1 ZINC000441851910 501177245 /nfs/dbraw/zinc/17/72/45/501177245.db2.gz ZBMAAXPPLPPKFK-UHFFFAOYSA-N 1 2 365.389 3.415 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc(C#N)c1Br)CCC2 ZINC000450199005 501208526 /nfs/dbraw/zinc/20/85/26/501208526.db2.gz KAXXCQNJTHSMJI-ZDUSSCGKSA-N 1 2 373.254 3.133 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)c1nc(Cc2ccccc2)no1 ZINC000602644897 506242359 /nfs/dbraw/zinc/24/23/59/506242359.db2.gz MPRLWMKCYIAOAA-JKSUJKDBSA-N 1 2 354.454 3.410 20 30 FGEDLO N#CCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000451294966 501258631 /nfs/dbraw/zinc/25/86/31/501258631.db2.gz JFYPQGXJVYSYFG-AWEZNQCLSA-N 1 2 364.858 3.045 20 30 FGEDLO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596075284 506244077 /nfs/dbraw/zinc/24/40/77/506244077.db2.gz GTCHQBJKLBMEFH-CQSZACIVSA-N 1 2 367.409 3.007 20 30 FGEDLO Cc1ccc([C@H](CNc2nc3ncccc3cc2C#N)[NH+]2CCOCC2)cc1 ZINC000596085903 506248229 /nfs/dbraw/zinc/24/82/29/506248229.db2.gz NTHJULNUSZVKSZ-FQEVSTJZSA-N 1 2 373.460 3.295 20 30 FGEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451873370 501390208 /nfs/dbraw/zinc/39/02/08/501390208.db2.gz OPIYGFLFYBTVGQ-AWEZNQCLSA-N 1 2 350.388 3.127 20 30 FGEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451873370 501390210 /nfs/dbraw/zinc/39/02/10/501390210.db2.gz OPIYGFLFYBTVGQ-AWEZNQCLSA-N 1 2 350.388 3.127 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000596107249 506262426 /nfs/dbraw/zinc/26/24/26/506262426.db2.gz LINQWTKVDRZQAH-ZDUSSCGKSA-N 1 2 357.408 3.072 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459111065 501595646 /nfs/dbraw/zinc/59/56/46/501595646.db2.gz LTPDBNZDROPNOU-CZUORRHYSA-N 1 2 355.398 3.195 20 30 FGEDLO Cn1ncc(C#N)c1NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000596108632 506263193 /nfs/dbraw/zinc/26/31/93/506263193.db2.gz WAZOKPWETYFXOG-KRWDZBQOSA-N 1 2 373.888 3.209 20 30 FGEDLO Cn1ncc(C#N)c1NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000596108632 506263198 /nfs/dbraw/zinc/26/31/98/506263198.db2.gz WAZOKPWETYFXOG-KRWDZBQOSA-N 1 2 373.888 3.209 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454904764 501653008 /nfs/dbraw/zinc/65/30/08/501653008.db2.gz QNAYFJMQCNTKFZ-KSSFIOAISA-N 1 2 374.872 3.306 20 30 FGEDLO Cc1nsc(NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1C#N ZINC000459598033 501684308 /nfs/dbraw/zinc/68/43/08/501684308.db2.gz YSAQEAYYYPUFOC-CYBMUJFWSA-N 1 2 365.409 3.026 20 30 FGEDLO COC(=O)[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000481591362 501824671 /nfs/dbraw/zinc/82/46/71/501824671.db2.gz HDCGUBZYQPCIDZ-NRFANRHFSA-N 1 2 363.461 3.279 20 30 FGEDLO CCc1nnc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)c1CC ZINC000467736067 501856613 /nfs/dbraw/zinc/85/66/13/501856613.db2.gz UFFSUXPZDHIPBD-KBPBESRZSA-N 1 2 366.469 3.225 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000471009145 501890334 /nfs/dbraw/zinc/89/03/34/501890334.db2.gz VBONXLTVVGHRGU-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000582534523 506280070 /nfs/dbraw/zinc/28/00/70/506280070.db2.gz DILWGAQPDJLAHA-UXHICEINSA-N 1 2 357.498 3.186 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000582534523 506280075 /nfs/dbraw/zinc/28/00/75/506280075.db2.gz DILWGAQPDJLAHA-UXHICEINSA-N 1 2 357.498 3.186 20 30 FGEDLO CC(C)(NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000596151673 506281709 /nfs/dbraw/zinc/28/17/09/506281709.db2.gz IUFQRTQHGPCSHB-UHFFFAOYSA-N 1 2 363.465 3.157 20 30 FGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460818709 501928453 /nfs/dbraw/zinc/92/84/53/501928453.db2.gz QLJHGSGFDGIOSA-HNNXBMFYSA-N 1 2 369.415 3.284 20 30 FGEDLO CC[C@H](OC1CCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471163419 501941904 /nfs/dbraw/zinc/94/19/04/501941904.db2.gz VXXRNKKUAIYSAN-NRFANRHFSA-N 1 2 369.509 3.330 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000460996771 501985713 /nfs/dbraw/zinc/98/57/13/501985713.db2.gz AEUSRXSMEPBUOJ-FQEVSTJZSA-N 1 2 360.498 3.005 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474924409 501993481 /nfs/dbraw/zinc/99/34/81/501993481.db2.gz GRNLWOCVRVPLFK-QMMMGPOBSA-N 1 2 350.150 3.351 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000482179490 501998798 /nfs/dbraw/zinc/99/87/98/501998798.db2.gz JKJSBXWLQOBUHG-UHFFFAOYSA-N 1 2 360.417 3.218 20 30 FGEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464502961 502007903 /nfs/dbraw/zinc/00/79/03/502007903.db2.gz TWUUEPPZSSFNJV-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464502961 502007908 /nfs/dbraw/zinc/00/79/08/502007908.db2.gz TWUUEPPZSSFNJV-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468505951 502084617 /nfs/dbraw/zinc/08/46/17/502084617.db2.gz QQNRWOQCCRTYSL-UHFFFAOYSA-N 1 2 371.400 3.301 20 30 FGEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508673 502093070 /nfs/dbraw/zinc/09/30/70/502093070.db2.gz OKOYUOZDPZTDQV-NVXWUHKLSA-N 1 2 360.454 3.151 20 30 FGEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508673 502093072 /nfs/dbraw/zinc/09/30/72/502093072.db2.gz OKOYUOZDPZTDQV-NVXWUHKLSA-N 1 2 360.454 3.151 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817409 502104062 /nfs/dbraw/zinc/10/40/62/502104062.db2.gz ZHQOVFXLPCBRBA-YADHBBJMSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464817409 502104068 /nfs/dbraw/zinc/10/40/68/502104068.db2.gz ZHQOVFXLPCBRBA-YADHBBJMSA-N 1 2 361.489 3.426 20 30 FGEDLO C=CCCC1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)CC1 ZINC000475318097 502132469 /nfs/dbraw/zinc/13/24/69/502132469.db2.gz IHGJFVYFCTUXBJ-UHFFFAOYSA-N 1 2 372.900 3.378 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000462018566 502277056 /nfs/dbraw/zinc/27/70/56/502277056.db2.gz VSBCMLOSPCRNEA-GFCCVEGCSA-N 1 2 350.344 3.079 20 30 FGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000479617165 502320156 /nfs/dbraw/zinc/32/01/56/502320156.db2.gz LDUNOPSICBMDDK-HNNXBMFYSA-N 1 2 369.450 3.002 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000465617067 502326339 /nfs/dbraw/zinc/32/63/39/502326339.db2.gz XVVWJUCAAWWVAO-UHFFFAOYSA-N 1 2 354.429 3.413 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000465617067 502326345 /nfs/dbraw/zinc/32/63/45/502326345.db2.gz XVVWJUCAAWWVAO-UHFFFAOYSA-N 1 2 354.429 3.413 20 30 FGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483425038 502387638 /nfs/dbraw/zinc/38/76/38/502387638.db2.gz GONVCDWRENQDHT-YJBOKZPZSA-N 1 2 369.383 3.207 20 30 FGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483425038 502387640 /nfs/dbraw/zinc/38/76/40/502387640.db2.gz GONVCDWRENQDHT-YJBOKZPZSA-N 1 2 369.383 3.207 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469434319 502415677 /nfs/dbraw/zinc/41/56/77/502415677.db2.gz OIMMNKYCPDBIQP-AZUAARDMSA-N 1 2 365.433 3.037 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000466399055 502558587 /nfs/dbraw/zinc/55/85/87/502558587.db2.gz LSNCTORSWUVWJW-QUCCMNQESA-N 1 2 359.514 3.274 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469883590 502583788 /nfs/dbraw/zinc/58/37/88/502583788.db2.gz JQPPLFQWHQIRRK-ROUUACIJSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469883590 502583791 /nfs/dbraw/zinc/58/37/91/502583791.db2.gz JQPPLFQWHQIRRK-ROUUACIJSA-N 1 2 359.351 3.151 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)ccc1Cl ZINC000476974218 502637632 /nfs/dbraw/zinc/63/76/32/502637632.db2.gz ZDVXNCGPIQHCOO-OAHLLOKOSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)ccc1Cl ZINC000476974218 502637635 /nfs/dbraw/zinc/63/76/35/502637635.db2.gz ZDVXNCGPIQHCOO-OAHLLOKOSA-N 1 2 363.889 3.394 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000602864523 506330824 /nfs/dbraw/zinc/33/08/24/506330824.db2.gz RTKXPUIPYANQNN-GXTWGEPZSA-N 1 2 358.492 3.379 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000463442462 502806938 /nfs/dbraw/zinc/80/69/38/502806938.db2.gz HIEGAKHJTGMILC-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500577067 502818236 /nfs/dbraw/zinc/81/82/36/502818236.db2.gz WARHCMHUEKHPOX-CABCVRRESA-N 1 2 352.841 3.073 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500577067 502818240 /nfs/dbraw/zinc/81/82/40/502818240.db2.gz WARHCMHUEKHPOX-CABCVRRESA-N 1 2 352.841 3.073 20 30 FGEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c3c(Br)cccc23)C1=O ZINC000513047982 502838869 /nfs/dbraw/zinc/83/88/69/502838869.db2.gz WOVWUQUSALEPOQ-HNNXBMFYSA-N 1 2 360.255 3.220 20 30 FGEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000496670774 502898027 /nfs/dbraw/zinc/89/80/27/502898027.db2.gz OJBSAJHERAIJBX-OAHLLOKOSA-N 1 2 366.868 3.292 20 30 FGEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000496670774 502898033 /nfs/dbraw/zinc/89/80/33/502898033.db2.gz OJBSAJHERAIJBX-OAHLLOKOSA-N 1 2 366.868 3.292 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000505584604 502941333 /nfs/dbraw/zinc/94/13/33/502941333.db2.gz INCUZJCTYUZKDZ-APWZRJJASA-N 1 2 366.465 3.050 20 30 FGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000489494488 502971986 /nfs/dbraw/zinc/97/19/86/502971986.db2.gz HZWZGMXZFFBIKS-LBPRGKRZSA-N 1 2 360.483 3.299 20 30 FGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000489494488 502971992 /nfs/dbraw/zinc/97/19/92/502971992.db2.gz HZWZGMXZFFBIKS-LBPRGKRZSA-N 1 2 360.483 3.299 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902866 506345102 /nfs/dbraw/zinc/34/51/02/506345102.db2.gz FTPJVNWEIHMZLF-LJQANCHMSA-N 1 2 353.397 3.186 20 30 FGEDLO Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667819 502996034 /nfs/dbraw/zinc/99/60/34/502996034.db2.gz WPIFILDKTVQDNH-VGOFRKELSA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667819 502996039 /nfs/dbraw/zinc/99/60/39/502996039.db2.gz WPIFILDKTVQDNH-VGOFRKELSA-N 1 2 361.445 3.028 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000514016018 503069459 /nfs/dbraw/zinc/06/94/59/503069459.db2.gz RGUYUXOWLSFFMD-OAHLLOKOSA-N 1 2 364.902 3.381 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000506252316 503079114 /nfs/dbraw/zinc/07/91/14/503079114.db2.gz CJZNBRYDYPFILM-FQEVSTJZSA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000506252316 503079116 /nfs/dbraw/zinc/07/91/16/503079116.db2.gz CJZNBRYDYPFILM-FQEVSTJZSA-N 1 2 357.498 3.297 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000514089110 503084043 /nfs/dbraw/zinc/08/40/43/503084043.db2.gz OLZHCSODXZQOQN-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1Cl ZINC000506686470 503156526 /nfs/dbraw/zinc/15/65/26/503156526.db2.gz GEJDBXLSGLQVKF-UHFFFAOYSA-N 1 2 368.868 3.494 20 30 FGEDLO N#Cc1cccc(CCNC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000514753743 503184108 /nfs/dbraw/zinc/18/41/08/503184108.db2.gz KWQHMKQJNOHFEJ-UHFFFAOYSA-N 1 2 373.460 3.039 20 30 FGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000510936523 503221141 /nfs/dbraw/zinc/22/11/41/503221141.db2.gz VREKSCADXMTRLU-LLVKDONJSA-N 1 2 358.244 3.498 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507279707 503267846 /nfs/dbraw/zinc/26/78/46/503267846.db2.gz PDJQPEZYWIFRIP-HNNXBMFYSA-N 1 2 368.868 3.361 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491084387 503271029 /nfs/dbraw/zinc/27/10/29/503271029.db2.gz GPFOZBZDCGPPLO-UHFFFAOYSA-N 1 2 358.348 3.067 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)Cc2c(F)cccc2C#N)c1)[NH+]1CCOCC1 ZINC000511192553 503277245 /nfs/dbraw/zinc/27/72/45/503277245.db2.gz KQBYKESZYXVGCM-HNNXBMFYSA-N 1 2 367.424 3.272 20 30 FGEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000511194044 503278375 /nfs/dbraw/zinc/27/83/75/503278375.db2.gz ZUSBLIIOLUNPQE-IBGZPJMESA-N 1 2 360.417 3.490 20 30 FGEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000511194044 503278379 /nfs/dbraw/zinc/27/83/79/503278379.db2.gz ZUSBLIIOLUNPQE-IBGZPJMESA-N 1 2 360.417 3.490 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000498972535 503307067 /nfs/dbraw/zinc/30/70/67/503307067.db2.gz DTCCSZRJIJZHMW-YOEHRIQHSA-N 1 2 363.339 3.134 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000498972535 503307070 /nfs/dbraw/zinc/30/70/70/503307070.db2.gz DTCCSZRJIJZHMW-YOEHRIQHSA-N 1 2 363.339 3.134 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928810 503309062 /nfs/dbraw/zinc/30/90/62/503309062.db2.gz MONITTCEVBMXBF-RTBURBONSA-N 1 2 350.466 3.391 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928810 503309064 /nfs/dbraw/zinc/30/90/64/503309064.db2.gz MONITTCEVBMXBF-RTBURBONSA-N 1 2 350.466 3.391 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](CC)CO1 ZINC000593057571 506365864 /nfs/dbraw/zinc/36/58/64/506365864.db2.gz FVELRENJMFHKEO-RTBURBONSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](CC)CO1 ZINC000593057571 506365872 /nfs/dbraw/zinc/36/58/72/506365872.db2.gz FVELRENJMFHKEO-RTBURBONSA-N 1 2 357.498 3.440 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000507674135 503344196 /nfs/dbraw/zinc/34/41/96/503344196.db2.gz RCGCKJMGEUHJQC-MRXNPFEDSA-N 1 2 365.468 3.068 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602974595 506371004 /nfs/dbraw/zinc/37/10/04/506371004.db2.gz QMRINQMZOFNEIO-HZPDHXFCSA-N 1 2 353.388 3.202 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602974595 506371013 /nfs/dbraw/zinc/37/10/13/506371013.db2.gz QMRINQMZOFNEIO-HZPDHXFCSA-N 1 2 353.388 3.202 20 30 FGEDLO COc1ccc2[nH+]c(C)cc(OCC(=O)NCc3ccc(C#N)cc3)c2c1 ZINC000511894329 503409626 /nfs/dbraw/zinc/40/96/26/503409626.db2.gz AFIMOVCKPWZYBK-UHFFFAOYSA-N 1 2 361.401 3.119 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503580925 503440816 /nfs/dbraw/zinc/44/08/16/503440816.db2.gz HJYQGLCKXQWRSW-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(Br)cccc2C1 ZINC000503580925 503440818 /nfs/dbraw/zinc/44/08/18/503440818.db2.gz HJYQGLCKXQWRSW-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000508319982 503474212 /nfs/dbraw/zinc/47/42/12/503474212.db2.gz ZKJHBHWVJYVDNN-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000508319982 503474216 /nfs/dbraw/zinc/47/42/16/503474216.db2.gz ZKJHBHWVJYVDNN-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(CO)o1 ZINC000512180193 503478496 /nfs/dbraw/zinc/47/84/96/503478496.db2.gz MZISTEWEKAPLQZ-UHFFFAOYSA-N 1 2 358.438 3.187 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1OCC)Cc1ccc(CO)o1 ZINC000512180193 503478500 /nfs/dbraw/zinc/47/85/00/503478500.db2.gz MZISTEWEKAPLQZ-UHFFFAOYSA-N 1 2 358.438 3.187 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000512187881 503480557 /nfs/dbraw/zinc/48/05/57/503480557.db2.gz ZUXBKXQFWUVIIP-UHFFFAOYSA-N 1 2 368.456 3.276 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(CO)o1 ZINC000512194409 503482169 /nfs/dbraw/zinc/48/21/69/503482169.db2.gz KQKRUTCLKSADSP-UHFFFAOYSA-N 1 2 372.490 3.289 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(CO)o1 ZINC000512194409 503482173 /nfs/dbraw/zinc/48/21/73/503482173.db2.gz KQKRUTCLKSADSP-UHFFFAOYSA-N 1 2 372.490 3.289 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000512231241 503492933 /nfs/dbraw/zinc/49/29/33/503492933.db2.gz XLUHXAOKIBXNDF-INIZCTEOSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000512231241 503492935 /nfs/dbraw/zinc/49/29/35/503492935.db2.gz XLUHXAOKIBXNDF-INIZCTEOSA-N 1 2 354.450 3.128 20 30 FGEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000516376388 503503797 /nfs/dbraw/zinc/50/37/97/503503797.db2.gz XSNMPISGWAKSTC-GXTWGEPZSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000516376388 503503802 /nfs/dbraw/zinc/50/38/02/503503802.db2.gz XSNMPISGWAKSTC-GXTWGEPZSA-N 1 2 367.434 3.279 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494268539 503517282 /nfs/dbraw/zinc/51/72/82/503517282.db2.gz PNJCHLRDPLKDAE-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494268539 503517287 /nfs/dbraw/zinc/51/72/87/503517287.db2.gz PNJCHLRDPLKDAE-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943877 503517870 /nfs/dbraw/zinc/51/78/70/503517870.db2.gz HZGAGYXJNXUDMB-RISCZKNCSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943877 503517874 /nfs/dbraw/zinc/51/78/74/503517874.db2.gz HZGAGYXJNXUDMB-RISCZKNCSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1=O ZINC000500007450 503532754 /nfs/dbraw/zinc/53/27/54/503532754.db2.gz IADATGCGLAHQNN-BXWFABGCSA-N 1 2 357.498 3.246 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1=O ZINC000500007450 503532757 /nfs/dbraw/zinc/53/27/57/503532757.db2.gz IADATGCGLAHQNN-BXWFABGCSA-N 1 2 357.498 3.246 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000512392693 503535642 /nfs/dbraw/zinc/53/56/42/503535642.db2.gz XGFFXCWCMHDTEC-UHFFFAOYSA-N 1 2 358.380 3.103 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000494700973 503595682 /nfs/dbraw/zinc/59/56/82/503595682.db2.gz CJIFJSWMSIUEDI-NRFANRHFSA-N 1 2 363.461 3.491 20 30 FGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000494700973 503595688 /nfs/dbraw/zinc/59/56/88/503595688.db2.gz CJIFJSWMSIUEDI-NRFANRHFSA-N 1 2 363.461 3.491 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512802100 503635002 /nfs/dbraw/zinc/63/50/02/503635002.db2.gz QMRREFMDHJUQLS-HXUWFJFHSA-N 1 2 368.408 3.455 20 30 FGEDLO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512806476 503635659 /nfs/dbraw/zinc/63/56/59/503635659.db2.gz WNDMKRCSTOSXHF-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000512828507 503641174 /nfs/dbraw/zinc/64/11/74/503641174.db2.gz PGBSCGRNAQVARE-RDTXWAMCSA-N 1 2 369.490 3.120 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000512828507 503641175 /nfs/dbraw/zinc/64/11/75/503641175.db2.gz PGBSCGRNAQVARE-RDTXWAMCSA-N 1 2 369.490 3.120 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000495072038 503657923 /nfs/dbraw/zinc/65/79/23/503657923.db2.gz ZMFUTNPYARFUKO-FQEVSTJZSA-N 1 2 374.868 3.338 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C2CC2)cc1 ZINC000543177409 503662328 /nfs/dbraw/zinc/66/23/28/503662328.db2.gz HTFDEFHBVYATIE-UHFFFAOYSA-N 1 2 352.463 3.107 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C2CC2)cc1 ZINC000543177409 503662333 /nfs/dbraw/zinc/66/23/33/503662333.db2.gz HTFDEFHBVYATIE-UHFFFAOYSA-N 1 2 352.463 3.107 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536708246 503689373 /nfs/dbraw/zinc/68/93/73/503689373.db2.gz ZCOPCSIDQLYBHS-OAQYLSRUSA-N 1 2 363.461 3.238 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536708246 503689379 /nfs/dbraw/zinc/68/93/79/503689379.db2.gz ZCOPCSIDQLYBHS-OAQYLSRUSA-N 1 2 363.461 3.238 20 30 FGEDLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527297928 503756918 /nfs/dbraw/zinc/75/69/18/503756918.db2.gz YYGXLNPPJDCCEX-MRXNPFEDSA-N 1 2 353.466 3.125 20 30 FGEDLO C=CCOc1cccnc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537089277 503798194 /nfs/dbraw/zinc/79/81/94/503798194.db2.gz WTYGVJZPGJVIMX-INIZCTEOSA-N 1 2 367.449 3.292 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000543543488 503807469 /nfs/dbraw/zinc/80/74/69/503807469.db2.gz UJOQGMWGZIEIFE-LSDHHAIUSA-N 1 2 372.444 3.424 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 ZINC000543548036 503809940 /nfs/dbraw/zinc/80/99/40/503809940.db2.gz SUFPFMOYMQOJCE-RYUDHWBXSA-N 1 2 359.455 3.062 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000517751084 503825699 /nfs/dbraw/zinc/82/56/99/503825699.db2.gz FXXSWJSVYVLYFN-OAHLLOKOSA-N 1 2 361.854 3.365 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000517751084 503825704 /nfs/dbraw/zinc/82/57/04/503825704.db2.gz FXXSWJSVYVLYFN-OAHLLOKOSA-N 1 2 361.854 3.365 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533425799 503838934 /nfs/dbraw/zinc/83/89/34/503838934.db2.gz IFEUFGMWIFLVPB-UHFFFAOYSA-N 1 2 374.529 3.043 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000533425799 503838937 /nfs/dbraw/zinc/83/89/37/503838937.db2.gz IFEUFGMWIFLVPB-UHFFFAOYSA-N 1 2 374.529 3.043 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537266532 503863978 /nfs/dbraw/zinc/86/39/78/503863978.db2.gz UGHVCBZOPKYJHA-MRXNPFEDSA-N 1 2 359.518 3.485 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C#N)s3)CCCC2)no1 ZINC000537308822 503875680 /nfs/dbraw/zinc/87/56/80/503875680.db2.gz NTJVXDFDFLBSCP-UHFFFAOYSA-N 1 2 359.499 3.404 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc([S@](C)=O)cc1 ZINC000543909157 503938778 /nfs/dbraw/zinc/93/87/78/503938778.db2.gz SWTJTPFUNFIQHK-SRGMZFCMSA-N 1 2 366.446 3.196 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)n1 ZINC000546965374 503939993 /nfs/dbraw/zinc/93/99/93/503939993.db2.gz DJGZFUZZIJDYAI-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000547098291 503982857 /nfs/dbraw/zinc/98/28/57/503982857.db2.gz HDFNQCYILKEVGQ-HNNXBMFYSA-N 1 2 352.419 3.243 20 30 FGEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000547098291 503982863 /nfs/dbraw/zinc/98/28/63/503982863.db2.gz HDFNQCYILKEVGQ-HNNXBMFYSA-N 1 2 352.419 3.243 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000530721968 504065254 /nfs/dbraw/zinc/06/52/54/504065254.db2.gz AGBLDMVFHWVBMI-UHFFFAOYSA-N 1 2 367.478 3.295 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000530721968 504065257 /nfs/dbraw/zinc/06/52/57/504065257.db2.gz AGBLDMVFHWVBMI-UHFFFAOYSA-N 1 2 367.478 3.295 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000530909201 504127262 /nfs/dbraw/zinc/12/72/62/504127262.db2.gz SPMVAXACBWULDL-LJQANCHMSA-N 1 2 364.836 3.393 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC000531549282 504342634 /nfs/dbraw/zinc/34/26/34/504342634.db2.gz OVDUVOQSHRQGJM-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000531549282 504342629 /nfs/dbraw/zinc/34/26/29/504342629.db2.gz OVDUVOQSHRQGJM-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000545187321 504389882 /nfs/dbraw/zinc/38/98/82/504389882.db2.gz GPSXURQMBSQDLX-GOSISDBHSA-N 1 2 363.461 3.446 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000545187321 504389887 /nfs/dbraw/zinc/38/98/87/504389887.db2.gz GPSXURQMBSQDLX-GOSISDBHSA-N 1 2 363.461 3.446 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000520160930 504423647 /nfs/dbraw/zinc/42/36/47/504423647.db2.gz VMUOTPMMGVQJHP-UHFFFAOYSA-N 1 2 365.481 3.387 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H](C)O1 ZINC000531842084 504442655 /nfs/dbraw/zinc/44/26/55/504442655.db2.gz BCVYUHKYCJIWGD-RDJZCZTQSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H](C)O1 ZINC000531842084 504442658 /nfs/dbraw/zinc/44/26/58/504442658.db2.gz BCVYUHKYCJIWGD-RDJZCZTQSA-N 1 2 363.889 3.394 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000539028840 504451086 /nfs/dbraw/zinc/45/10/86/504451086.db2.gz HNDDNNMICSKBCY-ZWKOTPCHSA-N 1 2 363.889 3.072 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000539028840 504451090 /nfs/dbraw/zinc/45/10/90/504451090.db2.gz HNDDNNMICSKBCY-ZWKOTPCHSA-N 1 2 363.889 3.072 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000535978546 504598617 /nfs/dbraw/zinc/59/86/17/504598617.db2.gz QAZJEHZDZYDVEA-LBPRGKRZSA-N 1 2 363.343 3.332 20 30 FGEDLO N#Cc1cccc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000539602095 504623033 /nfs/dbraw/zinc/62/30/33/504623033.db2.gz YTPQPRGYMDHDOX-UHFFFAOYSA-N 1 2 356.433 3.229 20 30 FGEDLO N#Cc1cccc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)c1 ZINC000539602095 504623037 /nfs/dbraw/zinc/62/30/37/504623037.db2.gz YTPQPRGYMDHDOX-UHFFFAOYSA-N 1 2 356.433 3.229 20 30 FGEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000536173959 504657098 /nfs/dbraw/zinc/65/70/98/504657098.db2.gz HAKUTVGYSSDASY-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1Cl ZINC000539783984 504685793 /nfs/dbraw/zinc/68/57/93/504685793.db2.gz CXCAOXMIFCQBBU-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000549151701 504705189 /nfs/dbraw/zinc/70/51/89/504705189.db2.gz YNTUPEDSMIZSRL-UHFFFAOYSA-N 1 2 357.479 3.075 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000549151701 504705191 /nfs/dbraw/zinc/70/51/91/504705191.db2.gz YNTUPEDSMIZSRL-UHFFFAOYSA-N 1 2 357.479 3.075 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549179190 504715111 /nfs/dbraw/zinc/71/51/11/504715111.db2.gz WCERUEMQRFKPPD-QGZVFWFLSA-N 1 2 371.378 3.338 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549179190 504715115 /nfs/dbraw/zinc/71/51/15/504715115.db2.gz WCERUEMQRFKPPD-QGZVFWFLSA-N 1 2 371.378 3.338 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532730924 504747169 /nfs/dbraw/zinc/74/71/69/504747169.db2.gz MQFHDNGNFCFJDL-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532730924 504747173 /nfs/dbraw/zinc/74/71/73/504747173.db2.gz MQFHDNGNFCFJDL-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO Cc1cc(C)cc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000532904879 504772374 /nfs/dbraw/zinc/77/23/74/504772374.db2.gz NVNAHNWJSDZXEO-UHFFFAOYSA-N 1 2 361.489 3.452 20 30 FGEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000556118716 504800164 /nfs/dbraw/zinc/80/01/64/504800164.db2.gz IMMJKYLCHZKLCL-QLOJAFMTSA-N 1 2 374.448 3.141 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3c(F)c(F)c(F)cc31)CCC2 ZINC000565354965 504863364 /nfs/dbraw/zinc/86/33/64/504863364.db2.gz NJABPXLXJDOZNM-NSHDSACASA-N 1 2 371.366 3.440 20 30 FGEDLO CC#CC[N@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000559458769 504867656 /nfs/dbraw/zinc/86/76/56/504867656.db2.gz LBQKCRPQESSJRM-UHFFFAOYSA-N 1 2 366.202 3.401 20 30 FGEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000559458769 504867660 /nfs/dbraw/zinc/86/76/60/504867660.db2.gz LBQKCRPQESSJRM-UHFFFAOYSA-N 1 2 366.202 3.401 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccc(F)cc1 ZINC000559977511 504962024 /nfs/dbraw/zinc/96/20/24/504962024.db2.gz SDTYQBUINBEXLQ-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccc(F)cc1 ZINC000559977511 504962028 /nfs/dbraw/zinc/96/20/28/504962028.db2.gz SDTYQBUINBEXLQ-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000550081780 504963044 /nfs/dbraw/zinc/96/30/44/504963044.db2.gz GOIBQLVWYPAURD-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000550081780 504963050 /nfs/dbraw/zinc/96/30/50/504963050.db2.gz GOIBQLVWYPAURD-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1C ZINC000550143597 504977218 /nfs/dbraw/zinc/97/72/18/504977218.db2.gz UBXLIDXWFTYNCB-HXUWFJFHSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1C ZINC000550143597 504977220 /nfs/dbraw/zinc/97/72/20/504977220.db2.gz UBXLIDXWFTYNCB-HXUWFJFHSA-N 1 2 369.509 3.441 20 30 FGEDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000565772581 504982476 /nfs/dbraw/zinc/98/24/76/504982476.db2.gz CQBGNJBZDNEMSJ-JKSUJKDBSA-N 1 2 361.511 3.376 20 30 FGEDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000565772581 504982480 /nfs/dbraw/zinc/98/24/80/504982480.db2.gz CQBGNJBZDNEMSJ-JKSUJKDBSA-N 1 2 361.511 3.376 20 30 FGEDLO N#Cc1cc(Cl)cc(Br)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000557585985 505176159 /nfs/dbraw/zinc/17/61/59/505176159.db2.gz VIQKFWZSXFERLS-CYBMUJFWSA-N 1 2 352.663 3.425 20 30 FGEDLO C=CCN(CC=C)C(=O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000551360293 505209501 /nfs/dbraw/zinc/20/95/01/505209501.db2.gz NMYDDUUIBNRBDB-UHFFFAOYSA-N 1 2 351.450 3.466 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000551404330 505218809 /nfs/dbraw/zinc/21/88/09/505218809.db2.gz WWLZBGVTQCHAIA-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000551404330 505218811 /nfs/dbraw/zinc/21/88/11/505218811.db2.gz WWLZBGVTQCHAIA-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000563869839 505262377 /nfs/dbraw/zinc/26/23/77/505262377.db2.gz RHERSCNXEHBNQD-DOTOQJQBSA-N 1 2 356.474 3.454 20 30 FGEDLO Cc1cc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCOCC2)cc(C#N)n1 ZINC000561188974 505275546 /nfs/dbraw/zinc/27/55/46/505275546.db2.gz SOJJVQSLDSCBCL-LJQANCHMSA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1C#N ZINC000555100278 505349523 /nfs/dbraw/zinc/34/95/23/505349523.db2.gz SYXQHWRRTKBQRQ-UHFFFAOYSA-N 1 2 370.507 3.097 20 30 FGEDLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)F)C[C@](C)(C(F)(F)F)O1 ZINC000555605987 505471712 /nfs/dbraw/zinc/47/17/12/505471712.db2.gz YVODHCBCZJAQQN-LLVKDONJSA-N 1 2 355.294 3.335 20 30 FGEDLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)F)C[C@](C)(C(F)(F)F)O1 ZINC000555605987 505471714 /nfs/dbraw/zinc/47/17/14/505471714.db2.gz YVODHCBCZJAQQN-LLVKDONJSA-N 1 2 355.294 3.335 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1C#N ZINC000558817711 505502070 /nfs/dbraw/zinc/50/20/70/505502070.db2.gz SIBIYKQKBUZCOH-NSHDSACASA-N 1 2 374.238 3.353 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277589 506395802 /nfs/dbraw/zinc/39/58/02/506395802.db2.gz OKXOMDLDYZCGEE-ABAIWWIYSA-N 1 2 350.260 3.184 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000612135465 506455953 /nfs/dbraw/zinc/45/59/53/506455953.db2.gz QBSUEULPXHWXMR-NRFANRHFSA-N 1 2 365.481 3.351 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163860 506467086 /nfs/dbraw/zinc/46/70/86/506467086.db2.gz VMAWZSNWMPIDPE-KRWDZBQOSA-N 1 2 364.287 3.033 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163860 506467092 /nfs/dbraw/zinc/46/70/92/506467092.db2.gz VMAWZSNWMPIDPE-KRWDZBQOSA-N 1 2 364.287 3.033 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000603283723 506477198 /nfs/dbraw/zinc/47/71/98/506477198.db2.gz MZMKKGYOSWDJLT-UHFFFAOYSA-N 1 2 366.465 3.197 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCCCC1 ZINC000599515390 506482253 /nfs/dbraw/zinc/48/22/53/506482253.db2.gz QKJDYBDXCRGKJV-MRXNPFEDSA-N 1 2 361.436 3.487 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCCCC1 ZINC000599515390 506482262 /nfs/dbraw/zinc/48/22/62/506482262.db2.gz QKJDYBDXCRGKJV-MRXNPFEDSA-N 1 2 361.436 3.487 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)NC(C)(C)c3cccc(C#N)c3)cn21 ZINC000596644813 506506921 /nfs/dbraw/zinc/50/69/21/506506921.db2.gz QCRPWYYDNFDBSC-UHFFFAOYSA-N 1 2 361.449 3.291 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c(F)c1 ZINC000589312496 506513280 /nfs/dbraw/zinc/51/32/80/506513280.db2.gz MPOFAJOIKFLAMO-UHFFFAOYSA-N 1 2 359.202 3.397 20 30 FGEDLO N#CC1(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCCC1 ZINC000596660585 506516306 /nfs/dbraw/zinc/51/63/06/506516306.db2.gz CVHNSYZNZVDHCB-UHFFFAOYSA-N 1 2 355.482 3.074 20 30 FGEDLO COC(=O)[C@]1([NH2+]CCCCC#N)CCc2cc(Br)ccc2C1 ZINC000599595782 506521321 /nfs/dbraw/zinc/52/13/21/506521321.db2.gz QAGHSCSGEPGDEV-KRWDZBQOSA-N 1 2 365.271 3.133 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677726 506575490 /nfs/dbraw/zinc/57/54/90/506575490.db2.gz CZYATKBFHMBUBA-SFHVURJKSA-N 1 2 361.489 3.167 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677726 506575494 /nfs/dbraw/zinc/57/54/94/506575494.db2.gz CZYATKBFHMBUBA-SFHVURJKSA-N 1 2 361.489 3.167 20 30 FGEDLO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000599684535 506578644 /nfs/dbraw/zinc/57/86/44/506578644.db2.gz YAFWPFDFPCWKEN-ICSRJNTNSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000599684535 506578650 /nfs/dbraw/zinc/57/86/50/506578650.db2.gz YAFWPFDFPCWKEN-ICSRJNTNSA-N 1 2 374.431 3.496 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000599694074 506586451 /nfs/dbraw/zinc/58/64/51/506586451.db2.gz GJALKEJBDVOOOM-DABQJJPHSA-N 1 2 365.271 3.483 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000599694074 506586448 /nfs/dbraw/zinc/58/64/48/506586448.db2.gz GJALKEJBDVOOOM-DABQJJPHSA-N 1 2 365.271 3.483 20 30 FGEDLO N#CC1(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC000593408671 506606196 /nfs/dbraw/zinc/60/61/96/506606196.db2.gz HSEVGAHGVUADPK-UHFFFAOYSA-N 1 2 357.845 3.409 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC#N)CC1 ZINC000593463636 506634179 /nfs/dbraw/zinc/63/41/79/506634179.db2.gz ASUCOGGBQWOQKP-GOSISDBHSA-N 1 2 351.454 3.039 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CC2 ZINC000599899790 506702410 /nfs/dbraw/zinc/70/24/10/506702410.db2.gz JHQNLRTYLPUVLE-LLVKDONJSA-N 1 2 364.327 3.163 20 30 FGEDLO N#CC1(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000593671042 506720954 /nfs/dbraw/zinc/72/09/54/506720954.db2.gz BUOUQCDXOOATIX-UHFFFAOYSA-N 1 2 364.405 3.013 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)c(F)c1 ZINC000597126234 506789261 /nfs/dbraw/zinc/78/92/61/506789261.db2.gz HUBJIDBJMASIAQ-UHFFFAOYSA-N 1 2 355.417 3.057 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000597182496 506820200 /nfs/dbraw/zinc/82/02/00/506820200.db2.gz CUJYBGSNYUGJCF-HNNXBMFYSA-N 1 2 360.508 3.250 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000593953372 506846492 /nfs/dbraw/zinc/84/64/92/506846492.db2.gz FKPDLQYDXGNYCN-INIZCTEOSA-N 1 2 353.491 3.143 20 30 FGEDLO CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000597229028 506848260 /nfs/dbraw/zinc/84/82/60/506848260.db2.gz GLTNVXYCCFFDEH-UHFFFAOYSA-N 1 2 356.470 3.396 20 30 FGEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000597229028 506848266 /nfs/dbraw/zinc/84/82/66/506848266.db2.gz GLTNVXYCCFFDEH-UHFFFAOYSA-N 1 2 356.470 3.396 20 30 FGEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000597229028 506848273 /nfs/dbraw/zinc/84/82/73/506848273.db2.gz GLTNVXYCCFFDEH-UHFFFAOYSA-N 1 2 356.470 3.396 20 30 FGEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCCn3cc[nH+]c3)c2)c1 ZINC000604527887 506862678 /nfs/dbraw/zinc/86/26/78/506862678.db2.gz BRPCSFSPDHBYCS-UHFFFAOYSA-N 1 2 373.416 3.426 20 30 FGEDLO C[C@](C#N)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000590668707 506901579 /nfs/dbraw/zinc/90/15/79/506901579.db2.gz SATBLFWBSKZLCP-LJQANCHMSA-N 1 2 367.409 3.373 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000609564555 506923922 /nfs/dbraw/zinc/92/39/22/506923922.db2.gz AQZMZTBHMZXGOY-FQEVSTJZSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000609800779 507007898 /nfs/dbraw/zinc/00/78/98/507007898.db2.gz SPVZSLOFWLTODS-KRWDZBQOSA-N 1 2 355.463 3.497 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000609800779 507007904 /nfs/dbraw/zinc/00/79/04/507007904.db2.gz SPVZSLOFWLTODS-KRWDZBQOSA-N 1 2 355.463 3.497 20 30 FGEDLO N#Cc1c(F)cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000597580061 507017255 /nfs/dbraw/zinc/01/72/55/507017255.db2.gz GKEVEXXIHCLTPA-UHFFFAOYSA-N 1 2 370.403 3.389 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)c4ccccc4n3)c[nH+]2)C[C@H](C)O1 ZINC000609891739 507039673 /nfs/dbraw/zinc/03/96/73/507039673.db2.gz IILKETXHCQVSIA-IYBDPMFKSA-N 1 2 373.460 3.149 20 30 FGEDLO Cc1ccc([C@@H](CNc2cc(C#N)c3ccccc3n2)[NH+]2CCOCC2)cc1 ZINC000609894803 507041373 /nfs/dbraw/zinc/04/13/73/507041373.db2.gz YIJLVZRASNFQOI-JOCHJYFZSA-N 1 2 372.472 3.322 20 30 FGEDLO C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc(C#N)c1 ZINC000594303725 507070124 /nfs/dbraw/zinc/07/01/24/507070124.db2.gz HKOCFLBNWPVZGE-FZMZJTMJSA-N 1 2 350.344 3.205 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000594610409 507211900 /nfs/dbraw/zinc/21/19/00/507211900.db2.gz DMNBEVXPEUVAON-UHFFFAOYSA-N 1 2 359.433 3.383 20 30 FGEDLO COc1ccc2c(c1)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000594610409 507211905 /nfs/dbraw/zinc/21/19/05/507211905.db2.gz DMNBEVXPEUVAON-UHFFFAOYSA-N 1 2 359.433 3.383 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000605902709 507301678 /nfs/dbraw/zinc/30/16/78/507301678.db2.gz QMEMCNYWKASUGA-AZUAARDMSA-N 1 2 371.477 3.384 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000605902709 507301684 /nfs/dbraw/zinc/30/16/84/507301684.db2.gz QMEMCNYWKASUGA-AZUAARDMSA-N 1 2 371.477 3.384 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)c1C#N ZINC000584382992 507313023 /nfs/dbraw/zinc/31/30/23/507313023.db2.gz XAMYRRYBCBUKOL-NSCUHMNNSA-N 1 2 360.433 3.437 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)NCC3(C#N)CCCCC3)c2)cc[nH+]1 ZINC000598310745 507372645 /nfs/dbraw/zinc/37/26/45/507372645.db2.gz LRKVADKEAPOGPQ-UHFFFAOYSA-N 1 2 363.465 3.023 20 30 FGEDLO N#Cc1cccc(C2([NH2+][C@H]3CCS(=O)(=O)c4ccc(F)cc43)CC2)c1 ZINC000614149621 507385726 /nfs/dbraw/zinc/38/57/26/507385726.db2.gz GVMZEGHDRNDJDR-KRWDZBQOSA-N 1 2 356.422 3.195 20 30 FGEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000591977371 507438948 /nfs/dbraw/zinc/43/89/48/507438948.db2.gz XINHCIFESGXPDQ-MRXNPFEDSA-N 1 2 351.328 3.297 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 ZINC000610991282 507470517 /nfs/dbraw/zinc/47/05/17/507470517.db2.gz CLERKQKBOPSEHW-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 ZINC000610991282 507470523 /nfs/dbraw/zinc/47/05/23/507470523.db2.gz CLERKQKBOPSEHW-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)cc1 ZINC000611012101 507482507 /nfs/dbraw/zinc/48/25/07/507482507.db2.gz GDJCIECRBVMZLN-OAHLLOKOSA-N 1 2 359.389 3.143 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000595402444 507482668 /nfs/dbraw/zinc/48/26/68/507482668.db2.gz ZALCJSJJTGISAT-UHFFFAOYSA-N 1 2 368.485 3.275 20 30 FGEDLO N#CC1(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCCC1 ZINC000595456626 507508009 /nfs/dbraw/zinc/50/80/09/507508009.db2.gz TYZHPFHCLCAVFZ-UHFFFAOYSA-N 1 2 355.486 3.345 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000598588667 507508690 /nfs/dbraw/zinc/50/86/90/507508690.db2.gz AQLFQXNWLSJWGN-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146452 507510870 /nfs/dbraw/zinc/51/08/70/507510870.db2.gz HTIOJSOULMXDLQ-MEDUHNTESA-N 1 2 366.343 3.167 20 30 FGEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146452 507510877 /nfs/dbraw/zinc/51/08/77/507510877.db2.gz HTIOJSOULMXDLQ-MEDUHNTESA-N 1 2 366.343 3.167 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000611090146 507513396 /nfs/dbraw/zinc/51/33/96/507513396.db2.gz BTQGPPDPXZMKMM-LJQANCHMSA-N 1 2 354.475 3.415 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000611090146 507513404 /nfs/dbraw/zinc/51/34/04/507513404.db2.gz BTQGPPDPXZMKMM-LJQANCHMSA-N 1 2 354.475 3.415 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595501897 507532850 /nfs/dbraw/zinc/53/28/50/507532850.db2.gz NQRIVXLEGPYBIC-UHFFFAOYSA-N 1 2 360.433 3.146 20 30 FGEDLO C=CCCCCCN(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000606943648 507562811 /nfs/dbraw/zinc/56/28/11/507562811.db2.gz OLQMSWMHUDJMLT-UHFFFAOYSA-N 1 2 372.513 3.284 20 30 FGEDLO Cn1nc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611253355 507582719 /nfs/dbraw/zinc/58/27/19/507582719.db2.gz RSMVJSAABPYDQS-UHFFFAOYSA-N 1 2 359.477 3.153 20 30 FGEDLO Cn1nc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611253355 507582728 /nfs/dbraw/zinc/58/27/28/507582728.db2.gz RSMVJSAABPYDQS-UHFFFAOYSA-N 1 2 359.477 3.153 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609195 507587907 /nfs/dbraw/zinc/58/79/07/507587907.db2.gz HUFCEUUJXYHPET-CYBMUJFWSA-N 1 2 363.483 3.051 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609195 507587914 /nfs/dbraw/zinc/58/79/14/507587914.db2.gz HUFCEUUJXYHPET-CYBMUJFWSA-N 1 2 363.483 3.051 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602154902 507609189 /nfs/dbraw/zinc/60/91/89/507609189.db2.gz MRSMFSCCPFYGKM-HUUCEWRRSA-N 1 2 350.344 3.320 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2n1C ZINC000602184005 507619867 /nfs/dbraw/zinc/61/98/67/507619867.db2.gz QRSBEYRZHRMDPJ-UHFFFAOYSA-N 1 2 373.460 3.470 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC)c1 ZINC000595682617 507626086 /nfs/dbraw/zinc/62/60/86/507626086.db2.gz CKWKHEPHYXLEKX-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cc(C5CC5)no4)CC3)n[nH]2)cc1 ZINC000595730316 507652279 /nfs/dbraw/zinc/65/22/79/507652279.db2.gz BJKKKZVWNVBNND-UHFFFAOYSA-N 1 2 374.448 3.136 20 30 FGEDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3cccc(C#N)c3)nc2c1 ZINC000611388096 507656572 /nfs/dbraw/zinc/65/65/72/507656572.db2.gz WRAVOBNOLBQIHC-ZDUSSCGKSA-N 1 2 369.446 3.344 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761387 507673189 /nfs/dbraw/zinc/67/31/89/507673189.db2.gz VNEOZNKIJQQLJF-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595761387 507673197 /nfs/dbraw/zinc/67/31/97/507673197.db2.gz VNEOZNKIJQQLJF-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000586875449 507701395 /nfs/dbraw/zinc/70/13/95/507701395.db2.gz XMPQBJAZSQVGNO-LJQANCHMSA-N 1 2 361.401 3.118 20 30 FGEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000587057110 507705550 /nfs/dbraw/zinc/70/55/50/507705550.db2.gz RRJMATCRZMIDLK-GOSISDBHSA-N 1 2 372.428 3.486 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968453 507710055 /nfs/dbraw/zinc/71/00/55/507710055.db2.gz UBXNQECGBPRHDV-MSOLQXFVSA-N 1 2 367.453 3.064 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968453 507710059 /nfs/dbraw/zinc/71/00/59/507710059.db2.gz UBXNQECGBPRHDV-MSOLQXFVSA-N 1 2 367.453 3.064 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CC1=CCSC1 ZINC000595889223 507729933 /nfs/dbraw/zinc/72/99/33/507729933.db2.gz SERWACSZUXWAAU-AWEZNQCLSA-N 1 2 361.536 3.482 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000595889223 507729938 /nfs/dbraw/zinc/72/99/38/507729938.db2.gz SERWACSZUXWAAU-AWEZNQCLSA-N 1 2 361.536 3.482 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826384045 608466670 /nfs/dbraw/zinc/46/66/70/608466670.db2.gz DIBIUSBRWFRTTB-UHFFFAOYSA-N 1 2 360.396 3.167 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826384045 608466672 /nfs/dbraw/zinc/46/66/72/608466672.db2.gz DIBIUSBRWFRTTB-UHFFFAOYSA-N 1 2 360.396 3.167 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2O)c1 ZINC000092143538 700432097 /nfs/dbraw/zinc/43/20/97/700432097.db2.gz XZWFGLIPJLQTRR-UHFFFAOYSA-N 1 2 373.250 3.207 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(Br)c2O)c1 ZINC000092143538 700432101 /nfs/dbraw/zinc/43/21/01/700432101.db2.gz XZWFGLIPJLQTRR-UHFFFAOYSA-N 1 2 373.250 3.207 20 30 FGEDLO C[C@H](N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1)C(F)(F)F ZINC000093883386 700455271 /nfs/dbraw/zinc/45/52/71/700455271.db2.gz GSTIDOHGKTVSCD-HNNXBMFYSA-N 1 2 354.420 3.105 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2cccc(F)c2F)ccc1OC(F)F ZINC000122715514 700694613 /nfs/dbraw/zinc/69/46/13/700694613.db2.gz KJQXUECVSYARNM-UHFFFAOYSA-N 1 2 358.291 3.412 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCCO1 ZINC000126174611 700744744 /nfs/dbraw/zinc/74/47/44/700744744.db2.gz CJTFWFCOWOPWCA-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCCO1 ZINC000126174611 700744745 /nfs/dbraw/zinc/74/47/45/700744745.db2.gz CJTFWFCOWOPWCA-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2ccc(F)cc2F)ccc1OC(F)F ZINC000131390124 700814315 /nfs/dbraw/zinc/81/43/15/700814315.db2.gz CYIHTKLJJGAZSE-UHFFFAOYSA-N 1 2 358.291 3.412 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](C)CCc1nccs1 ZINC000157735165 705162364 /nfs/dbraw/zinc/16/23/64/705162364.db2.gz SWTRFEQRWSVKOG-QGOAFFKASA-N 1 2 355.507 3.498 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)CCc1nccs1 ZINC000157735165 705162370 /nfs/dbraw/zinc/16/23/70/705162370.db2.gz SWTRFEQRWSVKOG-QGOAFFKASA-N 1 2 355.507 3.498 20 30 FGEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000194616779 713528333 /nfs/dbraw/zinc/52/83/33/713528333.db2.gz NIIPVCOIZOAATK-UHFFFAOYSA-N 1 2 359.813 3.013 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CCC1 ZINC000526135081 714408937 /nfs/dbraw/zinc/40/89/37/714408937.db2.gz OPGAJSRHCBQEMJ-OAHLLOKOSA-N 1 2 362.271 3.148 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CCC1 ZINC000526135081 714408940 /nfs/dbraw/zinc/40/89/40/714408940.db2.gz OPGAJSRHCBQEMJ-OAHLLOKOSA-N 1 2 362.271 3.148 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1OC ZINC000628140667 716114560 /nfs/dbraw/zinc/11/45/60/716114560.db2.gz TWYNJTGPHHLWEQ-MRXNPFEDSA-N 1 2 364.873 3.156 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1OC ZINC000628140667 716114562 /nfs/dbraw/zinc/11/45/62/716114562.db2.gz TWYNJTGPHHLWEQ-MRXNPFEDSA-N 1 2 364.873 3.156 20 30 FGEDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000648073940 718398099 /nfs/dbraw/zinc/39/80/99/718398099.db2.gz ZZHYYNGOXQEYNE-ZDUSSCGKSA-N 1 2 372.284 3.345 20 30 FGEDLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000648073940 718398102 /nfs/dbraw/zinc/39/81/02/718398102.db2.gz ZZHYYNGOXQEYNE-ZDUSSCGKSA-N 1 2 372.284 3.345 20 30 FGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420922 724514893 /nfs/dbraw/zinc/51/48/93/724514893.db2.gz PRWCFYKVCHXOCJ-WBAXXEDZSA-N 1 2 366.864 3.159 20 30 FGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420922 724514898 /nfs/dbraw/zinc/51/48/98/724514898.db2.gz PRWCFYKVCHXOCJ-WBAXXEDZSA-N 1 2 366.864 3.159 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)nn1 ZINC000653722078 719081606 /nfs/dbraw/zinc/08/16/06/719081606.db2.gz BKIPXZLXPHQTKU-MRXNPFEDSA-N 1 2 354.376 3.086 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783707878 724780075 /nfs/dbraw/zinc/78/00/75/724780075.db2.gz TZGZAWKCAYBUQX-AATRIKPKSA-N 1 2 373.459 3.201 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C3/CCc4c(cnn4C)C3=O)c[nH+]c12 ZINC000783707569 724780132 /nfs/dbraw/zinc/78/01/32/724780132.db2.gz WGDJCXLLLUOUIL-WDZFZDKYSA-N 1 2 371.238 3.351 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784011403 724812363 /nfs/dbraw/zinc/81/23/63/724812363.db2.gz AJIWTEYPZVYQTB-HNNXBMFYSA-N 1 2 356.499 3.303 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784011403 724812368 /nfs/dbraw/zinc/81/23/68/724812368.db2.gz AJIWTEYPZVYQTB-HNNXBMFYSA-N 1 2 356.499 3.303 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000679266726 722018114 /nfs/dbraw/zinc/01/81/14/722018114.db2.gz RVYNBISXPWTFIQ-GFCCVEGCSA-N 1 2 372.296 3.335 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000679266726 722018118 /nfs/dbraw/zinc/01/81/18/722018118.db2.gz RVYNBISXPWTFIQ-GFCCVEGCSA-N 1 2 372.296 3.335 20 30 FGEDLO NC(=[NH+]OCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000727486050 722444968 /nfs/dbraw/zinc/44/49/68/722444968.db2.gz ARPORMXTSGQEFB-UHFFFAOYSA-N 1 2 355.291 3.120 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000743689816 722570499 /nfs/dbraw/zinc/57/04/99/722570499.db2.gz AKZWPYUCEHJYIV-INIZCTEOSA-N 1 2 351.853 3.156 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000743689816 722570500 /nfs/dbraw/zinc/57/05/00/722570500.db2.gz AKZWPYUCEHJYIV-INIZCTEOSA-N 1 2 351.853 3.156 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745088995 722583441 /nfs/dbraw/zinc/58/34/41/722583441.db2.gz ZJXHPUUVIZYARW-MRXNPFEDSA-N 1 2 362.495 3.321 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745088995 722583442 /nfs/dbraw/zinc/58/34/42/722583442.db2.gz ZJXHPUUVIZYARW-MRXNPFEDSA-N 1 2 362.495 3.321 20 30 FGEDLO N#Cc1cccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000748541134 722695353 /nfs/dbraw/zinc/69/53/53/722695353.db2.gz PUFHQINLWONIAL-UHFFFAOYSA-N 1 2 352.781 3.415 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000752288490 722852700 /nfs/dbraw/zinc/85/27/00/722852700.db2.gz ZQKOXHYJZWHKRJ-SFHVURJKSA-N 1 2 360.527 3.126 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903729 722947741 /nfs/dbraw/zinc/94/77/41/722947741.db2.gz VFZFPLQKFMWTOJ-QZTJIDSGSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903729 722947742 /nfs/dbraw/zinc/94/77/42/722947742.db2.gz VFZFPLQKFMWTOJ-QZTJIDSGSA-N 1 2 357.816 3.031 20 30 FGEDLO C=CCn1nnn(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1=S ZINC000764129573 723393413 /nfs/dbraw/zinc/39/34/13/723393413.db2.gz AOIGNZGTKXEHNI-UHFFFAOYSA-N 1 2 351.426 3.290 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1=S ZINC000794633822 723537092 /nfs/dbraw/zinc/53/70/92/723537092.db2.gz NZROKHSEOBLKEC-QGZVFWFLSA-N 1 2 355.511 3.462 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H]2CCCc2ccccc2)c1=S ZINC000794633822 723537095 /nfs/dbraw/zinc/53/70/95/723537095.db2.gz NZROKHSEOBLKEC-QGZVFWFLSA-N 1 2 355.511 3.462 20 30 FGEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1=S ZINC000767499294 723621297 /nfs/dbraw/zinc/62/12/97/723621297.db2.gz IGQABDNOCZHWAS-ZDUSSCGKSA-N 1 2 369.416 3.461 20 30 FGEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1=S ZINC000767499294 723621298 /nfs/dbraw/zinc/62/12/98/723621298.db2.gz IGQABDNOCZHWAS-ZDUSSCGKSA-N 1 2 369.416 3.461 20 30 FGEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796554454 723643404 /nfs/dbraw/zinc/64/34/04/723643404.db2.gz OWQVGGSSBPWTAQ-INIZCTEOSA-N 1 2 365.861 3.295 20 30 FGEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796554454 723643405 /nfs/dbraw/zinc/64/34/05/723643405.db2.gz OWQVGGSSBPWTAQ-INIZCTEOSA-N 1 2 365.861 3.295 20 30 FGEDLO CCCCCCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000799766553 724093101 /nfs/dbraw/zinc/09/31/01/724093101.db2.gz MKWSQBWCBCNGMO-UHFFFAOYSA-N 1 2 353.463 3.401 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000801968562 724352139 /nfs/dbraw/zinc/35/21/39/724352139.db2.gz VHVCVVORPNKYEW-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000801968562 724352144 /nfs/dbraw/zinc/35/21/44/724352144.db2.gz VHVCVVORPNKYEW-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO C=CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787535021 725031067 /nfs/dbraw/zinc/03/10/67/725031067.db2.gz DUYDMQWENXCDAX-UHFFFAOYSA-N 1 2 352.276 3.106 20 30 FGEDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405075 725306526 /nfs/dbraw/zinc/30/65/26/725306526.db2.gz MZFYXKYJESKFNN-NEPJUHHUSA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405075 725306529 /nfs/dbraw/zinc/30/65/29/725306529.db2.gz MZFYXKYJESKFNN-NEPJUHHUSA-N 1 2 372.284 3.296 20 30 FGEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811463883 725367326 /nfs/dbraw/zinc/36/73/26/725367326.db2.gz JVKCFIODDILSMJ-QWHCGFSZSA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811463883 725367327 /nfs/dbraw/zinc/36/73/27/725367327.db2.gz JVKCFIODDILSMJ-QWHCGFSZSA-N 1 2 350.488 3.140 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038153 725387846 /nfs/dbraw/zinc/38/78/46/725387846.db2.gz HRQQVRKVWOWMKJ-XJKSGUPXSA-N 1 2 351.853 3.107 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038153 725387847 /nfs/dbraw/zinc/38/78/47/725387847.db2.gz HRQQVRKVWOWMKJ-XJKSGUPXSA-N 1 2 351.853 3.107 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000820737702 729023149 /nfs/dbraw/zinc/02/31/49/729023149.db2.gz JHWDPGMNPMPYLJ-YOEHRIQHSA-N 1 2 360.820 3.397 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821798267 729117778 /nfs/dbraw/zinc/11/77/78/729117778.db2.gz YHVKARXTOMOGAH-BXUZGUMPSA-N 1 2 352.316 3.306 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829785235 729511521 /nfs/dbraw/zinc/51/15/21/729511521.db2.gz SHQYCCIWIISGOQ-OAHLLOKOSA-N 1 2 374.531 3.449 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829785235 729511524 /nfs/dbraw/zinc/51/15/24/729511524.db2.gz SHQYCCIWIISGOQ-OAHLLOKOSA-N 1 2 374.531 3.449 20 30 FGEDLO C#Cc1cccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000830713430 729586684 /nfs/dbraw/zinc/58/66/84/729586684.db2.gz BDJBOBAUXBAZRP-UHFFFAOYSA-N 1 2 353.897 3.363 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425578 730619374 /nfs/dbraw/zinc/61/93/74/730619374.db2.gz QFVMWUOWICISQZ-IBGZPJMESA-N 1 2 358.873 3.500 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425578 730619376 /nfs/dbraw/zinc/61/93/76/730619376.db2.gz QFVMWUOWICISQZ-IBGZPJMESA-N 1 2 358.873 3.500 20 30 FGEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845442564 730850311 /nfs/dbraw/zinc/85/03/11/730850311.db2.gz MREKNXAADJMQSN-PWSUYJOCSA-N 1 2 365.220 3.489 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000847022530 731007863 /nfs/dbraw/zinc/00/78/63/731007863.db2.gz IADKNGXCMQPYBO-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000847022530 731007869 /nfs/dbraw/zinc/00/78/69/731007869.db2.gz IADKNGXCMQPYBO-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO C#CCOCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000853011323 731649476 /nfs/dbraw/zinc/64/94/76/731649476.db2.gz FUDAFZUOYFFHJR-ZDUSSCGKSA-N 1 2 364.902 3.285 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524564 731717466 /nfs/dbraw/zinc/71/74/66/731717466.db2.gz NQPFQSVRNSXSIS-TZMCWYRMSA-N 1 2 351.372 3.003 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524564 731717487 /nfs/dbraw/zinc/71/74/87/731717487.db2.gz NQPFQSVRNSXSIS-TZMCWYRMSA-N 1 2 351.372 3.003 20 30 FGEDLO COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CC[NH2+]2)c1 ZINC000870152153 733817023 /nfs/dbraw/zinc/81/70/23/733817023.db2.gz LTBKDQCGFAZTSA-GOSISDBHSA-N 1 2 355.825 3.007 20 30 FGEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2nc(Cl)c(C#N)s2)c1C ZINC000888409634 739518128 /nfs/dbraw/zinc/51/81/28/739518128.db2.gz KMKWABVLMXCXDN-UHFFFAOYSA-N 1 2 351.819 3.010 20 30 FGEDLO C#C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccc(Br)cc1 ZINC000897871937 742722604 /nfs/dbraw/zinc/72/26/04/742722604.db2.gz HJAXVQZCEVJBJC-HNNXBMFYSA-N 1 2 360.255 3.180 20 30 FGEDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C#N)ccn1 ZINC000902978924 743795442 /nfs/dbraw/zinc/79/54/42/743795442.db2.gz LVYJDBFWMDCBLC-IAQYHMDHSA-N 1 2 351.328 3.236 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000921581862 758749920 /nfs/dbraw/zinc/74/99/20/758749920.db2.gz QAWLQPCLFNBOFJ-INIZCTEOSA-N 1 2 357.483 3.049 20 30 FGEDLO FC(F)C(F)(F)CN1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929651362 760426793 /nfs/dbraw/zinc/42/67/93/760426793.db2.gz WGOQVHIKYMFVKY-MNOVXSKESA-N 1 2 366.321 3.004 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920534 761008200 /nfs/dbraw/zinc/00/82/00/761008200.db2.gz YHCYRQAVEIWNMV-FZMZJTMJSA-N 1 2 373.375 3.091 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920534 761008210 /nfs/dbraw/zinc/00/82/10/761008210.db2.gz YHCYRQAVEIWNMV-FZMZJTMJSA-N 1 2 373.375 3.091 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932193637 761079308 /nfs/dbraw/zinc/07/93/08/761079308.db2.gz JGTJOGIHISPHEC-CYBMUJFWSA-N 1 2 372.519 3.383 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932193637 761079321 /nfs/dbraw/zinc/07/93/21/761079321.db2.gz JGTJOGIHISPHEC-CYBMUJFWSA-N 1 2 372.519 3.383 20 30 FGEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)nn1 ZINC000932623280 761204416 /nfs/dbraw/zinc/20/44/16/761204416.db2.gz VCAJLNBWOUXXRA-UHFFFAOYSA-N 1 2 357.527 3.254 20 30 FGEDLO CS(=O)(=O)c1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933606263 761438919 /nfs/dbraw/zinc/43/89/19/761438919.db2.gz GSUDPQOYFSVZTM-UHFFFAOYSA-N 1 2 354.475 3.341 20 30 FGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001002862667 765350132 /nfs/dbraw/zinc/35/01/32/765350132.db2.gz OTOFPTNMPJUTEC-IJEWVQPXSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001008837837 765709614 /nfs/dbraw/zinc/70/96/14/765709614.db2.gz CVTSUIQWDWUIBR-QRTARXTBSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001008837837 765709619 /nfs/dbraw/zinc/70/96/19/765709619.db2.gz CVTSUIQWDWUIBR-QRTARXTBSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001015950452 765811685 /nfs/dbraw/zinc/81/16/85/765811685.db2.gz CHFKQVOUNILAKZ-RWMBFGLXSA-N 1 2 358.791 3.150 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001015950452 765811697 /nfs/dbraw/zinc/81/16/97/765811697.db2.gz CHFKQVOUNILAKZ-RWMBFGLXSA-N 1 2 358.791 3.150 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001027499197 766096613 /nfs/dbraw/zinc/09/66/13/766096613.db2.gz YJTKLUNDXKNHOH-JYJNAYRXSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001027499197 766096620 /nfs/dbraw/zinc/09/66/20/766096620.db2.gz YJTKLUNDXKNHOH-JYJNAYRXSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033961780 766229888 /nfs/dbraw/zinc/22/98/88/766229888.db2.gz NSYMOSOVMATMJV-RRFJBIMHSA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033961780 766229891 /nfs/dbraw/zinc/22/98/91/766229891.db2.gz NSYMOSOVMATMJV-RRFJBIMHSA-N 1 2 367.287 3.215 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@H]2CCc3c2cccc3Cl)C1 ZINC001043922626 766484066 /nfs/dbraw/zinc/48/40/66/766484066.db2.gz FUWGKZMPHCMPCX-NEWSRXKRSA-N 1 2 360.885 3.061 20 30 FGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001045585149 766555879 /nfs/dbraw/zinc/55/58/79/766555879.db2.gz OADXMJWCKUOMRY-LSDHHAIUSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046976699 766614938 /nfs/dbraw/zinc/61/49/38/766614938.db2.gz HUHILDLJLAWNRW-BFHYXJOUSA-N 1 2 358.816 3.209 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046976699 766614944 /nfs/dbraw/zinc/61/49/44/766614944.db2.gz HUHILDLJLAWNRW-BFHYXJOUSA-N 1 2 358.816 3.209 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000007902167 257332807 /nfs/dbraw/zinc/33/28/07/257332807.db2.gz AVYYVLRBZITJFW-UHFFFAOYSA-N 1 2 351.378 3.292 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000007902167 257332808 /nfs/dbraw/zinc/33/28/08/257332808.db2.gz AVYYVLRBZITJFW-UHFFFAOYSA-N 1 2 351.378 3.292 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1cccc(F)c1 ZINC000024016621 257335003 /nfs/dbraw/zinc/33/50/03/257335003.db2.gz BYYZZNAQZHGCMP-XTXLJPNXSA-N 1 2 360.392 3.350 20 30 FGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])nc1C ZINC000567987619 505590361 /nfs/dbraw/zinc/59/03/61/505590361.db2.gz HGBNELHXXOSQEU-LLVKDONJSA-N 1 2 374.422 3.259 20 30 FGEDLO CCOc1ccc(-c2nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000580081565 505673803 /nfs/dbraw/zinc/67/38/03/505673803.db2.gz UZLCNQLIAQBVTN-IBGZPJMESA-N 1 2 372.494 3.091 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000057522505 493771196 /nfs/dbraw/zinc/77/11/96/493771196.db2.gz KHPLFLJQDQYMIL-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000028176063 493778008 /nfs/dbraw/zinc/77/80/08/493778008.db2.gz CANAACAQADOPGU-OAHLLOKOSA-N 1 2 369.490 3.450 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000028176063 493778014 /nfs/dbraw/zinc/77/80/14/493778014.db2.gz CANAACAQADOPGU-OAHLLOKOSA-N 1 2 369.490 3.450 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000080915363 493789406 /nfs/dbraw/zinc/78/94/06/493789406.db2.gz MLTYXRMWMNGRPG-LSDHHAIUSA-N 1 2 362.355 3.079 20 30 FGEDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(O)c1 ZINC000048368236 493821317 /nfs/dbraw/zinc/82/13/17/493821317.db2.gz SJHWVWPBNDEURS-UHFFFAOYSA-N 1 2 363.461 3.345 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)CNc3ccc(C#N)cc3)n2)CC1 ZINC000050027196 493891808 /nfs/dbraw/zinc/89/18/08/493891808.db2.gz OVMBEGMITOAFBZ-UHFFFAOYSA-N 1 2 369.494 3.297 20 30 FGEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)n1C ZINC000069169541 493932315 /nfs/dbraw/zinc/93/23/15/493932315.db2.gz XYORRYMNMCIZLT-NRFANRHFSA-N 1 2 374.492 3.353 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000060942786 493959572 /nfs/dbraw/zinc/95/95/72/493959572.db2.gz INXFYSCPJKULEO-UHFFFAOYSA-N 1 2 374.506 3.412 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000060942786 493959573 /nfs/dbraw/zinc/95/95/73/493959573.db2.gz INXFYSCPJKULEO-UHFFFAOYSA-N 1 2 374.506 3.412 20 30 FGEDLO N#Cc1c(Cl)nsc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000051995389 493996880 /nfs/dbraw/zinc/99/68/80/493996880.db2.gz VLJOQMCMANTPRM-UHFFFAOYSA-N 1 2 365.865 3.041 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000083188288 494005799 /nfs/dbraw/zinc/00/57/99/494005799.db2.gz FKLHZZRLIOBHGH-LJQANCHMSA-N 1 2 356.397 3.312 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000083188288 494005806 /nfs/dbraw/zinc/00/58/06/494005806.db2.gz FKLHZZRLIOBHGH-LJQANCHMSA-N 1 2 356.397 3.312 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C ZINC000007914359 494051236 /nfs/dbraw/zinc/05/12/36/494051236.db2.gz CWZGTLVJZNWLBK-UHFFFAOYSA-N 1 2 364.449 3.156 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C ZINC000007914359 494051243 /nfs/dbraw/zinc/05/12/43/494051243.db2.gz CWZGTLVJZNWLBK-UHFFFAOYSA-N 1 2 364.449 3.156 20 30 FGEDLO COc1ccc([C@H](CNc2ccc(C#N)cc2F)[NH+]2CCOCC2)cc1 ZINC000063507972 494061465 /nfs/dbraw/zinc/06/14/65/494061465.db2.gz GFXKMXGLWMHNIW-FQEVSTJZSA-N 1 2 355.413 3.191 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754256 494083632 /nfs/dbraw/zinc/08/36/32/494083632.db2.gz YXLYSGXNWBQOBS-GOSISDBHSA-N 1 2 365.477 3.226 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754256 494083637 /nfs/dbraw/zinc/08/36/37/494083637.db2.gz YXLYSGXNWBQOBS-GOSISDBHSA-N 1 2 365.477 3.226 20 30 FGEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000084926080 494106388 /nfs/dbraw/zinc/10/63/88/494106388.db2.gz SMRXHAUYGNQYMY-LJQANCHMSA-N 1 2 351.450 3.360 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000065423532 494195166 /nfs/dbraw/zinc/19/51/66/494195166.db2.gz YGUIHLFGKNKMBK-ZWKOTPCHSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000065423532 494195168 /nfs/dbraw/zinc/19/51/68/494195168.db2.gz YGUIHLFGKNKMBK-ZWKOTPCHSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)on1 ZINC000077907062 494199203 /nfs/dbraw/zinc/19/92/03/494199203.db2.gz NSVDFXXDHKNWGZ-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000054424045 494234123 /nfs/dbraw/zinc/23/41/23/494234123.db2.gz KQHRBINOALUWKA-RMKNXTFCSA-N 1 2 374.488 3.218 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000078299926 494273659 /nfs/dbraw/zinc/27/36/59/494273659.db2.gz BMJYSLBUAOMEDT-UTKZUKDTSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000078299926 494273661 /nfs/dbraw/zinc/27/36/61/494273661.db2.gz BMJYSLBUAOMEDT-UTKZUKDTSA-N 1 2 372.513 3.089 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000043236587 494277633 /nfs/dbraw/zinc/27/76/33/494277633.db2.gz WJYKGXAUCNBVCH-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@H](C)C#N ZINC000066424097 494331683 /nfs/dbraw/zinc/33/16/83/494331683.db2.gz PTFNAYUMKJFTNE-MRXNPFEDSA-N 1 2 350.466 3.265 20 30 FGEDLO CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@H](C)C#N ZINC000066424097 494331687 /nfs/dbraw/zinc/33/16/87/494331687.db2.gz PTFNAYUMKJFTNE-MRXNPFEDSA-N 1 2 350.466 3.265 20 30 FGEDLO COCC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccc(C#N)cc1 ZINC000089890362 494393628 /nfs/dbraw/zinc/39/36/28/494393628.db2.gz KALGNZUJZNHTGD-UHFFFAOYSA-N 1 2 366.421 3.467 20 30 FGEDLO COCC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)Cc1ccc(C#N)cc1 ZINC000089890362 494393629 /nfs/dbraw/zinc/39/36/29/494393629.db2.gz KALGNZUJZNHTGD-UHFFFAOYSA-N 1 2 366.421 3.467 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000018175757 494428127 /nfs/dbraw/zinc/42/81/27/494428127.db2.gz ZUELWFGGQLRNPH-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000046048132 494490305 /nfs/dbraw/zinc/49/03/05/494490305.db2.gz TYGOPJNYFCSVLT-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079619815 494494995 /nfs/dbraw/zinc/49/49/95/494494995.db2.gz MUXMFUJTEZIZPL-UHFFFAOYSA-N 1 2 356.445 3.299 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225924 494506223 /nfs/dbraw/zinc/50/62/23/494506223.db2.gz UGYQMWMQWLACCW-BBRMVZONSA-N 1 2 366.868 3.417 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046528983 494535820 /nfs/dbraw/zinc/53/58/20/494535820.db2.gz MZQPUKHGCNOUCO-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046528983 494535824 /nfs/dbraw/zinc/53/58/24/494535824.db2.gz MZQPUKHGCNOUCO-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCCO2 ZINC000023829438 494586108 /nfs/dbraw/zinc/58/61/08/494586108.db2.gz NUTQUTWDLDUUHQ-UHFFFAOYSA-N 1 2 371.824 3.053 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCCO2 ZINC000023829438 494586113 /nfs/dbraw/zinc/58/61/13/494586113.db2.gz NUTQUTWDLDUUHQ-UHFFFAOYSA-N 1 2 371.824 3.053 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000080102239 494596134 /nfs/dbraw/zinc/59/61/34/494596134.db2.gz GLSLYCOLHYSMHD-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000080102239 494596142 /nfs/dbraw/zinc/59/61/42/494596142.db2.gz GLSLYCOLHYSMHD-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCC2CC2)Cc2cccc(F)c2)cc1 ZINC000115697880 494597571 /nfs/dbraw/zinc/59/75/71/494597571.db2.gz QVPRZUMCPQQSAC-UHFFFAOYSA-N 1 2 351.425 3.226 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)NCC2CC2)Cc2cccc(F)c2)cc1 ZINC000115697880 494597576 /nfs/dbraw/zinc/59/75/76/494597576.db2.gz QVPRZUMCPQQSAC-UHFFFAOYSA-N 1 2 351.425 3.226 20 30 FGEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000131442647 494620984 /nfs/dbraw/zinc/62/09/84/494620984.db2.gz JGPLJDRVJGKINV-MRXNPFEDSA-N 1 2 370.280 3.129 20 30 FGEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000131442647 494620990 /nfs/dbraw/zinc/62/09/90/494620990.db2.gz JGPLJDRVJGKINV-MRXNPFEDSA-N 1 2 370.280 3.129 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000126153852 494653987 /nfs/dbraw/zinc/65/39/87/494653987.db2.gz RQDLMXZDLQNSIK-UHFFFAOYSA-N 1 2 363.461 3.270 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092615336 494687006 /nfs/dbraw/zinc/68/70/06/494687006.db2.gz OWWSDFZQBICSEO-ZDUSSCGKSA-N 1 2 369.450 3.142 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000092704486 494717190 /nfs/dbraw/zinc/71/71/90/494717190.db2.gz ZUZFKKNZZTTXSS-UHFFFAOYSA-N 1 2 359.458 3.362 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000091980560 494742867 /nfs/dbraw/zinc/74/28/67/494742867.db2.gz ABWQEFKKBYHBJJ-INIZCTEOSA-N 1 2 366.440 3.015 20 30 FGEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000121420489 494747182 /nfs/dbraw/zinc/74/71/82/494747182.db2.gz JCAPQMPMYBFLMV-WBVHZDCISA-N 1 2 353.422 3.010 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000026117129 494801721 /nfs/dbraw/zinc/80/17/21/494801721.db2.gz RQLUCEJFVLRPPP-SFHVURJKSA-N 1 2 355.463 3.004 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000026320517 494816990 /nfs/dbraw/zinc/81/69/90/494816990.db2.gz KYKRKIQJEZFSGQ-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000026320517 494816997 /nfs/dbraw/zinc/81/69/97/494816997.db2.gz KYKRKIQJEZFSGQ-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO COC(=O)CC[N@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1F ZINC000093608525 494902855 /nfs/dbraw/zinc/90/28/55/494902855.db2.gz NKMHOKTWUBJOTH-UHFFFAOYSA-N 1 2 350.390 3.463 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1F ZINC000093608525 494902860 /nfs/dbraw/zinc/90/28/60/494902860.db2.gz NKMHOKTWUBJOTH-UHFFFAOYSA-N 1 2 350.390 3.463 20 30 FGEDLO CCc1nnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c(C#N)c1CC ZINC000122001586 494907719 /nfs/dbraw/zinc/90/77/19/494907719.db2.gz XVVAWMFABCMMQL-UHFFFAOYSA-N 1 2 351.454 3.178 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cc(C)no3)CC2)ccc1OC ZINC000122409153 494970582 /nfs/dbraw/zinc/97/05/82/494970582.db2.gz BPLJFHASZJDWIL-UHFFFAOYSA-N 1 2 371.481 3.264 20 30 FGEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3cc(C)no3)CC2)ccc1OC ZINC000122409153 494970586 /nfs/dbraw/zinc/97/05/86/494970586.db2.gz BPLJFHASZJDWIL-UHFFFAOYSA-N 1 2 371.481 3.264 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC([C@@H](C)O)CC2)c1C#N ZINC000111284649 495058708 /nfs/dbraw/zinc/05/87/08/495058708.db2.gz SQYIKQBFSOWLAW-MRXNPFEDSA-N 1 2 372.513 3.123 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000133827721 495066514 /nfs/dbraw/zinc/06/65/14/495066514.db2.gz QIUJBZUFZNFJIK-IBGZPJMESA-N 1 2 368.502 3.495 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000133827721 495066517 /nfs/dbraw/zinc/06/65/17/495066517.db2.gz QIUJBZUFZNFJIK-IBGZPJMESA-N 1 2 368.502 3.495 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128752918 495146090 /nfs/dbraw/zinc/14/60/90/495146090.db2.gz QHTZMNTXYDPMHP-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102845009 495166361 /nfs/dbraw/zinc/16/63/61/495166361.db2.gz DRKGEYUEVWIHEW-QGZVFWFLSA-N 1 2 354.841 3.337 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102845009 495166363 /nfs/dbraw/zinc/16/63/63/495166363.db2.gz DRKGEYUEVWIHEW-QGZVFWFLSA-N 1 2 354.841 3.337 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1C#N ZINC000134978245 495233844 /nfs/dbraw/zinc/23/38/44/495233844.db2.gz CFHLGPBIWCSLAC-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N(C)CCCC)CC2)c1C ZINC000103469215 495236594 /nfs/dbraw/zinc/23/65/94/495236594.db2.gz VWNDCSCRASQITP-UHFFFAOYSA-N 1 2 373.541 3.444 20 30 FGEDLO COc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104715322 495300356 /nfs/dbraw/zinc/30/03/56/495300356.db2.gz WVUVKNQGVVCXLI-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000114233276 495355484 /nfs/dbraw/zinc/35/54/84/495355484.db2.gz ZTOSNAQCURUAKS-UHFFFAOYSA-N 1 2 374.444 3.341 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000124934449 495366374 /nfs/dbraw/zinc/36/63/74/495366374.db2.gz GUQSWLXGVHMGMW-UHFFFAOYSA-N 1 2 371.824 3.491 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114724524 495416041 /nfs/dbraw/zinc/41/60/41/495416041.db2.gz DVHDAFBTHSZALL-SFHVURJKSA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114724524 495416044 /nfs/dbraw/zinc/41/60/44/495416044.db2.gz DVHDAFBTHSZALL-SFHVURJKSA-N 1 2 365.433 3.351 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)C(C)(C)Oc3ccc(C#N)cc3)[nH+]c12 ZINC000120654663 495428139 /nfs/dbraw/zinc/42/81/39/495428139.db2.gz DUHSBQHYSZXASZ-UHFFFAOYSA-N 1 2 362.433 3.031 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000137251736 495432839 /nfs/dbraw/zinc/43/28/39/495432839.db2.gz VGAVHCFLPQZNEI-CQSZACIVSA-N 1 2 356.495 3.459 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000137251736 495432844 /nfs/dbraw/zinc/43/28/44/495432844.db2.gz VGAVHCFLPQZNEI-CQSZACIVSA-N 1 2 356.495 3.459 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130911075 495465856 /nfs/dbraw/zinc/46/58/56/495465856.db2.gz KPUMXWUFXWTJQL-YOEHRIQHSA-N 1 2 356.401 3.149 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000571665967 505786220 /nfs/dbraw/zinc/78/62/20/505786220.db2.gz LQTAKFBKZRVZLE-BBRMVZONSA-N 1 2 369.490 3.017 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000176210843 495548484 /nfs/dbraw/zinc/54/84/84/495548484.db2.gz QEUNCINTOSOVKG-INIZCTEOSA-N 1 2 367.474 3.287 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000176210843 495548490 /nfs/dbraw/zinc/54/84/90/495548490.db2.gz QEUNCINTOSOVKG-INIZCTEOSA-N 1 2 367.474 3.287 20 30 FGEDLO CCn1c(NC(=O)Cn2c(C)[nH+]c3ccccc32)nc2cc(C#N)ccc21 ZINC000179535633 495631538 /nfs/dbraw/zinc/63/15/38/495631538.db2.gz MIISFPPYPCAAIN-UHFFFAOYSA-N 1 2 358.405 3.225 20 30 FGEDLO CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000170928902 495656110 /nfs/dbraw/zinc/65/61/10/495656110.db2.gz UGYNBEDYPYTVDL-CQSZACIVSA-N 1 2 356.495 3.229 20 30 FGEDLO CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000170928902 495656114 /nfs/dbraw/zinc/65/61/14/495656114.db2.gz UGYNBEDYPYTVDL-CQSZACIVSA-N 1 2 356.495 3.229 20 30 FGEDLO CC(C)n1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000179743301 495714311 /nfs/dbraw/zinc/71/43/11/495714311.db2.gz VGCPHTKJDZXHTB-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(OC)cc1 ZINC000159464236 495738068 /nfs/dbraw/zinc/73/80/68/495738068.db2.gz OFTOKNJMEVSYAP-UHFFFAOYSA-N 1 2 370.497 3.353 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(OC)cc1 ZINC000159464236 495738074 /nfs/dbraw/zinc/73/80/74/495738074.db2.gz OFTOKNJMEVSYAP-UHFFFAOYSA-N 1 2 370.497 3.353 20 30 FGEDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000179868763 495765066 /nfs/dbraw/zinc/76/50/66/495765066.db2.gz LWDFPMYWNZDFKE-UHFFFAOYSA-N 1 2 366.252 3.059 20 30 FGEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000179868763 495765069 /nfs/dbraw/zinc/76/50/69/495765069.db2.gz LWDFPMYWNZDFKE-UHFFFAOYSA-N 1 2 366.252 3.059 20 30 FGEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c(C)o1 ZINC000159640491 495775532 /nfs/dbraw/zinc/77/55/32/495775532.db2.gz ZXNAQWFXVUHKGL-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000155009915 495802765 /nfs/dbraw/zinc/80/27/65/495802765.db2.gz IEVQPAHEXBHJLW-QGZVFWFLSA-N 1 2 352.438 3.283 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000155009915 495802770 /nfs/dbraw/zinc/80/27/70/495802770.db2.gz IEVQPAHEXBHJLW-QGZVFWFLSA-N 1 2 352.438 3.283 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174325403 495911303 /nfs/dbraw/zinc/91/13/03/495911303.db2.gz KWZUTRWSIQFTJR-CABCVRRESA-N 1 2 372.469 3.209 20 30 FGEDLO Cc1cc(N2CCN(Cc3ccc(F)c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000160595826 495999282 /nfs/dbraw/zinc/99/92/82/495999282.db2.gz IOOUUQWCEWXVCA-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C=CCC[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000186477772 496012916 /nfs/dbraw/zinc/01/29/16/496012916.db2.gz BPWWOGMGLNDAKQ-HXUWFJFHSA-N 1 2 365.477 3.284 20 30 FGEDLO C[C@@]([NH2+]Cc1ccc(C#N)cc1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177380832 496039570 /nfs/dbraw/zinc/03/95/70/496039570.db2.gz GDBMBKIBMYWHNB-KRWDZBQOSA-N 1 2 365.330 3.206 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000171949746 496106920 /nfs/dbraw/zinc/10/69/20/496106920.db2.gz FYIAFKCFONHSGL-UHFFFAOYSA-N 1 2 356.389 3.041 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186710319 496116805 /nfs/dbraw/zinc/11/68/05/496116805.db2.gz VHMCANCOQHZEOK-HXUWFJFHSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186710319 496116811 /nfs/dbraw/zinc/11/68/11/496116811.db2.gz VHMCANCOQHZEOK-HXUWFJFHSA-N 1 2 367.836 3.282 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC3(C2)CCOC3)cc1OC ZINC000580730709 505824911 /nfs/dbraw/zinc/82/49/11/505824911.db2.gz ILAWMMTWSHNLRH-UHFFFAOYSA-N 1 2 368.271 3.245 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180795013 496149098 /nfs/dbraw/zinc/14/90/98/496149098.db2.gz REJVVZBNVJBPKS-UHFFFAOYSA-N 1 2 355.341 3.019 20 30 FGEDLO N#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1F ZINC000161381619 496165041 /nfs/dbraw/zinc/16/50/41/496165041.db2.gz XVELTYFNFFYQTR-OALUTQOASA-N 1 2 369.465 3.297 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000172167200 496192654 /nfs/dbraw/zinc/19/26/54/496192654.db2.gz YQGZQQHLLNZVAI-UHFFFAOYSA-N 1 2 355.360 3.276 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000184005570 496197720 /nfs/dbraw/zinc/19/77/20/496197720.db2.gz GQCAAOJYADGNOI-JOCHJYFZSA-N 1 2 358.445 3.166 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186959383 496229616 /nfs/dbraw/zinc/22/96/16/496229616.db2.gz XPXZJESKUHLBCF-HNNXBMFYSA-N 1 2 361.511 3.114 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000175088207 496242273 /nfs/dbraw/zinc/24/22/73/496242273.db2.gz AOOYOGFVYSTYDI-HNNXBMFYSA-N 1 2 356.495 3.434 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000175088207 496242276 /nfs/dbraw/zinc/24/22/76/496242276.db2.gz AOOYOGFVYSTYDI-HNNXBMFYSA-N 1 2 356.495 3.434 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187038324 496264434 /nfs/dbraw/zinc/26/44/34/496264434.db2.gz QYTVMCHRUSODHU-GFCCVEGCSA-N 1 2 364.521 3.195 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187038324 496264438 /nfs/dbraw/zinc/26/44/38/496264438.db2.gz QYTVMCHRUSODHU-GFCCVEGCSA-N 1 2 364.521 3.195 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000153080710 496346457 /nfs/dbraw/zinc/34/64/57/496346457.db2.gz FTFDEAVMZSCDQO-CYBMUJFWSA-N 1 2 357.845 3.432 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000172654316 496375803 /nfs/dbraw/zinc/37/58/03/496375803.db2.gz FBZLKWJVVMHWTC-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000172654316 496375806 /nfs/dbraw/zinc/37/58/06/496375806.db2.gz FBZLKWJVVMHWTC-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000178292611 496401068 /nfs/dbraw/zinc/40/10/68/496401068.db2.gz URILFGLTJDFNIU-LEWJYISDSA-N 1 2 371.444 3.483 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000157348899 496460159 /nfs/dbraw/zinc/46/01/59/496460159.db2.gz YYYGLDFFMJVHCG-UHFFFAOYSA-N 1 2 371.506 3.086 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000178545577 496494041 /nfs/dbraw/zinc/49/40/41/496494041.db2.gz PFWKUCSTTHSULL-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163435980 496515452 /nfs/dbraw/zinc/51/54/52/496515452.db2.gz URNKMMPRJHPDQR-SFHVURJKSA-N 1 2 357.498 3.153 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163435980 496515458 /nfs/dbraw/zinc/51/54/58/496515458.db2.gz URNKMMPRJHPDQR-SFHVURJKSA-N 1 2 357.498 3.153 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163471352 496518814 /nfs/dbraw/zinc/51/88/14/496518814.db2.gz MOJIBKUVOCVRDB-GOSISDBHSA-N 1 2 359.514 3.377 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163471352 496518822 /nfs/dbraw/zinc/51/88/22/496518822.db2.gz MOJIBKUVOCVRDB-GOSISDBHSA-N 1 2 359.514 3.377 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000185259759 496719891 /nfs/dbraw/zinc/71/98/91/496719891.db2.gz JYFKCKLYSDNPRC-CYBMUJFWSA-N 1 2 353.426 3.278 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)n1 ZINC000191455234 496767446 /nfs/dbraw/zinc/76/74/46/496767446.db2.gz DXHWGXAOJCREES-KRWDZBQOSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)n1 ZINC000191455234 496767454 /nfs/dbraw/zinc/76/74/54/496767454.db2.gz DXHWGXAOJCREES-KRWDZBQOSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)n1 ZINC000191455249 496767743 /nfs/dbraw/zinc/76/77/43/496767743.db2.gz DXHWGXAOJCREES-QGZVFWFLSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)n1 ZINC000191455249 496767746 /nfs/dbraw/zinc/76/77/46/496767746.db2.gz DXHWGXAOJCREES-QGZVFWFLSA-N 1 2 371.462 3.407 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)s1 ZINC000273668013 496869780 /nfs/dbraw/zinc/86/97/80/496869780.db2.gz YUSHLRLZMJJVEI-LLVKDONJSA-N 1 2 363.874 3.097 20 30 FGEDLO C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000188702149 496882590 /nfs/dbraw/zinc/88/25/90/496882590.db2.gz ZCKLGEDYRMNCGJ-CVEARBPZSA-N 1 2 368.441 3.076 20 30 FGEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000264530703 496921693 /nfs/dbraw/zinc/92/16/93/496921693.db2.gz DJOVFFAVCQKNON-UHFFFAOYSA-N 1 2 355.482 3.204 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264764073 496979986 /nfs/dbraw/zinc/97/99/86/496979986.db2.gz UPSLILSAGDLTMI-UHFFFAOYSA-N 1 2 366.465 3.246 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450329 497015239 /nfs/dbraw/zinc/01/52/39/497015239.db2.gz IPIHVCMFSREJMF-RDTXWAMCSA-N 1 2 353.397 3.178 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450329 497015243 /nfs/dbraw/zinc/01/52/43/497015243.db2.gz IPIHVCMFSREJMF-RDTXWAMCSA-N 1 2 353.397 3.178 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000189304868 497075829 /nfs/dbraw/zinc/07/58/29/497075829.db2.gz JYTMQPTZBQLJTN-CJNGLKHVSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000189304868 497075832 /nfs/dbraw/zinc/07/58/32/497075832.db2.gz JYTMQPTZBQLJTN-CJNGLKHVSA-N 1 2 361.511 3.184 20 30 FGEDLO NC(=[NH+]OCc1ncc(C2CC2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000270449359 497130818 /nfs/dbraw/zinc/13/08/18/497130818.db2.gz MZYQGDHCISWAHQ-UHFFFAOYSA-N 1 2 364.405 3.363 20 30 FGEDLO N#C[C@@H](C(=O)C[NH+]1CCC2(CCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000265661747 497156298 /nfs/dbraw/zinc/15/62/98/497156298.db2.gz SANFRSQAFAZIGS-INIZCTEOSA-N 1 2 364.449 3.168 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192641681 497172738 /nfs/dbraw/zinc/17/27/38/497172738.db2.gz LPRBOGUMZQLNKE-INIZCTEOSA-N 1 2 366.421 3.362 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192641681 497172742 /nfs/dbraw/zinc/17/27/42/497172742.db2.gz LPRBOGUMZQLNKE-INIZCTEOSA-N 1 2 366.421 3.362 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3nc4c(cc3C#N)CCCC4)c[nH+]2)CCO1 ZINC000270884389 497220535 /nfs/dbraw/zinc/22/05/35/497220535.db2.gz FKQDJEDCUPADPZ-HNNXBMFYSA-N 1 2 363.465 3.064 20 30 FGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000266002368 497228850 /nfs/dbraw/zinc/22/88/50/497228850.db2.gz OQDYIPRIBJQLES-AWEZNQCLSA-N 1 2 356.495 3.195 20 30 FGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000266002368 497228855 /nfs/dbraw/zinc/22/88/55/497228855.db2.gz OQDYIPRIBJQLES-AWEZNQCLSA-N 1 2 356.495 3.195 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000249868490 497253527 /nfs/dbraw/zinc/25/35/27/497253527.db2.gz IRWNDVRTXITNIN-QZTJIDSGSA-N 1 2 371.481 3.498 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000249868490 497253533 /nfs/dbraw/zinc/25/35/33/497253533.db2.gz IRWNDVRTXITNIN-QZTJIDSGSA-N 1 2 371.481 3.498 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193231776 497329224 /nfs/dbraw/zinc/32/92/24/497329224.db2.gz GSOLMSYRWGSBMQ-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000193231776 497329228 /nfs/dbraw/zinc/32/92/28/497329228.db2.gz GSOLMSYRWGSBMQ-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000279473284 497448754 /nfs/dbraw/zinc/44/87/54/497448754.db2.gz VWWRKTRIUNWOMM-UHFFFAOYSA-N 1 2 355.392 3.207 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000279473284 497448759 /nfs/dbraw/zinc/44/87/59/497448759.db2.gz VWWRKTRIUNWOMM-UHFFFAOYSA-N 1 2 355.392 3.207 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000245558110 497455760 /nfs/dbraw/zinc/45/57/60/497455760.db2.gz VJJNGXSTAJZDQU-HYVNUMGLSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000245558110 497455764 /nfs/dbraw/zinc/45/57/64/497455764.db2.gz VJJNGXSTAJZDQU-HYVNUMGLSA-N 1 2 365.271 3.089 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570438 497461687 /nfs/dbraw/zinc/46/16/87/497461687.db2.gz BCSGGQRWCMBXNY-FUHWJXTLSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570438 497461692 /nfs/dbraw/zinc/46/16/92/497461692.db2.gz BCSGGQRWCMBXNY-FUHWJXTLSA-N 1 2 374.847 3.255 20 30 FGEDLO CCOC1CC(C/N=C/c2c(O)ccc3ccccc32)([NH+]2CCOCC2)C1 ZINC000193738440 497463179 /nfs/dbraw/zinc/46/31/79/497463179.db2.gz JOJHMDQBIFQTOZ-HZHRSRAPSA-N 1 2 368.477 3.234 20 30 FGEDLO N#CC(CC[N@@H+]1CCOC[C@]12CCOC2)(c1ccccc1)c1ccccc1 ZINC000193740439 497464729 /nfs/dbraw/zinc/46/47/29/497464729.db2.gz CTKPYROFKKMIND-JOCHJYFZSA-N 1 2 362.473 3.378 20 30 FGEDLO N#CC(CC[N@H+]1CCOC[C@]12CCOC2)(c1ccccc1)c1ccccc1 ZINC000193740439 497464734 /nfs/dbraw/zinc/46/47/34/497464734.db2.gz CTKPYROFKKMIND-JOCHJYFZSA-N 1 2 362.473 3.378 20 30 FGEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607676 497472413 /nfs/dbraw/zinc/47/24/13/497472413.db2.gz SQKYBJNVCQWLOA-NVXWUHKLSA-N 1 2 369.893 3.376 20 30 FGEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607676 497472416 /nfs/dbraw/zinc/47/24/16/497472416.db2.gz SQKYBJNVCQWLOA-NVXWUHKLSA-N 1 2 369.893 3.376 20 30 FGEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000193786566 497480858 /nfs/dbraw/zinc/48/08/58/497480858.db2.gz OVFIWSOJRNYXDB-UHFFFAOYSA-N 1 2 364.449 3.026 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705994 497515718 /nfs/dbraw/zinc/51/57/18/497515718.db2.gz HMGSASNSKNZIAV-IIYDPXPESA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705994 497515720 /nfs/dbraw/zinc/51/57/20/497515720.db2.gz HMGSASNSKNZIAV-IIYDPXPESA-N 1 2 365.271 3.089 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2cccc(SC)c2)n1 ZINC000279718284 497520608 /nfs/dbraw/zinc/52/06/08/497520608.db2.gz LIRHHSOJOLYVDS-HNNXBMFYSA-N 1 2 356.495 3.087 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2cccc(SC)c2)n1 ZINC000279718284 497520614 /nfs/dbraw/zinc/52/06/14/497520614.db2.gz LIRHHSOJOLYVDS-HNNXBMFYSA-N 1 2 356.495 3.087 20 30 FGEDLO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1nccn1CC(F)(F)F ZINC000276330549 497546679 /nfs/dbraw/zinc/54/66/79/497546679.db2.gz GRROWOYVSNJCJU-UHFFFAOYSA-N 1 2 369.256 3.091 20 30 FGEDLO C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1nccn1CC(F)(F)F ZINC000276330549 497546681 /nfs/dbraw/zinc/54/66/81/497546681.db2.gz GRROWOYVSNJCJU-UHFFFAOYSA-N 1 2 369.256 3.091 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000267545766 497576002 /nfs/dbraw/zinc/57/60/02/497576002.db2.gz OLKGWZYMYXNXQI-GOSISDBHSA-N 1 2 365.481 3.053 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000267545766 497576005 /nfs/dbraw/zinc/57/60/05/497576005.db2.gz OLKGWZYMYXNXQI-GOSISDBHSA-N 1 2 365.481 3.053 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000245954485 497583015 /nfs/dbraw/zinc/58/30/15/497583015.db2.gz QFFLBQDIMPTPCR-GDBMZVCRSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000245954485 497583018 /nfs/dbraw/zinc/58/30/18/497583018.db2.gz QFFLBQDIMPTPCR-GDBMZVCRSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272650132 497690588 /nfs/dbraw/zinc/69/05/88/497690588.db2.gz MUQJTGCUJSWLMN-LJQANCHMSA-N 1 2 360.417 3.490 20 30 FGEDLO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272650132 497690590 /nfs/dbraw/zinc/69/05/90/497690590.db2.gz MUQJTGCUJSWLMN-LJQANCHMSA-N 1 2 360.417 3.490 20 30 FGEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272722433 497711914 /nfs/dbraw/zinc/71/19/14/497711914.db2.gz ZRECDCUPWURIOS-IBGZPJMESA-N 1 2 360.417 3.376 20 30 FGEDLO N#CCc1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272722433 497711918 /nfs/dbraw/zinc/71/19/18/497711918.db2.gz ZRECDCUPWURIOS-IBGZPJMESA-N 1 2 360.417 3.376 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000246897746 497819291 /nfs/dbraw/zinc/81/92/91/497819291.db2.gz NHMCEPAWFXXFCQ-HZPDHXFCSA-N 1 2 361.511 3.100 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000246897746 497819292 /nfs/dbraw/zinc/81/92/92/497819292.db2.gz NHMCEPAWFXXFCQ-HZPDHXFCSA-N 1 2 361.511 3.100 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000246897757 497819403 /nfs/dbraw/zinc/81/94/03/497819403.db2.gz NHMCEPAWFXXFCQ-JKSUJKDBSA-N 1 2 361.511 3.100 20 30 FGEDLO C[C@H]1C[N@H+]([C@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000246897757 497819404 /nfs/dbraw/zinc/81/94/04/497819404.db2.gz NHMCEPAWFXXFCQ-JKSUJKDBSA-N 1 2 361.511 3.100 20 30 FGEDLO [O-]C(=[NH+]c1cc(F)c(F)cc1N1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329568893 497831855 /nfs/dbraw/zinc/83/18/55/497831855.db2.gz LQRWFCAXZRZAFO-UHFFFAOYSA-N 1 2 361.396 3.213 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](C3CCCCC3)C1)CCC2 ZINC000329577108 497833625 /nfs/dbraw/zinc/83/36/25/497833625.db2.gz KELZFSOIUHXVHN-ZWKOTPCHSA-N 1 2 360.502 3.264 20 30 FGEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329620870 497848339 /nfs/dbraw/zinc/84/83/39/497848339.db2.gz MWCAWBSZGHOAFS-QGZVFWFLSA-N 1 2 358.482 3.327 20 30 FGEDLO C[C@H]1OCC[C@@]1(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659866 497860291 /nfs/dbraw/zinc/86/02/91/497860291.db2.gz OGJIXXXEHZYNFM-PBFPGSCMSA-N 1 2 352.504 3.078 20 30 FGEDLO C[C@H]1OCC[C@@]1(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659866 497860296 /nfs/dbraw/zinc/86/02/96/497860296.db2.gz OGJIXXXEHZYNFM-PBFPGSCMSA-N 1 2 352.504 3.078 20 30 FGEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329700075 497873730 /nfs/dbraw/zinc/87/37/30/497873730.db2.gz ZMWWLWGITQPOHB-LJQANCHMSA-N 1 2 372.513 3.377 20 30 FGEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCCC2(CCOCC2)C1 ZINC000329786473 497901036 /nfs/dbraw/zinc/90/10/36/497901036.db2.gz XYLSVMPPUUJDLL-UHFFFAOYSA-N 1 2 368.481 3.238 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C ZINC000329798597 497905368 /nfs/dbraw/zinc/90/53/68/497905368.db2.gz XODSPOSVWYYKTI-FPOVZHCZSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C ZINC000329798597 497905374 /nfs/dbraw/zinc/90/53/74/497905374.db2.gz XODSPOSVWYYKTI-FPOVZHCZSA-N 1 2 369.509 3.440 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000292164412 497906210 /nfs/dbraw/zinc/90/62/10/497906210.db2.gz LHKBKCQIBZWKQL-UHFFFAOYSA-N 1 2 351.454 3.219 20 30 FGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000292164412 497906215 /nfs/dbraw/zinc/90/62/15/497906215.db2.gz LHKBKCQIBZWKQL-UHFFFAOYSA-N 1 2 351.454 3.219 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c[nH+]2)CCO1 ZINC000329806413 497908243 /nfs/dbraw/zinc/90/82/43/497908243.db2.gz LHOAESYJWBGYEQ-QXCFHYIPSA-N 1 2 372.513 3.279 20 30 FGEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000329820611 497913470 /nfs/dbraw/zinc/91/34/70/497913470.db2.gz YHWBLNUDTKGTQD-MUYFXNHWSA-N 1 2 369.509 3.222 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)Nc3cccc4[nH+]ccn43)CC2)c(F)c1 ZINC000288839546 497916312 /nfs/dbraw/zinc/91/63/12/497916312.db2.gz PFZOQURZFFMBIE-UHFFFAOYSA-N 1 2 363.396 3.200 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000329852273 497927681 /nfs/dbraw/zinc/92/76/81/497927681.db2.gz UPLHSZBBGBGEOT-JTQLQIEISA-N 1 2 353.348 3.097 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292330609 497972593 /nfs/dbraw/zinc/97/25/93/497972593.db2.gz WHZROFFZYYEMDX-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292330609 497972600 /nfs/dbraw/zinc/97/26/00/497972600.db2.gz WHZROFFZYYEMDX-HNNXBMFYSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000329966590 497973561 /nfs/dbraw/zinc/97/35/61/497973561.db2.gz VCFQMHNVRIGCNE-QRFRQXIXSA-N 1 2 368.481 3.178 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000329974482 497976521 /nfs/dbraw/zinc/97/65/21/497976521.db2.gz ZDXJLZUMVXRNAF-XJKSGUPXSA-N 1 2 358.417 3.002 20 30 FGEDLO CC1(CCNC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000329979593 497978317 /nfs/dbraw/zinc/97/83/17/497978317.db2.gz JWSUGTKKJSMNHG-MRXNPFEDSA-N 1 2 358.486 3.239 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCSc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329995776 497983913 /nfs/dbraw/zinc/98/39/13/497983913.db2.gz NSKBQUVUZVKXDK-HZPDHXFCSA-N 1 2 371.510 3.239 20 30 FGEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000330056931 498006542 /nfs/dbraw/zinc/00/65/42/498006542.db2.gz WQCFDTGJERNUGF-ROUUACIJSA-N 1 2 360.502 3.452 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075589 498011759 /nfs/dbraw/zinc/01/17/59/498011759.db2.gz LXDWXPVGOSOZDU-PXAZEXFGSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075589 498011763 /nfs/dbraw/zinc/01/17/63/498011763.db2.gz LXDWXPVGOSOZDU-PXAZEXFGSA-N 1 2 353.488 3.006 20 30 FGEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301231952 498012702 /nfs/dbraw/zinc/01/27/02/498012702.db2.gz FVQQHPJWZXNOLJ-RDJZCZTQSA-N 1 2 374.916 3.029 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(C(F)F)CC1)C2 ZINC000330129630 498032796 /nfs/dbraw/zinc/03/27/96/498032796.db2.gz KBSYSGKQYKIXKH-ZDUSSCGKSA-N 1 2 354.445 3.387 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000330135229 498033909 /nfs/dbraw/zinc/03/39/09/498033909.db2.gz MSUDYUGVCGMBMM-FPOVZHCZSA-N 1 2 374.481 3.222 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@H](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000330135229 498033917 /nfs/dbraw/zinc/03/39/17/498033917.db2.gz MSUDYUGVCGMBMM-FPOVZHCZSA-N 1 2 374.481 3.222 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330137527 498035083 /nfs/dbraw/zinc/03/50/83/498035083.db2.gz UYEKVXVBCGHXBC-BZSOYRFXSA-N 1 2 374.481 3.125 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330137527 498035091 /nfs/dbraw/zinc/03/50/91/498035091.db2.gz UYEKVXVBCGHXBC-BZSOYRFXSA-N 1 2 374.481 3.125 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@@]2(CCOC2)O1 ZINC000330156071 498043916 /nfs/dbraw/zinc/04/39/16/498043916.db2.gz OMEJCEITJOBFHT-WHSLLNHNSA-N 1 2 369.465 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@@]2(CCOC2)O1 ZINC000330156071 498043920 /nfs/dbraw/zinc/04/39/20/498043920.db2.gz OMEJCEITJOBFHT-WHSLLNHNSA-N 1 2 369.465 3.481 20 30 FGEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000330322400 498104778 /nfs/dbraw/zinc/10/47/78/498104778.db2.gz SMVGCUDQFKLTME-LBPRGKRZSA-N 1 2 362.865 3.477 20 30 FGEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)[nH]1 ZINC000330322400 498104786 /nfs/dbraw/zinc/10/47/86/498104786.db2.gz SMVGCUDQFKLTME-LBPRGKRZSA-N 1 2 362.865 3.477 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CC[C@@H](O)C23CCCC3)c1)[NH+]1CCOCC1 ZINC000330341993 498111801 /nfs/dbraw/zinc/11/18/01/498111801.db2.gz ZZXWISYXFCPJEN-VQIMIIECSA-N 1 2 373.497 3.005 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285541893 498123197 /nfs/dbraw/zinc/12/31/97/498123197.db2.gz FXNVDXDPWWWJNC-SECBINFHSA-N 1 2 350.394 3.199 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1C ZINC000285628483 498152403 /nfs/dbraw/zinc/15/24/03/498152403.db2.gz RAHFEOGUCKMWIX-KRWDZBQOSA-N 1 2 358.404 3.253 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1C ZINC000285628483 498152398 /nfs/dbraw/zinc/15/23/98/498152398.db2.gz RAHFEOGUCKMWIX-KRWDZBQOSA-N 1 2 358.404 3.253 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289543009 498187261 /nfs/dbraw/zinc/18/72/61/498187261.db2.gz MOAUBDZNJFLMGF-WBVHZDCISA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289543009 498187269 /nfs/dbraw/zinc/18/72/69/498187269.db2.gz MOAUBDZNJFLMGF-WBVHZDCISA-N 1 2 359.495 3.209 20 30 FGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000330800872 498196957 /nfs/dbraw/zinc/19/69/57/498196957.db2.gz AEJOIYKBALEUPQ-JOYOIKCWSA-N 1 2 356.651 3.323 20 30 FGEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000281694720 498239357 /nfs/dbraw/zinc/23/93/57/498239357.db2.gz NIAGQBIQIKYSJZ-KBPBESRZSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000281694720 498239361 /nfs/dbraw/zinc/23/93/61/498239361.db2.gz NIAGQBIQIKYSJZ-KBPBESRZSA-N 1 2 361.511 3.326 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000289679089 498244984 /nfs/dbraw/zinc/24/49/84/498244984.db2.gz HNSJTFGNIKHAFI-MAUKXSAKSA-N 1 2 359.495 3.130 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000289679089 498244991 /nfs/dbraw/zinc/24/49/91/498244991.db2.gz HNSJTFGNIKHAFI-MAUKXSAKSA-N 1 2 359.495 3.130 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)ccc1Br ZINC000331339427 498305181 /nfs/dbraw/zinc/30/51/81/498305181.db2.gz JSVQJGPXZGZQOB-ZOWXZIJZSA-N 1 2 350.260 3.366 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1F ZINC000572634693 506017100 /nfs/dbraw/zinc/01/71/00/506017100.db2.gz FSZIRWHXDMGRGU-GOSISDBHSA-N 1 2 369.444 3.374 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000331470883 498342031 /nfs/dbraw/zinc/34/20/31/498342031.db2.gz OSSHVBJLYVQSCI-INIZCTEOSA-N 1 2 355.442 3.150 20 30 FGEDLO Cc1c(Cl)cncc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297177549 498345324 /nfs/dbraw/zinc/34/53/24/498345324.db2.gz UCZJMDFPCJCZHV-UHFFFAOYSA-N 1 2 369.856 3.265 20 30 FGEDLO FC(F)(F)c1nnc(N2CCC[N@H+](CC#Cc3ccccc3)CC2)s1 ZINC000365245857 498372946 /nfs/dbraw/zinc/37/29/46/498372946.db2.gz XPHXGRWUNPEAIP-UHFFFAOYSA-N 1 2 366.412 3.121 20 30 FGEDLO FC(F)(F)c1nnc(N2CCC[N@@H+](CC#Cc3ccccc3)CC2)s1 ZINC000365245857 498372954 /nfs/dbraw/zinc/37/29/54/498372954.db2.gz XPHXGRWUNPEAIP-UHFFFAOYSA-N 1 2 366.412 3.121 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331569104 498376508 /nfs/dbraw/zinc/37/65/08/498376508.db2.gz NXVOQGIDVFDKGU-JXFKEZNVSA-N 1 2 354.454 3.409 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331569104 498376517 /nfs/dbraw/zinc/37/65/17/498376517.db2.gz NXVOQGIDVFDKGU-JXFKEZNVSA-N 1 2 354.454 3.409 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1c(F)cccc1F ZINC000569892659 506039347 /nfs/dbraw/zinc/03/93/47/506039347.db2.gz QUQCZBKZRJSIGL-MRXNPFEDSA-N 1 2 362.355 3.400 20 30 FGEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362705742 498543040 /nfs/dbraw/zinc/54/30/40/498543040.db2.gz ZCCSJYXBLFFSCB-INIZCTEOSA-N 1 2 374.448 3.178 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000363037431 498615390 /nfs/dbraw/zinc/61/53/90/498615390.db2.gz FRTHXWSEXMAKNS-MRXNPFEDSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000363037431 498615396 /nfs/dbraw/zinc/61/53/96/498615396.db2.gz FRTHXWSEXMAKNS-MRXNPFEDSA-N 1 2 358.401 3.361 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C1CC1 ZINC000576060377 506066722 /nfs/dbraw/zinc/06/67/22/506066722.db2.gz NGHWEDPNTNEGHS-LJQANCHMSA-N 1 2 352.438 3.108 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)c1 ZINC000298024943 498642355 /nfs/dbraw/zinc/64/23/55/498642355.db2.gz GEUSGRMYRZBUIJ-AOIWGVFYSA-N 1 2 370.497 3.166 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)n1 ZINC000581823337 506067854 /nfs/dbraw/zinc/06/78/54/506067854.db2.gz ZUHVSRLHJXRNTE-INIZCTEOSA-N 1 2 360.421 3.308 20 30 FGEDLO N#Cc1c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cccc1-n1cccn1 ZINC000581834972 506070172 /nfs/dbraw/zinc/07/01/72/506070172.db2.gz HZHAYSSUPZEZGU-QFIPXVFZSA-N 1 2 373.460 3.229 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000298214349 498696727 /nfs/dbraw/zinc/69/67/27/498696727.db2.gz VAKJEGLSPVDXPS-SMMRIJLZSA-N 1 2 363.465 3.493 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000332541339 498719161 /nfs/dbraw/zinc/71/91/61/498719161.db2.gz XEJQBOJXYCPEGQ-IBGZPJMESA-N 1 2 368.481 3.296 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000366093905 498771724 /nfs/dbraw/zinc/77/17/24/498771724.db2.gz IMSDPSVYPAHVHJ-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000570097509 506089601 /nfs/dbraw/zinc/08/96/01/506089601.db2.gz GZSIDBBXTOBKBK-FQEVSTJZSA-N 1 2 371.868 3.346 20 30 FGEDLO COCc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000298482410 498787204 /nfs/dbraw/zinc/78/72/04/498787204.db2.gz MVQQSWITWVTVSO-UHFFFAOYSA-N 1 2 364.449 3.054 20 30 FGEDLO Cc1cc(C)c(C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000576163949 506091973 /nfs/dbraw/zinc/09/19/73/506091973.db2.gz HAZIPGHHOIFPQS-AEFFLSMTSA-N 1 2 369.431 3.293 20 30 FGEDLO Cc1cc(C)c(C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000576163951 506092035 /nfs/dbraw/zinc/09/20/35/506092035.db2.gz HAZIPGHHOIFPQS-SJLPKXTDSA-N 1 2 369.431 3.293 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(I)cc1Cl ZINC000581978562 506104498 /nfs/dbraw/zinc/10/44/98/506104498.db2.gz CLHNNCRHOCYQEA-SNVBAGLBSA-N 1 2 373.625 3.478 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@@H]1CCc3ccccc3C1)CCC2 ZINC000328650410 498889565 /nfs/dbraw/zinc/88/95/65/498889565.db2.gz JFSYVANTCJIDBN-RBUKOAKNSA-N 1 2 352.482 3.472 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CCc3ccccc3C1)CCC2 ZINC000328650410 498889570 /nfs/dbraw/zinc/88/95/70/498889570.db2.gz JFSYVANTCJIDBN-RBUKOAKNSA-N 1 2 352.482 3.472 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000366377584 498900223 /nfs/dbraw/zinc/90/02/23/498900223.db2.gz JLDIBJDSQDIUBX-HKUYNNGSSA-N 1 2 350.466 3.289 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3cn4c(n3)CCCC4)c[nH+]2)CC1 ZINC000328723003 498915387 /nfs/dbraw/zinc/91/53/87/498915387.db2.gz SEWTVIVNLQUWHX-UHFFFAOYSA-N 1 2 353.470 3.356 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000328725750 498916558 /nfs/dbraw/zinc/91/65/58/498916558.db2.gz UGHUYIRLARADOV-KSZLIROESA-N 1 2 354.454 3.103 20 30 FGEDLO Cc1nc2cccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2[nH]1 ZINC000328729097 498917678 /nfs/dbraw/zinc/91/76/78/498917678.db2.gz FGIVBNDSUFIQST-UHFFFAOYSA-N 1 2 356.470 3.211 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCCO1 ZINC000328773498 498933742 /nfs/dbraw/zinc/93/37/42/498933742.db2.gz HLQLVNTYVLQITF-HOCLYGCPSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCCO1 ZINC000328773498 498933745 /nfs/dbraw/zinc/93/37/45/498933745.db2.gz HLQLVNTYVLQITF-HOCLYGCPSA-N 1 2 366.531 3.421 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](CC(C)C)N1CCCCC1=O)CCC2 ZINC000328786598 498938062 /nfs/dbraw/zinc/93/80/62/498938062.db2.gz KUVALDXMRNXTBX-IRXDYDNUSA-N 1 2 360.502 3.453 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000328822946 498949194 /nfs/dbraw/zinc/94/91/94/498949194.db2.gz GKCNSDVRIUJDGO-CYBMUJFWSA-N 1 2 372.425 3.389 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000328822946 498949199 /nfs/dbraw/zinc/94/91/99/498949199.db2.gz GKCNSDVRIUJDGO-CYBMUJFWSA-N 1 2 372.425 3.389 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N(C3CCC(C)CC3)C1)CCC2 ZINC000328836298 498955810 /nfs/dbraw/zinc/95/58/10/498955810.db2.gz SNTAHBRTWMXNRO-FFDQMNFHSA-N 1 2 372.513 3.453 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)ccc2[nH+]1 ZINC000328870546 498968967 /nfs/dbraw/zinc/96/89/67/498968967.db2.gz YAHOGBKXEUKYKW-OAHLLOKOSA-N 1 2 355.442 3.159 20 30 FGEDLO Cc1ncsc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000328913176 498983320 /nfs/dbraw/zinc/98/33/20/498983320.db2.gz HXPXEIFAGZKMOE-ZBFHGGJFSA-N 1 2 366.437 3.179 20 30 FGEDLO Cc1ncsc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000328913176 498983327 /nfs/dbraw/zinc/98/33/27/498983327.db2.gz HXPXEIFAGZKMOE-ZBFHGGJFSA-N 1 2 366.437 3.179 20 30 FGEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328935043 498990215 /nfs/dbraw/zinc/99/02/15/498990215.db2.gz CIDDEPNOTHNHSF-BZUAXINKSA-N 1 2 357.458 3.020 20 30 FGEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000328946568 498994766 /nfs/dbraw/zinc/99/47/66/498994766.db2.gz MIHXHYUGFPUQOK-SJLPKXTDSA-N 1 2 369.469 3.001 20 30 FGEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCc2ccccc21 ZINC000328949253 498995899 /nfs/dbraw/zinc/99/58/99/498995899.db2.gz WLTXXSYZQRZPMZ-FQEVSTJZSA-N 1 2 369.509 3.007 20 30 FGEDLO Cc1noc([C@@H]([NH2+]CC(=O)NC2CCCCCC2)C2CCOCC2)n1 ZINC000328980299 499005572 /nfs/dbraw/zinc/00/55/72/499005572.db2.gz RIPMECYIEBZXCU-KRWDZBQOSA-N 1 2 350.463 3.115 20 30 FGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3nc4ccc(C)cc4s3)C2)n1 ZINC000329029602 499020316 /nfs/dbraw/zinc/02/03/16/499020316.db2.gz KXIDFXSKVFPWOJ-GFCCVEGCSA-N 1 2 357.439 3.374 20 30 FGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3nc4ccc(C)cc4s3)C2)n1 ZINC000329029602 499020324 /nfs/dbraw/zinc/02/03/24/499020324.db2.gz KXIDFXSKVFPWOJ-GFCCVEGCSA-N 1 2 357.439 3.374 20 30 FGEDLO CC(=O)N1CC[N@H+](Cc2cn3ccccc3c2C#N)CC12CCCCC2 ZINC000329046183 499025575 /nfs/dbraw/zinc/02/55/75/499025575.db2.gz PWHOCCMVHXNZDY-UHFFFAOYSA-N 1 2 350.466 3.178 20 30 FGEDLO CC(=O)N1CC[N@@H+](Cc2cn3ccccc3c2C#N)CC12CCCCC2 ZINC000329046183 499025579 /nfs/dbraw/zinc/02/55/79/499025579.db2.gz PWHOCCMVHXNZDY-UHFFFAOYSA-N 1 2 350.466 3.178 20 30 FGEDLO Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC000329058834 499028823 /nfs/dbraw/zinc/02/88/23/499028823.db2.gz YOSUMJWDVKANIR-VQIMIIECSA-N 1 2 370.428 3.067 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329067062 499032632 /nfs/dbraw/zinc/03/26/32/499032632.db2.gz LSRRXMZOACAGPO-LEWJYISDSA-N 1 2 358.482 3.284 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329067062 499032638 /nfs/dbraw/zinc/03/26/38/499032638.db2.gz LSRRXMZOACAGPO-LEWJYISDSA-N 1 2 358.482 3.284 20 30 FGEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC12CCCCC2 ZINC000329097868 499040787 /nfs/dbraw/zinc/04/07/87/499040787.db2.gz CKVMFYFFEFKSFR-QGZVFWFLSA-N 1 2 364.511 3.049 20 30 FGEDLO CC1(C)C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C(C)(C)O1 ZINC000329250522 499083838 /nfs/dbraw/zinc/08/38/38/499083838.db2.gz ULGYYHMPCHIEHC-ZDUSSCGKSA-N 1 2 350.850 3.337 20 30 FGEDLO Cc1noc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1 ZINC000329252503 499084212 /nfs/dbraw/zinc/08/42/12/499084212.db2.gz BXSPLCBGMZJHSE-AWEZNQCLSA-N 1 2 358.446 3.259 20 30 FGEDLO Cc1noc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1 ZINC000329252503 499084216 /nfs/dbraw/zinc/08/42/16/499084216.db2.gz BXSPLCBGMZJHSE-AWEZNQCLSA-N 1 2 358.446 3.259 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366838881 499090434 /nfs/dbraw/zinc/09/04/34/499090434.db2.gz LPULUGOZTASKAZ-HFBAOOFYSA-N 1 2 352.841 3.025 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366838881 499090437 /nfs/dbraw/zinc/09/04/37/499090437.db2.gz LPULUGOZTASKAZ-HFBAOOFYSA-N 1 2 352.841 3.025 20 30 FGEDLO CC(C)(C)c1nc(=NC(=O)NCc2ccnc(N3CCCCC3)c2)s[nH]1 ZINC000329329719 499100686 /nfs/dbraw/zinc/10/06/86/499100686.db2.gz LGEOAPJDOBEXHN-UHFFFAOYSA-N 1 2 374.514 3.169 20 30 FGEDLO CC(C)(C)c1nc(=NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s[nH]1 ZINC000329329719 499100689 /nfs/dbraw/zinc/10/06/89/499100689.db2.gz LGEOAPJDOBEXHN-UHFFFAOYSA-N 1 2 374.514 3.169 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)s1 ZINC000329338372 499102765 /nfs/dbraw/zinc/10/27/65/499102765.db2.gz QLHDUFKIWYITBP-UHFFFAOYSA-N 1 2 371.510 3.089 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000291941890 499107300 /nfs/dbraw/zinc/10/73/00/499107300.db2.gz ATGXAZDOMWQSCX-UHFFFAOYSA-N 1 2 356.470 3.034 20 30 FGEDLO Cc1cc(NC(=O)N(C)Cc2cnccn2)c[nH+]c1N1CCCC[C@H]1C ZINC000329364031 499109208 /nfs/dbraw/zinc/10/92/08/499109208.db2.gz ZXFRXLUHMRPHRC-OAHLLOKOSA-N 1 2 354.458 3.236 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329423868 499118956 /nfs/dbraw/zinc/11/89/56/499118956.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329423868 499118957 /nfs/dbraw/zinc/11/89/57/499118957.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329423868 499118960 /nfs/dbraw/zinc/11/89/60/499118960.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329423868 499118961 /nfs/dbraw/zinc/11/89/61/499118961.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000329423868 499118964 /nfs/dbraw/zinc/11/89/64/499118964.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000329423868 499118965 /nfs/dbraw/zinc/11/89/65/499118965.db2.gz GGWCIKHFSGJHMO-UKRRQHHQSA-N 1 2 357.458 3.286 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCOCC2(CC2)C1 ZINC000329463164 499125228 /nfs/dbraw/zinc/12/52/28/499125228.db2.gz QLNPBIHGYVOWMY-UHFFFAOYSA-N 1 2 364.449 3.260 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000329478752 499126838 /nfs/dbraw/zinc/12/68/38/499126838.db2.gz ORRQRJUTHCZXJY-UONOGXRCSA-N 1 2 374.407 3.076 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC[C@@H]3Cc3c[nH]c4ccccc34)n2c1 ZINC000367047977 499139390 /nfs/dbraw/zinc/13/93/90/499139390.db2.gz PAUONARBDZXKRP-SFHVURJKSA-N 1 2 371.444 3.131 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC[C@@H]3Cc3c[nH]c4ccccc34)n2c1 ZINC000367047977 499139393 /nfs/dbraw/zinc/13/93/93/499139393.db2.gz PAUONARBDZXKRP-SFHVURJKSA-N 1 2 371.444 3.131 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056917 499141167 /nfs/dbraw/zinc/14/11/67/499141167.db2.gz CZHMKSJYWKBAMQ-AWEZNQCLSA-N 1 2 369.856 3.014 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)sc1SCC#N ZINC000367429241 499197922 /nfs/dbraw/zinc/19/79/22/499197922.db2.gz HOGOWSDVRJRCGN-DGCLKSJQSA-N 1 2 373.507 3.173 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000370533114 499229505 /nfs/dbraw/zinc/22/95/05/499229505.db2.gz IVXACCQZBFPHGE-UHFFFAOYSA-N 1 2 361.424 3.464 20 30 FGEDLO CCCCCCCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000370647666 499239716 /nfs/dbraw/zinc/23/97/16/499239716.db2.gz JKJQPLVUBOXMSQ-UHFFFAOYSA-N 1 2 371.547 3.179 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812049 499335581 /nfs/dbraw/zinc/33/55/81/499335581.db2.gz FSKFZZXDUILQSP-UONOGXRCSA-N 1 2 358.417 3.115 20 30 FGEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369207842 499377442 /nfs/dbraw/zinc/37/74/42/499377442.db2.gz RNWOCGLYEMIFNG-QZTJIDSGSA-N 1 2 362.477 3.205 20 30 FGEDLO N#CC1(C(=O)NC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CCCCC1 ZINC000369287411 499388015 /nfs/dbraw/zinc/38/80/15/499388015.db2.gz HFLDQALSNAWVLT-UHFFFAOYSA-N 1 2 351.454 3.122 20 30 FGEDLO N#C[C@@H]1N(Cc2[nH+]ccn2Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000369304273 499389728 /nfs/dbraw/zinc/38/97/28/499389728.db2.gz ZZXZSYVSVYFLLE-PZJWPPBQSA-N 1 2 350.466 3.359 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccn1 ZINC000372152020 499403729 /nfs/dbraw/zinc/40/37/29/499403729.db2.gz CBKUPMPHRJNTDI-NRFANRHFSA-N 1 2 353.466 3.194 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372941025 499443922 /nfs/dbraw/zinc/44/39/22/499443922.db2.gz UPPTXEGTLXUGHH-UHFFFAOYSA-N 1 2 353.426 3.154 20 30 FGEDLO COc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C#N ZINC000373026902 499448009 /nfs/dbraw/zinc/44/80/09/499448009.db2.gz TZQFBSMZRAVFFY-FQEVSTJZSA-N 1 2 350.397 3.319 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)s1 ZINC000378344611 499504186 /nfs/dbraw/zinc/50/41/86/499504186.db2.gz AXSXOVDDBHQMSZ-CQSZACIVSA-N 1 2 352.423 3.187 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)s1 ZINC000378344611 499504187 /nfs/dbraw/zinc/50/41/87/499504187.db2.gz AXSXOVDDBHQMSZ-CQSZACIVSA-N 1 2 352.423 3.187 20 30 FGEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000375394354 499513585 /nfs/dbraw/zinc/51/35/85/499513585.db2.gz UYEQUMVMCKBSHD-UHFFFAOYSA-N 1 2 369.494 3.152 20 30 FGEDLO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1O ZINC000375582378 499534764 /nfs/dbraw/zinc/53/47/64/499534764.db2.gz KMBHEDNHFHHLBN-LBPRGKRZSA-N 1 2 358.392 3.257 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1)CCC2 ZINC000375794193 499556413 /nfs/dbraw/zinc/55/64/13/499556413.db2.gz PHEITHHFWAGXDC-OAHLLOKOSA-N 1 2 371.462 3.104 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1)CCC2 ZINC000375794193 499556415 /nfs/dbraw/zinc/55/64/15/499556415.db2.gz PHEITHHFWAGXDC-OAHLLOKOSA-N 1 2 371.462 3.104 20 30 FGEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935935 499569721 /nfs/dbraw/zinc/56/97/21/499569721.db2.gz YATDNOQXTMBTBT-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935935 499569722 /nfs/dbraw/zinc/56/97/22/499569722.db2.gz YATDNOQXTMBTBT-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376139664 499585934 /nfs/dbraw/zinc/58/59/34/499585934.db2.gz KBWZUSZURGRFQF-ZVZYQTTQSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376139664 499585936 /nfs/dbraw/zinc/58/59/36/499585936.db2.gz KBWZUSZURGRFQF-ZVZYQTTQSA-N 1 2 353.388 3.295 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cccc(C#Cc3ccccn3)c1)CC2 ZINC000376270050 499596011 /nfs/dbraw/zinc/59/60/11/499596011.db2.gz LXDDDSZOIHBTHB-UHFFFAOYSA-N 1 2 357.417 3.034 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000376594667 499621422 /nfs/dbraw/zinc/62/14/22/499621422.db2.gz GLMPIMIJKAJSTP-UHFFFAOYSA-N 1 2 351.841 3.440 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411137390 499701900 /nfs/dbraw/zinc/70/19/00/499701900.db2.gz OJFCHNDXFNJPKX-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2Cl)C1=O ZINC000411678319 499776619 /nfs/dbraw/zinc/77/66/19/499776619.db2.gz UWAYIKAJWKVPNH-CYBMUJFWSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2Cl)C1=O ZINC000411678319 499776620 /nfs/dbraw/zinc/77/66/20/499776620.db2.gz UWAYIKAJWKVPNH-CYBMUJFWSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411890185 499800709 /nfs/dbraw/zinc/80/07/09/499800709.db2.gz WRAKBIMPVKNVFJ-GOSISDBHSA-N 1 2 351.450 3.249 20 30 FGEDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412060473 499818975 /nfs/dbraw/zinc/81/89/75/499818975.db2.gz FRIAODPRFXXWDM-INIZCTEOSA-N 1 2 351.244 3.096 20 30 FGEDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000412060473 499818976 /nfs/dbraw/zinc/81/89/76/499818976.db2.gz FRIAODPRFXXWDM-INIZCTEOSA-N 1 2 351.244 3.096 20 30 FGEDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000425091926 500017699 /nfs/dbraw/zinc/01/76/99/500017699.db2.gz YOIJNEAUOQJYMT-NSHDSACASA-N 1 2 350.344 3.220 20 30 FGEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000421355619 500023880 /nfs/dbraw/zinc/02/38/80/500023880.db2.gz ZXHHYMLWMNYXNK-UHFFFAOYSA-N 1 2 354.884 3.357 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429211874 500024527 /nfs/dbraw/zinc/02/45/27/500024527.db2.gz YZVFMEOMGKNDHD-AUUYWEPGSA-N 1 2 362.905 3.357 20 30 FGEDLO Cc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C#N)c[nH+]1 ZINC000425208921 500044503 /nfs/dbraw/zinc/04/45/03/500044503.db2.gz NRPWHGHMHKSMNY-UHFFFAOYSA-N 1 2 364.493 3.127 20 30 FGEDLO Cc1cc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c(C#N)c[nH+]1 ZINC000425209596 500045037 /nfs/dbraw/zinc/04/50/37/500045037.db2.gz SAPWNGOPSFHKAL-UHFFFAOYSA-N 1 2 366.440 3.242 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2occc2C)cc1 ZINC000429403736 500070317 /nfs/dbraw/zinc/07/03/17/500070317.db2.gz KYHJDEUWJJUZLT-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2occc2C)cc1 ZINC000429403736 500070319 /nfs/dbraw/zinc/07/03/19/500070319.db2.gz KYHJDEUWJJUZLT-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000573333385 506174440 /nfs/dbraw/zinc/17/44/40/506174440.db2.gz IWAIQTNKPCEYFJ-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000421605803 500091522 /nfs/dbraw/zinc/09/15/22/500091522.db2.gz XDTDACHDYXZMDO-GOSISDBHSA-N 1 2 357.454 3.430 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000421605803 500091523 /nfs/dbraw/zinc/09/15/23/500091523.db2.gz XDTDACHDYXZMDO-GOSISDBHSA-N 1 2 357.454 3.430 20 30 FGEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425683516 500180436 /nfs/dbraw/zinc/18/04/36/500180436.db2.gz OIRJQSMNTFIFQS-OAHLLOKOSA-N 1 2 354.454 3.335 20 30 FGEDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000430108482 500193647 /nfs/dbraw/zinc/19/36/47/500193647.db2.gz TUSLRDZMCKIMTF-OAHLLOKOSA-N 1 2 374.428 3.366 20 30 FGEDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000430108482 500193650 /nfs/dbraw/zinc/19/36/50/500193650.db2.gz TUSLRDZMCKIMTF-OAHLLOKOSA-N 1 2 374.428 3.366 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000426128296 500239187 /nfs/dbraw/zinc/23/91/87/500239187.db2.gz MWCCMUPUMUUGIS-UHFFFAOYSA-N 1 2 357.723 3.292 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000418935979 500331506 /nfs/dbraw/zinc/33/15/06/500331506.db2.gz BBBOMELJJXQUIO-NRFANRHFSA-N 1 2 366.465 3.007 20 30 FGEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000419373628 500358639 /nfs/dbraw/zinc/35/86/39/500358639.db2.gz OMVORAHPPDPNHT-UXHICEINSA-N 1 2 352.409 3.449 20 30 FGEDLO C=CCc1cc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc(OC)c1O ZINC000424202552 500468082 /nfs/dbraw/zinc/46/80/82/500468082.db2.gz PXOBYBOHEPBXGM-LLVKDONJSA-N 1 2 362.451 3.223 20 30 FGEDLO CC1(C)CCCc2cc(C#N)c(N3CC[NH+](Cc4ccccn4)CC3)nc21 ZINC000428109701 500470018 /nfs/dbraw/zinc/47/00/18/500470018.db2.gz CGSVMPKVUAZJOL-UHFFFAOYSA-N 1 2 361.493 3.284 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)nn1 ZINC000424295971 500483253 /nfs/dbraw/zinc/48/32/53/500483253.db2.gz NWPZDKMULJHTME-OAHLLOKOSA-N 1 2 374.510 3.031 20 30 FGEDLO Cc1cc(CNC(=O)NCCSCc2ccccc2C#N)cc(C)[nH+]1 ZINC000420765490 500496541 /nfs/dbraw/zinc/49/65/41/500496541.db2.gz QUZUGXZEEDHHNZ-UHFFFAOYSA-N 1 2 354.479 3.303 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428366314 500501296 /nfs/dbraw/zinc/50/12/96/500501296.db2.gz XCMVREXULPCZLQ-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nn1 ZINC000424564801 500517968 /nfs/dbraw/zinc/51/79/68/500517968.db2.gz MECODQQCVQIFJB-OAHLLOKOSA-N 1 2 373.888 3.027 20 30 FGEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925613 500532416 /nfs/dbraw/zinc/53/24/16/500532416.db2.gz LYTAIFRZIREWMX-UKRRQHHQSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925613 500532418 /nfs/dbraw/zinc/53/24/18/500532418.db2.gz LYTAIFRZIREWMX-UKRRQHHQSA-N 1 2 359.426 3.409 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000582399129 506202722 /nfs/dbraw/zinc/20/27/22/506202722.db2.gz YGIYQDSBTYWGQP-KRDZULTMSA-N 1 2 368.477 3.442 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000582399129 506202724 /nfs/dbraw/zinc/20/27/24/506202724.db2.gz YGIYQDSBTYWGQP-KRDZULTMSA-N 1 2 368.477 3.442 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1Cl ZINC000428791390 500557501 /nfs/dbraw/zinc/55/75/01/500557501.db2.gz DCFAAMKQMQLPAO-LJQANCHMSA-N 1 2 369.852 3.167 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)c1 ZINC000432753771 500557821 /nfs/dbraw/zinc/55/78/21/500557821.db2.gz WPTPFIZKDVWZEZ-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CCCCOc1c(Cl)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000573494395 506204310 /nfs/dbraw/zinc/20/43/10/506204310.db2.gz HNVDTSMXPQHSPL-SFHVURJKSA-N 1 2 367.877 3.101 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1)C1CC1 ZINC000442411267 500588710 /nfs/dbraw/zinc/58/87/10/500588710.db2.gz SZHWMCHTXPIIGK-UHFFFAOYSA-N 1 2 374.444 3.425 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433309430 500668330 /nfs/dbraw/zinc/66/83/30/500668330.db2.gz ZNKPFUIRYMGKJM-QGZVFWFLSA-N 1 2 374.893 3.475 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433309430 500668333 /nfs/dbraw/zinc/66/83/33/500668333.db2.gz ZNKPFUIRYMGKJM-QGZVFWFLSA-N 1 2 374.893 3.475 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000437643214 500674757 /nfs/dbraw/zinc/67/47/57/500674757.db2.gz BMWHZRZSTOZUFE-LJQANCHMSA-N 1 2 350.890 3.213 20 30 FGEDLO O=C(NCC#Cc1ccccc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443545422 500735863 /nfs/dbraw/zinc/73/58/63/500735863.db2.gz ZGLRKVJNEZWLPQ-UHFFFAOYSA-N 1 2 367.880 3.049 20 30 FGEDLO O=C(NCC#Cc1ccccc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443545422 500735865 /nfs/dbraw/zinc/73/58/65/500735865.db2.gz ZGLRKVJNEZWLPQ-UHFFFAOYSA-N 1 2 367.880 3.049 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000438121612 500740674 /nfs/dbraw/zinc/74/06/74/500740674.db2.gz VIUINORKMQRTIT-YEJXKQKISA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000438121612 500740677 /nfs/dbraw/zinc/74/06/77/500740677.db2.gz VIUINORKMQRTIT-YEJXKQKISA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC12CCCC2 ZINC000448580345 500776338 /nfs/dbraw/zinc/77/63/38/500776338.db2.gz GHIMMJFPEDIZDO-HXUWFJFHSA-N 1 2 357.885 3.458 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448648769 500795117 /nfs/dbraw/zinc/79/51/17/500795117.db2.gz FERAQJJHDOKZKW-CQSZACIVSA-N 1 2 356.857 3.069 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722711 500887538 /nfs/dbraw/zinc/88/75/38/500887538.db2.gz INZBAYGKABSUAO-GXTWGEPZSA-N 1 2 364.314 3.295 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722711 500887540 /nfs/dbraw/zinc/88/75/40/500887540.db2.gz INZBAYGKABSUAO-GXTWGEPZSA-N 1 2 364.314 3.295 20 30 FGEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769024 500895786 /nfs/dbraw/zinc/89/57/86/500895786.db2.gz HASYNXXWFKQWAR-HNNXBMFYSA-N 1 2 374.916 3.171 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449015128 500897601 /nfs/dbraw/zinc/89/76/01/500897601.db2.gz SEAHPAXIJDWNCK-UHFFFAOYSA-N 1 2 353.445 3.331 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOCc1ccccc1 ZINC000439480938 500903991 /nfs/dbraw/zinc/90/39/91/500903991.db2.gz WWEIPUOYTQROLK-FQEVSTJZSA-N 1 2 352.434 3.311 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439480938 500903994 /nfs/dbraw/zinc/90/39/94/500903994.db2.gz WWEIPUOYTQROLK-FQEVSTJZSA-N 1 2 352.434 3.311 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccc2F)o1 ZINC000434979656 500918609 /nfs/dbraw/zinc/91/86/09/500918609.db2.gz VSSDCWCZXNCTHI-UHFFFAOYSA-N 1 2 357.429 3.134 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000449487942 501015052 /nfs/dbraw/zinc/01/50/52/501015052.db2.gz ZSQLQVUAYBWLRE-UHFFFAOYSA-N 1 2 366.259 3.046 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554186 501022369 /nfs/dbraw/zinc/02/23/69/501022369.db2.gz OFBFUXUKARHICS-WWMYMODYSA-N 1 2 353.466 3.166 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554186 501022371 /nfs/dbraw/zinc/02/23/71/501022371.db2.gz OFBFUXUKARHICS-WWMYMODYSA-N 1 2 353.466 3.166 20 30 FGEDLO CC[C@H](F)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000440794994 501048884 /nfs/dbraw/zinc/04/88/84/501048884.db2.gz SIWWYOQNGZIZAP-HOTGVXAUSA-N 1 2 354.267 3.379 20 30 FGEDLO CC[C@@H](F)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000440794993 501049295 /nfs/dbraw/zinc/04/92/95/501049295.db2.gz SIWWYOQNGZIZAP-CVEARBPZSA-N 1 2 354.267 3.379 20 30 FGEDLO Clc1ccccc1C#CCN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000441159997 501096284 /nfs/dbraw/zinc/09/62/84/501096284.db2.gz VGYAGQMHPKSVTQ-UHFFFAOYSA-N 1 2 364.880 3.157 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000588204637 506234496 /nfs/dbraw/zinc/23/44/96/506234496.db2.gz KVKPRPURNCFNAO-FQEVSTJZSA-N 1 2 368.456 3.229 20 30 FGEDLO C=CCOc1ccc(CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000449866339 501111810 /nfs/dbraw/zinc/11/18/10/501111810.db2.gz CPBYCYRUPXSGIY-IBGZPJMESA-N 1 2 374.431 3.491 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450410492 501114351 /nfs/dbraw/zinc/11/43/51/501114351.db2.gz VUVZFNGCSZZVBS-WMZOPIPTSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450410492 501114355 /nfs/dbraw/zinc/11/43/55/501114355.db2.gz VUVZFNGCSZZVBS-WMZOPIPTSA-N 1 2 374.847 3.255 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)[nH+]1 ZINC000450142640 501192590 /nfs/dbraw/zinc/19/25/90/501192590.db2.gz CWMOZIVXTHONTQ-CQSZACIVSA-N 1 2 368.824 3.215 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450234448 501216082 /nfs/dbraw/zinc/21/60/82/501216082.db2.gz SUFHNSYULPBUTP-SJORKVTESA-N 1 2 360.820 3.163 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450234448 501216083 /nfs/dbraw/zinc/21/60/83/501216083.db2.gz SUFHNSYULPBUTP-SJORKVTESA-N 1 2 360.820 3.163 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000450253814 501219769 /nfs/dbraw/zinc/21/97/69/501219769.db2.gz QEZZRQODIDRIKX-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO C=C(C)C[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)Cc1ccccc1 ZINC000450885981 501224170 /nfs/dbraw/zinc/22/41/70/501224170.db2.gz DISBNLAFJZPQNV-UHFFFAOYSA-N 1 2 351.410 3.114 20 30 FGEDLO C=C(C)C[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)Cc1ccccc1 ZINC000450885981 501224172 /nfs/dbraw/zinc/22/41/72/501224172.db2.gz DISBNLAFJZPQNV-UHFFFAOYSA-N 1 2 351.410 3.114 20 30 FGEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)CC1(C#N)CCC1 ZINC000450921747 501230055 /nfs/dbraw/zinc/23/00/55/501230055.db2.gz JZQYUJFHIFYPDC-UHFFFAOYSA-N 1 2 370.316 3.143 20 30 FGEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)CC1(C#N)CCC1 ZINC000450921747 501230057 /nfs/dbraw/zinc/23/00/57/501230057.db2.gz JZQYUJFHIFYPDC-UHFFFAOYSA-N 1 2 370.316 3.143 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000455270608 501259815 /nfs/dbraw/zinc/25/98/15/501259815.db2.gz DXNBYCDVKIGHHU-XYZCRZGXSA-N 1 2 352.482 3.109 20 30 FGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668741 501282367 /nfs/dbraw/zinc/28/23/67/501282367.db2.gz MEZBVOLLQKNAKU-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668741 501282370 /nfs/dbraw/zinc/28/23/70/501282370.db2.gz MEZBVOLLQKNAKU-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO COCCN(CC#N)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000453595262 501356781 /nfs/dbraw/zinc/35/67/81/501356781.db2.gz GVBAAUVGKQKHHV-UHFFFAOYSA-N 1 2 364.449 3.194 20 30 FGEDLO Cc1cc2ccc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000588247162 506248843 /nfs/dbraw/zinc/24/88/43/506248843.db2.gz CTZCBMWNGUHUJN-UHFFFAOYSA-N 1 2 358.445 3.077 20 30 FGEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451981879 501413112 /nfs/dbraw/zinc/41/31/12/501413112.db2.gz FHUCTNBTJZTHBC-SFHVURJKSA-N 1 2 373.453 3.012 20 30 FGEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451981879 501413114 /nfs/dbraw/zinc/41/31/14/501413114.db2.gz FHUCTNBTJZTHBC-SFHVURJKSA-N 1 2 373.453 3.012 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000455962867 501426791 /nfs/dbraw/zinc/42/67/91/501426791.db2.gz ARKUBAPHDNQCEN-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458573736 501477457 /nfs/dbraw/zinc/47/74/57/501477457.db2.gz AFFRRSLMUGBEPQ-CVEARBPZSA-N 1 2 366.868 3.463 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458573736 501477459 /nfs/dbraw/zinc/47/74/59/501477459.db2.gz AFFRRSLMUGBEPQ-CVEARBPZSA-N 1 2 366.868 3.463 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2[nH+]ccn21 ZINC000456389906 501515093 /nfs/dbraw/zinc/51/50/93/501515093.db2.gz QEIDQJVJJDMSHY-BBRMVZONSA-N 1 2 362.389 3.363 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2[nH+]ccn21 ZINC000456389908 501515285 /nfs/dbraw/zinc/51/52/85/501515285.db2.gz QEIDQJVJJDMSHY-CJNGLKHVSA-N 1 2 362.389 3.363 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000596101101 506258956 /nfs/dbraw/zinc/25/89/56/506258956.db2.gz ASGMMWRNXWPFSO-QAPCUYQASA-N 1 2 357.845 3.108 20 30 FGEDLO N#CCCC[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000458804465 501535085 /nfs/dbraw/zinc/53/50/85/501535085.db2.gz SPCLSXJTFHXHQU-LJQANCHMSA-N 1 2 363.465 3.348 20 30 FGEDLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459347009 501635980 /nfs/dbraw/zinc/63/59/80/501635980.db2.gz LJUQVIOZDKWUON-UHFFFAOYSA-N 1 2 373.384 3.133 20 30 FGEDLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459347009 501635984 /nfs/dbraw/zinc/63/59/84/501635984.db2.gz LJUQVIOZDKWUON-UHFFFAOYSA-N 1 2 373.384 3.133 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C#N)n2)cc1 ZINC000459471973 501659338 /nfs/dbraw/zinc/65/93/38/501659338.db2.gz WFAHJDJNRBUBCX-ZFWWWQNUSA-N 1 2 356.451 3.039 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000459642285 501691715 /nfs/dbraw/zinc/69/17/15/501691715.db2.gz ZDSBTLPLLHUVIG-JTQLQIEISA-N 1 2 360.870 3.446 20 30 FGEDLO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N ZINC000457441064 501698759 /nfs/dbraw/zinc/69/87/59/501698759.db2.gz AKEGFJHPQLARIF-IYBDPMFKSA-N 1 2 364.449 3.123 20 30 FGEDLO Cc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N ZINC000457441064 501698761 /nfs/dbraw/zinc/69/87/61/501698761.db2.gz AKEGFJHPQLARIF-IYBDPMFKSA-N 1 2 364.449 3.123 20 30 FGEDLO C=CCn1c(SCc2ccc3[nH]c(C)[nH+]c3c2)nnc1-c1cnccn1 ZINC000467204515 501736327 /nfs/dbraw/zinc/73/63/27/501736327.db2.gz DMWZABKJRHKRMU-UHFFFAOYSA-N 1 2 363.450 3.398 20 30 FGEDLO C=CCn1c(SCc2ccc3[nH+]c(C)[nH]c3c2)nnc1-c1cnccn1 ZINC000467204515 501736332 /nfs/dbraw/zinc/73/63/32/501736332.db2.gz DMWZABKJRHKRMU-UHFFFAOYSA-N 1 2 363.450 3.398 20 30 FGEDLO CCc1nnc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c(C#N)c1CC ZINC000467736069 501856207 /nfs/dbraw/zinc/85/62/07/501856207.db2.gz UFFSUXPZDHIPBD-ZIAGYGMSSA-N 1 2 366.469 3.225 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000588371722 506280216 /nfs/dbraw/zinc/28/02/16/506280216.db2.gz DJOVCVWBHOPNDA-QGZVFWFLSA-N 1 2 353.470 3.333 20 30 FGEDLO CCc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000596176513 506294849 /nfs/dbraw/zinc/29/48/49/506294849.db2.gz HNKCMYWMQQJOEX-QFBILLFUSA-N 1 2 371.872 3.048 20 30 FGEDLO CCc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000596176513 506294856 /nfs/dbraw/zinc/29/48/56/506294856.db2.gz HNKCMYWMQQJOEX-QFBILLFUSA-N 1 2 371.872 3.048 20 30 FGEDLO CCc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000596176514 506295193 /nfs/dbraw/zinc/29/51/93/506295193.db2.gz HNKCMYWMQQJOEX-VQIMIIECSA-N 1 2 371.872 3.048 20 30 FGEDLO CCc1nc(C#N)cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000596176514 506295199 /nfs/dbraw/zinc/29/51/99/506295199.db2.gz HNKCMYWMQQJOEX-VQIMIIECSA-N 1 2 371.872 3.048 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)c1C#N ZINC000471811002 502143756 /nfs/dbraw/zinc/14/37/56/502143756.db2.gz QIOYZVQTFRGEND-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662509 506297424 /nfs/dbraw/zinc/29/74/24/506297424.db2.gz AUVCTOJOQKGNQB-IEBWSBKVSA-N 1 2 363.889 3.302 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662509 506297428 /nfs/dbraw/zinc/29/74/28/506297428.db2.gz AUVCTOJOQKGNQB-IEBWSBKVSA-N 1 2 363.889 3.302 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnccc1C ZINC000483015164 502245673 /nfs/dbraw/zinc/24/56/73/502245673.db2.gz IWGYVWDXUFPSNM-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnccc1C ZINC000483015164 502245675 /nfs/dbraw/zinc/24/56/75/502245675.db2.gz IWGYVWDXUFPSNM-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000602795953 506304189 /nfs/dbraw/zinc/30/41/89/506304189.db2.gz PGFQIJWXRKAYGQ-PFRQMTDMSA-N 1 2 370.497 3.452 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000602795953 506304192 /nfs/dbraw/zinc/30/41/92/506304192.db2.gz PGFQIJWXRKAYGQ-PFRQMTDMSA-N 1 2 370.497 3.452 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC(F)F)c1C#N ZINC000472259150 502287435 /nfs/dbraw/zinc/28/74/35/502287435.db2.gz ODKOSUQFPVKLFW-UHFFFAOYSA-N 1 2 364.396 3.143 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CC(F)F)c1C#N ZINC000472259150 502287439 /nfs/dbraw/zinc/28/74/39/502287439.db2.gz ODKOSUQFPVKLFW-UHFFFAOYSA-N 1 2 364.396 3.143 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc(OC)c1O ZINC000483437643 502392285 /nfs/dbraw/zinc/39/22/85/502392285.db2.gz KZRZQSOQJNCRHS-FQEVSTJZSA-N 1 2 369.461 3.409 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc(OC)c1O ZINC000483437643 502392291 /nfs/dbraw/zinc/39/22/91/502392291.db2.gz KZRZQSOQJNCRHS-FQEVSTJZSA-N 1 2 369.461 3.409 20 30 FGEDLO C[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000462335510 502397544 /nfs/dbraw/zinc/39/75/44/502397544.db2.gz YATQPODIXHAKBF-HNNXBMFYSA-N 1 2 367.880 3.490 20 30 FGEDLO C[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000462335510 502397546 /nfs/dbraw/zinc/39/75/46/502397546.db2.gz YATQPODIXHAKBF-HNNXBMFYSA-N 1 2 367.880 3.490 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000469401389 502401489 /nfs/dbraw/zinc/40/14/89/502401489.db2.gz GVFPDBIGLRKEBN-QMTMVMCOSA-N 1 2 364.436 3.027 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000469401389 502401495 /nfs/dbraw/zinc/40/14/95/502401495.db2.gz GVFPDBIGLRKEBN-QMTMVMCOSA-N 1 2 364.436 3.027 20 30 FGEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583651 502484594 /nfs/dbraw/zinc/48/45/94/502484594.db2.gz MMNCMDUQGKOWLF-FGZHOGPDSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583651 502484599 /nfs/dbraw/zinc/48/45/99/502484599.db2.gz MMNCMDUQGKOWLF-FGZHOGPDSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000466802830 502684675 /nfs/dbraw/zinc/68/46/75/502684675.db2.gz QCXXZCGJMZPZHM-WBVHZDCISA-N 1 2 355.404 3.457 20 30 FGEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000466802830 502684677 /nfs/dbraw/zinc/68/46/77/502684677.db2.gz QCXXZCGJMZPZHM-WBVHZDCISA-N 1 2 355.404 3.457 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000477140823 502689494 /nfs/dbraw/zinc/68/94/94/502689494.db2.gz RCZMIKUKGZEJPV-UHFFFAOYSA-N 1 2 365.477 3.154 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000463168177 502710470 /nfs/dbraw/zinc/71/04/70/502710470.db2.gz GMIMSPNWOWCDFD-GFCCVEGCSA-N 1 2 360.870 3.187 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858049 506329591 /nfs/dbraw/zinc/32/95/91/506329591.db2.gz YCKWLORZEBQERP-FGTMMUONSA-N 1 2 356.514 3.364 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858049 506329596 /nfs/dbraw/zinc/32/95/96/506329596.db2.gz YCKWLORZEBQERP-FGTMMUONSA-N 1 2 356.514 3.364 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000477358597 502753582 /nfs/dbraw/zinc/75/35/82/502753582.db2.gz ADNZDTHSARAJPS-UHFFFAOYSA-N 1 2 360.417 3.399 20 30 FGEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463376663 502775055 /nfs/dbraw/zinc/77/50/55/502775055.db2.gz RBYPYSLDDAPPNI-UHFFFAOYSA-N 1 2 370.280 3.185 20 30 FGEDLO C=CCCCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000474085162 502803800 /nfs/dbraw/zinc/80/38/00/502803800.db2.gz VBIXODKJKSWPFR-IBGZPJMESA-N 1 2 359.514 3.275 20 30 FGEDLO COc1ccc([C@@H](NC(=O)c2cccc(C#N)c2C)c2[nH+]ccn2C)cc1 ZINC000509109533 502823317 /nfs/dbraw/zinc/82/33/17/502823317.db2.gz QGFYMSBHZSFLAU-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO C=CCc1cc(C[NH2+]CC(F)(F)c2cccc(OC)n2)cc(OC)c1O ZINC000513036960 502835289 /nfs/dbraw/zinc/83/52/89/502835289.db2.gz PNKGAEOVDOASTP-UHFFFAOYSA-N 1 2 364.392 3.415 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000505000471 502837646 /nfs/dbraw/zinc/83/76/46/502837646.db2.gz FKKXLOPAYDFRHF-LJQANCHMSA-N 1 2 356.514 3.049 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882988 506337669 /nfs/dbraw/zinc/33/76/69/506337669.db2.gz VPKVZIVKFRNSNO-PBHICJAKSA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882988 506337676 /nfs/dbraw/zinc/33/76/76/506337676.db2.gz VPKVZIVKFRNSNO-PBHICJAKSA-N 1 2 369.494 3.437 20 30 FGEDLO Cc1cncc(-c2nc(C[NH+]3CCC(Nc4ccccc4C#N)CC3)no2)c1 ZINC000602902006 506342825 /nfs/dbraw/zinc/34/28/25/506342825.db2.gz UPIOERYYCVTWEY-UHFFFAOYSA-N 1 2 374.448 3.388 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000509818631 502992459 /nfs/dbraw/zinc/99/24/59/502992459.db2.gz INCNWVWPKQVPCO-ZDUSSCGKSA-N 1 2 355.276 3.456 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000509818631 502992462 /nfs/dbraw/zinc/99/24/62/502992462.db2.gz INCNWVWPKQVPCO-ZDUSSCGKSA-N 1 2 355.276 3.456 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489696046 503013104 /nfs/dbraw/zinc/01/31/04/503013104.db2.gz IINHYBCEBWOJBI-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489696046 503013107 /nfs/dbraw/zinc/01/31/07/503013107.db2.gz IINHYBCEBWOJBI-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCn1cccc1C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000489986705 503082861 /nfs/dbraw/zinc/08/28/61/503082861.db2.gz BZEZAYJIQCWKTP-LJQANCHMSA-N 1 2 367.493 3.037 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000514152343 503100949 /nfs/dbraw/zinc/10/09/49/503100949.db2.gz ULGAZHMCAZBCKK-KRWDZBQOSA-N 1 2 351.450 3.165 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643223 503162978 /nfs/dbraw/zinc/16/29/78/503162978.db2.gz FEXGXJNDCYTEQC-VQTJNVASSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643223 503162982 /nfs/dbraw/zinc/16/29/82/503162982.db2.gz FEXGXJNDCYTEQC-VQTJNVASSA-N 1 2 352.482 3.033 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000602926914 506356613 /nfs/dbraw/zinc/35/66/13/506356613.db2.gz UEIQDVJSFQLNCW-UHFFFAOYSA-N 1 2 359.861 3.115 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000602926914 506356621 /nfs/dbraw/zinc/35/66/21/506356621.db2.gz UEIQDVJSFQLNCW-UHFFFAOYSA-N 1 2 359.861 3.115 20 30 FGEDLO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(F)(C#N)CC3)c2)cs1 ZINC000510937429 503220849 /nfs/dbraw/zinc/22/08/49/503220849.db2.gz XWVTYCUFOUBEQK-UHFFFAOYSA-N 1 2 358.442 3.385 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510939738 503222174 /nfs/dbraw/zinc/22/21/74/503222174.db2.gz ZKKPZUCWBJRVPY-GFCCVEGCSA-N 1 2 355.816 3.154 20 30 FGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000502920878 503308493 /nfs/dbraw/zinc/30/84/93/503308493.db2.gz UIJVOECJAAJCPD-NRFANRHFSA-N 1 2 351.425 3.054 20 30 FGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000502920878 503308496 /nfs/dbraw/zinc/30/84/96/503308496.db2.gz UIJVOECJAAJCPD-NRFANRHFSA-N 1 2 351.425 3.054 20 30 FGEDLO CSc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000515435278 503337614 /nfs/dbraw/zinc/33/76/14/503337614.db2.gz NLZCSCASBAYXDD-UHFFFAOYSA-N 1 2 366.490 3.299 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1OC ZINC000503084001 503343229 /nfs/dbraw/zinc/34/32/29/503343229.db2.gz JTZFJCPMRBEWHQ-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1OC ZINC000503084001 503343237 /nfs/dbraw/zinc/34/32/37/503343237.db2.gz JTZFJCPMRBEWHQ-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796444 503389730 /nfs/dbraw/zinc/38/97/30/503389730.db2.gz KZASDWMGJVPCBZ-YJBOKZPZSA-N 1 2 351.853 3.500 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796444 503389733 /nfs/dbraw/zinc/38/97/33/503389733.db2.gz KZASDWMGJVPCBZ-YJBOKZPZSA-N 1 2 351.853 3.500 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccc(CO)o1 ZINC000512171575 503476439 /nfs/dbraw/zinc/47/64/39/503476439.db2.gz XLCLXQSCPVKVFS-INIZCTEOSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccc(CO)o1 ZINC000512171575 503476442 /nfs/dbraw/zinc/47/64/42/503476442.db2.gz XLCLXQSCPVKVFS-INIZCTEOSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512182474 503479667 /nfs/dbraw/zinc/47/96/67/503479667.db2.gz SMKVSXDNPLVRCK-UHFFFAOYSA-N 1 2 362.857 3.120 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512182474 503479669 /nfs/dbraw/zinc/47/96/69/503479669.db2.gz SMKVSXDNPLVRCK-UHFFFAOYSA-N 1 2 362.857 3.120 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000512227845 503492108 /nfs/dbraw/zinc/49/21/08/503492108.db2.gz NPIGTKPDFZHAIB-HYXAFXHYSA-N 1 2 366.396 3.441 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279377 503518617 /nfs/dbraw/zinc/51/86/17/503518617.db2.gz JZAPMOAUAFDSQT-GFCCVEGCSA-N 1 2 370.266 3.028 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279377 503518620 /nfs/dbraw/zinc/51/86/20/503518620.db2.gz JZAPMOAUAFDSQT-GFCCVEGCSA-N 1 2 370.266 3.028 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000512531578 503578520 /nfs/dbraw/zinc/57/85/20/503578520.db2.gz HHBUDBOQPYHDNG-YLJYHZDGSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000512531578 503578523 /nfs/dbraw/zinc/57/85/23/503578523.db2.gz HHBUDBOQPYHDNG-YLJYHZDGSA-N 1 2 359.518 3.285 20 30 FGEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508880542 503586862 /nfs/dbraw/zinc/58/68/62/503586862.db2.gz LLULICVIJJWIQV-MRXNPFEDSA-N 1 2 374.558 3.392 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2n1C ZINC000516992150 503639221 /nfs/dbraw/zinc/63/92/21/503639221.db2.gz BXPPKGLOBVKOBR-UHFFFAOYSA-N 1 2 362.433 3.042 20 30 FGEDLO Cc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCOCC2)s1 ZINC000512826960 503640933 /nfs/dbraw/zinc/64/09/33/503640933.db2.gz JBFUBZLIXJOXJC-GOSISDBHSA-N 1 2 369.490 3.040 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cc(F)ccc3OC)CC2)cc1C#N ZINC000533079797 503723929 /nfs/dbraw/zinc/72/39/29/503723929.db2.gz LMUUQKRPKKSDFV-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3cc(F)ccc3OC)CC2)cc1C#N ZINC000533079797 503723936 /nfs/dbraw/zinc/72/39/36/503723936.db2.gz LMUUQKRPKKSDFV-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000533359018 503817398 /nfs/dbraw/zinc/81/73/98/503817398.db2.gz VHIZIDLVUDXRLJ-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO COc1cc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)n1 ZINC000543780479 503889210 /nfs/dbraw/zinc/88/92/10/503889210.db2.gz BCGQLDGMHKDMIP-UHFFFAOYSA-N 1 2 354.429 3.040 20 30 FGEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000533606888 503901428 /nfs/dbraw/zinc/90/14/28/503901428.db2.gz PYBFUDICBIJLTQ-KRWDZBQOSA-N 1 2 372.490 3.042 20 30 FGEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000533606888 503901431 /nfs/dbraw/zinc/90/14/31/503901431.db2.gz PYBFUDICBIJLTQ-KRWDZBQOSA-N 1 2 372.490 3.042 20 30 FGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546921546 503927239 /nfs/dbraw/zinc/92/72/39/503927239.db2.gz PAEGLGDHHUNISI-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000533750229 503941703 /nfs/dbraw/zinc/94/17/03/503941703.db2.gz SFONQGZMUMBDTD-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)CC1 ZINC000537585343 503963623 /nfs/dbraw/zinc/96/36/23/503963623.db2.gz ZEZGTFITRLQBDB-UHFFFAOYSA-N 1 2 368.868 3.211 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683303 504004704 /nfs/dbraw/zinc/00/47/04/504004704.db2.gz IHIHXVJYLAFUFU-GJZGRUSLSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683303 504004706 /nfs/dbraw/zinc/00/47/06/504004706.db2.gz IHIHXVJYLAFUFU-GJZGRUSLSA-N 1 2 351.425 3.321 20 30 FGEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000538150758 504147047 /nfs/dbraw/zinc/14/70/47/504147047.db2.gz LMJFNCDKPLYXSP-WBVHZDCISA-N 1 2 359.376 3.427 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C#N ZINC000534469666 504150960 /nfs/dbraw/zinc/15/09/60/504150960.db2.gz LBHVKCSCSKIGPB-PTFIGZPYSA-N 1 2 370.474 3.275 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C#N ZINC000534469666 504150964 /nfs/dbraw/zinc/15/09/64/504150964.db2.gz LBHVKCSCSKIGPB-PTFIGZPYSA-N 1 2 370.474 3.275 20 30 FGEDLO COCC[N@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccc(F)cc1Cl ZINC000519156810 504153347 /nfs/dbraw/zinc/15/33/47/504153347.db2.gz PCKHBMBBJXOEPJ-UHFFFAOYSA-N 1 2 373.819 3.042 20 30 FGEDLO COCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccc(F)cc1Cl ZINC000519156810 504153352 /nfs/dbraw/zinc/15/33/52/504153352.db2.gz PCKHBMBBJXOEPJ-UHFFFAOYSA-N 1 2 373.819 3.042 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000541553796 504174123 /nfs/dbraw/zinc/17/41/23/504174123.db2.gz WELUAAMXPIZQJG-KSZLIROESA-N 1 2 365.905 3.366 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000541553796 504174130 /nfs/dbraw/zinc/17/41/30/504174130.db2.gz WELUAAMXPIZQJG-KSZLIROESA-N 1 2 365.905 3.366 20 30 FGEDLO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000519669442 504296125 /nfs/dbraw/zinc/29/61/25/504296125.db2.gz RBRGLFTXAOBAHO-UHFFFAOYSA-N 1 2 366.812 3.365 20 30 FGEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)c1 ZINC000538603125 504300272 /nfs/dbraw/zinc/30/02/72/504300272.db2.gz JIIDRLYASRIMEV-FQEVSTJZSA-N 1 2 366.442 3.434 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000538749822 504357109 /nfs/dbraw/zinc/35/71/09/504357109.db2.gz HTAQNBHAWXAWNZ-CQSZACIVSA-N 1 2 357.841 3.080 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000538749822 504357115 /nfs/dbraw/zinc/35/71/15/504357115.db2.gz HTAQNBHAWXAWNZ-CQSZACIVSA-N 1 2 357.841 3.080 20 30 FGEDLO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cn1 ZINC000528847756 504413093 /nfs/dbraw/zinc/41/30/93/504413093.db2.gz OBQIWIDSEXBXNS-IBGZPJMESA-N 1 2 361.405 3.253 20 30 FGEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000535371446 504416469 /nfs/dbraw/zinc/41/64/69/504416469.db2.gz BTCVEHSPPFVOMY-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000535382095 504420261 /nfs/dbraw/zinc/42/02/61/504420261.db2.gz OMGAIPDOZSMEQR-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000535382095 504420267 /nfs/dbraw/zinc/42/02/67/504420267.db2.gz OMGAIPDOZSMEQR-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548492929 504466567 /nfs/dbraw/zinc/46/65/67/504466567.db2.gz KZYNVKYBLMJPRZ-AOMKIAJQSA-N 1 2 361.445 3.407 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548492929 504466571 /nfs/dbraw/zinc/46/65/71/504466571.db2.gz KZYNVKYBLMJPRZ-AOMKIAJQSA-N 1 2 361.445 3.407 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000548630948 504502513 /nfs/dbraw/zinc/50/25/13/504502513.db2.gz VLZUNDFASFDEFN-UHFFFAOYSA-N 1 2 364.836 3.041 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C(C)C)C2COC2)c1C#N ZINC000520508105 504515229 /nfs/dbraw/zinc/51/52/29/504515229.db2.gz MWMUCYZVJFRBNE-UHFFFAOYSA-N 1 2 358.486 3.139 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C(C)C)C2COC2)c1C#N ZINC000520508105 504515233 /nfs/dbraw/zinc/51/52/33/504515233.db2.gz MWMUCYZVJFRBNE-UHFFFAOYSA-N 1 2 358.486 3.139 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000535781493 504542177 /nfs/dbraw/zinc/54/21/77/504542177.db2.gz IPCCHBVCLCHWCP-UHFFFAOYSA-N 1 2 363.490 3.328 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)OCC ZINC000535889465 504573470 /nfs/dbraw/zinc/57/34/70/504573470.db2.gz MSLUDZQOUKCVLH-SFHVURJKSA-N 1 2 350.528 3.326 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000539461807 504580022 /nfs/dbraw/zinc/58/00/22/504580022.db2.gz ZGALJDSDJGVZQZ-IAGOWNOFSA-N 1 2 364.559 3.081 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913432 504581958 /nfs/dbraw/zinc/58/19/58/504581958.db2.gz HKQGPHDVIURTSW-BEFAXECRSA-N 1 2 366.452 3.417 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913432 504581962 /nfs/dbraw/zinc/58/19/62/504581962.db2.gz HKQGPHDVIURTSW-BEFAXECRSA-N 1 2 366.452 3.417 20 30 FGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000548915324 504617849 /nfs/dbraw/zinc/61/78/49/504617849.db2.gz ZEAMQQJLVCSNPA-UHFFFAOYSA-N 1 2 351.907 3.064 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CC#N)CC3)n2)cc1 ZINC000542883067 504645924 /nfs/dbraw/zinc/64/59/24/504645924.db2.gz IEOFFWFNLTYYGO-UHFFFAOYSA-N 1 2 370.478 3.383 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000546004917 504671855 /nfs/dbraw/zinc/67/18/55/504671855.db2.gz YEQHIANVCLMSTQ-LJQANCHMSA-N 1 2 367.474 3.295 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000539819555 504700470 /nfs/dbraw/zinc/70/04/70/504700470.db2.gz HOKAKNDDMBUDPD-PUAOIOHZSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000539819555 504700478 /nfs/dbraw/zinc/70/04/78/504700478.db2.gz HOKAKNDDMBUDPD-PUAOIOHZSA-N 1 2 354.475 3.090 20 30 FGEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000521619197 504765098 /nfs/dbraw/zinc/76/50/98/504765098.db2.gz CKMBCUXNUQBZBD-UHFFFAOYSA-N 1 2 350.353 3.153 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000532909110 504772517 /nfs/dbraw/zinc/77/25/17/504772517.db2.gz VWGGZQFCUYFIEX-SFHVURJKSA-N 1 2 369.534 3.473 20 30 FGEDLO COc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1OCCCC#N ZINC000553282785 504873033 /nfs/dbraw/zinc/87/30/33/504873033.db2.gz PORXRCLWRDZLLJ-UHFFFAOYSA-N 1 2 366.465 3.407 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000553616173 504964069 /nfs/dbraw/zinc/96/40/69/504964069.db2.gz XYNCHTWEYQBPOI-LBPRGKRZSA-N 1 2 357.907 3.260 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000553616173 504964073 /nfs/dbraw/zinc/96/40/73/504964073.db2.gz XYNCHTWEYQBPOI-LBPRGKRZSA-N 1 2 357.907 3.260 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000565707035 504965171 /nfs/dbraw/zinc/96/51/71/504965171.db2.gz GRHJFXFSXYULSK-LPHOPBHVSA-N 1 2 363.465 3.046 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000565707035 504965173 /nfs/dbraw/zinc/96/51/73/504965173.db2.gz GRHJFXFSXYULSK-LPHOPBHVSA-N 1 2 363.465 3.046 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000565707036 504965212 /nfs/dbraw/zinc/96/52/12/504965212.db2.gz GRHJFXFSXYULSK-QFBILLFUSA-N 1 2 363.465 3.046 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000565707036 504965213 /nfs/dbraw/zinc/96/52/13/504965213.db2.gz GRHJFXFSXYULSK-QFBILLFUSA-N 1 2 363.465 3.046 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560337741 505050082 /nfs/dbraw/zinc/05/00/82/505050082.db2.gz LASBKUYDULGEKX-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560337741 505050085 /nfs/dbraw/zinc/05/00/85/505050085.db2.gz LASBKUYDULGEKX-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO C[C@H](Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000563220008 505079725 /nfs/dbraw/zinc/07/97/25/505079725.db2.gz DEMPTYGEPIHXGC-KKSFZXQISA-N 1 2 351.450 3.400 20 30 FGEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000557347446 505112611 /nfs/dbraw/zinc/11/26/11/505112611.db2.gz GPMBMPVEJWVCMN-UHFFFAOYSA-N 1 2 350.890 3.275 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000554453636 505178136 /nfs/dbraw/zinc/17/81/36/505178136.db2.gz DBVJBYXELVWYJK-UHFFFAOYSA-N 1 2 354.410 3.338 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000560975407 505220384 /nfs/dbraw/zinc/22/03/84/505220384.db2.gz YGUIHLFGKNKMBK-QZTJIDSGSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000560975407 505220389 /nfs/dbraw/zinc/22/03/89/505220389.db2.gz YGUIHLFGKNKMBK-QZTJIDSGSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc(C#N)cn2)c1 ZINC000566776146 505269523 /nfs/dbraw/zinc/26/95/23/505269523.db2.gz IRXAOKHEBFUNAP-UHFFFAOYSA-N 1 2 351.797 3.485 20 30 FGEDLO Cc1cc(C#N)nc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)n1 ZINC000561193289 505276876 /nfs/dbraw/zinc/27/68/76/505276876.db2.gz JBAXKIHFZMOTPO-UHFFFAOYSA-N 1 2 350.451 3.489 20 30 FGEDLO Cc1cc(C#N)nc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1 ZINC000561193289 505276879 /nfs/dbraw/zinc/27/68/79/505276879.db2.gz JBAXKIHFZMOTPO-UHFFFAOYSA-N 1 2 350.451 3.489 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000561214671 505283443 /nfs/dbraw/zinc/28/34/43/505283443.db2.gz BXLXEWITRUBIBB-UHFFFAOYSA-N 1 2 353.422 3.035 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000564054861 505312713 /nfs/dbraw/zinc/31/27/13/505312713.db2.gz TXERUYQGHQZKIE-MNOVXSKESA-N 1 2 373.482 3.115 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000558249569 505343963 /nfs/dbraw/zinc/34/39/63/505343963.db2.gz JUVSDTJFGQCOSE-UHFFFAOYSA-N 1 2 363.373 3.064 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@H]2C1 ZINC000555091744 505347528 /nfs/dbraw/zinc/34/75/28/505347528.db2.gz FYHBBVLMWAKGDQ-PVAVHDDUSA-N 1 2 354.372 3.345 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@H]2C1 ZINC000555091744 505347532 /nfs/dbraw/zinc/34/75/32/505347532.db2.gz FYHBBVLMWAKGDQ-PVAVHDDUSA-N 1 2 354.372 3.345 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000555523849 505445813 /nfs/dbraw/zinc/44/58/13/505445813.db2.gz HNIYNJZYNNGUPP-UHFFFAOYSA-N 1 2 371.368 3.355 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000552434925 505491349 /nfs/dbraw/zinc/49/13/49/505491349.db2.gz HKTJRESRIGCDAC-CQSZACIVSA-N 1 2 357.454 3.207 20 30 FGEDLO C=CCCOCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000555742208 505505577 /nfs/dbraw/zinc/50/55/77/505505577.db2.gz LVYZMUQYPHQBLP-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CCCOCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000555742208 505505582 /nfs/dbraw/zinc/50/55/82/505505582.db2.gz LVYZMUQYPHQBLP-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000555751776 505507500 /nfs/dbraw/zinc/50/75/00/505507500.db2.gz MHFCFTUTZOVZJJ-LBPRGKRZSA-N 1 2 358.423 3.000 20 30 FGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000555751776 505507504 /nfs/dbraw/zinc/50/75/04/505507504.db2.gz MHFCFTUTZOVZJJ-LBPRGKRZSA-N 1 2 358.423 3.000 20 30 FGEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794480 505516159 /nfs/dbraw/zinc/51/61/59/505516159.db2.gz XTQWDCBCOMXDGR-CJNGLKHVSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794480 505516160 /nfs/dbraw/zinc/51/61/60/505516160.db2.gz XTQWDCBCOMXDGR-CJNGLKHVSA-N 1 2 361.511 3.182 20 30 FGEDLO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558980159 505544435 /nfs/dbraw/zinc/54/44/35/505544435.db2.gz VKFAPHIAZOHLPG-UHFFFAOYSA-N 1 2 366.513 3.309 20 30 FGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000559034804 505555116 /nfs/dbraw/zinc/55/51/16/505555116.db2.gz RANZMVZCMXXCPZ-KGLIPLIRSA-N 1 2 351.372 3.155 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362886 506428009 /nfs/dbraw/zinc/42/80/09/506428009.db2.gz RGVMQGRBOANPAY-RDJZCZTQSA-N 1 2 362.271 3.328 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362886 506428011 /nfs/dbraw/zinc/42/80/11/506428011.db2.gz RGVMQGRBOANPAY-RDJZCZTQSA-N 1 2 362.271 3.328 20 30 FGEDLO N#CCCN1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000612110151 506440850 /nfs/dbraw/zinc/44/08/50/506440850.db2.gz LVZBQASKTFICNV-UHFFFAOYSA-N 1 2 359.271 3.029 20 30 FGEDLO Cc1cc(N2C[C@@H](C)OC(C)(C)C2)c(C#N)c(N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC000589108588 506444436 /nfs/dbraw/zinc/44/44/36/506444436.db2.gz GFGZLAMLJIDGDX-CVEARBPZSA-N 1 2 372.513 3.269 20 30 FGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000589164052 506466292 /nfs/dbraw/zinc/46/62/92/506466292.db2.gz NEOAINSXNZPABW-ZBFHGGJFSA-N 1 2 355.438 3.339 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162799 506466622 /nfs/dbraw/zinc/46/66/22/506466622.db2.gz MRRWCPLSKLLRDM-SCLBCKFNSA-N 1 2 351.853 3.452 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162799 506466626 /nfs/dbraw/zinc/46/66/26/506466626.db2.gz MRRWCPLSKLLRDM-SCLBCKFNSA-N 1 2 351.853 3.452 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593294715 506520145 /nfs/dbraw/zinc/52/01/45/506520145.db2.gz HRYPSMSBLCTBQT-UHFFFAOYSA-N 1 2 359.433 3.332 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000603558311 506554566 /nfs/dbraw/zinc/55/45/66/506554566.db2.gz YZSMSWOPUPHOCW-HNNXBMFYSA-N 1 2 362.433 3.190 20 30 FGEDLO CCc1cccc(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000603590476 506567522 /nfs/dbraw/zinc/56/75/22/506567522.db2.gz ONKOCYYBZZWDNW-UHFFFAOYSA-N 1 2 366.465 3.187 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596737036 506569609 /nfs/dbraw/zinc/56/96/09/506569609.db2.gz YMACAOYIIUZSEX-HOTGVXAUSA-N 1 2 374.510 3.019 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677811 506574486 /nfs/dbraw/zinc/57/44/86/506574486.db2.gz OIJVYRWNQWKMQZ-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677811 506574492 /nfs/dbraw/zinc/57/44/92/506574492.db2.gz OIJVYRWNQWKMQZ-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000589517532 506575610 /nfs/dbraw/zinc/57/56/10/506575610.db2.gz JOPBOEBSGKAAIC-HNNXBMFYSA-N 1 2 356.495 3.120 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000589517532 506575613 /nfs/dbraw/zinc/57/56/13/506575613.db2.gz JOPBOEBSGKAAIC-HNNXBMFYSA-N 1 2 356.495 3.120 20 30 FGEDLO COc1ccc2[nH+]c(N3CCN(c4snc(C)c4C#N)CC3)ccc2c1 ZINC000589604740 506600092 /nfs/dbraw/zinc/60/00/92/506600092.db2.gz ANICTEAXAUZJDD-UHFFFAOYSA-N 1 2 365.462 3.207 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c1 ZINC000593426781 506613967 /nfs/dbraw/zinc/61/39/67/506613967.db2.gz DBYWYUGYEAXLRI-KRWDZBQOSA-N 1 2 370.497 3.167 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3cc(F)c(C#N)c(F)c3)c[nH+]2)CC1 ZINC000596819516 506617437 /nfs/dbraw/zinc/61/74/37/506617437.db2.gz IOMZPXVMDZRINS-UHFFFAOYSA-N 1 2 370.403 3.398 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000612543697 506617708 /nfs/dbraw/zinc/61/77/08/506617708.db2.gz RNUOJQBWBBTYII-CABCVRRESA-N 1 2 351.454 3.258 20 30 FGEDLO COc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)cc1C#N ZINC000599819120 506655433 /nfs/dbraw/zinc/65/54/33/506655433.db2.gz GAZYBYMFTKMZAF-UHFFFAOYSA-N 1 2 374.441 3.117 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)cc1 ZINC000583436521 506778374 /nfs/dbraw/zinc/77/83/74/506778374.db2.gz LJAJYTPMFANECK-INIZCTEOSA-N 1 2 366.795 3.333 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131839 506785689 /nfs/dbraw/zinc/78/56/89/506785689.db2.gz YMYPJNWJBGKFAA-HKUYNNGSSA-N 1 2 352.438 3.022 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC[C@H](OC)C1 ZINC000597157623 506804433 /nfs/dbraw/zinc/80/44/33/506804433.db2.gz PLZURAYBSACVGV-YTQUADARSA-N 1 2 356.466 3.078 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000593967402 506855821 /nfs/dbraw/zinc/85/58/21/506855821.db2.gz VJVDZHFHRALGMO-KRWDZBQOSA-N 1 2 363.461 3.208 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)nc1 ZINC000593992325 506870549 /nfs/dbraw/zinc/87/05/49/506870549.db2.gz DCHWEDSTTOEBQD-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)nc1 ZINC000593992325 506870552 /nfs/dbraw/zinc/87/05/52/506870552.db2.gz DCHWEDSTTOEBQD-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO CN(C(=O)C[NH2+][C@H](Cc1ccccc1)c1ncco1)C1(C#N)CCCCC1 ZINC000594056122 506911363 /nfs/dbraw/zinc/91/13/63/506911363.db2.gz QTGBOVXVHDSXCE-GOSISDBHSA-N 1 2 366.465 3.233 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCCC2)O1 ZINC000594059740 506913921 /nfs/dbraw/zinc/91/39/21/506913921.db2.gz ZNDLMRBEPYUGAG-SFHVURJKSA-N 1 2 355.482 3.357 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCCC2)O1 ZINC000594059740 506913925 /nfs/dbraw/zinc/91/39/25/506913925.db2.gz ZNDLMRBEPYUGAG-SFHVURJKSA-N 1 2 355.482 3.357 20 30 FGEDLO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CC#N)C2=O)ccc1Br ZINC000613261891 506998466 /nfs/dbraw/zinc/99/84/66/506998466.db2.gz RGFWVHIJWIYJOG-DOMZBBRYSA-N 1 2 350.260 3.145 20 30 FGEDLO Cc1nc(N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000613265949 506999166 /nfs/dbraw/zinc/99/91/66/506999166.db2.gz ZYRQVIANODHIRT-FQEVSTJZSA-N 1 2 365.456 3.190 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000594293381 507067857 /nfs/dbraw/zinc/06/78/57/507067857.db2.gz SJWBIZGDVHEAHB-KUHUBIRLSA-N 1 2 371.431 3.434 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000610542525 507282154 /nfs/dbraw/zinc/28/21/54/507282154.db2.gz GPNYYXKQPSLMMU-OAHLLOKOSA-N 1 2 369.494 3.153 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000610542525 507282155 /nfs/dbraw/zinc/28/21/55/507282155.db2.gz GPNYYXKQPSLMMU-OAHLLOKOSA-N 1 2 369.494 3.153 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610594191 507310147 /nfs/dbraw/zinc/31/01/47/507310147.db2.gz YHLLPEKVZUSTRF-FCHUYYIVSA-N 1 2 374.488 3.484 20 30 FGEDLO C=CCCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000594939927 507322642 /nfs/dbraw/zinc/32/26/42/507322642.db2.gz VNBHQZHEVHVABW-UHFFFAOYSA-N 1 2 355.320 3.071 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000610944412 507449722 /nfs/dbraw/zinc/44/97/22/507449722.db2.gz BEKCGWFBAVOOEC-LJQANCHMSA-N 1 2 364.449 3.344 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000610944412 507449729 /nfs/dbraw/zinc/44/97/29/507449729.db2.gz BEKCGWFBAVOOEC-LJQANCHMSA-N 1 2 364.449 3.344 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000595613260 507591077 /nfs/dbraw/zinc/59/10/77/507591077.db2.gz BPDWANYUTKQIFW-NSHDSACASA-N 1 2 350.344 3.480 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000595613260 507591085 /nfs/dbraw/zinc/59/10/85/507591085.db2.gz BPDWANYUTKQIFW-NSHDSACASA-N 1 2 350.344 3.480 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602165438 507611635 /nfs/dbraw/zinc/61/16/35/507611635.db2.gz FJZBRTDTGCUFOE-IIBYNOLFSA-N 1 2 363.461 3.361 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602165438 507611643 /nfs/dbraw/zinc/61/16/43/507611643.db2.gz FJZBRTDTGCUFOE-IIBYNOLFSA-N 1 2 363.461 3.361 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611356768 507641904 /nfs/dbraw/zinc/64/19/04/507641904.db2.gz MJADWLUXJDJMOW-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611356768 507641912 /nfs/dbraw/zinc/64/19/12/507641912.db2.gz MJADWLUXJDJMOW-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000595758798 507670853 /nfs/dbraw/zinc/67/08/53/507670853.db2.gz GQVFPTJTNLXATG-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000595758798 507670857 /nfs/dbraw/zinc/67/08/57/507670857.db2.gz GQVFPTJTNLXATG-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(F)(F)F)cs1 ZINC000592504929 507684647 /nfs/dbraw/zinc/68/46/47/507684647.db2.gz DQHKSWNTPMXCAG-LLVKDONJSA-N 1 2 366.372 3.317 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830372 507705083 /nfs/dbraw/zinc/70/50/83/507705083.db2.gz UHVPWQBJYYMXGW-YLVFBTJISA-N 1 2 372.296 3.059 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000587137577 507706556 /nfs/dbraw/zinc/70/65/56/507706556.db2.gz UQVHTRLQWUFWIE-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595838685 507708525 /nfs/dbraw/zinc/70/85/25/507708525.db2.gz CVKCYRBYWDLLCS-ZHRRBRCNSA-N 1 2 365.477 3.431 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595838685 507708529 /nfs/dbraw/zinc/70/85/29/507708529.db2.gz CVKCYRBYWDLLCS-ZHRRBRCNSA-N 1 2 365.477 3.431 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602436329 507711310 /nfs/dbraw/zinc/71/13/10/507711310.db2.gz NOLUSTWJJCKGLX-OAHLLOKOSA-N 1 2 363.490 3.442 20 30 FGEDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000611538059 507726012 /nfs/dbraw/zinc/72/60/12/507726012.db2.gz RBCSMVJHJSIYSD-UHFFFAOYSA-N 1 2 361.854 3.000 20 30 FGEDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000611538059 507726020 /nfs/dbraw/zinc/72/60/20/507726020.db2.gz RBCSMVJHJSIYSD-UHFFFAOYSA-N 1 2 361.854 3.000 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611552056 507734077 /nfs/dbraw/zinc/73/40/77/507734077.db2.gz NVLSBWDDZMGPAJ-IBGZPJMESA-N 1 2 354.385 3.116 20 30 FGEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2)cc1O ZINC000819773169 606237641 /nfs/dbraw/zinc/23/76/41/606237641.db2.gz QJQZEGHKILYYNN-UHFFFAOYSA-N 1 2 363.425 3.009 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379832 608399696 /nfs/dbraw/zinc/39/96/96/608399696.db2.gz DDPKMHBRYPFRKD-ROUUACIJSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379832 608399697 /nfs/dbraw/zinc/39/96/97/608399697.db2.gz DDPKMHBRYPFRKD-ROUUACIJSA-N 1 2 362.412 3.278 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826385715 608466653 /nfs/dbraw/zinc/46/66/53/608466653.db2.gz XXEVVEGUJQJWRD-UHFFFAOYSA-N 1 2 360.396 3.167 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826385715 608466655 /nfs/dbraw/zinc/46/66/55/608466655.db2.gz XXEVVEGUJQJWRD-UHFFFAOYSA-N 1 2 360.396 3.167 20 30 FGEDLO C=CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915402 608633353 /nfs/dbraw/zinc/63/33/53/608633353.db2.gz XATUTEVLPDGILX-UHFFFAOYSA-N 1 2 371.448 3.445 20 30 FGEDLO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915402 608633354 /nfs/dbraw/zinc/63/33/54/608633354.db2.gz XATUTEVLPDGILX-UHFFFAOYSA-N 1 2 371.448 3.445 20 30 FGEDLO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915402 608633355 /nfs/dbraw/zinc/63/33/55/608633355.db2.gz XATUTEVLPDGILX-UHFFFAOYSA-N 1 2 371.448 3.445 20 30 FGEDLO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915402 608633356 /nfs/dbraw/zinc/63/33/56/608633356.db2.gz XATUTEVLPDGILX-UHFFFAOYSA-N 1 2 371.448 3.445 20 30 FGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824384558 608680154 /nfs/dbraw/zinc/68/01/54/608680154.db2.gz DRSJNGBZFLMBFU-HNNXBMFYSA-N 1 2 362.437 3.180 20 30 FGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824384558 608680156 /nfs/dbraw/zinc/68/01/56/608680156.db2.gz DRSJNGBZFLMBFU-HNNXBMFYSA-N 1 2 362.437 3.180 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(N(CCC)CCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361540 700434998 /nfs/dbraw/zinc/43/49/98/700434998.db2.gz USPZLIWXNQKRTC-FQEVSTJZSA-N 1 2 364.555 3.488 20 30 FGEDLO C=CC[N@H+](Cc1ccc(N(CCC)CCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361540 700435000 /nfs/dbraw/zinc/43/50/00/700435000.db2.gz USPZLIWXNQKRTC-FQEVSTJZSA-N 1 2 364.555 3.488 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000779801172 724427978 /nfs/dbraw/zinc/42/79/78/724427978.db2.gz QXSXFQOLLHEHDV-LBPRGKRZSA-N 1 2 358.877 3.094 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)cn2)cc1OC ZINC000780556711 724479213 /nfs/dbraw/zinc/47/92/13/724479213.db2.gz PVRWBWFGAPMTMA-UHFFFAOYSA-N 1 2 362.227 3.023 20 30 FGEDLO Nc1ncc(C=[NH+]Nc2ccc(Br)cc2C(F)(F)F)cn1 ZINC000781593774 724577217 /nfs/dbraw/zinc/57/72/17/724577217.db2.gz YXTCUBGBGJUMIM-UHFFFAOYSA-N 1 2 360.137 3.286 20 30 FGEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@H](C)COC ZINC000661238372 720213534 /nfs/dbraw/zinc/21/35/34/720213534.db2.gz BTSDMMAPIFVCRP-LLVKDONJSA-N 1 2 366.259 3.031 20 30 FGEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@H](C)COC ZINC000661238372 720213541 /nfs/dbraw/zinc/21/35/41/720213541.db2.gz BTSDMMAPIFVCRP-LLVKDONJSA-N 1 2 366.259 3.031 20 30 FGEDLO COc1ccc(OCCO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782949441 724711623 /nfs/dbraw/zinc/71/16/23/724711623.db2.gz HWJAAOMNWJXJIN-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO Cc1cc(Br)cn2c(CN=Nc3ccc(Cl)nn3)c[nH+]c12 ZINC000783776646 724789357 /nfs/dbraw/zinc/78/93/57/724789357.db2.gz DCHHZAYNBMLGFV-UHFFFAOYSA-N 1 2 365.622 3.295 20 30 FGEDLO C=CCOCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000679503622 722030936 /nfs/dbraw/zinc/03/09/36/722030936.db2.gz TUDXLFVBJBLKGN-INIZCTEOSA-N 1 2 369.868 3.118 20 30 FGEDLO NC(=NOCc1ccc(Cl)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791969 722422808 /nfs/dbraw/zinc/42/28/08/722422808.db2.gz CDHQNSNBAFTXMY-UHFFFAOYSA-N 1 2 365.886 3.071 20 30 FGEDLO C=CC[N@@H+](CCN1CCOC1=O)Cc1cc(Br)ccc1F ZINC000731103769 722473400 /nfs/dbraw/zinc/47/34/00/722473400.db2.gz HKUHILCIOSBAMK-UHFFFAOYSA-N 1 2 357.223 3.028 20 30 FGEDLO C=CC[N@H+](CCN1CCOC1=O)Cc1cc(Br)ccc1F ZINC000731103769 722473401 /nfs/dbraw/zinc/47/34/01/722473401.db2.gz HKUHILCIOSBAMK-UHFFFAOYSA-N 1 2 357.223 3.028 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000733161214 722493388 /nfs/dbraw/zinc/49/33/88/722493388.db2.gz LYQWOJVBRNSUFP-NTMALXAHSA-N 1 2 354.450 3.345 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1 ZINC000733306549 722495270 /nfs/dbraw/zinc/49/52/70/722495270.db2.gz KQQWOYYFAVZCLZ-LBPRGKRZSA-N 1 2 359.451 3.081 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(SC)c2)cc1 ZINC000733305948 722495274 /nfs/dbraw/zinc/49/52/74/722495274.db2.gz CYLVIVBBRSMSHP-GFCCVEGCSA-N 1 2 359.451 3.081 20 30 FGEDLO N#CCOc1ccc(Cl)cc1Cn1c2ccccc2[nH+]c1NCCO ZINC000735305551 722514745 /nfs/dbraw/zinc/51/47/45/722514745.db2.gz VCZSUFNYALDFOZ-UHFFFAOYSA-N 1 2 356.813 3.045 20 30 FGEDLO COc1cccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cs2)c1 ZINC000753937534 722919306 /nfs/dbraw/zinc/91/93/06/722919306.db2.gz XWARZXZIQPRHLY-IYBDPMFKSA-N 1 2 355.467 3.013 20 30 FGEDLO CC(C)c1[nH+]c(C=NNC(=S)NCc2ccccc2)c2ccccn21 ZINC000755506225 722953962 /nfs/dbraw/zinc/95/39/62/722953962.db2.gz UCZXTBPUAGUSSN-UHFFFAOYSA-N 1 2 351.479 3.456 20 30 FGEDLO COc1cccc([C@@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)c1 ZINC000759777884 723020505 /nfs/dbraw/zinc/02/05/05/723020505.db2.gz PLYOWOOCAKKFQM-LJQANCHMSA-N 1 2 357.841 3.057 20 30 FGEDLO N#CCCN1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000760945543 723107063 /nfs/dbraw/zinc/10/70/63/723107063.db2.gz ZRWJKKBHGAEIKL-UHFFFAOYSA-N 1 2 351.479 3.094 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056674 723117779 /nfs/dbraw/zinc/11/77/79/723117779.db2.gz ZGJMGUDWVBMBRS-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056674 723117781 /nfs/dbraw/zinc/11/77/81/723117781.db2.gz ZGJMGUDWVBMBRS-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccccn1 ZINC000762478366 723246831 /nfs/dbraw/zinc/24/68/31/723246831.db2.gz GJXDHLDGBXVLMD-UHFFFAOYSA-N 1 2 352.467 3.279 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000793329751 723425318 /nfs/dbraw/zinc/42/53/18/723425318.db2.gz XKPKPMUGRBYUSV-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO N#Cc1c(=O)n(C[N@H+](CCC(F)(F)F)CC2CC2)cc2c1CCCC2 ZINC000793507018 723444737 /nfs/dbraw/zinc/44/47/37/723444737.db2.gz ZTAYSULJLCSRKX-UHFFFAOYSA-N 1 2 353.388 3.221 20 30 FGEDLO N#Cc1c(=O)n(C[N@@H+](CCC(F)(F)F)CC2CC2)cc2c1CCCC2 ZINC000793507018 723444741 /nfs/dbraw/zinc/44/47/41/723444741.db2.gz ZTAYSULJLCSRKX-UHFFFAOYSA-N 1 2 353.388 3.221 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)s1 ZINC000794697202 723541410 /nfs/dbraw/zinc/54/14/10/723541410.db2.gz KRMXAUPQFCNXLY-MDZDMXLPSA-N 1 2 355.463 3.228 20 30 FGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)OCC(=O)N2 ZINC000794731554 723543406 /nfs/dbraw/zinc/54/34/06/723543406.db2.gz BLXKFJOLPLAOFD-DUXPYHPUSA-N 1 2 351.387 3.161 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C3/CCc4nn(C)cc4C3=O)c[nH+]c12 ZINC000794961766 723553285 /nfs/dbraw/zinc/55/32/85/723553285.db2.gz KEVFFMZPPAKHBV-WDZFZDKYSA-N 1 2 371.238 3.351 20 30 FGEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796560152 723643733 /nfs/dbraw/zinc/64/37/33/723643733.db2.gz OURDOVGZDNUTQD-GOSISDBHSA-N 1 2 350.846 3.012 20 30 FGEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796560152 723643735 /nfs/dbraw/zinc/64/37/35/723643735.db2.gz OURDOVGZDNUTQD-GOSISDBHSA-N 1 2 350.846 3.012 20 30 FGEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544170 723941534 /nfs/dbraw/zinc/94/15/34/723941534.db2.gz FDOIOBDQGIGLHW-GVDBMIGSSA-N 1 2 351.853 3.181 20 30 FGEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544170 723941536 /nfs/dbraw/zinc/94/15/36/723941536.db2.gz FDOIOBDQGIGLHW-GVDBMIGSSA-N 1 2 351.853 3.181 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)[C@@H]1CCCO1 ZINC000775784895 724061727 /nfs/dbraw/zinc/06/17/27/724061727.db2.gz LXYGSOMUBYGSOS-CVEARBPZSA-N 1 2 358.463 3.098 20 30 FGEDLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C#N)c(Cl)c2)c1C ZINC000801004586 724259329 /nfs/dbraw/zinc/25/93/29/724259329.db2.gz LQDIUYJKTITMGA-UHFFFAOYSA-N 1 2 358.829 3.232 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)CCSc2ccc(C)c(C)c2)n1 ZINC000789322988 725122085 /nfs/dbraw/zinc/12/20/85/725122085.db2.gz UKAYQDQGESPTKR-UHFFFAOYSA-N 1 2 357.523 3.374 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSc2ccc(C)c(C)c2)n1 ZINC000789322988 725122087 /nfs/dbraw/zinc/12/20/87/725122087.db2.gz UKAYQDQGESPTKR-UHFFFAOYSA-N 1 2 357.523 3.374 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H](C3CC3)C2)nc1-c1cnccn1 ZINC000808231015 725188844 /nfs/dbraw/zinc/18/88/44/725188844.db2.gz VZYXJLGPGMUDOX-HNNXBMFYSA-N 1 2 356.499 3.137 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H](C3CC3)C2)nc1-c1cnccn1 ZINC000808231015 725188845 /nfs/dbraw/zinc/18/88/45/725188845.db2.gz VZYXJLGPGMUDOX-HNNXBMFYSA-N 1 2 356.499 3.137 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069896 725286237 /nfs/dbraw/zinc/28/62/37/725286237.db2.gz LUSIHHFBCUZXQA-ZDUSSCGKSA-N 1 2 358.791 3.082 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069896 725286240 /nfs/dbraw/zinc/28/62/40/725286240.db2.gz LUSIHHFBCUZXQA-ZDUSSCGKSA-N 1 2 358.791 3.082 20 30 FGEDLO N#Cc1csc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000810147277 725293025 /nfs/dbraw/zinc/29/30/25/725293025.db2.gz BUIVXEVIRKOXEK-ZDUSSCGKSA-N 1 2 361.776 3.208 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000811466132 725367485 /nfs/dbraw/zinc/36/74/85/725367485.db2.gz NPCXKJSQPCDSPJ-JSGCOSHPSA-N 1 2 350.488 3.140 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000811466132 725367486 /nfs/dbraw/zinc/36/74/86/725367486.db2.gz NPCXKJSQPCDSPJ-JSGCOSHPSA-N 1 2 350.488 3.140 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000812000631 725387054 /nfs/dbraw/zinc/38/70/54/725387054.db2.gz CCQVYNZVMUKGFN-BBRMVZONSA-N 1 2 351.853 3.279 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ncc(Br)cn1 ZINC000814302476 726955017 /nfs/dbraw/zinc/95/50/17/726955017.db2.gz VKUWHBRLABBOGX-ZDUSSCGKSA-N 1 2 374.286 3.440 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000815892383 727104763 /nfs/dbraw/zinc/10/47/63/727104763.db2.gz OLGYOFCZIZRARP-LSDHHAIUSA-N 1 2 358.816 3.039 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000815892383 727104765 /nfs/dbraw/zinc/10/47/65/727104765.db2.gz OLGYOFCZIZRARP-LSDHHAIUSA-N 1 2 358.816 3.039 20 30 FGEDLO N#CCOc1cc(F)ccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820895457 729041909 /nfs/dbraw/zinc/04/19/09/729041909.db2.gz FSDVQUDPPULPSF-CYBMUJFWSA-N 1 2 356.279 3.057 20 30 FGEDLO O=C(C=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(-c2nn[nH]n2)s1 ZINC000826400200 729407890 /nfs/dbraw/zinc/40/78/90/729407890.db2.gz RWLHZQRAECGXGO-OWOJBTEDSA-N 1 2 354.420 3.072 20 30 FGEDLO NC(=NOCc1sccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842023958 730288184 /nfs/dbraw/zinc/28/81/84/730288184.db2.gz IGRKHUDYWWWVMF-UHFFFAOYSA-N 1 2 365.886 3.071 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365754 730707948 /nfs/dbraw/zinc/70/79/48/730707948.db2.gz IBSFPBNVLRBODA-KRWDZBQOSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365754 730707951 /nfs/dbraw/zinc/70/79/51/730707951.db2.gz IBSFPBNVLRBODA-KRWDZBQOSA-N 1 2 357.841 3.124 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000848924534 731220938 /nfs/dbraw/zinc/22/09/38/731220938.db2.gz UXZIGWLCJLOCTI-AWEZNQCLSA-N 1 2 361.511 3.282 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000848924534 731220940 /nfs/dbraw/zinc/22/09/40/731220940.db2.gz UXZIGWLCJLOCTI-AWEZNQCLSA-N 1 2 361.511 3.282 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000852341989 731572811 /nfs/dbraw/zinc/57/28/11/731572811.db2.gz BWONQOJJJIGGJP-MRXNPFEDSA-N 1 2 365.861 3.268 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524534 731717583 /nfs/dbraw/zinc/71/75/83/731717583.db2.gz NQPFQSVRNSXSIS-GXTWGEPZSA-N 1 2 351.372 3.003 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524534 731717584 /nfs/dbraw/zinc/71/75/84/731717584.db2.gz NQPFQSVRNSXSIS-GXTWGEPZSA-N 1 2 351.372 3.003 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)cs2)CC1 ZINC000859003393 732267488 /nfs/dbraw/zinc/26/74/88/732267488.db2.gz MLACFNDQRUXBJW-UHFFFAOYSA-N 1 2 354.475 3.108 20 30 FGEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785340 735677065 /nfs/dbraw/zinc/67/70/65/735677065.db2.gz ABDJXUPMIIFHFF-IYBDPMFKSA-N 1 2 356.495 3.111 20 30 FGEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785340 735677069 /nfs/dbraw/zinc/67/70/69/735677069.db2.gz ABDJXUPMIIFHFF-IYBDPMFKSA-N 1 2 356.495 3.111 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1Br ZINC000877181957 736196138 /nfs/dbraw/zinc/19/61/38/736196138.db2.gz HXILANBJCGCPTA-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000890452963 739801405 /nfs/dbraw/zinc/80/14/05/739801405.db2.gz YCHPPAHSUMXACR-INIZCTEOSA-N 1 2 355.467 3.023 20 30 FGEDLO COC(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)c(C(F)(F)F)c1 ZINC000897625614 742697301 /nfs/dbraw/zinc/69/73/01/742697301.db2.gz HFSLGDHMYMHJFQ-UHFFFAOYSA-N 1 2 355.341 3.110 20 30 FGEDLO COc1ccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915943091 758007978 /nfs/dbraw/zinc/00/79/78/758007978.db2.gz RRTNCHWACQNMGV-UHFFFAOYSA-N 1 2 355.467 3.033 20 30 FGEDLO C=C(Br)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000921071324 758642576 /nfs/dbraw/zinc/64/25/76/758642576.db2.gz CRKMTYOIDMEXQA-SNVBAGLBSA-N 1 2 373.320 3.405 20 30 FGEDLO C=C(Br)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000921071324 758642580 /nfs/dbraw/zinc/64/25/80/758642580.db2.gz CRKMTYOIDMEXQA-SNVBAGLBSA-N 1 2 373.320 3.405 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000930148720 760537415 /nfs/dbraw/zinc/53/74/15/760537415.db2.gz FIRDPHWIBQKHDV-UHFFFAOYSA-N 1 2 360.483 3.481 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3ccc(Br)nc3N)CC2)nc1 ZINC000931112474 760780853 /nfs/dbraw/zinc/78/08/53/760780853.db2.gz HGJQWVYTEQCEBP-UHFFFAOYSA-N 1 2 372.270 3.073 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073956 761045195 /nfs/dbraw/zinc/04/51/95/761045195.db2.gz ZPOIWYKBTPZTRX-CVEARBPZSA-N 1 2 356.413 3.407 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073956 761045201 /nfs/dbraw/zinc/04/52/01/761045201.db2.gz ZPOIWYKBTPZTRX-CVEARBPZSA-N 1 2 356.413 3.407 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776501 761472038 /nfs/dbraw/zinc/47/20/38/761472038.db2.gz DRLPIJKPONFROE-HNNXBMFYSA-N 1 2 352.463 3.387 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776501 761472042 /nfs/dbraw/zinc/47/20/42/761472042.db2.gz DRLPIJKPONFROE-HNNXBMFYSA-N 1 2 352.463 3.387 20 30 FGEDLO O=C(N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1CCC2 ZINC000981653195 763513320 /nfs/dbraw/zinc/51/33/20/763513320.db2.gz MIDKRQMEACVWLZ-WIYYLYMNSA-N 1 2 356.897 3.416 20 30 FGEDLO O=C(N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1CCC2 ZINC000981653195 763513326 /nfs/dbraw/zinc/51/33/26/763513326.db2.gz MIDKRQMEACVWLZ-WIYYLYMNSA-N 1 2 356.897 3.416 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000981670822 763514509 /nfs/dbraw/zinc/51/45/09/763514509.db2.gz MVIYFPZDVFBXLJ-JKSUJKDBSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000981670822 763514518 /nfs/dbraw/zinc/51/45/18/763514518.db2.gz MVIYFPZDVFBXLJ-JKSUJKDBSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000997308509 765054678 /nfs/dbraw/zinc/05/46/78/765054678.db2.gz FYYAYENJGGEDIH-NTPZEWHUSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000997753899 765082082 /nfs/dbraw/zinc/08/20/82/765082082.db2.gz FYYAYENJGGEDIH-TZJWJUGASA-N 1 2 361.313 3.113 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)s1 ZINC001004580139 765439002 /nfs/dbraw/zinc/43/90/02/765439002.db2.gz PKZXIZQSWKPOLB-KZNAEPCWSA-N 1 2 357.523 3.387 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)s1 ZINC001004580139 765439004 /nfs/dbraw/zinc/43/90/04/765439004.db2.gz PKZXIZQSWKPOLB-KZNAEPCWSA-N 1 2 357.523 3.387 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001023643425 766046844 /nfs/dbraw/zinc/04/68/44/766046844.db2.gz YBQCWTDOFXEJHO-QHSLEDSSSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001023643425 766046858 /nfs/dbraw/zinc/04/68/58/766046858.db2.gz YBQCWTDOFXEJHO-QHSLEDSSSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001028032189 766109107 /nfs/dbraw/zinc/10/91/07/766109107.db2.gz PAAYZFKAIKQQRK-OTWHNJEPSA-N 1 2 362.901 3.110 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001028032189 766109108 /nfs/dbraw/zinc/10/91/08/766109108.db2.gz PAAYZFKAIKQQRK-OTWHNJEPSA-N 1 2 362.901 3.110 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001031988227 766190312 /nfs/dbraw/zinc/19/03/12/766190312.db2.gz QCKPTENVQZZFHA-SJORKVTESA-N 1 2 369.292 3.133 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001034439966 766242470 /nfs/dbraw/zinc/24/24/70/766242470.db2.gz RYQUVBGKXYEBDK-HDLHBMTLSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001034439966 766242472 /nfs/dbraw/zinc/24/24/72/766242472.db2.gz RYQUVBGKXYEBDK-HDLHBMTLSA-N 1 2 361.313 3.257 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000302121338 257384184 /nfs/dbraw/zinc/38/41/84/257384184.db2.gz UKLCUBNGWWURLS-HUUCEWRRSA-N 1 2 364.449 3.382 20 30 FGEDLO CCn1cc[nH+]c1[C@H](Nc1ncc2c(c1C#N)CCC2)C1CCOCC1 ZINC000573678160 505595000 /nfs/dbraw/zinc/59/50/00/505595000.db2.gz BIMVSYUWQVSPGS-GOSISDBHSA-N 1 2 351.454 3.238 20 30 FGEDLO N#Cc1c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cn2ccccc12 ZINC000579808731 505626355 /nfs/dbraw/zinc/62/63/55/505626355.db2.gz GSYCRJCQIJUROX-JOCHJYFZSA-N 1 2 357.413 3.421 20 30 FGEDLO N#Cc1c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cn2ccccc12 ZINC000579808731 505626358 /nfs/dbraw/zinc/62/63/58/505626358.db2.gz GSYCRJCQIJUROX-JOCHJYFZSA-N 1 2 357.413 3.421 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000577015137 505645652 /nfs/dbraw/zinc/64/56/52/505645652.db2.gz ZLTYKWSIWNSLCR-HXUWFJFHSA-N 1 2 371.444 3.488 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000579975666 505655492 /nfs/dbraw/zinc/65/54/92/505655492.db2.gz YRVDOLQXYGEVDH-ZDUSSCGKSA-N 1 2 356.451 3.221 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000075915598 493796052 /nfs/dbraw/zinc/79/60/52/493796052.db2.gz RRNAXPCRZVLTCF-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCN(C)c3ccccc3C2)c(C#N)c1C ZINC000075940481 493797861 /nfs/dbraw/zinc/79/78/61/493797861.db2.gz NUMYMMMVIZQOCX-AWEZNQCLSA-N 1 2 352.438 3.047 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCN(C)c3ccccc3C2)c(C#N)c1C ZINC000075940481 493797866 /nfs/dbraw/zinc/79/78/66/493797866.db2.gz NUMYMMMVIZQOCX-AWEZNQCLSA-N 1 2 352.438 3.047 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccn2)c1 ZINC000081012380 493812535 /nfs/dbraw/zinc/81/25/35/493812535.db2.gz RHEGAMMAVUHAEO-QFIPXVFZSA-N 1 2 364.493 3.447 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccn2)c1 ZINC000081012380 493812539 /nfs/dbraw/zinc/81/25/39/493812539.db2.gz RHEGAMMAVUHAEO-QFIPXVFZSA-N 1 2 364.493 3.447 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068547085 493838935 /nfs/dbraw/zinc/83/89/35/493838935.db2.gz JPWYCTOQIBECBI-UHFFFAOYSA-N 1 2 350.422 3.094 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030609378 493900850 /nfs/dbraw/zinc/90/08/50/493900850.db2.gz VFHDRAOHBFWMQK-UHFFFAOYSA-N 1 2 362.437 3.171 20 30 FGEDLO CC[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513464 493907820 /nfs/dbraw/zinc/90/78/20/493907820.db2.gz NTGJXWISKRJPTB-FQEVSTJZSA-N 1 2 354.475 3.341 20 30 FGEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513464 493907822 /nfs/dbraw/zinc/90/78/22/493907822.db2.gz NTGJXWISKRJPTB-FQEVSTJZSA-N 1 2 354.475 3.341 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297793 494040864 /nfs/dbraw/zinc/04/08/64/494040864.db2.gz QZMQYWBKLDDRJN-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297793 494040867 /nfs/dbraw/zinc/04/08/67/494040867.db2.gz QZMQYWBKLDDRJN-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070739032 494052642 /nfs/dbraw/zinc/05/26/42/494052642.db2.gz WTPWQWLHFFWGDI-INIZCTEOSA-N 1 2 367.449 3.013 20 30 FGEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070739032 494052645 /nfs/dbraw/zinc/05/26/45/494052645.db2.gz WTPWQWLHFFWGDI-INIZCTEOSA-N 1 2 367.449 3.013 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000042287652 494213669 /nfs/dbraw/zinc/21/36/69/494213669.db2.gz ANZLXHJDNFIXPI-JTPHSUOKSA-N 1 2 355.526 3.131 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287652 494213674 /nfs/dbraw/zinc/21/36/74/494213674.db2.gz ANZLXHJDNFIXPI-JTPHSUOKSA-N 1 2 355.526 3.131 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000054272405 494214419 /nfs/dbraw/zinc/21/44/19/494214419.db2.gz AVHJHUXQFCLPCB-UHFFFAOYSA-N 1 2 369.421 3.254 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000054272405 494214421 /nfs/dbraw/zinc/21/44/21/494214421.db2.gz AVHJHUXQFCLPCB-UHFFFAOYSA-N 1 2 369.421 3.254 20 30 FGEDLO CCc1c(C)sc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000078106087 494232737 /nfs/dbraw/zinc/23/27/37/494232737.db2.gz JEHFUBBMOGBDFM-SFHVURJKSA-N 1 2 369.490 3.330 20 30 FGEDLO CCc1c(C)sc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000078106087 494232743 /nfs/dbraw/zinc/23/27/43/494232743.db2.gz JEHFUBBMOGBDFM-SFHVURJKSA-N 1 2 369.490 3.330 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000054538195 494245344 /nfs/dbraw/zinc/24/53/44/494245344.db2.gz ATSZSZRIJRKRKM-UHFFFAOYSA-N 1 2 365.437 3.095 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000043042276 494259403 /nfs/dbraw/zinc/25/94/03/494259403.db2.gz UJGHXRNZZPSHTO-INIZCTEOSA-N 1 2 360.417 3.152 20 30 FGEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616062 494330802 /nfs/dbraw/zinc/33/08/02/494330802.db2.gz KDVVKWTWBFTUCK-NRSPTQNISA-N 1 2 368.525 3.048 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000574209970 505720864 /nfs/dbraw/zinc/72/08/64/505720864.db2.gz KDAJRDJYPDUMSS-FQEVSTJZSA-N 1 2 371.868 3.493 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4ccccc4c3O)CC2)cc1 ZINC000017843572 494418001 /nfs/dbraw/zinc/41/80/01/494418001.db2.gz JRLHMPFFBWTTAR-UHFFFAOYSA-N 1 2 371.440 3.375 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccs1 ZINC000019540465 494448726 /nfs/dbraw/zinc/44/87/26/494448726.db2.gz GXKINFHTDVSKGW-UHFFFAOYSA-N 1 2 361.423 3.292 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cccs1 ZINC000019540465 494448730 /nfs/dbraw/zinc/44/87/30/494448730.db2.gz GXKINFHTDVSKGW-UHFFFAOYSA-N 1 2 361.423 3.292 20 30 FGEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cc1C(F)(F)F ZINC000067348705 494518070 /nfs/dbraw/zinc/51/80/70/494518070.db2.gz IVFMRHXKOICEHG-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)ccc3O)CC2)cc1 ZINC000023450985 494567513 /nfs/dbraw/zinc/56/75/13/494567513.db2.gz IJSRLKHAHOIESS-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)ccc3O)CC2)cc1 ZINC000023450985 494567515 /nfs/dbraw/zinc/56/75/15/494567515.db2.gz IJSRLKHAHOIESS-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000121108852 494600542 /nfs/dbraw/zinc/60/05/42/494600542.db2.gz VWSLZZNMAITSHT-KRWDZBQOSA-N 1 2 365.437 3.141 20 30 FGEDLO O=C(Cc1cn2ccccc2[nH+]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024449442 494631236 /nfs/dbraw/zinc/63/12/36/494631236.db2.gz SJEATOZZIUCDIJ-UHFFFAOYSA-N 1 2 357.335 3.064 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000121270667 494675403 /nfs/dbraw/zinc/67/54/03/494675403.db2.gz RKVJBCQRJJXQFI-OAHLLOKOSA-N 1 2 353.401 3.191 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246451 494714931 /nfs/dbraw/zinc/71/49/31/494714931.db2.gz OCAVGCXAKOWHSQ-MRXNPFEDSA-N 1 2 357.376 3.071 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246451 494714937 /nfs/dbraw/zinc/71/49/37/494714937.db2.gz OCAVGCXAKOWHSQ-MRXNPFEDSA-N 1 2 357.376 3.071 20 30 FGEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000121420790 494747260 /nfs/dbraw/zinc/74/72/60/494747260.db2.gz JCAPQMPMYBFLMV-NVXWUHKLSA-N 1 2 353.422 3.010 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2CF)c1C#N ZINC000574296425 505740911 /nfs/dbraw/zinc/74/09/11/505740911.db2.gz JWCWIWGKSAAKEN-KRWDZBQOSA-N 1 2 354.429 3.338 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2CF)c1C#N ZINC000574296425 505740913 /nfs/dbraw/zinc/74/09/13/505740913.db2.gz JWCWIWGKSAAKEN-KRWDZBQOSA-N 1 2 354.429 3.338 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccc(F)c(F)c4)C3)n2c1 ZINC000092973778 494797316 /nfs/dbraw/zinc/79/73/16/494797316.db2.gz APKWICZZVSYBNX-SFHVURJKSA-N 1 2 354.360 3.058 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccc(F)c(F)c4)C3)n2c1 ZINC000092973779 494797508 /nfs/dbraw/zinc/79/75/08/494797508.db2.gz APKWICZZVSYBNX-GOSISDBHSA-N 1 2 354.360 3.058 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2c([nH]c3ccccc32)C1 ZINC000126613663 494803430 /nfs/dbraw/zinc/80/34/30/494803430.db2.gz CDLJXFXJTZIRTC-UHFFFAOYSA-N 1 2 350.447 3.488 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2c([nH]c3ccccc32)C1 ZINC000126613663 494803436 /nfs/dbraw/zinc/80/34/36/494803436.db2.gz CDLJXFXJTZIRTC-UHFFFAOYSA-N 1 2 350.447 3.488 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121728220 494846660 /nfs/dbraw/zinc/84/66/60/494846660.db2.gz NRSFOMSWDKWGAD-ZDUSSCGKSA-N 1 2 359.476 3.357 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121728220 494846663 /nfs/dbraw/zinc/84/66/63/494846663.db2.gz NRSFOMSWDKWGAD-ZDUSSCGKSA-N 1 2 359.476 3.357 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000121761468 494855081 /nfs/dbraw/zinc/85/50/81/494855081.db2.gz HLHQMBWWUGMTJR-MRXNPFEDSA-N 1 2 353.447 3.296 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000121761468 494855084 /nfs/dbraw/zinc/85/50/84/494855084.db2.gz HLHQMBWWUGMTJR-MRXNPFEDSA-N 1 2 353.447 3.296 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000027776243 494884930 /nfs/dbraw/zinc/88/49/30/494884930.db2.gz AWVSLRSQBTWEQA-UHFFFAOYSA-N 1 2 352.434 3.475 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000027776243 494884933 /nfs/dbraw/zinc/88/49/33/494884933.db2.gz AWVSLRSQBTWEQA-UHFFFAOYSA-N 1 2 352.434 3.475 20 30 FGEDLO CCCCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000122220730 494942085 /nfs/dbraw/zinc/94/20/85/494942085.db2.gz SCIKOCUHWUSOBF-CQSZACIVSA-N 1 2 372.473 3.196 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000118397525 494999679 /nfs/dbraw/zinc/99/96/79/494999679.db2.gz BWPXNEHCYQHDGO-SFHVURJKSA-N 1 2 368.525 3.028 20 30 FGEDLO CCOC(=O)C[N@H+](CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000110985556 495027760 /nfs/dbraw/zinc/02/77/60/495027760.db2.gz VPTGCEZBUZGFQG-UHFFFAOYSA-N 1 2 352.434 3.237 20 30 FGEDLO CCOC(=O)C[N@@H+](CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000110985556 495027762 /nfs/dbraw/zinc/02/77/62/495027762.db2.gz VPTGCEZBUZGFQG-UHFFFAOYSA-N 1 2 352.434 3.237 20 30 FGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)CC1 ZINC000111809212 495114802 /nfs/dbraw/zinc/11/48/02/495114802.db2.gz NEBKWBLGDKMIAJ-SFHVURJKSA-N 1 2 354.454 3.126 20 30 FGEDLO C=CCCC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000134641500 495180254 /nfs/dbraw/zinc/18/02/54/495180254.db2.gz IPKKNRWIECPTNR-UHFFFAOYSA-N 1 2 356.495 3.491 20 30 FGEDLO C[C@H](CC#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135124241 495253678 /nfs/dbraw/zinc/25/36/78/495253678.db2.gz DKZWFGPEEXYGBY-DOMZBBRYSA-N 1 2 350.260 3.004 20 30 FGEDLO CCC[N@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104946106 495318172 /nfs/dbraw/zinc/31/81/72/495318172.db2.gz RMLFDLFITGXORE-UHFFFAOYSA-N 1 2 356.495 3.058 20 30 FGEDLO CCC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104946106 495318173 /nfs/dbraw/zinc/31/81/73/495318173.db2.gz RMLFDLFITGXORE-UHFFFAOYSA-N 1 2 356.495 3.058 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000568816476 505783481 /nfs/dbraw/zinc/78/34/81/505783481.db2.gz JHLRGAQWYPJJNW-WMZOPIPTSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000568816476 505783486 /nfs/dbraw/zinc/78/34/86/505783486.db2.gz JHLRGAQWYPJJNW-WMZOPIPTSA-N 1 2 359.857 3.184 20 30 FGEDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000130569985 495412850 /nfs/dbraw/zinc/41/28/50/495412850.db2.gz KNGZPILRYSUODQ-CQSZACIVSA-N 1 2 370.478 3.258 20 30 FGEDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000130569985 495412855 /nfs/dbraw/zinc/41/28/55/495412855.db2.gz KNGZPILRYSUODQ-CQSZACIVSA-N 1 2 370.478 3.258 20 30 FGEDLO Cc1ccc2oc(N3CC[NH+](Cc4ccc(C#N)cc4F)CC3)nc2c1 ZINC000106095242 495414136 /nfs/dbraw/zinc/41/41/36/495414136.db2.gz KMATYCREYMOTSA-UHFFFAOYSA-N 1 2 350.397 3.469 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130599107 495417688 /nfs/dbraw/zinc/41/76/88/495417688.db2.gz RWMPDRYGTFKXIQ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130599107 495417692 /nfs/dbraw/zinc/41/76/92/495417692.db2.gz RWMPDRYGTFKXIQ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000120987682 495498401 /nfs/dbraw/zinc/49/84/01/495498401.db2.gz KDRRCWWTWAUZBV-GOSISDBHSA-N 1 2 371.282 3.227 20 30 FGEDLO C[N@H+](Cc1ccc(Br)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532154 495513974 /nfs/dbraw/zinc/51/39/74/495513974.db2.gz ZAPCWOFECKVDMR-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)s1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532154 495513975 /nfs/dbraw/zinc/51/39/75/495513975.db2.gz ZAPCWOFECKVDMR-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000173476158 495548654 /nfs/dbraw/zinc/54/86/54/495548654.db2.gz KBPONWHVDMUUOY-QGZVFWFLSA-N 1 2 354.479 3.461 20 30 FGEDLO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000173476158 495548656 /nfs/dbraw/zinc/54/86/56/495548656.db2.gz KBPONWHVDMUUOY-QGZVFWFLSA-N 1 2 354.479 3.461 20 30 FGEDLO CC(=O)N(Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1)C1CC1 ZINC000150943834 495689614 /nfs/dbraw/zinc/68/96/14/495689614.db2.gz UUSDWGLFZDZJSQ-UHFFFAOYSA-N 1 2 359.433 3.329 20 30 FGEDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 ZINC000179811501 495743574 /nfs/dbraw/zinc/74/35/74/495743574.db2.gz PUVYICPKTIQJSY-MRXNPFEDSA-N 1 2 373.844 3.397 20 30 FGEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000580635731 505803212 /nfs/dbraw/zinc/80/32/12/505803212.db2.gz FJLAMPYUMZTNCE-HNNXBMFYSA-N 1 2 370.478 3.441 20 30 FGEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000580635731 505803214 /nfs/dbraw/zinc/80/32/14/505803214.db2.gz FJLAMPYUMZTNCE-HNNXBMFYSA-N 1 2 370.478 3.441 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC000179989108 495812525 /nfs/dbraw/zinc/81/25/25/495812525.db2.gz COMOHPNIGUJNCR-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1)c1ccccc1 ZINC000159964429 495852319 /nfs/dbraw/zinc/85/23/19/495852319.db2.gz FEWYIAPQUYZGPA-UHFFFAOYSA-N 1 2 353.491 3.242 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000186109234 495858615 /nfs/dbraw/zinc/85/86/15/495858615.db2.gz RBWXEMCTAAAIRF-JCGIZDLHSA-N 1 2 350.890 3.430 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000186109234 495858622 /nfs/dbraw/zinc/85/86/22/495858622.db2.gz RBWXEMCTAAAIRF-JCGIZDLHSA-N 1 2 350.890 3.430 20 30 FGEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)c(Cl)c1 ZINC000174227380 495871419 /nfs/dbraw/zinc/87/14/19/495871419.db2.gz SPCOFUNHQGEXDU-CYBMUJFWSA-N 1 2 355.866 3.245 20 30 FGEDLO CC(C)CCOC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177011940 495882511 /nfs/dbraw/zinc/88/25/11/495882511.db2.gz ARPXQPHJJDZWDL-KRWDZBQOSA-N 1 2 361.511 3.252 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000577882878 505811760 /nfs/dbraw/zinc/81/17/60/505811760.db2.gz PHPDWZRCMWAEIQ-FQEVSTJZSA-N 1 2 361.445 3.159 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000577882878 505811762 /nfs/dbraw/zinc/81/17/62/505811762.db2.gz PHPDWZRCMWAEIQ-FQEVSTJZSA-N 1 2 361.445 3.159 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000171587497 495938612 /nfs/dbraw/zinc/93/86/12/495938612.db2.gz HLKSSICCFGCJSH-KRWDZBQOSA-N 1 2 363.461 3.280 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000180438491 495996536 /nfs/dbraw/zinc/99/65/36/495996536.db2.gz HBCOMWBDTRULPR-QGZVFWFLSA-N 1 2 372.513 3.134 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000152037379 496029399 /nfs/dbraw/zinc/02/93/99/496029399.db2.gz GDMXSIXCOHCPRB-SFHVURJKSA-N 1 2 372.469 3.134 20 30 FGEDLO C=C(C)C[NH+]1CCC(Nc2c(C(=O)[O-])c[nH+]c3c(OC)cccc23)CC1 ZINC000574640691 505821702 /nfs/dbraw/zinc/82/17/02/505821702.db2.gz NTJMOLKBEVJNRH-UHFFFAOYSA-N 1 2 355.438 3.394 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000580717772 505822206 /nfs/dbraw/zinc/82/22/06/505822206.db2.gz HWIQJIHXNMNPIK-JOCHJYFZSA-N 1 2 359.473 3.008 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186743100 496131355 /nfs/dbraw/zinc/13/13/55/496131355.db2.gz NSWNJOXIFYLPEZ-LLVKDONJSA-N 1 2 367.400 3.312 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000183971774 496182873 /nfs/dbraw/zinc/18/28/73/496182873.db2.gz QZIPUHPMXVWMKW-QGZVFWFLSA-N 1 2 372.472 3.487 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000152547126 496183262 /nfs/dbraw/zinc/18/32/62/496183262.db2.gz TYKXTYHHXRCOPV-UHFFFAOYSA-N 1 2 366.465 3.273 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(Br)c1 ZINC000180960585 496219850 /nfs/dbraw/zinc/21/98/50/496219850.db2.gz KLRQOPLZJNQRHG-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000187025742 496256864 /nfs/dbraw/zinc/25/68/64/496256864.db2.gz ACVNUAHUNCJGMX-QPJJXVBHSA-N 1 2 371.484 3.447 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000175172078 496276810 /nfs/dbraw/zinc/27/68/10/496276810.db2.gz CMSQMGXXXWVNLS-IBGZPJMESA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000175172078 496276814 /nfs/dbraw/zinc/27/68/14/496276814.db2.gz CMSQMGXXXWVNLS-IBGZPJMESA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000181139631 496285223 /nfs/dbraw/zinc/28/52/23/496285223.db2.gz GUMIIHWOCUAZBF-UHFFFAOYSA-N 1 2 356.429 3.196 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1OC ZINC000162126594 496300624 /nfs/dbraw/zinc/30/06/24/496300624.db2.gz RYJJTIJIPVEYBO-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1OC ZINC000162126594 496300627 /nfs/dbraw/zinc/30/06/27/496300627.db2.gz RYJJTIJIPVEYBO-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000162650949 496389422 /nfs/dbraw/zinc/38/94/22/496389422.db2.gz KUKNAEGJDHXBIV-UHFFFAOYSA-N 1 2 366.465 3.386 20 30 FGEDLO COCc1cccc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)c1 ZINC000172816450 496444887 /nfs/dbraw/zinc/44/48/87/496444887.db2.gz NIOVQEYEOQNZKW-FNORWQNLSA-N 1 2 367.445 3.267 20 30 FGEDLO CSCC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1nnc2ccccn21 ZINC000184603910 496460935 /nfs/dbraw/zinc/46/09/35/496460935.db2.gz UNIJKTFNDRPMPC-INIZCTEOSA-N 1 2 355.442 3.324 20 30 FGEDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000157672312 496526791 /nfs/dbraw/zinc/52/67/91/496526791.db2.gz ASVJAWVAJJHHQW-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000184845157 496553503 /nfs/dbraw/zinc/55/35/03/496553503.db2.gz NKCDASQKAJHJFW-UHFFFAOYSA-N 1 2 371.462 3.093 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000184845157 496553508 /nfs/dbraw/zinc/55/35/08/496553508.db2.gz NKCDASQKAJHJFW-UHFFFAOYSA-N 1 2 371.462 3.093 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000178899998 496610668 /nfs/dbraw/zinc/61/06/68/496610668.db2.gz BMGMESKSNWGQLP-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000178899998 496610671 /nfs/dbraw/zinc/61/06/71/496610671.db2.gz BMGMESKSNWGQLP-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(C#N)CC3)cs2)cc1 ZINC000173267658 496619162 /nfs/dbraw/zinc/61/91/62/496619162.db2.gz IKDLRXYKIKULDJ-UHFFFAOYSA-N 1 2 354.479 3.368 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176071562 496671188 /nfs/dbraw/zinc/67/11/88/496671188.db2.gz HFNHVPNSLCRESW-UHFFFAOYSA-N 1 2 363.368 3.334 20 30 FGEDLO COc1cccc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000194883403 496746943 /nfs/dbraw/zinc/74/69/43/496746943.db2.gz GXYCAQOHFBWCFA-UHFFFAOYSA-N 1 2 355.463 3.446 20 30 FGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000263937368 496767419 /nfs/dbraw/zinc/76/74/19/496767419.db2.gz HAPNEJWTHMSFFO-BQYQJAHWSA-N 1 2 363.339 3.468 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000191453309 496767762 /nfs/dbraw/zinc/76/77/62/496767762.db2.gz ISBRBEIVKDDSOZ-INIZCTEOSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000191453309 496767767 /nfs/dbraw/zinc/76/77/67/496767767.db2.gz ISBRBEIVKDDSOZ-INIZCTEOSA-N 1 2 371.462 3.407 20 30 FGEDLO N#CCCCCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000264071901 496805435 /nfs/dbraw/zinc/80/54/35/496805435.db2.gz BJTJOZZGJRUISD-UHFFFAOYSA-N 1 2 363.465 3.137 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000195167971 496840858 /nfs/dbraw/zinc/84/08/58/496840858.db2.gz DZDUVPVQTGTGDZ-FQEVSTJZSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000195167971 496840862 /nfs/dbraw/zinc/84/08/62/496840862.db2.gz DZDUVPVQTGTGDZ-FQEVSTJZSA-N 1 2 358.486 3.444 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000247643504 496899136 /nfs/dbraw/zinc/89/91/36/496899136.db2.gz IVKPVXCODLNQSA-DAXSKMNVSA-N 1 2 359.473 3.348 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191831818 496904010 /nfs/dbraw/zinc/90/40/10/496904010.db2.gz YUQRVYKNDGCBBA-CABCVRRESA-N 1 2 362.495 3.034 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191831818 496904013 /nfs/dbraw/zinc/90/40/13/496904013.db2.gz YUQRVYKNDGCBBA-CABCVRRESA-N 1 2 362.495 3.034 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269370133 496930771 /nfs/dbraw/zinc/93/07/71/496930771.db2.gz HPWLVLJOIOIDRW-CQSZACIVSA-N 1 2 353.426 3.480 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278068531 496993435 /nfs/dbraw/zinc/99/34/35/496993435.db2.gz OBPSSARWSIVMBT-HNNXBMFYSA-N 1 2 374.510 3.067 20 30 FGEDLO C#CCC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274297556 497064060 /nfs/dbraw/zinc/06/40/60/497064060.db2.gz DOMSDDLYIFFDJG-UHFFFAOYSA-N 1 2 362.271 3.113 20 30 FGEDLO C[C@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)n1cc[nH+]c1 ZINC000569225489 505883182 /nfs/dbraw/zinc/88/31/82/505883182.db2.gz IDXWCVCVKFFRGX-LLVKDONJSA-N 1 2 352.316 3.286 20 30 FGEDLO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)cc1 ZINC000574919890 505883633 /nfs/dbraw/zinc/88/36/33/505883633.db2.gz PICXQQIBUHXHSK-NRFANRHFSA-N 1 2 365.433 3.255 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189677073 497207294 /nfs/dbraw/zinc/20/72/94/497207294.db2.gz PPHLRGUVVHEUNF-SJORKVTESA-N 1 2 369.868 3.068 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189677073 497207298 /nfs/dbraw/zinc/20/72/98/497207298.db2.gz PPHLRGUVVHEUNF-SJORKVTESA-N 1 2 369.868 3.068 20 30 FGEDLO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000275163950 497247486 /nfs/dbraw/zinc/24/74/86/497247486.db2.gz VDZLNMOVAFKDHS-KBXCAEBGSA-N 1 2 358.461 3.078 20 30 FGEDLO CNC(=O)C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(C(F)(F)F)c1 ZINC000271193179 497286777 /nfs/dbraw/zinc/28/67/77/497286777.db2.gz QBTQROAWSDKOCA-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO CNC(=O)C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(C(F)(F)F)c1 ZINC000271193179 497286783 /nfs/dbraw/zinc/28/67/83/497286783.db2.gz QBTQROAWSDKOCA-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193750893 497468170 /nfs/dbraw/zinc/46/81/70/497468170.db2.gz DYUDSFPQXQXQIJ-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193750893 497468175 /nfs/dbraw/zinc/46/81/75/497468175.db2.gz DYUDSFPQXQXQIJ-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ncccc3OCCCC#N)cn2c1 ZINC000276064659 497491187 /nfs/dbraw/zinc/49/11/87/497491187.db2.gz KVIKHZVWLYNROS-UHFFFAOYSA-N 1 2 364.409 3.042 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000193853036 497501296 /nfs/dbraw/zinc/50/12/96/497501296.db2.gz BJEITIBWGWTHTF-UHFFFAOYSA-N 1 2 365.437 3.307 20 30 FGEDLO N#CCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000267358328 497532450 /nfs/dbraw/zinc/53/24/50/497532450.db2.gz HNHCKSRAGYVXAV-UHFFFAOYSA-N 1 2 356.207 3.048 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245772974 497535430 /nfs/dbraw/zinc/53/54/30/497535430.db2.gz SSAYLKXRZJVDTM-MSOLQXFVSA-N 1 2 363.889 3.095 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245772974 497535433 /nfs/dbraw/zinc/53/54/33/497535433.db2.gz SSAYLKXRZJVDTM-MSOLQXFVSA-N 1 2 363.889 3.095 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000279794190 497544459 /nfs/dbraw/zinc/54/44/59/497544459.db2.gz KXLOAWVASUGODC-UHFFFAOYSA-N 1 2 374.444 3.459 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267419383 497547639 /nfs/dbraw/zinc/54/76/39/497547639.db2.gz CHDHPZNYADOPDH-UHFFFAOYSA-N 1 2 361.352 3.294 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000190728611 497587468 /nfs/dbraw/zinc/58/74/68/497587468.db2.gz ZNYALEMIRQAZPP-GJZGRUSLSA-N 1 2 365.433 3.125 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc2O1 ZINC000575090147 505918670 /nfs/dbraw/zinc/91/86/70/505918670.db2.gz NHAMYUIIDQFBTK-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc2O1 ZINC000575090147 505918673 /nfs/dbraw/zinc/91/86/73/505918673.db2.gz NHAMYUIIDQFBTK-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c2[nH+]ccn21 ZINC000575091928 505918728 /nfs/dbraw/zinc/91/87/28/505918728.db2.gz FCXOLKMDFCUPBG-WFASDCNBSA-N 1 2 362.355 3.259 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000272470641 497638070 /nfs/dbraw/zinc/63/80/70/497638070.db2.gz QBSGSAZCIXSNLK-UHFFFAOYSA-N 1 2 354.454 3.215 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000272510669 497647671 /nfs/dbraw/zinc/64/76/71/497647671.db2.gz HSNXKQDOBQXJIN-UHFFFAOYSA-N 1 2 365.481 3.351 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000272511015 497648165 /nfs/dbraw/zinc/64/81/65/497648165.db2.gz GFWQZUJRXCJETR-INIZCTEOSA-N 1 2 353.422 3.108 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000272511015 497648171 /nfs/dbraw/zinc/64/81/71/497648171.db2.gz GFWQZUJRXCJETR-INIZCTEOSA-N 1 2 353.422 3.108 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000272535993 497655197 /nfs/dbraw/zinc/65/51/97/497655197.db2.gz JALQWGSXGFKZIL-UHFFFAOYSA-N 1 2 351.204 3.218 20 30 FGEDLO Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000329542670 497824809 /nfs/dbraw/zinc/82/48/09/497824809.db2.gz XXRJCKIJXQEDPC-BETUJISGSA-N 1 2 370.453 3.374 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000288559442 497832127 /nfs/dbraw/zinc/83/21/27/497832127.db2.gz VTZZOZQNLMXWET-QFBILLFUSA-N 1 2 354.454 3.241 20 30 FGEDLO O=C(C[N@H+]1CCSC[C@H]1CO)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000329645172 497855346 /nfs/dbraw/zinc/85/53/46/497855346.db2.gz JHDPFZLYAFBBMU-IEBWSBKVSA-N 1 2 366.502 3.423 20 30 FGEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000329645172 497855349 /nfs/dbraw/zinc/85/53/49/497855349.db2.gz JHDPFZLYAFBBMU-IEBWSBKVSA-N 1 2 366.502 3.423 20 30 FGEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659863 497860149 /nfs/dbraw/zinc/86/01/49/497860149.db2.gz OGJIXXXEHZYNFM-IIYDPXPESA-N 1 2 352.504 3.078 20 30 FGEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659863 497860154 /nfs/dbraw/zinc/86/01/54/497860154.db2.gz OGJIXXXEHZYNFM-IIYDPXPESA-N 1 2 352.504 3.078 20 30 FGEDLO Cc1cc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c2cccc(F)c2[nH+]1 ZINC000329733102 497882613 /nfs/dbraw/zinc/88/26/13/497882613.db2.gz QQCAUPWQCKZARM-LJQANCHMSA-N 1 2 357.429 3.379 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000329732005 497883072 /nfs/dbraw/zinc/88/30/72/497883072.db2.gz PZTRQHOWDFTOSE-AWEZNQCLSA-N 1 2 369.856 3.305 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000329732005 497883076 /nfs/dbraw/zinc/88/30/76/497883076.db2.gz PZTRQHOWDFTOSE-AWEZNQCLSA-N 1 2 369.856 3.305 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000364327760 497902772 /nfs/dbraw/zinc/90/27/72/497902772.db2.gz KUDYDHSFRPAXNQ-ZDUSSCGKSA-N 1 2 360.458 3.195 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000296068403 497909591 /nfs/dbraw/zinc/90/95/91/497909591.db2.gz VDXXSCTYFDRKGZ-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000296068403 497909595 /nfs/dbraw/zinc/90/95/95/497909595.db2.gz VDXXSCTYFDRKGZ-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000329817559 497912069 /nfs/dbraw/zinc/91/20/69/497912069.db2.gz WTDGUYRMRYRFJK-VIPLHTEESA-N 1 2 368.481 3.398 20 30 FGEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[C@@H]1O ZINC000329823919 497915073 /nfs/dbraw/zinc/91/50/73/497915073.db2.gz QKWLKYVGIAHMEI-KSSFIOAISA-N 1 2 354.454 3.135 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2cccnc2)CC1 ZINC000364358236 497918085 /nfs/dbraw/zinc/91/80/85/497918085.db2.gz TXVLYKQCVQGMRK-UHFFFAOYSA-N 1 2 354.841 3.457 20 30 FGEDLO Cc1cnc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372372 497925226 /nfs/dbraw/zinc/92/52/26/497925226.db2.gz COVFYDNLBUZCJR-HUUCEWRRSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1cnc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372372 497925230 /nfs/dbraw/zinc/92/52/30/497925230.db2.gz COVFYDNLBUZCJR-HUUCEWRRSA-N 1 2 372.519 3.370 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)n2)C1 ZINC000329855492 497929246 /nfs/dbraw/zinc/92/92/46/497929246.db2.gz UCIWYVOLOCOFRG-LUYZLQTOSA-N 1 2 365.499 3.015 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)n2)C1 ZINC000329855492 497929252 /nfs/dbraw/zinc/92/92/52/497929252.db2.gz UCIWYVOLOCOFRG-LUYZLQTOSA-N 1 2 365.499 3.015 20 30 FGEDLO Cc1cc(N[C@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)c(C#N)cn1 ZINC000575258651 505951505 /nfs/dbraw/zinc/95/15/05/505951505.db2.gz SBVRCPAHFDGESN-HNNXBMFYSA-N 1 2 365.387 3.252 20 30 FGEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)NCC1(c2ccc(F)cc2)CCC1 ZINC000329894742 497942749 /nfs/dbraw/zinc/94/27/49/497942749.db2.gz BOWQJBSXOWZASD-OAHLLOKOSA-N 1 2 356.445 3.210 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329896125 497944538 /nfs/dbraw/zinc/94/45/38/497944538.db2.gz CHKPBNRQTFVKBA-WBVHZDCISA-N 1 2 374.485 3.374 20 30 FGEDLO CC[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)O1 ZINC000329950283 497966263 /nfs/dbraw/zinc/96/62/63/497966263.db2.gz CEODNMVRFJYWTQ-MPTYRVRUSA-N 1 2 353.438 3.118 20 30 FGEDLO CC[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)O1 ZINC000329950283 497966272 /nfs/dbraw/zinc/96/62/72/497966272.db2.gz CEODNMVRFJYWTQ-MPTYRVRUSA-N 1 2 353.438 3.118 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)sc1C ZINC000330098945 498020744 /nfs/dbraw/zinc/02/07/44/498020744.db2.gz CLSLMTLPSRQSFJ-ZUCKAHLUSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)sc1C ZINC000330098945 498020750 /nfs/dbraw/zinc/02/07/50/498020750.db2.gz CLSLMTLPSRQSFJ-ZUCKAHLUSA-N 1 2 353.488 3.006 20 30 FGEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330101398 498021447 /nfs/dbraw/zinc/02/14/47/498021447.db2.gz FMNAHKIUMHYCJR-UHFFFAOYSA-N 1 2 372.509 3.336 20 30 FGEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000330101398 498021451 /nfs/dbraw/zinc/02/14/51/498021451.db2.gz FMNAHKIUMHYCJR-UHFFFAOYSA-N 1 2 372.509 3.336 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330119382 498028705 /nfs/dbraw/zinc/02/87/05/498028705.db2.gz ZTULECLJOZRFMG-NWANDNLSSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330119382 498028709 /nfs/dbraw/zinc/02/87/09/498028709.db2.gz ZTULECLJOZRFMG-NWANDNLSSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330135044 498033849 /nfs/dbraw/zinc/03/38/49/498033849.db2.gz SJVZONRVEWTXTA-WNYOCNMUSA-N 1 2 362.445 3.256 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@]2(CCCOC2)O1 ZINC000330135044 498033853 /nfs/dbraw/zinc/03/38/53/498033853.db2.gz SJVZONRVEWTXTA-WNYOCNMUSA-N 1 2 362.445 3.256 20 30 FGEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000330193286 498056954 /nfs/dbraw/zinc/05/69/54/498056954.db2.gz YMCAAOUJSNJFEA-HXUWFJFHSA-N 1 2 368.481 3.094 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330236728 498072688 /nfs/dbraw/zinc/07/26/88/498072688.db2.gz AIWAGKRHYHQFTC-CVEARBPZSA-N 1 2 356.474 3.069 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCOCC4)n2)C1 ZINC000330254327 498080956 /nfs/dbraw/zinc/08/09/56/498080956.db2.gz JJRRWUUNTIKIJR-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCOCC4)n2)C1 ZINC000330254327 498080961 /nfs/dbraw/zinc/08/09/61/498080961.db2.gz JJRRWUUNTIKIJR-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)on1 ZINC000301378917 498083180 /nfs/dbraw/zinc/08/31/80/498083180.db2.gz ZFLZJKLFLPSODM-UHFFFAOYSA-N 1 2 361.449 3.342 20 30 FGEDLO CC[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)C(F)(F)F ZINC000569638308 505981950 /nfs/dbraw/zinc/98/19/50/505981950.db2.gz OKRDBPMLLNRXGB-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)C(F)(F)F ZINC000569638308 505981952 /nfs/dbraw/zinc/98/19/52/505981952.db2.gz OKRDBPMLLNRXGB-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330347067 498113297 /nfs/dbraw/zinc/11/32/97/498113297.db2.gz HISRASQXDJIZEJ-ZDUSSCGKSA-N 1 2 351.813 3.127 20 30 FGEDLO C#CCCOc1ccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000296651598 498138536 /nfs/dbraw/zinc/13/85/36/498138536.db2.gz IZHXKXWXUNWUTF-UHFFFAOYSA-N 1 2 353.466 3.400 20 30 FGEDLO Cc1cc(C)c2ncc(C#N)c(N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)c2c1 ZINC000301505772 498139696 /nfs/dbraw/zinc/13/96/96/498139696.db2.gz CQZLKDJRWGDAKW-OAHLLOKOSA-N 1 2 365.506 3.337 20 30 FGEDLO N#Cc1csc(CNc2cccc(-c3ccc4c(c3)OCCO4)[nH+]2)n1 ZINC000572537397 505992360 /nfs/dbraw/zinc/99/23/60/505992360.db2.gz NPNZZEWMFRUHJV-UHFFFAOYSA-N 1 2 350.403 3.460 20 30 FGEDLO COc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1O ZINC000330750253 498186215 /nfs/dbraw/zinc/18/62/15/498186215.db2.gz URHJWBGCVPBQFQ-RYUDHWBXSA-N 1 2 370.877 3.247 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000285764787 498194609 /nfs/dbraw/zinc/19/46/09/498194609.db2.gz SWRUOYPHDIELKZ-KSSFIOAISA-N 1 2 354.429 3.281 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000281827452 498284944 /nfs/dbraw/zinc/28/49/44/498284944.db2.gz PNCQEEJBBHKYGP-JZXOWHBKSA-N 1 2 363.527 3.118 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1C ZINC000286137016 498301766 /nfs/dbraw/zinc/30/17/66/498301766.db2.gz MXPXKCYYJMKGKV-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1C ZINC000286137016 498301774 /nfs/dbraw/zinc/30/17/74/498301774.db2.gz MXPXKCYYJMKGKV-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)ccc1OC ZINC000578755289 506013432 /nfs/dbraw/zinc/01/34/32/506013432.db2.gz APHJJLSBKYPRNT-KPNPRUKOSA-N 1 2 351.512 3.382 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)ccc1OC ZINC000578755289 506013435 /nfs/dbraw/zinc/01/34/35/506013435.db2.gz APHJJLSBKYPRNT-KPNPRUKOSA-N 1 2 351.512 3.382 20 30 FGEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c2ccccc2)n1C ZINC000361283773 498369063 /nfs/dbraw/zinc/36/90/63/498369063.db2.gz IXMOWKTZBNIGKJ-QRWLVFNGSA-N 1 2 361.449 3.294 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)c(OC)c1 ZINC000282305918 498460258 /nfs/dbraw/zinc/46/02/58/498460258.db2.gz MTALYBJBIMWRTD-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C#N)c(OC)c1 ZINC000282305918 498460265 /nfs/dbraw/zinc/46/02/65/498460265.db2.gz MTALYBJBIMWRTD-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000578874107 506042193 /nfs/dbraw/zinc/04/21/93/506042193.db2.gz RLPRZDUCCATLGI-UHFFFAOYSA-N 1 2 364.405 3.049 20 30 FGEDLO C[C@](O)(C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1)C(F)(F)F ZINC000575966376 506044579 /nfs/dbraw/zinc/04/45/79/506044579.db2.gz LIAYOJZJMXGDBS-KRWDZBQOSA-N 1 2 351.372 3.336 20 30 FGEDLO C=CCC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000287055724 498609333 /nfs/dbraw/zinc/60/93/33/498609333.db2.gz NBUVFVBOCGLQLX-RLLQIKCJSA-N 1 2 357.498 3.199 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000363037430 498615853 /nfs/dbraw/zinc/61/58/53/498615853.db2.gz FRTHXWSEXMAKNS-INIZCTEOSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000363037430 498615858 /nfs/dbraw/zinc/61/58/58/498615858.db2.gz FRTHXWSEXMAKNS-INIZCTEOSA-N 1 2 358.401 3.361 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000581816206 506067727 /nfs/dbraw/zinc/06/77/27/506067727.db2.gz YUKJZVFURATSKG-QKLQHJQFSA-N 1 2 368.481 3.110 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C#N)cc1N(C)C ZINC000332415199 498681584 /nfs/dbraw/zinc/68/15/84/498681584.db2.gz UCARIJXHFGLRTR-UHFFFAOYSA-N 1 2 352.442 3.067 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)cc1N(C)C ZINC000332415199 498681588 /nfs/dbraw/zinc/68/15/88/498681588.db2.gz UCARIJXHFGLRTR-UHFFFAOYSA-N 1 2 352.442 3.067 20 30 FGEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1cccs1 ZINC000363213611 498706693 /nfs/dbraw/zinc/70/66/93/498706693.db2.gz ABKZCQNEJKULMP-LJQANCHMSA-N 1 2 353.491 3.137 20 30 FGEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1cccs1 ZINC000363213611 498706703 /nfs/dbraw/zinc/70/67/03/498706703.db2.gz ABKZCQNEJKULMP-LJQANCHMSA-N 1 2 353.491 3.137 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000287605122 498811277 /nfs/dbraw/zinc/81/12/77/498811277.db2.gz DLTBTFPEEBULAJ-UHFFFAOYSA-N 1 2 367.312 3.419 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000287605122 498811282 /nfs/dbraw/zinc/81/12/82/498811282.db2.gz DLTBTFPEEBULAJ-UHFFFAOYSA-N 1 2 367.312 3.419 20 30 FGEDLO Cc1ccc(NC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000363457234 498831566 /nfs/dbraw/zinc/83/15/66/498831566.db2.gz RFNTZHXUVZRJRO-UHFFFAOYSA-N 1 2 354.479 3.443 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2F)n1C ZINC000328629468 498882470 /nfs/dbraw/zinc/88/24/70/498882470.db2.gz IGPDZVCNVIIUBS-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)n1C ZINC000328629468 498882477 /nfs/dbraw/zinc/88/24/77/498882477.db2.gz IGPDZVCNVIIUBS-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3ccccc3F)C1)CCC2 ZINC000328654065 498890378 /nfs/dbraw/zinc/89/03/78/498890378.db2.gz LOAQGDHIJQHOKE-YJBOKZPZSA-N 1 2 372.444 3.196 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3cccs3)C1)CCC2 ZINC000328656658 498891754 /nfs/dbraw/zinc/89/17/54/498891754.db2.gz OBSKDLGAZTTZHI-LSDHHAIUSA-N 1 2 360.483 3.118 20 30 FGEDLO COc1ccc([C@@H]2CCN(C([O-])=[NH+]C[C@H]3CCCn4cc(C)[nH+]c43)C2)cc1 ZINC000328663221 498894983 /nfs/dbraw/zinc/89/49/83/498894983.db2.gz XUHDETPURRPHRK-QZTJIDSGSA-N 1 2 368.481 3.481 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570220404 506118465 /nfs/dbraw/zinc/11/84/65/506118465.db2.gz CMLWUERYHHMCTQ-RISCZKNCSA-N 1 2 351.237 3.132 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000366377585 498900400 /nfs/dbraw/zinc/90/04/00/498900400.db2.gz JLDIBJDSQDIUBX-IEBWSBKVSA-N 1 2 350.466 3.289 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000328730218 498918122 /nfs/dbraw/zinc/91/81/22/498918122.db2.gz FYVXVIJWJSMRPB-WBVHZDCISA-N 1 2 350.426 3.197 20 30 FGEDLO CC1(C)Cc2cc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000328732043 498918842 /nfs/dbraw/zinc/91/88/42/498918842.db2.gz IWMQJDVSDDLBJU-INIZCTEOSA-N 1 2 352.438 3.400 20 30 FGEDLO N#Cc1cccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000573089801 506116851 /nfs/dbraw/zinc/11/68/51/506116851.db2.gz QTFVSNYPFUHDQL-UHFFFAOYSA-N 1 2 350.426 3.050 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000333285981 498965564 /nfs/dbraw/zinc/96/55/64/498965564.db2.gz JZFXLOADSBQQTP-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000333285981 498965568 /nfs/dbraw/zinc/96/55/68/498965568.db2.gz JZFXLOADSBQQTP-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329056992 499027856 /nfs/dbraw/zinc/02/78/56/499027856.db2.gz IJXBONPPSBSCRC-XNEUDSRLSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329056992 499027862 /nfs/dbraw/zinc/02/78/62/499027862.db2.gz IJXBONPPSBSCRC-XNEUDSRLSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000329169717 499062229 /nfs/dbraw/zinc/06/22/29/499062229.db2.gz JGMOUUTYVCRODZ-KBXCAEBGSA-N 1 2 372.513 3.498 20 30 FGEDLO O=C(Nc1cccc(-c2nnc[nH]2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329217379 499074915 /nfs/dbraw/zinc/07/49/15/499074915.db2.gz QAQSGHJGMZZJFC-INIZCTEOSA-N 1 2 357.483 3.277 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291825297 499078900 /nfs/dbraw/zinc/07/89/00/499078900.db2.gz OAMZNEFKIOHUQA-CVEARBPZSA-N 1 2 374.428 3.385 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291825297 499078907 /nfs/dbraw/zinc/07/89/07/499078907.db2.gz OAMZNEFKIOHUQA-CVEARBPZSA-N 1 2 374.428 3.385 20 30 FGEDLO CC(C)[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000329260232 499085390 /nfs/dbraw/zinc/08/53/90/499085390.db2.gz YXAWLJKLMAOOHY-ZBFHGGJFSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000329260232 499085395 /nfs/dbraw/zinc/08/53/95/499085395.db2.gz YXAWLJKLMAOOHY-ZBFHGGJFSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCCC[C@H]1c1cn[nH]c1)C2 ZINC000329298222 499093542 /nfs/dbraw/zinc/09/35/42/499093542.db2.gz UMGGBDCJAANZLA-HOTGVXAUSA-N 1 2 370.501 3.360 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)[C@@]12CCCO2 ZINC000329370008 499110662 /nfs/dbraw/zinc/11/06/62/499110662.db2.gz INFQXODAAPHUSQ-NSHGMRRFSA-N 1 2 357.454 3.418 20 30 FGEDLO O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329369676 499111090 /nfs/dbraw/zinc/11/10/90/499111090.db2.gz IJDYJKOFYBWYJP-CRAIPNDOSA-N 1 2 357.454 3.362 20 30 FGEDLO O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329369676 499111091 /nfs/dbraw/zinc/11/10/91/499111091.db2.gz IJDYJKOFYBWYJP-CRAIPNDOSA-N 1 2 357.454 3.362 20 30 FGEDLO C[N@@H+]1CCc2ncnc(NC3CCC(Oc4ccccc4C#N)CC3)c2C1 ZINC000329408417 499116318 /nfs/dbraw/zinc/11/63/18/499116318.db2.gz BKHQDSGLBCQIFF-UHFFFAOYSA-N 1 2 363.465 3.138 20 30 FGEDLO C[N@H+]1CCc2ncnc(NC3CCC(Oc4ccccc4C#N)CC3)c2C1 ZINC000329408417 499116320 /nfs/dbraw/zinc/11/63/20/499116320.db2.gz BKHQDSGLBCQIFF-UHFFFAOYSA-N 1 2 363.465 3.138 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329456427 499124442 /nfs/dbraw/zinc/12/44/42/499124442.db2.gz NIWUQBHGKLQDKP-UHFFFAOYSA-N 1 2 354.454 3.190 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329456427 499124443 /nfs/dbraw/zinc/12/44/43/499124443.db2.gz NIWUQBHGKLQDKP-UHFFFAOYSA-N 1 2 354.454 3.190 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000576335214 506133628 /nfs/dbraw/zinc/13/36/28/506133628.db2.gz HXRNVAPNACCFBK-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000576335214 506133631 /nfs/dbraw/zinc/13/36/31/506133631.db2.gz HXRNVAPNACCFBK-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370225529 499199211 /nfs/dbraw/zinc/19/92/11/499199211.db2.gz VJXBQSZEXJFHNY-YQQAZPJKSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370225529 499199212 /nfs/dbraw/zinc/19/92/12/499199212.db2.gz VJXBQSZEXJFHNY-YQQAZPJKSA-N 1 2 359.495 3.130 20 30 FGEDLO Cc1cc([C@@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2cc(C)on2)no1 ZINC000367446544 499199772 /nfs/dbraw/zinc/19/97/72/499199772.db2.gz FRKMPGGYNUUNFH-PMACEKPBSA-N 1 2 354.454 3.257 20 30 FGEDLO Cc1cc([C@@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2cc(C)on2)no1 ZINC000367446544 499199773 /nfs/dbraw/zinc/19/97/73/499199773.db2.gz FRKMPGGYNUUNFH-PMACEKPBSA-N 1 2 354.454 3.257 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367457844 499200965 /nfs/dbraw/zinc/20/09/65/499200965.db2.gz HVVLVVBZPKBYJV-BEFAXECRSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000367457844 499200967 /nfs/dbraw/zinc/20/09/67/499200967.db2.gz HVVLVVBZPKBYJV-BEFAXECRSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000367457845 499201006 /nfs/dbraw/zinc/20/10/06/499201006.db2.gz HVVLVVBZPKBYJV-DNVCBOLYSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000367457845 499201007 /nfs/dbraw/zinc/20/10/07/499201007.db2.gz HVVLVVBZPKBYJV-DNVCBOLYSA-N 1 2 359.495 3.274 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ncccc2C1)c1cccc(Cl)c1 ZINC000367851036 499238397 /nfs/dbraw/zinc/23/83/97/499238397.db2.gz TUEQABIFUFHIPE-UHFFFAOYSA-N 1 2 354.841 3.040 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2ncccc2C1)c1cccc(Cl)c1 ZINC000367851036 499238398 /nfs/dbraw/zinc/23/83/98/499238398.db2.gz TUEQABIFUFHIPE-UHFFFAOYSA-N 1 2 354.841 3.040 20 30 FGEDLO Cc1cnc([C@H]2CCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)s1 ZINC000371340596 499312875 /nfs/dbraw/zinc/31/28/75/499312875.db2.gz GMOMIZJNRAYZCU-QGZVFWFLSA-N 1 2 354.479 3.167 20 30 FGEDLO Cc1cnc([C@H]2CCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)s1 ZINC000371340596 499312876 /nfs/dbraw/zinc/31/28/76/499312876.db2.gz GMOMIZJNRAYZCU-QGZVFWFLSA-N 1 2 354.479 3.167 20 30 FGEDLO CC(C)(C)c1ncc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458580 499329445 /nfs/dbraw/zinc/32/94/45/499329445.db2.gz LENCICAMMPXOHR-RNODOKPDSA-N 1 2 366.490 3.286 20 30 FGEDLO CC(C)(C)c1ncc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458580 499329446 /nfs/dbraw/zinc/32/94/46/499329446.db2.gz LENCICAMMPXOHR-RNODOKPDSA-N 1 2 366.490 3.286 20 30 FGEDLO COCOc1ccc(OC)cc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371464615 499330346 /nfs/dbraw/zinc/33/03/46/499330346.db2.gz UYMOMCLEOHDNEF-NRFANRHFSA-N 1 2 368.433 3.123 20 30 FGEDLO COCOc1ccc(OC)cc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371464615 499330347 /nfs/dbraw/zinc/33/03/47/499330347.db2.gz UYMOMCLEOHDNEF-NRFANRHFSA-N 1 2 368.433 3.123 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000371478389 499332403 /nfs/dbraw/zinc/33/24/03/499332403.db2.gz WRWLNBITOJJYQA-QFIPXVFZSA-N 1 2 358.445 3.160 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656950 499351591 /nfs/dbraw/zinc/35/15/91/499351591.db2.gz WXKCYEYJTYSQHP-QUCCMNQESA-N 1 2 360.417 3.069 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656950 499351593 /nfs/dbraw/zinc/35/15/93/499351593.db2.gz WXKCYEYJTYSQHP-QUCCMNQESA-N 1 2 360.417 3.069 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123618 499368014 /nfs/dbraw/zinc/36/80/14/499368014.db2.gz DBTLDUWXYBBDNT-PGRDOPGGSA-N 1 2 364.493 3.419 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123618 499368015 /nfs/dbraw/zinc/36/80/15/499368015.db2.gz DBTLDUWXYBBDNT-PGRDOPGGSA-N 1 2 364.493 3.419 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000369214436 499378168 /nfs/dbraw/zinc/37/81/68/499378168.db2.gz KBSJGWKRXIKXAP-RTBURBONSA-N 1 2 366.509 3.120 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000371923972 499380072 /nfs/dbraw/zinc/38/00/72/499380072.db2.gz WQUPUSWWILMGKM-DLBZAZTESA-N 1 2 355.463 3.417 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000371923972 499380073 /nfs/dbraw/zinc/38/00/73/499380073.db2.gz WQUPUSWWILMGKM-DLBZAZTESA-N 1 2 355.463 3.417 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000369289648 499388127 /nfs/dbraw/zinc/38/81/27/499388127.db2.gz CERAUTOEGLEIPS-HSZRJFAPSA-N 1 2 370.456 3.257 20 30 FGEDLO COc1ccccc1-c1noc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000372977598 499445463 /nfs/dbraw/zinc/44/54/63/499445463.db2.gz FNKVJYSQURIHHF-HNNXBMFYSA-N 1 2 365.437 3.368 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1OC ZINC000373752386 499486475 /nfs/dbraw/zinc/48/64/75/499486475.db2.gz WMQBXROOEALJDC-MSOLQXFVSA-N 1 2 359.466 3.220 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1OC ZINC000373752386 499486476 /nfs/dbraw/zinc/48/64/76/499486476.db2.gz WMQBXROOEALJDC-MSOLQXFVSA-N 1 2 359.466 3.220 20 30 FGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000375261592 499500385 /nfs/dbraw/zinc/50/03/85/499500385.db2.gz DAIGKOYYRQDBFT-HXUWFJFHSA-N 1 2 353.466 3.013 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000375261592 499500387 /nfs/dbraw/zinc/50/03/87/499500387.db2.gz DAIGKOYYRQDBFT-HXUWFJFHSA-N 1 2 353.466 3.013 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@]23CCOC3)sc2c1CCCCC2 ZINC000375326309 499507391 /nfs/dbraw/zinc/50/73/91/499507391.db2.gz KEAXXRHCNPIIDK-IBGZPJMESA-N 1 2 359.495 3.082 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@]23CCOC3)sc2c1CCCCC2 ZINC000375326309 499507392 /nfs/dbraw/zinc/50/73/92/499507392.db2.gz KEAXXRHCNPIIDK-IBGZPJMESA-N 1 2 359.495 3.082 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1C ZINC000378488254 499523135 /nfs/dbraw/zinc/52/31/35/499523135.db2.gz NISHSUQUFLDMFI-SFHVURJKSA-N 1 2 351.454 3.110 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000375480706 499524131 /nfs/dbraw/zinc/52/41/31/499524131.db2.gz HXFMSQWKSMHJGQ-JUXOCIIHSA-N 1 2 362.477 3.185 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000378522295 499527526 /nfs/dbraw/zinc/52/75/26/499527526.db2.gz XCFUHVGUIGDQMU-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000378522295 499527527 /nfs/dbraw/zinc/52/75/27/499527527.db2.gz XCFUHVGUIGDQMU-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1C ZINC000375616833 499538188 /nfs/dbraw/zinc/53/81/88/499538188.db2.gz DPOBDWZDWKAKSI-UHFFFAOYSA-N 1 2 370.428 3.216 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CCCN(c4ccc(C#N)cc4)CC3)cc2n1C ZINC000375691307 499545763 /nfs/dbraw/zinc/54/57/63/499545763.db2.gz JNWPAHCMHJLPMY-UHFFFAOYSA-N 1 2 373.460 3.106 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411130822 499701117 /nfs/dbraw/zinc/70/11/17/499701117.db2.gz HCANYCRCFIQWGN-OAHLLOKOSA-N 1 2 364.902 3.319 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411130822 499701118 /nfs/dbraw/zinc/70/11/18/499701118.db2.gz HCANYCRCFIQWGN-OAHLLOKOSA-N 1 2 364.902 3.319 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411133189 499701251 /nfs/dbraw/zinc/70/12/51/499701251.db2.gz HFFVQNSCHPZPFK-QGZVFWFLSA-N 1 2 357.435 3.450 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411133189 499701252 /nfs/dbraw/zinc/70/12/52/499701252.db2.gz HFFVQNSCHPZPFK-QGZVFWFLSA-N 1 2 357.435 3.450 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377710945 499723863 /nfs/dbraw/zinc/72/38/63/499723863.db2.gz XHNJIAMTENEVOO-OAHLLOKOSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377710945 499723865 /nfs/dbraw/zinc/72/38/65/499723865.db2.gz XHNJIAMTENEVOO-OAHLLOKOSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)[nH+]cn2)C1 ZINC000413206120 499926704 /nfs/dbraw/zinc/92/67/04/499926704.db2.gz PJMHQVAXQNAHCG-CGTJXYLNSA-N 1 2 351.454 3.141 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)nc[nH+]2)C1 ZINC000413206120 499926706 /nfs/dbraw/zinc/92/67/06/499926706.db2.gz PJMHQVAXQNAHCG-CGTJXYLNSA-N 1 2 351.454 3.141 20 30 FGEDLO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc(C(F)(F)F)on1 ZINC000429252601 500035269 /nfs/dbraw/zinc/03/52/69/500035269.db2.gz LPNQZMICJRPMII-UHFFFAOYSA-N 1 2 352.316 3.028 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])c1 ZINC000573328506 506173299 /nfs/dbraw/zinc/17/32/99/506173299.db2.gz ORXSHJWZPCGAJM-HXUWFJFHSA-N 1 2 363.373 3.076 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])c1 ZINC000573328506 506173303 /nfs/dbraw/zinc/17/33/03/506173303.db2.gz ORXSHJWZPCGAJM-HXUWFJFHSA-N 1 2 363.373 3.076 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416682293 500085131 /nfs/dbraw/zinc/08/51/31/500085131.db2.gz KDQAUBUMYROEKO-IBGZPJMESA-N 1 2 359.433 3.125 20 30 FGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000425492638 500123058 /nfs/dbraw/zinc/12/30/58/500123058.db2.gz TVHPJZDFJVQKPZ-SECBINFHSA-N 1 2 367.377 3.254 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000414096703 500152993 /nfs/dbraw/zinc/15/29/93/500152993.db2.gz MJJWAPDTBFBLGC-SNVBAGLBSA-N 1 2 353.797 3.052 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000414096703 500152995 /nfs/dbraw/zinc/15/29/95/500152995.db2.gz MJJWAPDTBFBLGC-SNVBAGLBSA-N 1 2 353.797 3.052 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000582296802 506179752 /nfs/dbraw/zinc/17/97/52/506179752.db2.gz XEUMIFYBMLPKGL-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000582296802 506179756 /nfs/dbraw/zinc/17/97/56/506179756.db2.gz XEUMIFYBMLPKGL-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000425638851 500167562 /nfs/dbraw/zinc/16/75/62/500167562.db2.gz OCTITUVJCHCEMC-KRWDZBQOSA-N 1 2 363.461 3.224 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000430175912 500204216 /nfs/dbraw/zinc/20/42/16/500204216.db2.gz GCZLBICDPHKSPY-OAHLLOKOSA-N 1 2 357.845 3.156 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O2 ZINC000430254211 500215412 /nfs/dbraw/zinc/21/54/12/500215412.db2.gz GMIPYOHGZKKIJM-TYILLQQXSA-N 1 2 366.408 3.318 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O2 ZINC000430254211 500215414 /nfs/dbraw/zinc/21/54/14/500215414.db2.gz GMIPYOHGZKKIJM-TYILLQQXSA-N 1 2 366.408 3.318 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000570565063 506197231 /nfs/dbraw/zinc/19/72/31/506197231.db2.gz WZHRYNRJRAPHOH-KRWDZBQOSA-N 1 2 368.412 3.108 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000570565063 506197232 /nfs/dbraw/zinc/19/72/32/506197232.db2.gz WZHRYNRJRAPHOH-KRWDZBQOSA-N 1 2 368.412 3.108 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2cncc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000420586090 500475349 /nfs/dbraw/zinc/47/53/49/500475349.db2.gz ODUNIXOCORRGKJ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2cncc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000420586090 500475350 /nfs/dbraw/zinc/47/53/50/500475350.db2.gz ODUNIXOCORRGKJ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)o1 ZINC000428178612 500477263 /nfs/dbraw/zinc/47/72/63/500477263.db2.gz VSCKKOKXRLZILX-UHFFFAOYSA-N 1 2 358.401 3.039 20 30 FGEDLO N#CCCn1ncc(C(=O)Nc2cccc3[nH+]ccn32)c1-c1ccccc1 ZINC000428638782 500535844 /nfs/dbraw/zinc/53/58/44/500535844.db2.gz GUPGKPLQHVWEJK-UHFFFAOYSA-N 1 2 356.389 3.364 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)C1=O ZINC000428784433 500556895 /nfs/dbraw/zinc/55/68/95/500556895.db2.gz YDCGYURKNRRATF-RRQGHBQHSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)C1=O ZINC000428784433 500556898 /nfs/dbraw/zinc/55/68/98/500556898.db2.gz YDCGYURKNRRATF-RRQGHBQHSA-N 1 2 368.399 3.254 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000432781682 500562989 /nfs/dbraw/zinc/56/29/89/500562989.db2.gz SHTCXNAGVZZWGV-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000432781682 500562990 /nfs/dbraw/zinc/56/29/90/500562990.db2.gz SHTCXNAGVZZWGV-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO C=CCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000424832384 500569763 /nfs/dbraw/zinc/56/97/63/500569763.db2.gz UTLNNZDEIGHUFL-KRWDZBQOSA-N 1 2 357.498 3.298 20 30 FGEDLO N#Cc1nc(NCc2cn3cc(Cl)ccc3[nH+]2)ccc1C(F)(F)F ZINC000443428488 500723772 /nfs/dbraw/zinc/72/37/72/500723772.db2.gz OYPODSAQVFCHMH-UHFFFAOYSA-N 1 2 351.719 3.307 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000437990974 500725512 /nfs/dbraw/zinc/72/55/12/500725512.db2.gz WOZQGEXYOALXSH-AZUAARDMSA-N 1 2 368.481 3.054 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000444078291 500799692 /nfs/dbraw/zinc/79/96/92/500799692.db2.gz DFXAWBSPPDKLNY-UHFFFAOYSA-N 1 2 366.428 3.376 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000448889956 500862251 /nfs/dbraw/zinc/86/22/51/500862251.db2.gz FBXQHWBFKFECRP-LBPRGKRZSA-N 1 2 359.227 3.064 20 30 FGEDLO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439428311 500896000 /nfs/dbraw/zinc/89/60/00/500896000.db2.gz FNANPDISEVSBTL-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000602595789 506228392 /nfs/dbraw/zinc/22/83/92/506228392.db2.gz YWUSKZOWAPICHH-BRWVUGGUSA-N 1 2 358.486 3.206 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)ccc1OC ZINC000449573734 501036298 /nfs/dbraw/zinc/03/62/98/501036298.db2.gz TWYNHIWRLVTTLH-DEOSSOPVSA-N 1 2 351.512 3.383 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)ccc1OC ZINC000449573734 501036300 /nfs/dbraw/zinc/03/63/00/501036300.db2.gz TWYNHIWRLVTTLH-DEOSSOPVSA-N 1 2 351.512 3.383 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000440672497 501037521 /nfs/dbraw/zinc/03/75/21/501037521.db2.gz ORWDMGGUQYQZQL-UHFFFAOYSA-N 1 2 358.445 3.437 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3ncsc3C2)c1 ZINC000446082673 501071689 /nfs/dbraw/zinc/07/16/89/501071689.db2.gz RDDWQUUUPXOZCO-INIZCTEOSA-N 1 2 368.506 3.453 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3ncsc3C2)c1 ZINC000446082673 501071693 /nfs/dbraw/zinc/07/16/93/501071693.db2.gz RDDWQUUUPXOZCO-INIZCTEOSA-N 1 2 368.506 3.453 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441066338 501081956 /nfs/dbraw/zinc/08/19/56/501081956.db2.gz OOVIRMORNRATTF-INIZCTEOSA-N 1 2 355.482 3.175 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441066338 501081957 /nfs/dbraw/zinc/08/19/57/501081957.db2.gz OOVIRMORNRATTF-INIZCTEOSA-N 1 2 355.482 3.175 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC000450471222 501129693 /nfs/dbraw/zinc/12/96/93/501129693.db2.gz VXVWCOQMRQWRMH-AWEZNQCLSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC000450471222 501129696 /nfs/dbraw/zinc/12/96/96/501129696.db2.gz VXVWCOQMRQWRMH-AWEZNQCLSA-N 1 2 359.861 3.394 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000455453329 501306424 /nfs/dbraw/zinc/30/64/24/501306424.db2.gz BDBOWNYXKYINJA-HNNXBMFYSA-N 1 2 367.453 3.089 20 30 FGEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651069 506246042 /nfs/dbraw/zinc/24/60/42/506246042.db2.gz VDWZODLMRMVBIG-OALUTQOASA-N 1 2 369.900 3.407 20 30 FGEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651069 506246048 /nfs/dbraw/zinc/24/60/48/506246048.db2.gz VDWZODLMRMVBIG-OALUTQOASA-N 1 2 369.900 3.407 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000451660378 501346454 /nfs/dbraw/zinc/34/64/54/501346454.db2.gz GKPYCYDBNWCKKT-HXUWFJFHSA-N 1 2 354.425 3.106 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000458494247 501458130 /nfs/dbraw/zinc/45/81/30/501458130.db2.gz AZPVNAWTRTUJBO-UHFFFAOYSA-N 1 2 353.470 3.207 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000459260439 501620913 /nfs/dbraw/zinc/62/09/13/501620913.db2.gz QGSPAFOKKRIHBI-HOTGVXAUSA-N 1 2 358.486 3.357 20 30 FGEDLO C=C[C@@H](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)c1ccccc1 ZINC000456986957 501630772 /nfs/dbraw/zinc/63/07/72/501630772.db2.gz JXLDRNQXJZMPBP-IBGZPJMESA-N 1 2 368.477 3.300 20 30 FGEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349586 501636951 /nfs/dbraw/zinc/63/69/51/501636951.db2.gz NPAFQBIIAMFEDS-UHFFFAOYSA-N 1 2 367.405 3.422 20 30 FGEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349586 501636954 /nfs/dbraw/zinc/63/69/54/501636954.db2.gz NPAFQBIIAMFEDS-UHFFFAOYSA-N 1 2 367.405 3.422 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000459389539 501644951 /nfs/dbraw/zinc/64/49/51/501644951.db2.gz QYOONMJHAKAVDS-FQEVSTJZSA-N 1 2 365.389 3.479 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000459485416 501661770 /nfs/dbraw/zinc/66/17/70/501661770.db2.gz JFAMOUOLFMROAL-IBGZPJMESA-N 1 2 351.406 3.460 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000588312820 506268957 /nfs/dbraw/zinc/26/89/57/506268957.db2.gz WXYHKLBIWHEEGA-AWEZNQCLSA-N 1 2 374.242 3.386 20 30 FGEDLO CC(C)(NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(C#N)c1 ZINC000596123953 506270024 /nfs/dbraw/zinc/27/00/24/506270024.db2.gz TYVXSPXQEWIHOR-UHFFFAOYSA-N 1 2 363.465 3.288 20 30 FGEDLO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000477638677 501746224 /nfs/dbraw/zinc/74/62/24/501746224.db2.gz ADNGIOYYACAJGI-QGZVFWFLSA-N 1 2 359.376 3.349 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3coc(-c4ccccc4)n3)C2=O)cc1 ZINC000485250066 501769151 /nfs/dbraw/zinc/76/91/51/501769151.db2.gz YNISAVUPLBTTTO-FQEVSTJZSA-N 1 2 372.428 3.498 20 30 FGEDLO C=CC[C@H](CO)NC(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000467658557 501840488 /nfs/dbraw/zinc/84/04/88/501840488.db2.gz WDJLDYVKIFJQAQ-CXAGYDPISA-N 1 2 354.853 3.059 20 30 FGEDLO C=C(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000470910121 501850956 /nfs/dbraw/zinc/85/09/56/501850956.db2.gz XRKWSPLHTAVIJC-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO C=C(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000470910121 501850961 /nfs/dbraw/zinc/85/09/61/501850961.db2.gz XRKWSPLHTAVIJC-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO CCc1nnc(NCc2ccc(N3CCCCC3)[nH+]c2)c(C#N)c1CC ZINC000467729298 501855438 /nfs/dbraw/zinc/85/54/38/501855438.db2.gz CHLLEKZCJQBMBK-UHFFFAOYSA-N 1 2 350.470 3.470 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1C#N ZINC000478041628 501861996 /nfs/dbraw/zinc/86/19/96/501861996.db2.gz AZOHEDSOKDTQGU-KRWDZBQOSA-N 1 2 353.426 3.352 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000485715263 501912918 /nfs/dbraw/zinc/91/29/18/501912918.db2.gz HOKPRKMNSROQFU-BFUOFWGJSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000485715263 501912921 /nfs/dbraw/zinc/91/29/21/501912921.db2.gz HOKPRKMNSROQFU-BFUOFWGJSA-N 1 2 355.800 3.325 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000478408520 501971513 /nfs/dbraw/zinc/97/15/13/501971513.db2.gz MOVGSPXHVDGUAW-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000478408520 501971517 /nfs/dbraw/zinc/97/15/17/501971517.db2.gz MOVGSPXHVDGUAW-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000460996772 501985740 /nfs/dbraw/zinc/98/57/40/501985740.db2.gz AEUSRXSMEPBUOJ-HXUWFJFHSA-N 1 2 360.498 3.005 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000478592723 502027076 /nfs/dbraw/zinc/02/70/76/502027076.db2.gz KGIWNYRMSLNNRU-JOCHJYFZSA-N 1 2 358.445 3.302 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000482748121 502169421 /nfs/dbraw/zinc/16/94/21/502169421.db2.gz GILBBJGETVLCMV-UHFFFAOYSA-N 1 2 370.501 3.449 20 30 FGEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000461785156 502200495 /nfs/dbraw/zinc/20/04/95/502200495.db2.gz NJNCOKBZVJPRNH-IFXJQAMLSA-N 1 2 362.408 3.440 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475595836 502222813 /nfs/dbraw/zinc/22/28/13/502222813.db2.gz MSFMPXOLANGFNJ-HNNXBMFYSA-N 1 2 364.371 3.491 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472155789 502251237 /nfs/dbraw/zinc/25/12/37/502251237.db2.gz MMUUOENCRKCWKY-GOSISDBHSA-N 1 2 359.424 3.152 20 30 FGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc4ccccn4c2C#N)C3)cc1 ZINC000486790266 502262708 /nfs/dbraw/zinc/26/27/08/502262708.db2.gz XEUYAOJNRNTGRL-UHFFFAOYSA-N 1 2 354.417 3.263 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469031213 502271101 /nfs/dbraw/zinc/27/11/01/502271101.db2.gz SUPXQQRLAVFOFV-UHFFFAOYSA-N 1 2 361.405 3.018 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000480006522 502443950 /nfs/dbraw/zinc/44/39/50/502443950.db2.gz OPWYVMMATHYZJN-UHFFFAOYSA-N 1 2 350.353 3.451 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000466124262 502484008 /nfs/dbraw/zinc/48/40/08/502484008.db2.gz PWUOMDQWIWZQHE-NJDAHSKKSA-N 1 2 366.509 3.354 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CC2(CC#N)CC2)c1 ZINC000602842207 506323287 /nfs/dbraw/zinc/32/32/87/506323287.db2.gz QUMUFEGMELZKBJ-HNNXBMFYSA-N 1 2 353.260 3.117 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000602842207 506323290 /nfs/dbraw/zinc/32/32/90/506323290.db2.gz QUMUFEGMELZKBJ-HNNXBMFYSA-N 1 2 353.260 3.117 20 30 FGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369776 502752892 /nfs/dbraw/zinc/75/28/92/502752892.db2.gz QDUKDMQDFWKPRQ-HZPDHXFCSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369776 502752899 /nfs/dbraw/zinc/75/28/99/502752899.db2.gz QDUKDMQDFWKPRQ-HZPDHXFCSA-N 1 2 363.889 3.394 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000488818266 502818305 /nfs/dbraw/zinc/81/83/05/502818305.db2.gz GUCMOVIKCAPYQF-RBUKOAKNSA-N 1 2 373.884 3.129 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000488818266 502818308 /nfs/dbraw/zinc/81/83/08/502818308.db2.gz GUCMOVIKCAPYQF-RBUKOAKNSA-N 1 2 373.884 3.129 20 30 FGEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000509328027 502876024 /nfs/dbraw/zinc/87/60/24/502876024.db2.gz NYZPJOLBRRUTIK-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO C=C1CC[NH+](Cc2cc(I)c(OC)c(OC)c2)CC1 ZINC000513454607 502943980 /nfs/dbraw/zinc/94/39/80/502943980.db2.gz GRSGMFUVYINFOU-UHFFFAOYSA-N 1 2 373.234 3.460 20 30 FGEDLO Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667820 502995915 /nfs/dbraw/zinc/99/59/15/502995915.db2.gz WPIFILDKTVQDNH-VGSWGCGISA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667820 502995919 /nfs/dbraw/zinc/99/59/19/502995919.db2.gz WPIFILDKTVQDNH-VGSWGCGISA-N 1 2 361.445 3.028 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505884184 503004953 /nfs/dbraw/zinc/00/49/53/503004953.db2.gz GKTVEOYTFUWWBB-XLIONFOSSA-N 1 2 350.418 3.173 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505884184 503004956 /nfs/dbraw/zinc/00/49/56/503004956.db2.gz GKTVEOYTFUWWBB-XLIONFOSSA-N 1 2 350.418 3.173 20 30 FGEDLO N#CC1(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000501547541 503034424 /nfs/dbraw/zinc/03/44/24/503034424.db2.gz IOELAUKJLXRZGG-UHFFFAOYSA-N 1 2 352.251 3.010 20 30 FGEDLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000514075773 503080631 /nfs/dbraw/zinc/08/06/31/503080631.db2.gz LRGADSZKGSFFNH-RNODOKPDSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000514075773 503080637 /nfs/dbraw/zinc/08/06/37/503080637.db2.gz LRGADSZKGSFFNH-RNODOKPDSA-N 1 2 367.836 3.194 20 30 FGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000506272071 503083148 /nfs/dbraw/zinc/08/31/48/503083148.db2.gz KDXICIKZWCCIMQ-UHFFFAOYSA-N 1 2 358.392 3.185 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3nccc(OC)n3)CC2)cc1Cl ZINC000506585167 503138992 /nfs/dbraw/zinc/13/89/92/503138992.db2.gz VRHZTYSNJLXZMI-UHFFFAOYSA-N 1 2 374.872 3.026 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c(F)c1 ZINC000506651897 503150630 /nfs/dbraw/zinc/15/06/30/503150630.db2.gz CARYOPBDHDHLPY-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c(F)c1 ZINC000506651897 503150634 /nfs/dbraw/zinc/15/06/34/503150634.db2.gz CARYOPBDHDHLPY-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1 ZINC000506689956 503156658 /nfs/dbraw/zinc/15/66/58/503156658.db2.gz OZUAKCQYZPBYPL-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602924585 506355077 /nfs/dbraw/zinc/35/50/77/506355077.db2.gz GCUXVFPZVGDCHD-HXUWFJFHSA-N 1 2 365.481 3.019 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000602924585 506355086 /nfs/dbraw/zinc/35/50/86/506355086.db2.gz GCUXVFPZVGDCHD-HXUWFJFHSA-N 1 2 365.481 3.019 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000514670589 503162691 /nfs/dbraw/zinc/16/26/91/503162691.db2.gz RJPVDRBUBHCCET-MRXNPFEDSA-N 1 2 368.506 3.403 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000514722603 503177494 /nfs/dbraw/zinc/17/74/94/503177494.db2.gz VRIDSQOKZHOQLG-UYAOXDASSA-N 1 2 362.433 3.194 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)C1 ZINC000514784371 503192138 /nfs/dbraw/zinc/19/21/38/503192138.db2.gz LAGATIKRHCTGCW-UCLAIMLFSA-N 1 2 363.465 3.045 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)C1 ZINC000514784371 503192143 /nfs/dbraw/zinc/19/21/43/503192143.db2.gz LAGATIKRHCTGCW-UCLAIMLFSA-N 1 2 363.465 3.045 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccc(F)c3F)CC2)cc1 ZINC000498582938 503219625 /nfs/dbraw/zinc/21/96/25/503219625.db2.gz HUPTXSDYXFCSRN-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507306257 503274172 /nfs/dbraw/zinc/27/41/72/503274172.db2.gz QFXDBETXHDCPCT-MLYOOKFZSA-N 1 2 368.525 3.010 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599187979 506365640 /nfs/dbraw/zinc/36/56/40/506365640.db2.gz SXHCEIQEXFUALR-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493106068 503407101 /nfs/dbraw/zinc/40/71/01/503407101.db2.gz SHXHTZBZJZTUAM-KXBFYZLASA-N 1 2 360.417 3.297 20 30 FGEDLO COc1ccc2ncc(C#N)c(NCc3ccc[nH+]c3N3CCCC3)c2c1 ZINC000596355568 506369882 /nfs/dbraw/zinc/36/98/82/506369882.db2.gz FOWHDRGDJJVGGY-UHFFFAOYSA-N 1 2 359.433 3.144 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512170417 503475383 /nfs/dbraw/zinc/47/53/83/503475383.db2.gz CSZAZONHLRIXQE-INIZCTEOSA-N 1 2 371.481 3.327 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512197464 503483308 /nfs/dbraw/zinc/48/33/08/503483308.db2.gz QKIPAEIDNCXXJH-UHFFFAOYSA-N 1 2 354.450 3.129 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512197464 503483310 /nfs/dbraw/zinc/48/33/10/503483310.db2.gz QKIPAEIDNCXXJH-UHFFFAOYSA-N 1 2 354.450 3.129 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512217834 503489481 /nfs/dbraw/zinc/48/94/81/503489481.db2.gz HALXCWWUEHMATM-XLIONFOSSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512217834 503489482 /nfs/dbraw/zinc/48/94/82/503489482.db2.gz HALXCWWUEHMATM-XLIONFOSSA-N 1 2 360.498 3.331 20 30 FGEDLO N#C[C@H]1N(Cc2c[nH+]cn2Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000516389836 503506398 /nfs/dbraw/zinc/50/63/98/503506398.db2.gz DOXRIPMSNBCZNW-NHCUHLMSSA-N 1 2 350.466 3.359 20 30 FGEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000499959582 503521722 /nfs/dbraw/zinc/52/17/22/503521722.db2.gz XZGWROYKHXFHTM-BZNIZROVSA-N 1 2 361.804 3.001 20 30 FGEDLO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654853 503604492 /nfs/dbraw/zinc/60/44/92/503604492.db2.gz PGEBSAFTVPMKEG-XWFZLUIHSA-N 1 2 367.468 3.231 20 30 FGEDLO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654853 503604497 /nfs/dbraw/zinc/60/44/97/503604497.db2.gz PGEBSAFTVPMKEG-XWFZLUIHSA-N 1 2 367.468 3.231 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000512920439 503656892 /nfs/dbraw/zinc/65/68/92/503656892.db2.gz VQJRPLLFOLXLRS-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000517165462 503659307 /nfs/dbraw/zinc/65/93/07/503659307.db2.gz QADYGTYVHPARPS-WKILWMFISA-N 1 2 352.438 3.195 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000546212969 503672807 /nfs/dbraw/zinc/67/28/07/503672807.db2.gz KUTYBSKCQZSBHK-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000517218715 503679945 /nfs/dbraw/zinc/67/99/45/503679945.db2.gz IENLOPBZSMEZNM-WBVHZDCISA-N 1 2 360.845 3.059 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000533223126 503766940 /nfs/dbraw/zinc/76/69/40/503766940.db2.gz NMOFFNSLXUHNAU-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000527356214 503774708 /nfs/dbraw/zinc/77/47/08/503774708.db2.gz QBXSFIFPUCUHOD-UHFFFAOYSA-N 1 2 363.490 3.328 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000527482244 503805489 /nfs/dbraw/zinc/80/54/89/503805489.db2.gz FOFGNLXEGHXJFY-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000543542996 503807940 /nfs/dbraw/zinc/80/79/40/503807940.db2.gz RLAVRSTVLOCNMG-HNNXBMFYSA-N 1 2 354.454 3.150 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000543545289 503809038 /nfs/dbraw/zinc/80/90/38/503809038.db2.gz SFLAHSKJHSYZHN-AWEZNQCLSA-N 1 2 360.433 3.259 20 30 FGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000527512276 503819026 /nfs/dbraw/zinc/81/90/26/503819026.db2.gz SWNFDFFJARWJHH-LJQANCHMSA-N 1 2 353.491 3.480 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc([S@](C)=O)cc1 ZINC000537167050 503824328 /nfs/dbraw/zinc/82/43/28/503824328.db2.gz PCYOSEIDKCILPW-NRRJATNASA-N 1 2 366.446 3.196 20 30 FGEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1nnc2ccccn21 ZINC000543704715 503858777 /nfs/dbraw/zinc/85/87/77/503858777.db2.gz XQTDZBLXYTYHRM-SFHVURJKSA-N 1 2 373.420 3.138 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000533507856 503868297 /nfs/dbraw/zinc/86/82/97/503868297.db2.gz KDHDAYMQEOSYPA-MRXNPFEDSA-N 1 2 374.916 3.193 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540888881 503926245 /nfs/dbraw/zinc/92/62/45/503926245.db2.gz ONYLPTGWHMSHDD-UHFFFAOYSA-N 1 2 356.813 3.004 20 30 FGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546921549 503927482 /nfs/dbraw/zinc/92/74/82/503927482.db2.gz PAEGLGDHHUNISI-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000530392548 503948350 /nfs/dbraw/zinc/94/83/50/503948350.db2.gz UABCYFXLTNOUJJ-UHFFFAOYSA-N 1 2 368.481 3.270 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952022 503948309 /nfs/dbraw/zinc/94/83/09/503948309.db2.gz XQBCJVRKUXBEOW-CWDGTXCCSA-N 1 2 365.399 3.295 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952022 503948316 /nfs/dbraw/zinc/94/83/16/503948316.db2.gz XQBCJVRKUXBEOW-CWDGTXCCSA-N 1 2 365.399 3.295 20 30 FGEDLO N#CCC1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000540991817 503968379 /nfs/dbraw/zinc/96/83/79/503968379.db2.gz MBIQBEGINYTXHD-UHFFFAOYSA-N 1 2 355.486 3.297 20 30 FGEDLO Cc1ccc2[nH+]c(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)cn2c1 ZINC000541079966 503999473 /nfs/dbraw/zinc/99/94/73/503999473.db2.gz GAGRGJOJIJQEHL-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000537680250 504003043 /nfs/dbraw/zinc/00/30/43/504003043.db2.gz BZWSNZGYTCQHKS-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000537680250 504003047 /nfs/dbraw/zinc/00/30/47/504003047.db2.gz BZWSNZGYTCQHKS-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO CN(C)c1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c[nH+]1 ZINC000518923984 504094956 /nfs/dbraw/zinc/09/49/56/504094956.db2.gz GTKZRPUAPHRDGE-UHFFFAOYSA-N 1 2 373.416 3.137 20 30 FGEDLO N#CCc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000541338547 504095695 /nfs/dbraw/zinc/09/56/95/504095695.db2.gz IXLMVBCAYQFUOK-SFHVURJKSA-N 1 2 373.378 3.445 20 30 FGEDLO N#CCc1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000541338547 504095699 /nfs/dbraw/zinc/09/56/99/504095699.db2.gz IXLMVBCAYQFUOK-SFHVURJKSA-N 1 2 373.378 3.445 20 30 FGEDLO C=C(CC)CSCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537993296 504104608 /nfs/dbraw/zinc/10/46/08/504104608.db2.gz RHPWYUNZAJMCKN-UHFFFAOYSA-N 1 2 362.543 3.256 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccsc3)CC2)cc1 ZINC000528278790 504143836 /nfs/dbraw/zinc/14/38/36/504143836.db2.gz JVLQDVGQOHBUEC-RBUKOAKNSA-N 1 2 366.490 3.003 20 30 FGEDLO N#C[C@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CCN1Cc1ccccc1 ZINC000541536275 504169092 /nfs/dbraw/zinc/16/90/92/504169092.db2.gz IZTYUFQUTVUQDU-IBGZPJMESA-N 1 2 363.490 3.144 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541687885 504221983 /nfs/dbraw/zinc/22/19/83/504221983.db2.gz ZMDINCAOGSNNEH-AWEZNQCLSA-N 1 2 358.417 3.035 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC[C@H](C)C#N ZINC000541950864 504313137 /nfs/dbraw/zinc/31/31/37/504313137.db2.gz RJGTZVWATHRGON-QGZVFWFLSA-N 1 2 369.469 3.043 20 30 FGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCCn1cc[nH+]c1 ZINC000538707092 504334696 /nfs/dbraw/zinc/33/46/96/504334696.db2.gz OFQSYMICVLQRRW-UHFFFAOYSA-N 1 2 357.364 3.219 20 30 FGEDLO Cc1ccc(N[C@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)nc1C#N ZINC000519801567 504344431 /nfs/dbraw/zinc/34/44/31/504344431.db2.gz CONPHKBQKFPUDR-AWEZNQCLSA-N 1 2 365.387 3.252 20 30 FGEDLO CC1CC(C#N)(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C1 ZINC000531563643 504347551 /nfs/dbraw/zinc/34/75/51/504347551.db2.gz CVYBTQMRYFAOSQ-UHFFFAOYSA-N 1 2 362.437 3.201 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528760742 504367044 /nfs/dbraw/zinc/36/70/44/504367044.db2.gz AFAOZWUUDHOTJR-MRXNPFEDSA-N 1 2 373.460 3.189 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1C#N ZINC000535204626 504371730 /nfs/dbraw/zinc/37/17/30/504371730.db2.gz DLKOXRCQCQCNLC-OAQYLSRUSA-N 1 2 350.418 3.092 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1C#N ZINC000535204626 504371737 /nfs/dbraw/zinc/37/17/37/504371737.db2.gz DLKOXRCQCQCNLC-OAQYLSRUSA-N 1 2 350.418 3.092 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c1C#N ZINC000545217545 504401092 /nfs/dbraw/zinc/40/10/92/504401092.db2.gz SAAKEARQLDVZHP-CYBMUJFWSA-N 1 2 354.454 3.456 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(C#N)c3F)[C@H](C)C2)cc1 ZINC000539238375 504508598 /nfs/dbraw/zinc/50/85/98/504508598.db2.gz HDCBLWSNORDRRP-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc(C#N)c3F)[C@H](C)C2)cc1 ZINC000539238375 504508600 /nfs/dbraw/zinc/50/86/00/504508600.db2.gz HDCBLWSNORDRRP-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000542585904 504546890 /nfs/dbraw/zinc/54/68/90/504546890.db2.gz KYIVSUSQRKJLTB-BFUOFWGJSA-N 1 2 363.417 3.499 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000539389326 504552640 /nfs/dbraw/zinc/55/26/40/504552640.db2.gz DDDPDXVBCYXAAK-INIZCTEOSA-N 1 2 363.477 3.406 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548841310 504587267 /nfs/dbraw/zinc/58/72/67/504587267.db2.gz ZAWKIKQKWKZCOH-UHFFFAOYSA-N 1 2 373.460 3.078 20 30 FGEDLO C=CCCOCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000536035990 504614132 /nfs/dbraw/zinc/61/41/32/504614132.db2.gz RECHRQDFXSAAQN-KRWDZBQOSA-N 1 2 356.470 3.111 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000542881778 504646180 /nfs/dbraw/zinc/64/61/80/504646180.db2.gz LVTQGGCUQNTDJZ-UHFFFAOYSA-N 1 2 372.469 3.437 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000542945341 504668188 /nfs/dbraw/zinc/66/81/88/504668188.db2.gz PZZNGXKAKROKJB-JQHMZKTJSA-N 1 2 369.509 3.373 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000542945341 504668192 /nfs/dbraw/zinc/66/81/92/504668192.db2.gz PZZNGXKAKROKJB-JQHMZKTJSA-N 1 2 369.509 3.373 20 30 FGEDLO CCc1nnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c(C#N)c1CC ZINC000539769811 504681518 /nfs/dbraw/zinc/68/15/18/504681518.db2.gz NNPODURVAOUVJR-UHFFFAOYSA-N 1 2 358.449 3.221 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529521785 504709525 /nfs/dbraw/zinc/70/95/25/504709525.db2.gz WDCOEFREMWHTQQ-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000539864142 504722599 /nfs/dbraw/zinc/72/25/99/504722599.db2.gz SPQHOYCTURNMSP-CVEARBPZSA-N 1 2 373.497 3.065 20 30 FGEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000539864142 504722604 /nfs/dbraw/zinc/72/26/04/504722604.db2.gz SPQHOYCTURNMSP-CVEARBPZSA-N 1 2 373.497 3.065 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCSCC1 ZINC000532762321 504753588 /nfs/dbraw/zinc/75/35/88/504753588.db2.gz XGIBFZAHEIDLSU-MFKMUULPSA-N 1 2 358.294 3.112 20 30 FGEDLO N#Cc1c(NCc2[nH+]ccn2CC(F)(F)F)nc2cc(Cl)ccn12 ZINC000553042733 504812472 /nfs/dbraw/zinc/81/24/72/504812472.db2.gz AJPLMUKDEVDRBC-UHFFFAOYSA-N 1 2 354.723 3.230 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000559299754 504824464 /nfs/dbraw/zinc/82/44/64/504824464.db2.gz MSYJXMCYDBNFMB-YOEHRIQHSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000559299754 504824468 /nfs/dbraw/zinc/82/44/68/504824468.db2.gz MSYJXMCYDBNFMB-YOEHRIQHSA-N 1 2 355.438 3.354 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000549744257 504886538 /nfs/dbraw/zinc/88/65/38/504886538.db2.gz QLHAPUCDBFZQEH-UHFFFAOYSA-N 1 2 354.360 3.065 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000556635856 504926353 /nfs/dbraw/zinc/92/63/53/504926353.db2.gz FFASXMMYOZSHMM-MJGOQNOKSA-N 1 2 368.481 3.289 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000550167596 504984183 /nfs/dbraw/zinc/98/41/83/504984183.db2.gz WDPCYHXYDKLUDW-AZUAARDMSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000550167596 504984186 /nfs/dbraw/zinc/98/41/86/504984186.db2.gz WDPCYHXYDKLUDW-AZUAARDMSA-N 1 2 373.497 3.221 20 30 FGEDLO N#CCCn1cc(CNc2ccc(N3CCCC3)c[nH+]2)c(-c2ccccc2)n1 ZINC000565782957 504986448 /nfs/dbraw/zinc/98/64/48/504986448.db2.gz WTPUIRRTLMFUQQ-UHFFFAOYSA-N 1 2 372.476 3.493 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000565897772 505020263 /nfs/dbraw/zinc/02/02/63/505020263.db2.gz RFVZUKUMRQJWRD-IYARVYRRSA-N 1 2 363.465 3.172 20 30 FGEDLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000553908038 505038992 /nfs/dbraw/zinc/03/89/92/505038992.db2.gz VHBBNYRQLFIJIU-INIZCTEOSA-N 1 2 364.287 3.201 20 30 FGEDLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000553908038 505038996 /nfs/dbraw/zinc/03/89/96/505038996.db2.gz VHBBNYRQLFIJIU-INIZCTEOSA-N 1 2 364.287 3.201 20 30 FGEDLO CCOc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1O ZINC000550960779 505131899 /nfs/dbraw/zinc/13/18/99/505131899.db2.gz MHLXNAGQOZAFGV-LJQANCHMSA-N 1 2 351.450 3.173 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000551014590 505143194 /nfs/dbraw/zinc/14/31/94/505143194.db2.gz WELUMFZAGGPXBF-MRXNPFEDSA-N 1 2 355.492 3.350 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC000554863181 505283735 /nfs/dbraw/zinc/28/37/35/505283735.db2.gz YTPPEPXNAJJSKP-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000558061402 505298910 /nfs/dbraw/zinc/29/89/10/505298910.db2.gz USUCVRIVDXEBPE-KRWDZBQOSA-N 1 2 364.287 3.079 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000558061402 505298915 /nfs/dbraw/zinc/29/89/15/505298915.db2.gz USUCVRIVDXEBPE-KRWDZBQOSA-N 1 2 364.287 3.079 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000551952831 505352148 /nfs/dbraw/zinc/35/21/48/505352148.db2.gz NYEKVSLDWRFHDO-UHFFFAOYSA-N 1 2 354.360 3.201 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000558497233 505409152 /nfs/dbraw/zinc/40/91/52/505409152.db2.gz LNJWVSRMMXGTSK-UHFFFAOYSA-N 1 2 351.435 3.261 20 30 FGEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000555460995 505436710 /nfs/dbraw/zinc/43/67/10/505436710.db2.gz GWFPCVJMAMYHKS-UHFFFAOYSA-N 1 2 366.513 3.003 20 30 FGEDLO C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)n1cc[nH+]c1 ZINC000567476197 505475594 /nfs/dbraw/zinc/47/55/94/505475594.db2.gz DCSMEWFDBUXHDI-CYBMUJFWSA-N 1 2 350.344 3.297 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)o2)cc1 ZINC000562285440 505561940 /nfs/dbraw/zinc/56/19/40/505561940.db2.gz FXLPWCZNABOCFO-UHFFFAOYSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)o2)cc1 ZINC000562285440 505561943 /nfs/dbraw/zinc/56/19/43/505561943.db2.gz FXLPWCZNABOCFO-UHFFFAOYSA-N 1 2 358.401 3.361 20 30 FGEDLO Cc1cc(S[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000567861074 505568990 /nfs/dbraw/zinc/56/89/90/505568990.db2.gz JBTUUTVUDWAMIT-INIZCTEOSA-N 1 2 366.490 3.091 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000593107160 506396133 /nfs/dbraw/zinc/39/61/33/506396133.db2.gz UFUYMEAKMXZFDU-BHIYHBOVSA-N 1 2 358.482 3.324 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)CC2 ZINC000599402977 506443254 /nfs/dbraw/zinc/44/32/54/506443254.db2.gz JACDHQOIBOQMGR-AEFFLSMTSA-N 1 2 350.466 3.433 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)CC2 ZINC000599423456 506449330 /nfs/dbraw/zinc/44/93/30/506449330.db2.gz YDRRKOVDFCUGEI-WFASDCNBSA-N 1 2 363.248 3.442 20 30 FGEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccccc1C(C)(C)C#N ZINC000599443564 506457975 /nfs/dbraw/zinc/45/79/75/506457975.db2.gz BJAPCDGGLXFZBZ-HXUWFJFHSA-N 1 2 360.465 3.092 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612149604 506462073 /nfs/dbraw/zinc/46/20/73/506462073.db2.gz WOENPXCNMFEAPM-LNLFQRSKSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612149604 506462076 /nfs/dbraw/zinc/46/20/76/506462076.db2.gz WOENPXCNMFEAPM-LNLFQRSKSA-N 1 2 362.424 3.045 20 30 FGEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000593442656 506622935 /nfs/dbraw/zinc/62/29/35/506622935.db2.gz WXBVEAGPDYEPTK-OAHLLOKOSA-N 1 2 373.254 3.340 20 30 FGEDLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccnc(C#N)c1 ZINC000590018827 506707362 /nfs/dbraw/zinc/70/73/62/506707362.db2.gz PCBYVRFCNKYCIJ-UHFFFAOYSA-N 1 2 370.456 3.291 20 30 FGEDLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccnc(C#N)c1 ZINC000590018827 506707367 /nfs/dbraw/zinc/70/73/67/506707367.db2.gz PCBYVRFCNKYCIJ-UHFFFAOYSA-N 1 2 370.456 3.291 20 30 FGEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000596979746 506709269 /nfs/dbraw/zinc/70/92/69/506709269.db2.gz NDJQLEBYZJKIBS-UHFFFAOYSA-N 1 2 363.436 3.339 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000593774179 506770190 /nfs/dbraw/zinc/77/01/90/506770190.db2.gz WSTNZAHNGDIRDH-UHFFFAOYSA-N 1 2 362.477 3.427 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000593774179 506770198 /nfs/dbraw/zinc/77/01/98/506770198.db2.gz WSTNZAHNGDIRDH-UHFFFAOYSA-N 1 2 362.477 3.427 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609099098 506775422 /nfs/dbraw/zinc/77/54/22/506775422.db2.gz JLEVWYPUNWWVMA-OAQYLSRUSA-N 1 2 373.460 3.002 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(C(=O)OC)CC2)cc1OC ZINC000600105842 506778601 /nfs/dbraw/zinc/77/86/01/506778601.db2.gz CZEJCXHAHJQQQZ-UHFFFAOYSA-N 1 2 353.846 3.298 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609139040 506789555 /nfs/dbraw/zinc/78/95/55/506789555.db2.gz FJZPRZXMDUSIKA-SFHVURJKSA-N 1 2 369.494 3.035 20 30 FGEDLO Cc1[nH+]cc(CN2CCN(c3ccsc3C#N)CC2)n1-c1ccccc1 ZINC000597182438 506820709 /nfs/dbraw/zinc/82/07/09/506820709.db2.gz ACGGUOBZYSLMSV-UHFFFAOYSA-N 1 2 363.490 3.436 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000597184444 506822609 /nfs/dbraw/zinc/82/26/09/506822609.db2.gz WXWDHLCRMBBIDW-UHFFFAOYSA-N 1 2 367.453 3.267 20 30 FGEDLO C=CCCn1cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)nn1 ZINC000593974373 506860618 /nfs/dbraw/zinc/86/06/18/506860618.db2.gz AOKZLCGLTYJVAY-JQHSSLGASA-N 1 2 360.502 3.329 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)nn1 ZINC000593974373 506860624 /nfs/dbraw/zinc/86/06/24/506860624.db2.gz AOKZLCGLTYJVAY-JQHSSLGASA-N 1 2 360.502 3.329 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)nc1 ZINC000593992324 506870717 /nfs/dbraw/zinc/87/07/17/506870717.db2.gz DCHWEDSTTOEBQD-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)nc1 ZINC000593992324 506870720 /nfs/dbraw/zinc/87/07/20/506870720.db2.gz DCHWEDSTTOEBQD-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)CO1 ZINC000609681150 506973877 /nfs/dbraw/zinc/97/38/77/506973877.db2.gz USHVSJBZEPKSAP-UHFFFAOYSA-N 1 2 363.889 3.476 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)(C)CO1 ZINC000609681150 506973888 /nfs/dbraw/zinc/97/38/88/506973888.db2.gz USHVSJBZEPKSAP-UHFFFAOYSA-N 1 2 363.889 3.476 20 30 FGEDLO N#C[C@@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCc2ccccc2C1 ZINC000597521891 506989645 /nfs/dbraw/zinc/98/96/45/506989645.db2.gz DESCKELCQSZAQE-NFBKMPQASA-N 1 2 370.456 3.499 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)c1C ZINC000594258995 507047860 /nfs/dbraw/zinc/04/78/60/507047860.db2.gz YOUATBPXAFYOII-CQSZACIVSA-N 1 2 351.450 3.416 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000583924494 507054060 /nfs/dbraw/zinc/05/40/60/507054060.db2.gz XMWFTIUQWZXFAI-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594293200 507066436 /nfs/dbraw/zinc/06/64/36/507066436.db2.gz GPTSZBQHMGDLNO-ZWKOTPCHSA-N 1 2 362.477 3.037 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000594347485 507088028 /nfs/dbraw/zinc/08/80/28/507088028.db2.gz BSKSGNIWMOECSZ-LSDHHAIUSA-N 1 2 362.355 3.131 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c1C#N ZINC000584034600 507114187 /nfs/dbraw/zinc/11/41/87/507114187.db2.gz UEIINEZJMPFMEZ-UHFFFAOYSA-N 1 2 353.397 3.201 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000610542524 507282787 /nfs/dbraw/zinc/28/27/87/507282787.db2.gz GPNYYXKQPSLMMU-HNNXBMFYSA-N 1 2 369.494 3.153 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000610542524 507282791 /nfs/dbraw/zinc/28/27/91/507282791.db2.gz GPNYYXKQPSLMMU-HNNXBMFYSA-N 1 2 369.494 3.153 20 30 FGEDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584374615 507309921 /nfs/dbraw/zinc/30/99/21/507309921.db2.gz MPGKVJGOFZAGGY-UHFFFAOYSA-N 1 2 356.857 3.348 20 30 FGEDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584374615 507309926 /nfs/dbraw/zinc/30/99/26/507309926.db2.gz MPGKVJGOFZAGGY-UHFFFAOYSA-N 1 2 356.857 3.348 20 30 FGEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3sccc3C#N)CCCCCC2)no1 ZINC000610712256 507359165 /nfs/dbraw/zinc/35/91/65/507359165.db2.gz QDPRMHCXWCBTNL-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO Cc1cc(Br)cn2cc(CNC(=O)C3(C#N)CC4(CC4)C3)[nH+]c12 ZINC000601439539 507364061 /nfs/dbraw/zinc/36/40/61/507364061.db2.gz JQTUSTGEMPYOPB-UHFFFAOYSA-N 1 2 373.254 3.105 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820188 507378360 /nfs/dbraw/zinc/37/83/60/507378360.db2.gz GYFCZGGGWDDWGJ-KSSFIOAISA-N 1 2 368.506 3.377 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820188 507378365 /nfs/dbraw/zinc/37/83/65/507378365.db2.gz GYFCZGGGWDDWGJ-KSSFIOAISA-N 1 2 368.506 3.377 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)[NH+]2CCOCC2)cc1 ZINC000584501934 507379144 /nfs/dbraw/zinc/37/91/44/507379144.db2.gz BBQWXMXTZXMNAK-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO COc1ccc2ncc(C#N)c(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000591897126 507401925 /nfs/dbraw/zinc/40/19/25/507401925.db2.gz JLALJFUABIJVDU-UHFFFAOYSA-N 1 2 359.433 3.013 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601730837 507441979 /nfs/dbraw/zinc/44/19/79/507441979.db2.gz WLJSLPDMMUOTOQ-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000610967565 507457058 /nfs/dbraw/zinc/45/70/58/507457058.db2.gz HBDCTJWMAOKXMK-UHFFFAOYSA-N 1 2 372.469 3.477 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000592073209 507474092 /nfs/dbraw/zinc/47/40/92/507474092.db2.gz KBFWIORSCVPJCQ-UHFFFAOYSA-N 1 2 358.392 3.067 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2n1CCCCC2 ZINC000595432814 507494645 /nfs/dbraw/zinc/49/46/45/507494645.db2.gz JUSFVCALWJMILM-GFCCVEGCSA-N 1 2 361.396 3.328 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1Cl ZINC000595495857 507529625 /nfs/dbraw/zinc/52/96/25/507529625.db2.gz USEFTWULNXOZSU-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000611173954 507545556 /nfs/dbraw/zinc/54/55/56/507545556.db2.gz AHZNNBZIHOVAGJ-UHFFFAOYSA-N 1 2 355.873 3.137 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000598679469 507550133 /nfs/dbraw/zinc/55/01/33/507550133.db2.gz UVZWMWNXBLGJIV-UHFFFAOYSA-N 1 2 371.488 3.320 20 30 FGEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000592268666 507573918 /nfs/dbraw/zinc/57/39/18/507573918.db2.gz QYUDULOMPLZAMP-CQSZACIVSA-N 1 2 371.391 3.018 20 30 FGEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000592268666 507573924 /nfs/dbraw/zinc/57/39/24/507573924.db2.gz QYUDULOMPLZAMP-CQSZACIVSA-N 1 2 371.391 3.018 20 30 FGEDLO CC[N@H+](CCC#N)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611253889 507582317 /nfs/dbraw/zinc/58/23/17/507582317.db2.gz GGXBZLFBWGVIGZ-UHFFFAOYSA-N 1 2 356.495 3.382 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611253889 507582321 /nfs/dbraw/zinc/58/23/21/507582321.db2.gz GGXBZLFBWGVIGZ-UHFFFAOYSA-N 1 2 356.495 3.382 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000611260226 507587390 /nfs/dbraw/zinc/58/73/90/507587390.db2.gz MEJKGEOARDKOSU-UHFFFAOYSA-N 1 2 369.494 3.470 20 30 FGEDLO CC(C)C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC000602092885 507588249 /nfs/dbraw/zinc/58/82/49/507588249.db2.gz KHSSEVXVQBNKLG-FQEVSTJZSA-N 1 2 366.465 3.412 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000595610168 507588407 /nfs/dbraw/zinc/58/84/07/507588407.db2.gz SKZKVQANPZEDMP-RDJZCZTQSA-N 1 2 366.421 3.176 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000595610168 507588414 /nfs/dbraw/zinc/58/84/14/507588414.db2.gz SKZKVQANPZEDMP-RDJZCZTQSA-N 1 2 366.421 3.176 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615331 507592512 /nfs/dbraw/zinc/59/25/12/507592512.db2.gz MHMBIVLKIYFXPA-QGZVFWFLSA-N 1 2 351.454 3.053 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615331 507592520 /nfs/dbraw/zinc/59/25/20/507592520.db2.gz MHMBIVLKIYFXPA-QGZVFWFLSA-N 1 2 351.454 3.053 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC000598836131 507629049 /nfs/dbraw/zinc/62/90/49/507629049.db2.gz AYGQXMFHYCVIFX-FQEVSTJZSA-N 1 2 373.403 3.117 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000611349972 507633547 /nfs/dbraw/zinc/63/35/47/507633547.db2.gz SNDZRPFGBWYIKM-ORAYPTAESA-N 1 2 356.495 3.138 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595786224 507683084 /nfs/dbraw/zinc/68/30/84/507683084.db2.gz GVZKPSHGRXLBKW-KDOFPFPSSA-N 1 2 359.470 3.376 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587066679 507705190 /nfs/dbraw/zinc/70/51/90/507705190.db2.gz XQDFDYFBQBPHQX-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccon2)CC1 ZINC000595829519 507705280 /nfs/dbraw/zinc/70/52/80/507705280.db2.gz VSCDPCQBLYNONY-LBPRGKRZSA-N 1 2 370.478 3.303 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838911 507708822 /nfs/dbraw/zinc/70/88/22/507708822.db2.gz DSVICKXTZXVEPG-SWLSCSKDSA-N 1 2 373.678 3.078 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838911 507708827 /nfs/dbraw/zinc/70/88/27/507708827.db2.gz DSVICKXTZXVEPG-SWLSCSKDSA-N 1 2 373.678 3.078 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602465993 507717809 /nfs/dbraw/zinc/71/78/09/507717809.db2.gz SHUJQECDDIDDJK-UHFFFAOYSA-N 1 2 350.264 3.254 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602465993 507717814 /nfs/dbraw/zinc/71/78/14/507717814.db2.gz SHUJQECDDIDDJK-UHFFFAOYSA-N 1 2 350.264 3.254 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552802 507735605 /nfs/dbraw/zinc/73/56/05/507735605.db2.gz LNRCBDSRSVXINC-HXUWFJFHSA-N 1 2 364.424 3.088 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379833 608399685 /nfs/dbraw/zinc/39/96/85/608399685.db2.gz DDPKMHBRYPFRKD-ZWKOTPCHSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379833 608399686 /nfs/dbraw/zinc/39/96/86/608399686.db2.gz DDPKMHBRYPFRKD-ZWKOTPCHSA-N 1 2 362.412 3.278 20 30 FGEDLO COc1cccc(-c2nc(CO[NH+]=C(N)Cc3cccnc3)cs2)c1 ZINC000092916028 700443918 /nfs/dbraw/zinc/44/39/18/700443918.db2.gz AAWGSDDXTYANMZ-UHFFFAOYSA-N 1 2 354.435 3.245 20 30 FGEDLO CC(=O)c1cccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000106067388 700506852 /nfs/dbraw/zinc/50/68/52/700506852.db2.gz IUGMSFLUQVSCDA-UHFFFAOYSA-N 1 2 359.813 3.013 20 30 FGEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000111176808 700546625 /nfs/dbraw/zinc/54/66/25/700546625.db2.gz YXYUFPWELXHUEY-UHFFFAOYSA-N 1 2 351.328 3.175 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000113249049 700569889 /nfs/dbraw/zinc/56/98/89/700569889.db2.gz GZYDYDMHEPGYED-GFCCVEGCSA-N 1 2 361.829 3.321 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174694613 705514720 /nfs/dbraw/zinc/51/47/20/705514720.db2.gz BMFZLOPFKBSKFL-VQTJNVASSA-N 1 2 355.869 3.256 20 30 FGEDLO C[C@@H](O)C1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329385577 713829349 /nfs/dbraw/zinc/82/93/49/713829349.db2.gz SBQDXHYBAAZLOT-UONOGXRCSA-N 1 2 366.531 3.013 20 30 FGEDLO C[C@@H](O)C1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329385577 713829352 /nfs/dbraw/zinc/82/93/52/713829352.db2.gz SBQDXHYBAAZLOT-UONOGXRCSA-N 1 2 366.531 3.013 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@]34CCOc3ccccc34)sc2C1 ZINC000329592035 713830959 /nfs/dbraw/zinc/83/09/59/713830959.db2.gz BUPJSZNXMJQDQC-BFUOFWGJSA-N 1 2 355.463 3.459 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@]34CCOc3ccccc34)sc2C1 ZINC000329592035 713830963 /nfs/dbraw/zinc/83/09/63/713830963.db2.gz BUPJSZNXMJQDQC-BFUOFWGJSA-N 1 2 355.463 3.459 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000373815144 713873736 /nfs/dbraw/zinc/87/37/36/713873736.db2.gz OJNWGGXAYHFEHE-WBVHZDCISA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000373815144 713873741 /nfs/dbraw/zinc/87/37/41/713873741.db2.gz OJNWGGXAYHFEHE-WBVHZDCISA-N 1 2 365.271 3.091 20 30 FGEDLO C=C(Br)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000381622318 713979280 /nfs/dbraw/zinc/97/92/80/713979280.db2.gz DGGLFDWYIGBKQT-NSHDSACASA-N 1 2 353.029 3.120 20 30 FGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000525639796 714364698 /nfs/dbraw/zinc/36/46/98/714364698.db2.gz ZKGBLBWCMJRQGN-AWEZNQCLSA-N 1 2 356.495 3.195 20 30 FGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000525639796 714364700 /nfs/dbraw/zinc/36/47/00/714364700.db2.gz ZKGBLBWCMJRQGN-AWEZNQCLSA-N 1 2 356.495 3.195 20 30 FGEDLO N#CCC1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000526953337 714415217 /nfs/dbraw/zinc/41/52/17/714415217.db2.gz FJMLFRVDCPRLQJ-UHFFFAOYSA-N 1 2 360.889 3.033 20 30 FGEDLO N#CCC1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000526953337 714415220 /nfs/dbraw/zinc/41/52/20/714415220.db2.gz FJMLFRVDCPRLQJ-UHFFFAOYSA-N 1 2 360.889 3.033 20 30 FGEDLO C#CC[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000792792752 723368522 /nfs/dbraw/zinc/36/85/22/723368522.db2.gz ODISVYJJJMXOOW-HNNXBMFYSA-N 1 2 374.333 3.438 20 30 FGEDLO C#CC[N@H+](CCCCc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000792792752 723368525 /nfs/dbraw/zinc/36/85/25/723368525.db2.gz ODISVYJJJMXOOW-HNNXBMFYSA-N 1 2 374.333 3.438 20 30 FGEDLO C=C(C)[C@@H](CO)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000649389794 718510613 /nfs/dbraw/zinc/51/06/13/718510613.db2.gz GJHXTDULBKUJMP-IUODEOHRSA-N 1 2 350.463 3.058 20 30 FGEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1Br)C(C)(C)C ZINC000661756593 720315382 /nfs/dbraw/zinc/31/53/82/720315382.db2.gz RUIMXIOYGASEFB-UHFFFAOYSA-N 1 2 350.264 3.211 20 30 FGEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1Br)C(C)(C)C ZINC000661756593 720315385 /nfs/dbraw/zinc/31/53/85/720315385.db2.gz RUIMXIOYGASEFB-UHFFFAOYSA-N 1 2 350.264 3.211 20 30 FGEDLO C=CCOCc1nn(C)c2c1C[N@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786701 721448029 /nfs/dbraw/zinc/44/80/29/721448029.db2.gz NIAHMXNVTVLDJK-UHFFFAOYSA-N 1 2 360.889 3.465 20 30 FGEDLO C=CCOCc1nn(C)c2c1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786701 721448030 /nfs/dbraw/zinc/44/80/30/721448030.db2.gz NIAHMXNVTVLDJK-UHFFFAOYSA-N 1 2 360.889 3.465 20 30 FGEDLO COc1ccccc1NC(=S)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783790662 724790926 /nfs/dbraw/zinc/79/09/26/724790926.db2.gz DMEPBVCVWLWILN-UHFFFAOYSA-N 1 2 357.464 3.263 20 30 FGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000784030852 724814265 /nfs/dbraw/zinc/81/42/65/724814265.db2.gz XNLUCZOOGKZIAT-CYBMUJFWSA-N 1 2 369.416 3.461 20 30 FGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000784030852 724814269 /nfs/dbraw/zinc/81/42/69/724814269.db2.gz XNLUCZOOGKZIAT-CYBMUJFWSA-N 1 2 369.416 3.461 20 30 FGEDLO C#Cc1cccc(N(C)C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000728536860 722452325 /nfs/dbraw/zinc/45/23/25/722452325.db2.gz IEFUSRBMHNKDLG-HXUWFJFHSA-N 1 2 350.487 3.421 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000735304272 722514722 /nfs/dbraw/zinc/51/47/22/722514722.db2.gz DZBOFNCOTGFSQE-UHFFFAOYSA-N 1 2 357.841 3.270 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741446828 722546064 /nfs/dbraw/zinc/54/60/64/722546064.db2.gz BSLICHUYVNBDQA-LBPRGKRZSA-N 1 2 356.451 3.345 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741446828 722546065 /nfs/dbraw/zinc/54/60/65/722546065.db2.gz BSLICHUYVNBDQA-LBPRGKRZSA-N 1 2 356.451 3.345 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745704606 722589742 /nfs/dbraw/zinc/58/97/42/722589742.db2.gz KSRVGSJPANQZER-RBUKOAKNSA-N 1 2 353.551 3.489 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(-c2ccc(OC)cc2)cs1 ZINC000746884463 722621971 /nfs/dbraw/zinc/62/19/71/722621971.db2.gz YCBUCORTKADHDV-IBGZPJMESA-N 1 2 354.475 3.138 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(-c2ccc(OC)cc2)cs1 ZINC000746884463 722621974 /nfs/dbraw/zinc/62/19/74/722621974.db2.gz YCBUCORTKADHDV-IBGZPJMESA-N 1 2 354.475 3.138 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899856 722947650 /nfs/dbraw/zinc/94/76/50/722947650.db2.gz LRTABXYGZJTEJT-WMZOPIPTSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899856 722947651 /nfs/dbraw/zinc/94/76/51/722947651.db2.gz LRTABXYGZJTEJT-WMZOPIPTSA-N 1 2 357.816 3.031 20 30 FGEDLO COc1nccnc1N=NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000763411835 723341493 /nfs/dbraw/zinc/34/14/93/723341493.db2.gz KQYJQWFOBJFBJG-UHFFFAOYSA-N 1 2 363.824 3.342 20 30 FGEDLO CCOc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000794699831 723541735 /nfs/dbraw/zinc/54/17/35/723541735.db2.gz CQPJULXFGOUVAU-VURMDHGXSA-N 1 2 361.423 3.408 20 30 FGEDLO C#CC[N@@H+](Cc1cnn(C)c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766067339 723553811 /nfs/dbraw/zinc/55/38/11/723553811.db2.gz JCPYKLJWCQRKDZ-KRWDZBQOSA-N 1 2 374.282 3.450 20 30 FGEDLO C#CC[N@H+](Cc1cnn(C)c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766067339 723553812 /nfs/dbraw/zinc/55/38/12/723553812.db2.gz JCPYKLJWCQRKDZ-KRWDZBQOSA-N 1 2 374.282 3.450 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766133905 723557819 /nfs/dbraw/zinc/55/78/19/723557819.db2.gz CPSJYXMYLSXTML-HNNXBMFYSA-N 1 2 362.779 3.378 20 30 FGEDLO N#CCCNC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000767906139 723639115 /nfs/dbraw/zinc/63/91/15/723639115.db2.gz KKPRLPAQULPNAS-UHFFFAOYSA-N 1 2 364.287 3.224 20 30 FGEDLO N#CCCNC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000767906139 723639117 /nfs/dbraw/zinc/63/91/17/723639117.db2.gz KKPRLPAQULPNAS-UHFFFAOYSA-N 1 2 364.287 3.224 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000769813623 723696632 /nfs/dbraw/zinc/69/66/32/723696632.db2.gz LYMLQTAPPBKMEF-MRXNPFEDSA-N 1 2 361.511 3.398 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000769813623 723696634 /nfs/dbraw/zinc/69/66/34/723696634.db2.gz LYMLQTAPPBKMEF-MRXNPFEDSA-N 1 2 361.511 3.398 20 30 FGEDLO O=[N+]([O-])c1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1F ZINC000769820956 723696905 /nfs/dbraw/zinc/69/69/05/723696905.db2.gz AEIXJFXQRVLZEQ-UHFFFAOYSA-N 1 2 350.375 3.078 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000769920380 723700953 /nfs/dbraw/zinc/70/09/53/723700953.db2.gz IFYFNYZSFJCBDG-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000772110384 723751119 /nfs/dbraw/zinc/75/11/19/723751119.db2.gz RPPDICDUJKPOQB-UHFFFAOYSA-N 1 2 354.233 3.065 20 30 FGEDLO C#C[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000799048335 723984615 /nfs/dbraw/zinc/98/46/15/723984615.db2.gz GEOABEANUBNSAM-SJORKVTESA-N 1 2 363.299 3.360 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)ccc1Br ZINC000801553326 724312861 /nfs/dbraw/zinc/31/28/61/724312861.db2.gz SOENLYQRFPAXHG-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@H](c1nnc(SCCO[C@@H](C)C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000801655086 724322072 /nfs/dbraw/zinc/32/20/72/724322072.db2.gz QXRIRGJGNPXACP-QWHCGFSZSA-N 1 2 363.462 3.050 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801987020 724352394 /nfs/dbraw/zinc/35/23/94/724352394.db2.gz NDGHWJXGKABPAN-FBJMNJBLSA-N 1 2 350.409 3.181 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801987020 724352398 /nfs/dbraw/zinc/35/23/98/724352398.db2.gz NDGHWJXGKABPAN-FBJMNJBLSA-N 1 2 350.409 3.181 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156995 725154822 /nfs/dbraw/zinc/15/48/22/725154822.db2.gz NLGNVYHYORPDBW-ZWKOTPCHSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156995 725154824 /nfs/dbraw/zinc/15/48/24/725154824.db2.gz NLGNVYHYORPDBW-ZWKOTPCHSA-N 1 2 357.816 3.031 20 30 FGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000818230417 727302510 /nfs/dbraw/zinc/30/25/10/727302510.db2.gz HZYIZJDWJDEZCL-ZDUSSCGKSA-N 1 2 358.467 3.130 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccccc1Cl ZINC000820624408 729011478 /nfs/dbraw/zinc/01/14/78/729011478.db2.gz OMGMLRLFRFECGT-UHFFFAOYSA-N 1 2 357.841 3.369 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000824871145 729363043 /nfs/dbraw/zinc/36/30/43/729363043.db2.gz BXRDSYYXIXPFDK-UHFFFAOYSA-N 1 2 361.873 3.219 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccc3F)CC2)s1 ZINC000828325655 729442244 /nfs/dbraw/zinc/44/22/44/729442244.db2.gz XBKFDJWUYRNRPB-UHFFFAOYSA-N 1 2 357.454 3.279 20 30 FGEDLO COC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745065 729729570 /nfs/dbraw/zinc/72/95/70/729729570.db2.gz IJMCGMZGALMYEY-CABCVRRESA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745065 729729575 /nfs/dbraw/zinc/72/95/75/729729575.db2.gz IJMCGMZGALMYEY-CABCVRRESA-N 1 2 357.479 3.221 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)C1 ZINC000842628171 730521721 /nfs/dbraw/zinc/52/17/21/730521721.db2.gz RWXNPEXNKUKICO-HNNXBMFYSA-N 1 2 356.495 3.319 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)C1 ZINC000842628171 730521726 /nfs/dbraw/zinc/52/17/26/730521726.db2.gz RWXNPEXNKUKICO-HNNXBMFYSA-N 1 2 356.495 3.319 20 30 FGEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845442562 730850509 /nfs/dbraw/zinc/85/05/09/730850509.db2.gz MREKNXAADJMQSN-JQWIXIFHSA-N 1 2 365.220 3.489 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000852752116 731630011 /nfs/dbraw/zinc/63/00/11/731630011.db2.gz TUZOSPHNEUPDRY-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000852752116 731630013 /nfs/dbraw/zinc/63/00/13/731630013.db2.gz TUZOSPHNEUPDRY-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO Nc1nc(Cl)c(C=[NH+]Nc2cccc(Cl)c2)c(N2CCCC2)n1 ZINC000863951993 733019363 /nfs/dbraw/zinc/01/93/63/733019363.db2.gz YJPKWXHXOJAPPA-UHFFFAOYSA-N 1 2 351.241 3.412 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000876555936 736113468 /nfs/dbraw/zinc/11/34/68/736113468.db2.gz GDJBFGZRZJONIC-UHFFFAOYSA-N 1 2 354.841 3.001 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052970 737110099 /nfs/dbraw/zinc/11/00/99/737110099.db2.gz ZOTFRLWLKQNEOU-IRXDYDNUSA-N 1 2 354.372 3.080 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCO[C@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052970 737110102 /nfs/dbraw/zinc/11/01/02/737110102.db2.gz ZOTFRLWLKQNEOU-IRXDYDNUSA-N 1 2 354.372 3.080 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897330355 742669088 /nfs/dbraw/zinc/66/90/88/742669088.db2.gz RSNBPXQXXHQYBO-CQSZACIVSA-N 1 2 355.747 3.449 20 30 FGEDLO COc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(Br)cc1O ZINC000903038540 743799323 /nfs/dbraw/zinc/79/93/23/743799323.db2.gz YDTCWXXSRVBDHL-JTQLQIEISA-N 1 2 362.227 3.281 20 30 FGEDLO CC(C)(C#N)CS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000915357207 757925210 /nfs/dbraw/zinc/92/52/10/757925210.db2.gz UPNXAZJQKCRRIU-UHFFFAOYSA-N 1 2 359.451 3.145 20 30 FGEDLO COc1ccc(CNC(=S)N[NH+]=C(C)c2ccc(N(C)C)cc2)cc1 ZINC000916283189 758063936 /nfs/dbraw/zinc/06/39/36/758063936.db2.gz OGUDNIPHFBZBIT-UHFFFAOYSA-N 1 2 356.495 3.150 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922904512 759025962 /nfs/dbraw/zinc/02/59/62/759025962.db2.gz JBLYIAXPPXRUCO-INIZCTEOSA-N 1 2 358.511 3.191 20 30 FGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126921 761322639 /nfs/dbraw/zinc/32/26/39/761322639.db2.gz UQHCBFIXFCZFHF-MAUKXSAKSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126921 761322648 /nfs/dbraw/zinc/32/26/48/761322648.db2.gz UQHCBFIXFCZFHF-MAUKXSAKSA-N 1 2 355.463 3.102 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933778362 761471998 /nfs/dbraw/zinc/47/19/98/761471998.db2.gz LJNBAZIVFDXSIZ-UHFFFAOYSA-N 1 2 371.384 3.236 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933778362 761472002 /nfs/dbraw/zinc/47/20/02/761472002.db2.gz LJNBAZIVFDXSIZ-UHFFFAOYSA-N 1 2 371.384 3.236 20 30 FGEDLO C[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cc(C#N)cs1 ZINC000933775994 761472120 /nfs/dbraw/zinc/47/21/20/761472120.db2.gz WUPNAVGVEOOIQK-UHFFFAOYSA-N 1 2 370.503 3.020 20 30 FGEDLO C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cc(C#N)cs1 ZINC000933775994 761472123 /nfs/dbraw/zinc/47/21/23/761472123.db2.gz WUPNAVGVEOOIQK-UHFFFAOYSA-N 1 2 370.503 3.020 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)cc2F)C1 ZINC000970446733 762875149 /nfs/dbraw/zinc/87/51/49/762875149.db2.gz IEBLAIBQMARTRD-XZOAIXRZSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001008557533 765674889 /nfs/dbraw/zinc/67/48/89/765674889.db2.gz DSCZUHOKFRVJNG-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001008557533 765674893 /nfs/dbraw/zinc/67/48/93/765674893.db2.gz DSCZUHOKFRVJNG-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001015726296 765800040 /nfs/dbraw/zinc/80/00/40/765800040.db2.gz KVTOWMHRRZFGEA-VBQJREDUSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001015726296 765800047 /nfs/dbraw/zinc/80/00/47/765800047.db2.gz KVTOWMHRRZFGEA-VBQJREDUSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001015950451 765812077 /nfs/dbraw/zinc/81/20/77/765812077.db2.gz CHFKQVOUNILAKZ-FRRDWIJNSA-N 1 2 358.791 3.150 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001015950451 765812083 /nfs/dbraw/zinc/81/20/83/765812083.db2.gz CHFKQVOUNILAKZ-FRRDWIJNSA-N 1 2 358.791 3.150 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015829011 765812320 /nfs/dbraw/zinc/81/23/20/765812320.db2.gz NNTAQBPZCCNJJO-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015829011 765812323 /nfs/dbraw/zinc/81/23/23/765812323.db2.gz NNTAQBPZCCNJJO-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC001032047085 766194797 /nfs/dbraw/zinc/19/47/97/766194797.db2.gz PNBPYHXZOCESNL-WMZOPIPTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189878 766209384 /nfs/dbraw/zinc/20/93/84/766209384.db2.gz DDTJWVOLDAMVMJ-QLFBSQMISA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189878 766209389 /nfs/dbraw/zinc/20/93/89/766209389.db2.gz DDTJWVOLDAMVMJ-QLFBSQMISA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033985340 766231840 /nfs/dbraw/zinc/23/18/40/766231840.db2.gz NNEFZHGQJQGQHG-YTQUADARSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033985340 766231845 /nfs/dbraw/zinc/23/18/45/766231845.db2.gz NNEFZHGQJQGQHG-YTQUADARSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001043924503 766484869 /nfs/dbraw/zinc/48/48/69/766484869.db2.gz ZPBBJPSYOBXMLK-MSOLQXFVSA-N 1 2 356.491 3.135 20 30 FGEDLO C=CCn1c2ncn(Cc3[nH+]cc(C)c(OC)c3C)c(=O)c2sc1=S ZINC000079312000 206794504 /nfs/dbraw/zinc/79/45/04/206794504.db2.gz JQDHEECEEOZQAW-UHFFFAOYSA-N 1 2 374.491 3.244 20 30 FGEDLO C#CCNC(=O)CC[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000779043923 724384261 /nfs/dbraw/zinc/38/42/61/724384261.db2.gz ZRYRRSUURRUDJI-LJQANCHMSA-N 1 2 362.807 3.437 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000567995327 505592876 /nfs/dbraw/zinc/59/28/76/505592876.db2.gz HYIXOOCZGNTJHJ-OAHLLOKOSA-N 1 2 366.284 3.237 20 30 FGEDLO C=CCCc1ccccc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000574008063 505671592 /nfs/dbraw/zinc/67/15/92/505671592.db2.gz NPCBHVUXZODSPW-LJQANCHMSA-N 1 2 368.481 3.240 20 30 FGEDLO C=CCCc1ccccc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000574008063 505671598 /nfs/dbraw/zinc/67/15/98/505671598.db2.gz NPCBHVUXZODSPW-LJQANCHMSA-N 1 2 368.481 3.240 20 30 FGEDLO CCN(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C1CCCCC1 ZINC000048041475 493775815 /nfs/dbraw/zinc/77/58/15/493775815.db2.gz KHGBFCCTPQXWQN-UHFFFAOYSA-N 1 2 372.488 3.001 20 30 FGEDLO CCC(CC)c1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)on1 ZINC000574033671 505678089 /nfs/dbraw/zinc/67/80/89/505678089.db2.gz RGRCZNRKYRUFPT-UHFFFAOYSA-N 1 2 361.467 3.013 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C#N)CC1 ZINC000057906041 493814524 /nfs/dbraw/zinc/81/45/24/493814524.db2.gz XLBBCFLKCNQTCM-ZDUSSCGKSA-N 1 2 356.495 3.451 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119693 493827063 /nfs/dbraw/zinc/82/70/63/493827063.db2.gz HSQKMLHNICPOAX-NHCUHLMSSA-N 1 2 353.462 3.228 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119693 493827068 /nfs/dbraw/zinc/82/70/68/493827068.db2.gz HSQKMLHNICPOAX-NHCUHLMSSA-N 1 2 353.462 3.228 20 30 FGEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000081257202 493853011 /nfs/dbraw/zinc/85/30/11/493853011.db2.gz TZUQRLUSNIXYIE-PKOBYXMFSA-N 1 2 369.852 3.265 20 30 FGEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000081257202 493853015 /nfs/dbraw/zinc/85/30/15/493853015.db2.gz TZUQRLUSNIXYIE-PKOBYXMFSA-N 1 2 369.852 3.265 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000081317877 493868511 /nfs/dbraw/zinc/86/85/11/493868511.db2.gz KXAORNFIRQRRKU-HXUWFJFHSA-N 1 2 358.445 3.325 20 30 FGEDLO C[N@H+](Cc1ccc(Br)o1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000030217307 493881267 /nfs/dbraw/zinc/88/12/67/493881267.db2.gz GJFHWYQGPUZAIM-HNNXBMFYSA-N 1 2 374.238 3.151 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000030217307 493881269 /nfs/dbraw/zinc/88/12/69/493881269.db2.gz GJFHWYQGPUZAIM-HNNXBMFYSA-N 1 2 374.238 3.151 20 30 FGEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076403198 493886412 /nfs/dbraw/zinc/88/64/12/493886412.db2.gz NIWZHKBLPWZCKP-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076403198 493886415 /nfs/dbraw/zinc/88/64/15/493886415.db2.gz NIWZHKBLPWZCKP-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000076501367 493907197 /nfs/dbraw/zinc/90/71/97/493907197.db2.gz FTXCJGKHKRZMNC-UHFFFAOYSA-N 1 2 364.449 3.111 20 30 FGEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)nc(-c2ccncc2)[nH+]1 ZINC000060355953 493926122 /nfs/dbraw/zinc/92/61/22/493926122.db2.gz KRFLWRFWGGUGEB-UHFFFAOYSA-N 1 2 374.423 3.184 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060467927 493937151 /nfs/dbraw/zinc/93/71/51/493937151.db2.gz JDONVTCMXBRSHP-UHFFFAOYSA-N 1 2 370.416 3.025 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060467927 493937157 /nfs/dbraw/zinc/93/71/57/493937157.db2.gz JDONVTCMXBRSHP-UHFFFAOYSA-N 1 2 370.416 3.025 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@H](C)C#N ZINC000060569272 493946181 /nfs/dbraw/zinc/94/61/81/493946181.db2.gz MBJFSRRBPLXEGA-CHWSQXEVSA-N 1 2 352.276 3.108 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@H](C)C#N ZINC000060569272 493946183 /nfs/dbraw/zinc/94/61/83/493946183.db2.gz MBJFSRRBPLXEGA-CHWSQXEVSA-N 1 2 352.276 3.108 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060616611 493948749 /nfs/dbraw/zinc/94/87/49/493948749.db2.gz NHZHMDAGLLRNLN-UHFFFAOYSA-N 1 2 374.444 3.092 20 30 FGEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000031726520 493957420 /nfs/dbraw/zinc/95/74/20/493957420.db2.gz ZOBSQYDFXCYIEL-UHFFFAOYSA-N 1 2 366.440 3.033 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571262427 505693314 /nfs/dbraw/zinc/69/33/14/505693314.db2.gz AGBOSNAGHIXICG-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571262427 505693318 /nfs/dbraw/zinc/69/33/18/505693318.db2.gz AGBOSNAGHIXICG-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000007717664 494037304 /nfs/dbraw/zinc/03/73/04/494037304.db2.gz HSLGISQFSRHUBC-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000007717664 494037307 /nfs/dbraw/zinc/03/73/07/494037307.db2.gz HSLGISQFSRHUBC-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000063297845 494041270 /nfs/dbraw/zinc/04/12/70/494041270.db2.gz USKLSECHXDJLDZ-UHFFFAOYSA-N 1 2 370.434 3.161 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000063297845 494041273 /nfs/dbraw/zinc/04/12/73/494041273.db2.gz USKLSECHXDJLDZ-UHFFFAOYSA-N 1 2 370.434 3.161 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297776 494041372 /nfs/dbraw/zinc/04/13/72/494041372.db2.gz WEDFWRYZPVFSLG-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297776 494041375 /nfs/dbraw/zinc/04/13/75/494041375.db2.gz WEDFWRYZPVFSLG-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084131883 494049831 /nfs/dbraw/zinc/04/98/31/494049831.db2.gz IVTKSOFFDBBYER-LPHOPBHVSA-N 1 2 367.497 3.201 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084131883 494049835 /nfs/dbraw/zinc/04/98/35/494049835.db2.gz IVTKSOFFDBBYER-LPHOPBHVSA-N 1 2 367.497 3.201 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660876 494051200 /nfs/dbraw/zinc/05/12/00/494051200.db2.gz ZEEACNKDGWFOMY-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)sc2c1CCCCC2 ZINC000070950503 494073589 /nfs/dbraw/zinc/07/35/89/494073589.db2.gz MBRGLJKUIHHNFH-AWEZNQCLSA-N 1 2 361.511 3.064 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)sc2c1CCCCC2 ZINC000070950503 494073592 /nfs/dbraw/zinc/07/35/92/494073592.db2.gz MBRGLJKUIHHNFH-AWEZNQCLSA-N 1 2 361.511 3.064 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000063754244 494084279 /nfs/dbraw/zinc/08/42/79/494084279.db2.gz NQQRWJIWAXGOAA-UHFFFAOYSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000063754244 494084282 /nfs/dbraw/zinc/08/42/82/494084282.db2.gz NQQRWJIWAXGOAA-UHFFFAOYSA-N 1 2 357.498 3.044 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000077445697 494084738 /nfs/dbraw/zinc/08/47/38/494084738.db2.gz ODMIFAJHZNBKCC-UHFFFAOYSA-N 1 2 361.405 3.311 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000008375999 494087293 /nfs/dbraw/zinc/08/72/93/494087293.db2.gz IXSQRBUSNGPDDN-UHFFFAOYSA-N 1 2 366.899 3.363 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1nn2c(nc(C)cc2=O)s1 ZINC000008375999 494087298 /nfs/dbraw/zinc/08/72/98/494087298.db2.gz IXSQRBUSNGPDDN-UHFFFAOYSA-N 1 2 366.899 3.363 20 30 FGEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000053153942 494099748 /nfs/dbraw/zinc/09/97/48/494099748.db2.gz HGZIHGPCIOEHTG-SNVBAGLBSA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000053153942 494099754 /nfs/dbraw/zinc/09/97/54/494099754.db2.gz HGZIHGPCIOEHTG-SNVBAGLBSA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(N)cc(C)[nH+]2)cc1 ZINC000071858242 494104965 /nfs/dbraw/zinc/10/49/65/494104965.db2.gz KQLJHGFPEABEQG-AWEZNQCLSA-N 1 2 355.467 3.103 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCCC1 ZINC000008779740 494105498 /nfs/dbraw/zinc/10/54/98/494105498.db2.gz MPBHAHQQROVOCT-UHFFFAOYSA-N 1 2 354.479 3.290 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCCC1 ZINC000008779740 494105504 /nfs/dbraw/zinc/10/55/04/494105504.db2.gz MPBHAHQQROVOCT-UHFFFAOYSA-N 1 2 354.479 3.290 20 30 FGEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccc(OC)cc1 ZINC000054271919 494214534 /nfs/dbraw/zinc/21/45/34/494214534.db2.gz SNBGBXQODVMRNZ-UHFFFAOYSA-N 1 2 370.449 3.298 20 30 FGEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1ccc(OC)cc1 ZINC000054271919 494214537 /nfs/dbraw/zinc/21/45/37/494214537.db2.gz SNBGBXQODVMRNZ-UHFFFAOYSA-N 1 2 370.449 3.298 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000065682542 494225127 /nfs/dbraw/zinc/22/51/27/494225127.db2.gz GLMJYJBZHNWTMD-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072666298 494230257 /nfs/dbraw/zinc/23/02/57/494230257.db2.gz KPEIBNJTJFYHBY-SFHVURJKSA-N 1 2 369.444 3.115 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072666298 494230260 /nfs/dbraw/zinc/23/02/60/494230260.db2.gz KPEIBNJTJFYHBY-SFHVURJKSA-N 1 2 369.444 3.115 20 30 FGEDLO N#Cc1ccc(CSc2ccccc2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000078229411 494258197 /nfs/dbraw/zinc/25/81/97/494258197.db2.gz UALISXOOFKPWTC-UHFFFAOYSA-N 1 2 362.458 3.477 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000089123372 494267368 /nfs/dbraw/zinc/26/73/68/494267368.db2.gz YCYPHNZGEGSYJF-UHFFFAOYSA-N 1 2 355.463 3.037 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cs1 ZINC000072920191 494284043 /nfs/dbraw/zinc/28/40/43/494284043.db2.gz BTZKOYGKZVRHOS-SNVBAGLBSA-N 1 2 366.874 3.272 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1N1CCOCC1 ZINC000078432373 494295701 /nfs/dbraw/zinc/29/57/01/494295701.db2.gz WGLDPWDQQBPVQC-UHFFFAOYSA-N 1 2 360.461 3.280 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1N1CCOCC1 ZINC000078432373 494295711 /nfs/dbraw/zinc/29/57/11/494295711.db2.gz WGLDPWDQQBPVQC-UHFFFAOYSA-N 1 2 360.461 3.280 20 30 FGEDLO C=C(C)C[N@@H+](CC)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000016485199 494392191 /nfs/dbraw/zinc/39/21/91/494392191.db2.gz SDIPGXICSPWABR-UHFFFAOYSA-N 1 2 366.483 3.272 20 30 FGEDLO C=C(C)C[N@H+](CC)CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC ZINC000016485199 494392195 /nfs/dbraw/zinc/39/21/95/494392195.db2.gz SDIPGXICSPWABR-UHFFFAOYSA-N 1 2 366.483 3.272 20 30 FGEDLO CCn1c(C[NH+]2CCN(c3ccccc3C#N)CC2)nc2cc(F)ccc21 ZINC000066831118 494418019 /nfs/dbraw/zinc/41/80/19/494418019.db2.gz MYIPBHIYQXDTJC-UHFFFAOYSA-N 1 2 363.440 3.389 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848301 494422790 /nfs/dbraw/zinc/42/27/90/494422790.db2.gz JZDVZDZTVHGAOK-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848301 494422793 /nfs/dbraw/zinc/42/27/93/494422793.db2.gz JZDVZDZTVHGAOK-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066849399 494423541 /nfs/dbraw/zinc/42/35/41/494423541.db2.gz DNLUMLRWKVPXNH-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066849399 494423544 /nfs/dbraw/zinc/42/35/44/494423544.db2.gz DNLUMLRWKVPXNH-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849360 494423723 /nfs/dbraw/zinc/42/37/23/494423723.db2.gz KYWUYAAIJHOSHI-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849360 494423729 /nfs/dbraw/zinc/42/37/29/494423729.db2.gz KYWUYAAIJHOSHI-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000018232806 494429784 /nfs/dbraw/zinc/42/97/84/494429784.db2.gz VVGRSXARNKSOHK-QGZVFWFLSA-N 1 2 351.450 3.358 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000018232806 494429790 /nfs/dbraw/zinc/42/97/90/494429790.db2.gz VVGRSXARNKSOHK-QGZVFWFLSA-N 1 2 351.450 3.358 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1-c1ccccc1 ZINC000571380855 505719326 /nfs/dbraw/zinc/71/93/26/505719326.db2.gz HZKYLSBMMGWWKZ-KRWDZBQOSA-N 1 2 374.448 3.207 20 30 FGEDLO COC[C@](C)(C#N)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090689007 494493823 /nfs/dbraw/zinc/49/38/23/494493823.db2.gz ODHPWQQHNLQQKJ-FQEVSTJZSA-N 1 2 354.454 3.129 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)CCc2ccccc2)c1C#N ZINC000091069603 494523105 /nfs/dbraw/zinc/52/31/05/494523105.db2.gz YBUFNBOUZBEVDR-UHFFFAOYSA-N 1 2 360.461 3.089 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)CCc2ccccc2)c1C#N ZINC000091069603 494523108 /nfs/dbraw/zinc/52/31/08/494523108.db2.gz YBUFNBOUZBEVDR-UHFFFAOYSA-N 1 2 360.461 3.089 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000079844587 494535337 /nfs/dbraw/zinc/53/53/37/494535337.db2.gz RUIVDYICNHYDAL-UHFFFAOYSA-N 1 2 369.509 3.035 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000067460025 494545071 /nfs/dbraw/zinc/54/50/71/494545071.db2.gz UAJGPXSCDKUVON-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2csc(-c3ccco3)n2)CC1 ZINC000067460025 494545075 /nfs/dbraw/zinc/54/50/75/494545075.db2.gz UAJGPXSCDKUVON-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Oc2cccnc2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361413 494605330 /nfs/dbraw/zinc/60/53/30/494605330.db2.gz QGVQJZWQGGQKIX-GOSISDBHSA-N 1 2 372.490 3.357 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Oc2cccnc2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361413 494605338 /nfs/dbraw/zinc/60/53/38/494605338.db2.gz QGVQJZWQGGQKIX-GOSISDBHSA-N 1 2 372.490 3.357 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000080424387 494699441 /nfs/dbraw/zinc/69/94/41/494699441.db2.gz CBOLKXVLDNJMNT-UHFFFAOYSA-N 1 2 360.417 3.100 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000126460110 494758835 /nfs/dbraw/zinc/75/88/35/494758835.db2.gz ARMYOQWJCQVQAV-QGZVFWFLSA-N 1 2 370.478 3.045 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000126460110 494758843 /nfs/dbraw/zinc/75/88/43/494758843.db2.gz ARMYOQWJCQVQAV-QGZVFWFLSA-N 1 2 370.478 3.045 20 30 FGEDLO Cc1cccc(C2=CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000092821930 494763565 /nfs/dbraw/zinc/76/35/65/494763565.db2.gz PSUXDBLJMRVYRY-UHFFFAOYSA-N 1 2 366.486 3.430 20 30 FGEDLO Cc1cccc(C2=CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 ZINC000092821930 494763575 /nfs/dbraw/zinc/76/35/75/494763575.db2.gz PSUXDBLJMRVYRY-UHFFFAOYSA-N 1 2 366.486 3.430 20 30 FGEDLO N#Cc1ccc2nc(N3CC[NH+](Cc4ccc(Cl)nc4)CC3)ccc2c1 ZINC000092898415 494785007 /nfs/dbraw/zinc/78/50/07/494785007.db2.gz UYPZLPKDNHIOAT-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000047880529 494786711 /nfs/dbraw/zinc/78/67/11/494786711.db2.gz CIKAHDJLEDZTJO-HNNXBMFYSA-N 1 2 368.868 3.361 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@H](C#N)C4CC4)c3)cn2c1 ZINC000108842481 494795171 /nfs/dbraw/zinc/79/51/71/494795171.db2.gz DIBKVUJSOXCHHU-LJQANCHMSA-N 1 2 360.417 3.254 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000026320512 494817705 /nfs/dbraw/zinc/81/77/05/494817705.db2.gz KYKRKIQJEZFSGQ-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000026320512 494817712 /nfs/dbraw/zinc/81/77/12/494817712.db2.gz KYKRKIQJEZFSGQ-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000093090816 494824715 /nfs/dbraw/zinc/82/47/15/494824715.db2.gz XBTNBGXSWNMQSC-KRWDZBQOSA-N 1 2 373.497 3.211 20 30 FGEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000093090816 494824718 /nfs/dbraw/zinc/82/47/18/494824718.db2.gz XBTNBGXSWNMQSC-KRWDZBQOSA-N 1 2 373.497 3.211 20 30 FGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(I)c1OC ZINC000093091023 494824955 /nfs/dbraw/zinc/82/49/55/494824955.db2.gz FWDAIPDGFVFBFT-SNVBAGLBSA-N 1 2 374.222 3.042 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(I)c1OC ZINC000093091023 494824957 /nfs/dbraw/zinc/82/49/57/494824957.db2.gz FWDAIPDGFVFBFT-SNVBAGLBSA-N 1 2 374.222 3.042 20 30 FGEDLO CCOc1cc(C[N@@H+](CCC#N)CCOC)cc(Br)c1OC ZINC000093100095 494825605 /nfs/dbraw/zinc/82/56/05/494825605.db2.gz RVLMWBTWQIDOQO-UHFFFAOYSA-N 1 2 371.275 3.218 20 30 FGEDLO CCOc1cc(C[N@H+](CCC#N)CCOC)cc(Br)c1OC ZINC000093100095 494825608 /nfs/dbraw/zinc/82/56/08/494825608.db2.gz RVLMWBTWQIDOQO-UHFFFAOYSA-N 1 2 371.275 3.218 20 30 FGEDLO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000027382553 494865843 /nfs/dbraw/zinc/86/58/43/494865843.db2.gz RZOJFDAHSOWMPG-UHFFFAOYSA-N 1 2 368.868 3.281 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000027777446 494884768 /nfs/dbraw/zinc/88/47/68/494884768.db2.gz ZXHHPETWIUJAMG-UHFFFAOYSA-N 1 2 351.450 3.015 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000027777446 494884775 /nfs/dbraw/zinc/88/47/75/494884775.db2.gz ZXHHPETWIUJAMG-UHFFFAOYSA-N 1 2 351.450 3.015 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(I)cc1C ZINC000122289833 494952214 /nfs/dbraw/zinc/95/22/14/494952214.db2.gz ONQMZYJEIZKFIN-UHFFFAOYSA-N 1 2 370.234 3.212 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000133102797 494969421 /nfs/dbraw/zinc/96/94/21/494969421.db2.gz UKEHWLPVIBTJCB-LPHOPBHVSA-N 1 2 369.852 3.281 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000133102797 494969425 /nfs/dbraw/zinc/96/94/25/494969425.db2.gz UKEHWLPVIBTJCB-LPHOPBHVSA-N 1 2 369.852 3.281 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000133102626 494969812 /nfs/dbraw/zinc/96/98/12/494969812.db2.gz UKEHWLPVIBTJCB-APWZRJJASA-N 1 2 369.852 3.281 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000133102626 494969817 /nfs/dbraw/zinc/96/98/17/494969817.db2.gz UKEHWLPVIBTJCB-APWZRJJASA-N 1 2 369.852 3.281 20 30 FGEDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127641969 494975049 /nfs/dbraw/zinc/97/50/49/494975049.db2.gz UNWBFGUVAYFBMF-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127641969 494975053 /nfs/dbraw/zinc/97/50/53/494975053.db2.gz UNWBFGUVAYFBMF-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000122534611 494990385 /nfs/dbraw/zinc/99/03/85/494990385.db2.gz RKTFEUAJRFSYAC-LJQANCHMSA-N 1 2 351.450 3.087 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000122534611 494990388 /nfs/dbraw/zinc/99/03/88/494990388.db2.gz RKTFEUAJRFSYAC-LJQANCHMSA-N 1 2 351.450 3.087 20 30 FGEDLO C=CCCOCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000122688292 495016026 /nfs/dbraw/zinc/01/60/26/495016026.db2.gz OGJFWLQFFMKISP-IAGOWNOFSA-N 1 2 361.486 3.010 20 30 FGEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc2c(c1)OCO2 ZINC000096982012 495017223 /nfs/dbraw/zinc/01/72/23/495017223.db2.gz KOWJEKQPDUXOSV-UHFFFAOYSA-N 1 2 371.462 3.426 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc2c(c1)OCO2 ZINC000096982012 495017227 /nfs/dbraw/zinc/01/72/27/495017227.db2.gz KOWJEKQPDUXOSV-UHFFFAOYSA-N 1 2 371.462 3.426 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC([C@H](C)O)CC2)c1C#N ZINC000111284651 495058072 /nfs/dbraw/zinc/05/80/72/495058072.db2.gz SQYIKQBFSOWLAW-INIZCTEOSA-N 1 2 372.513 3.123 20 30 FGEDLO C[C@H](O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000111288653 495059348 /nfs/dbraw/zinc/05/93/48/495059348.db2.gz JSYVFONEWCPOSZ-GJZGRUSLSA-N 1 2 361.511 3.112 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000098134574 495060524 /nfs/dbraw/zinc/06/05/24/495060524.db2.gz IRJURKBGDUUFNT-STQMWFEESA-N 1 2 357.376 3.244 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000098134574 495060528 /nfs/dbraw/zinc/06/05/28/495060528.db2.gz IRJURKBGDUUFNT-STQMWFEESA-N 1 2 357.376 3.244 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000119154522 495105333 /nfs/dbraw/zinc/10/53/33/495105333.db2.gz HSGLOEQPOLQQHD-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000119221588 495120212 /nfs/dbraw/zinc/12/02/12/495120212.db2.gz WDDQMMYLCBBEFP-UHFFFAOYSA-N 1 2 350.422 3.364 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1sccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119634640 495206361 /nfs/dbraw/zinc/20/63/61/495206361.db2.gz NRXXKYDTEQFGKW-UHFFFAOYSA-N 1 2 359.451 3.269 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1sccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119634640 495206363 /nfs/dbraw/zinc/20/63/63/495206363.db2.gz NRXXKYDTEQFGKW-UHFFFAOYSA-N 1 2 359.451 3.269 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000119724381 495227550 /nfs/dbraw/zinc/22/75/50/495227550.db2.gz NQAMLDPFPGUVAQ-UHFFFAOYSA-N 1 2 374.267 3.457 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000119724381 495227555 /nfs/dbraw/zinc/22/75/55/495227555.db2.gz NQAMLDPFPGUVAQ-UHFFFAOYSA-N 1 2 374.267 3.457 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(C#N)c1 ZINC000124124525 495238116 /nfs/dbraw/zinc/23/81/16/495238116.db2.gz NNLRVPIYVYLPFN-UHFFFAOYSA-N 1 2 352.463 3.130 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(C#N)c1 ZINC000124124525 495238118 /nfs/dbraw/zinc/23/81/18/495238118.db2.gz NNLRVPIYVYLPFN-UHFFFAOYSA-N 1 2 352.463 3.130 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000119914300 495268387 /nfs/dbraw/zinc/26/83/87/495268387.db2.gz ZDEKBVDSDPRMHM-INIZCTEOSA-N 1 2 367.478 3.194 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000113640184 495323888 /nfs/dbraw/zinc/32/38/88/495323888.db2.gz SIGKXCGDHGTMHU-UHFFFAOYSA-N 1 2 374.444 3.068 20 30 FGEDLO CCCCCc1nnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000136480543 495382280 /nfs/dbraw/zinc/38/22/80/495382280.db2.gz YCSBHSWPHMJFKU-UHFFFAOYSA-N 1 2 357.483 3.213 20 30 FGEDLO CCCCCc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000136480543 495382285 /nfs/dbraw/zinc/38/22/85/495382285.db2.gz YCSBHSWPHMJFKU-UHFFFAOYSA-N 1 2 357.483 3.213 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000577701169 505778386 /nfs/dbraw/zinc/77/83/86/505778386.db2.gz MRZGONSFQFISFR-MJGOQNOKSA-N 1 2 354.454 3.035 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000137251691 495432533 /nfs/dbraw/zinc/43/25/33/495432533.db2.gz VGAVHCFLPQZNEI-AWEZNQCLSA-N 1 2 356.495 3.459 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000137251691 495432535 /nfs/dbraw/zinc/43/25/35/495432535.db2.gz VGAVHCFLPQZNEI-AWEZNQCLSA-N 1 2 356.495 3.459 20 30 FGEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)c1 ZINC000580543358 505782777 /nfs/dbraw/zinc/78/27/77/505782777.db2.gz CFSIRBIRMLMZJF-OXJNMPFZSA-N 1 2 367.474 3.213 20 30 FGEDLO C=CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000130974846 495474434 /nfs/dbraw/zinc/47/44/34/495474434.db2.gz SZQOEFBTUXNGNF-RTWAWAEBSA-N 1 2 370.541 3.115 20 30 FGEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nnnn1-c1ccccc1 ZINC000115630788 495521391 /nfs/dbraw/zinc/52/13/91/495521391.db2.gz XORCYKYNQCQYPJ-MRXNPFEDSA-N 1 2 362.437 3.196 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4F)CC3)o2)cc1 ZINC000173510570 495566142 /nfs/dbraw/zinc/56/61/42/495566142.db2.gz BPGBOPMORZDZRE-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330121 495583444 /nfs/dbraw/zinc/58/34/44/495583444.db2.gz VZEMTOGPZBXZKW-QZTJIDSGSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330121 495583447 /nfs/dbraw/zinc/58/34/47/495583447.db2.gz VZEMTOGPZBXZKW-QZTJIDSGSA-N 1 2 361.898 3.435 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc(OC)c1O ZINC000185617325 495646852 /nfs/dbraw/zinc/64/68/52/495646852.db2.gz DXMRZJUVVSUFFN-OAHLLOKOSA-N 1 2 373.522 3.465 20 30 FGEDLO Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000154614509 495672862 /nfs/dbraw/zinc/67/28/62/495672862.db2.gz FOITWGILOIHANV-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000182724007 495678030 /nfs/dbraw/zinc/67/80/30/495678030.db2.gz PQMLZYGCADOSFD-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000182724007 495678034 /nfs/dbraw/zinc/67/80/34/495678034.db2.gz PQMLZYGCADOSFD-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OC1CCCC1 ZINC000154746574 495716067 /nfs/dbraw/zinc/71/60/67/495716067.db2.gz OOHFWJQAEUFIJQ-UHFFFAOYSA-N 1 2 357.498 3.056 20 30 FGEDLO Cc1cc(F)ccc1-c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000154768517 495723214 /nfs/dbraw/zinc/72/32/14/495723214.db2.gz NOBPGDXMCSPZLG-UHFFFAOYSA-N 1 2 371.456 3.442 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000185937847 495789336 /nfs/dbraw/zinc/78/93/36/495789336.db2.gz ZZRIPYJDRABMDP-QMTHXVAHSA-N 1 2 362.421 3.257 20 30 FGEDLO CC(C)([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)C(=O)NCC1CCCC1 ZINC000155158332 495856295 /nfs/dbraw/zinc/85/62/95/495856295.db2.gz KFGKVAWHHZXDHH-UHFFFAOYSA-N 1 2 366.465 3.388 20 30 FGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183362954 495948144 /nfs/dbraw/zinc/94/81/44/495948144.db2.gz MEATVUHKEYKFNU-GFCCVEGCSA-N 1 2 361.257 3.266 20 30 FGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183362954 495948150 /nfs/dbraw/zinc/94/81/50/495948150.db2.gz MEATVUHKEYKFNU-GFCCVEGCSA-N 1 2 361.257 3.266 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)CC1 ZINC000571782561 505814275 /nfs/dbraw/zinc/81/42/75/505814275.db2.gz QVNGOXAEVQBUJQ-UHFFFAOYSA-N 1 2 373.478 3.418 20 30 FGEDLO C=CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2cccnc2)c(OC)c1 ZINC000151948213 496001178 /nfs/dbraw/zinc/00/11/78/496001178.db2.gz ONULLEXPMZQOJP-GOSISDBHSA-N 1 2 365.433 3.122 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4cccnc4C3)sc2C1 ZINC000580710647 505820307 /nfs/dbraw/zinc/82/03/07/505820307.db2.gz LQCKBTIQKPGIEI-CYBMUJFWSA-N 1 2 366.490 3.484 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4cccnc4C3)sc2C1 ZINC000580710647 505820311 /nfs/dbraw/zinc/82/03/11/505820311.db2.gz LQCKBTIQKPGIEI-CYBMUJFWSA-N 1 2 366.490 3.484 20 30 FGEDLO N#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1F ZINC000161381877 496165069 /nfs/dbraw/zinc/16/50/69/496165069.db2.gz XVELTYFNFFYQTR-MOPGFXCFSA-N 1 2 369.465 3.297 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000172113770 496170715 /nfs/dbraw/zinc/17/07/15/496170715.db2.gz XYAYFSNVCKHDDO-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174973037 496188749 /nfs/dbraw/zinc/18/87/49/496188749.db2.gz HOAIJMQHKRNASF-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174973037 496188755 /nfs/dbraw/zinc/18/87/55/496188755.db2.gz HOAIJMQHKRNASF-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181058440 496255430 /nfs/dbraw/zinc/25/54/30/496255430.db2.gz IMOWCCQZKZJDHJ-HNNXBMFYSA-N 1 2 364.287 3.201 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181058440 496255437 /nfs/dbraw/zinc/25/54/37/496255437.db2.gz IMOWCCQZKZJDHJ-HNNXBMFYSA-N 1 2 364.287 3.201 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184151861 496260385 /nfs/dbraw/zinc/26/03/85/496260385.db2.gz XNMHOAREWPOZQQ-INIZCTEOSA-N 1 2 365.437 3.117 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCOC4(C3)CCCCCC4)C2=O)cc1 ZINC000152805195 496261860 /nfs/dbraw/zinc/26/18/60/496261860.db2.gz XWUROFAOMGAJGR-LJQANCHMSA-N 1 2 353.466 3.089 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCOC4(C3)CCCCCC4)C2=O)cc1 ZINC000152805195 496261862 /nfs/dbraw/zinc/26/18/62/496261862.db2.gz XWUROFAOMGAJGR-LJQANCHMSA-N 1 2 353.466 3.089 20 30 FGEDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336668 496338760 /nfs/dbraw/zinc/33/87/60/496338760.db2.gz NOKKBXJZWSCEJM-KGLIPLIRSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336668 496338762 /nfs/dbraw/zinc/33/87/62/496338762.db2.gz NOKKBXJZWSCEJM-KGLIPLIRSA-N 1 2 361.511 3.062 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000175350613 496351122 /nfs/dbraw/zinc/35/11/22/496351122.db2.gz MBSFAXPOILASIG-MRXNPFEDSA-N 1 2 353.426 3.085 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccco1 ZINC000184590322 496454309 /nfs/dbraw/zinc/45/43/09/496454309.db2.gz WZPQVYUCWQJWFO-WMZOPIPTSA-N 1 2 355.438 3.201 20 30 FGEDLO C=CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000187482974 496460647 /nfs/dbraw/zinc/46/06/47/496460647.db2.gz WQJZTTVEZLZBSY-QFIPXVFZSA-N 1 2 364.489 3.495 20 30 FGEDLO CSCC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnc2ccccn21 ZINC000184607828 496462501 /nfs/dbraw/zinc/46/25/01/496462501.db2.gz OHOFLPQLEMJACW-INIZCTEOSA-N 1 2 355.442 3.324 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178519582 496484215 /nfs/dbraw/zinc/48/42/15/496484215.db2.gz VOMIRXTYIDGFSR-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157658650 496523850 /nfs/dbraw/zinc/52/38/50/496523850.db2.gz BXPGNAKLEJEEFC-KRWDZBQOSA-N 1 2 365.408 3.231 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157658650 496523854 /nfs/dbraw/zinc/52/38/54/496523854.db2.gz BXPGNAKLEJEEFC-KRWDZBQOSA-N 1 2 365.408 3.231 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000184855416 496560396 /nfs/dbraw/zinc/56/03/96/496560396.db2.gz HVTSZLZKNHNBDE-OAHLLOKOSA-N 1 2 361.467 3.308 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)c(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000185167439 496688647 /nfs/dbraw/zinc/68/86/47/496688647.db2.gz XWNVWHWPJJCFIO-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263944491 496770018 /nfs/dbraw/zinc/77/00/18/496770018.db2.gz IIVNSFIYRBMLIT-INIZCTEOSA-N 1 2 369.494 3.104 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000195155939 496836644 /nfs/dbraw/zinc/83/66/44/496836644.db2.gz AIHNKEUBJXUVDA-HXUWFJFHSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000195155939 496836650 /nfs/dbraw/zinc/83/66/50/496836650.db2.gz AIHNKEUBJXUVDA-HXUWFJFHSA-N 1 2 358.486 3.444 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ncccc3OCCCC#N)cn21 ZINC000188676434 496873275 /nfs/dbraw/zinc/87/32/75/496873275.db2.gz VJPCESWVMDDUTO-UHFFFAOYSA-N 1 2 364.409 3.042 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)CCCCOc3cccc(C#N)c3)cn21 ZINC000264719716 496971537 /nfs/dbraw/zinc/97/15/37/496971537.db2.gz GCSMRGBFBZLWBY-UHFFFAOYSA-N 1 2 362.433 3.380 20 30 FGEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2)CC1 ZINC000278011633 496971734 /nfs/dbraw/zinc/97/17/34/496971734.db2.gz JDORJYGPICYSCU-DLBZAZTESA-N 1 2 350.422 3.218 20 30 FGEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2)CC1 ZINC000278011633 496971740 /nfs/dbraw/zinc/97/17/40/496971740.db2.gz JDORJYGPICYSCU-DLBZAZTESA-N 1 2 350.422 3.218 20 30 FGEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000207264236 496974675 /nfs/dbraw/zinc/97/46/75/496974675.db2.gz XWADSPHUXOSQPU-DAXSKMNVSA-N 1 2 374.488 3.218 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000269696602 496990371 /nfs/dbraw/zinc/99/03/71/496990371.db2.gz XKMKWTCWLOENHF-MGPUTAFESA-N 1 2 370.884 3.422 20 30 FGEDLO C#CC[C@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000270321637 497101013 /nfs/dbraw/zinc/10/10/13/497101013.db2.gz KUIJMZDEQJDKPK-HNNXBMFYSA-N 1 2 364.371 3.351 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3ccn(CCC#N)n3)n2)C1 ZINC000265451538 497123690 /nfs/dbraw/zinc/12/36/90/497123690.db2.gz WRNFMTRICLVFEE-CYBMUJFWSA-N 1 2 373.486 3.129 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3ccn(CCC#N)n3)n2)C1 ZINC000265451538 497123695 /nfs/dbraw/zinc/12/36/95/497123695.db2.gz WRNFMTRICLVFEE-CYBMUJFWSA-N 1 2 373.486 3.129 20 30 FGEDLO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000274626230 497133056 /nfs/dbraw/zinc/13/30/56/497133056.db2.gz XVRPIXSWIPSUMA-SFHVURJKSA-N 1 2 372.469 3.182 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000192550543 497147300 /nfs/dbraw/zinc/14/73/00/497147300.db2.gz YOGWQQMFVYJUJJ-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000265869319 497196931 /nfs/dbraw/zinc/19/69/31/497196931.db2.gz PHJJCWFIPWMWGS-LJQANCHMSA-N 1 2 367.474 3.295 20 30 FGEDLO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581013656 505891176 /nfs/dbraw/zinc/89/11/76/505891176.db2.gz CLPUMMQKWRZMBR-VGSWGCGISA-N 1 2 365.477 3.005 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNC(=O)CC(C)(C)C#N)[nH+]c12 ZINC000278811833 497228099 /nfs/dbraw/zinc/22/80/99/497228099.db2.gz OQDKOCXDVZOTIE-UHFFFAOYSA-N 1 2 363.259 3.004 20 30 FGEDLO CC(C)C1(C)CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000275067953 497231456 /nfs/dbraw/zinc/23/14/56/497231456.db2.gz TVYIAOGEKUYAPG-INIZCTEOSA-N 1 2 366.465 3.270 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000270987555 497240098 /nfs/dbraw/zinc/24/00/98/497240098.db2.gz BCXXQXADHSEVOF-UHFFFAOYSA-N 1 2 363.421 3.144 20 30 FGEDLO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000275163952 497247476 /nfs/dbraw/zinc/24/74/76/497247476.db2.gz VDZLNMOVAFKDHS-KDOFPFPSSA-N 1 2 358.461 3.078 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000249874346 497253784 /nfs/dbraw/zinc/25/37/84/497253784.db2.gz GRFTWNHOXXPTNN-ZWKOTPCHSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000249874346 497253787 /nfs/dbraw/zinc/25/37/87/497253787.db2.gz GRFTWNHOXXPTNN-ZWKOTPCHSA-N 1 2 359.351 3.151 20 30 FGEDLO N#Cc1cccc(NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1 ZINC000189900477 497286696 /nfs/dbraw/zinc/28/66/96/497286696.db2.gz RFSNKAZGWRWWGD-UHFFFAOYSA-N 1 2 358.357 3.323 20 30 FGEDLO CC(C)c1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000266357225 497314162 /nfs/dbraw/zinc/31/41/62/497314162.db2.gz GIEHBICHLDGKMP-UHFFFAOYSA-N 1 2 353.426 3.019 20 30 FGEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000275506507 497346722 /nfs/dbraw/zinc/34/67/22/497346722.db2.gz UDDDESGESZKSBS-PXNSSMCTSA-N 1 2 357.454 3.123 20 30 FGEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000275506507 497346729 /nfs/dbraw/zinc/34/67/29/497346729.db2.gz UDDDESGESZKSBS-PXNSSMCTSA-N 1 2 357.454 3.123 20 30 FGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000190109019 497360162 /nfs/dbraw/zinc/36/01/62/497360162.db2.gz ZKVIGWHVQRTVSG-OAQYLSRUSA-N 1 2 350.462 3.396 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266662154 497393660 /nfs/dbraw/zinc/39/36/60/497393660.db2.gz XOIGQGYVCYBWHI-HUUCEWRRSA-N 1 2 372.469 3.209 20 30 FGEDLO C=CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Cl)s1 ZINC000268047237 497667230 /nfs/dbraw/zinc/66/72/30/497667230.db2.gz XZHFAYMFLXCDFU-UHFFFAOYSA-N 1 2 350.875 3.045 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Cl)s1 ZINC000268047237 497667236 /nfs/dbraw/zinc/66/72/36/497667236.db2.gz XZHFAYMFLXCDFU-UHFFFAOYSA-N 1 2 350.875 3.045 20 30 FGEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000272580876 497669132 /nfs/dbraw/zinc/66/91/32/497669132.db2.gz OIAVXLKLTISDFI-HNNXBMFYSA-N 1 2 367.371 3.316 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000272706618 497707930 /nfs/dbraw/zinc/70/79/30/497707930.db2.gz CNBLEUQNLMQDHX-QGZVFWFLSA-N 1 2 362.474 3.136 20 30 FGEDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc(Br)cn1 ZINC000329620526 497848603 /nfs/dbraw/zinc/84/86/03/497848603.db2.gz FJXSXKQZGCDIPF-UHFFFAOYSA-N 1 2 350.216 3.474 20 30 FGEDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc(Br)cn1 ZINC000329620526 497848607 /nfs/dbraw/zinc/84/86/07/497848607.db2.gz FJXSXKQZGCDIPF-UHFFFAOYSA-N 1 2 350.216 3.474 20 30 FGEDLO C[C@]1(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCO[C@@H]1C1CC1 ZINC000329764477 497893754 /nfs/dbraw/zinc/89/37/54/497893754.db2.gz VTJYYUKCYYCSSP-CTNGQTDRSA-N 1 2 372.513 3.423 20 30 FGEDLO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2)C1CC1 ZINC000364342152 497909937 /nfs/dbraw/zinc/90/99/37/497909937.db2.gz LWWQUFOROCZUNK-SFHVURJKSA-N 1 2 357.885 3.435 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280873533 497930862 /nfs/dbraw/zinc/93/08/62/497930862.db2.gz OJZNNSYTORHLPE-AUUYWEPGSA-N 1 2 360.454 3.270 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CCCC2 ZINC000301067352 497936954 /nfs/dbraw/zinc/93/69/54/497936954.db2.gz CZDVVNIFMSJBAL-FQEVSTJZSA-N 1 2 362.477 3.145 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CCCC2 ZINC000301067352 497936958 /nfs/dbraw/zinc/93/69/58/497936958.db2.gz CZDVVNIFMSJBAL-FQEVSTJZSA-N 1 2 362.477 3.145 20 30 FGEDLO CC(C)(C)c1nc(=NC(=O)NC2CC[NH+](C3CCCCC3)CC2)s[nH]1 ZINC000329917802 497952317 /nfs/dbraw/zinc/95/23/17/497952317.db2.gz FQOCTGDSZUOJRM-UHFFFAOYSA-N 1 2 365.547 3.381 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000329928767 497955975 /nfs/dbraw/zinc/95/59/75/497955975.db2.gz MVDDASFXAKLKHH-QRWLVFNGSA-N 1 2 354.454 3.145 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000329928767 497955983 /nfs/dbraw/zinc/95/59/83/497955983.db2.gz MVDDASFXAKLKHH-QRWLVFNGSA-N 1 2 354.454 3.145 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC000329933120 497958225 /nfs/dbraw/zinc/95/82/25/497958225.db2.gz JCCHTDKDORURCD-HRCADAONSA-N 1 2 353.438 3.120 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC000329933120 497958232 /nfs/dbraw/zinc/95/82/32/497958232.db2.gz JCCHTDKDORURCD-HRCADAONSA-N 1 2 353.438 3.120 20 30 FGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329954824 497968638 /nfs/dbraw/zinc/96/86/38/497968638.db2.gz NZAVBLKIVFDCRC-UTKZUKDTSA-N 1 2 352.482 3.413 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000329982338 497979004 /nfs/dbraw/zinc/97/90/04/497979004.db2.gz AFEPRUPKCXYIEE-FQEVSTJZSA-N 1 2 356.470 3.322 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2nccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000301192417 497992012 /nfs/dbraw/zinc/99/20/12/497992012.db2.gz MIUOTCQZSDYKOQ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2nccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000301192417 497992018 /nfs/dbraw/zinc/99/20/18/497992018.db2.gz MIUOTCQZSDYKOQ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330133790 498034213 /nfs/dbraw/zinc/03/42/13/498034213.db2.gz RKEPETFDNJXJFV-WFXMLNOXSA-N 1 2 360.498 3.152 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330133790 498034218 /nfs/dbraw/zinc/03/42/18/498034218.db2.gz RKEPETFDNJXJFV-WFXMLNOXSA-N 1 2 360.498 3.152 20 30 FGEDLO Cc1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)ccc1Br ZINC000330146127 498039085 /nfs/dbraw/zinc/03/90/85/498039085.db2.gz LIJCICRYYRHTBJ-UHFFFAOYSA-N 1 2 364.247 3.211 20 30 FGEDLO CC1(C)C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2O1 ZINC000330179507 498051347 /nfs/dbraw/zinc/05/13/47/498051347.db2.gz FJNFZLICJGWASZ-HIFRSBDPSA-N 1 2 358.417 3.143 20 30 FGEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285357072 498061048 /nfs/dbraw/zinc/06/10/48/498061048.db2.gz BDUYIOICJHHWPN-GFCCVEGCSA-N 1 2 374.441 3.024 20 30 FGEDLO CC(C)[C@@H]1N(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC12CCC2 ZINC000330219613 498067544 /nfs/dbraw/zinc/06/75/44/498067544.db2.gz PQKPDRRUBJMVQH-SJORKVTESA-N 1 2 360.502 3.312 20 30 FGEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000301357061 498072426 /nfs/dbraw/zinc/07/24/26/498072426.db2.gz KUDXAYICUUYBNN-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000575451977 505976762 /nfs/dbraw/zinc/97/67/62/505976762.db2.gz AYBLAKGCXYOJSI-INIZCTEOSA-N 1 2 371.510 3.034 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000575451977 505976766 /nfs/dbraw/zinc/97/67/66/505976766.db2.gz AYBLAKGCXYOJSI-INIZCTEOSA-N 1 2 371.510 3.034 20 30 FGEDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCc2nncn2C1 ZINC000330307235 498100346 /nfs/dbraw/zinc/10/03/46/498100346.db2.gz SAHLZGABWWYJER-ZDUSSCGKSA-N 1 2 350.426 3.205 20 30 FGEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000292800969 498150788 /nfs/dbraw/zinc/15/07/88/498150788.db2.gz YNCPZADJDICOKD-IAGOWNOFSA-N 1 2 356.470 3.229 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000364995632 498246758 /nfs/dbraw/zinc/24/67/58/498246758.db2.gz FZNVJDLLUWJQCF-IBGZPJMESA-N 1 2 369.490 3.126 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000364995632 498246765 /nfs/dbraw/zinc/24/67/65/498246765.db2.gz FZNVJDLLUWJQCF-IBGZPJMESA-N 1 2 369.490 3.126 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)[C@@H]1C ZINC000331336255 498305072 /nfs/dbraw/zinc/30/50/72/498305072.db2.gz VBBBHAIZCDHLKI-INMHGKMJSA-N 1 2 366.527 3.151 20 30 FGEDLO Cc1ccc(Oc2ccccc2CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000581551235 506013653 /nfs/dbraw/zinc/01/36/53/506013653.db2.gz GKQCJUBEQUWXLO-OAQYLSRUSA-N 1 2 351.450 3.290 20 30 FGEDLO COCCn1nnc2c1CC[N@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000293235575 498315976 /nfs/dbraw/zinc/31/59/76/498315976.db2.gz KZNNAZYADFWCQK-UHFFFAOYSA-N 1 2 373.460 3.021 20 30 FGEDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000293235575 498315982 /nfs/dbraw/zinc/31/59/82/498315982.db2.gz KZNNAZYADFWCQK-UHFFFAOYSA-N 1 2 373.460 3.021 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000293331276 498349329 /nfs/dbraw/zinc/34/93/29/498349329.db2.gz GMWWPCPTJBMWBO-CQSZACIVSA-N 1 2 358.417 3.143 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000293331276 498349330 /nfs/dbraw/zinc/34/93/30/498349330.db2.gz GMWWPCPTJBMWBO-CQSZACIVSA-N 1 2 358.417 3.143 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000572651452 506020663 /nfs/dbraw/zinc/02/06/63/506020663.db2.gz AIGOZQBYMYHREC-UHFFFAOYSA-N 1 2 353.378 3.130 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000572651452 506020665 /nfs/dbraw/zinc/02/06/65/506020665.db2.gz AIGOZQBYMYHREC-UHFFFAOYSA-N 1 2 353.378 3.130 20 30 FGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000293450284 498389491 /nfs/dbraw/zinc/38/94/91/498389491.db2.gz KNHRLQXDJVONCI-LRDDRELGSA-N 1 2 352.265 3.443 20 30 FGEDLO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000331685192 498419904 /nfs/dbraw/zinc/41/99/04/498419904.db2.gz RTODMWGLRZSUAF-OAHLLOKOSA-N 1 2 369.469 3.012 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000302232353 498454351 /nfs/dbraw/zinc/45/43/51/498454351.db2.gz ZCQUJPHKZVXVNC-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO N#Cc1c(F)ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1Cl ZINC000365446143 498470887 /nfs/dbraw/zinc/47/08/87/498470887.db2.gz GVEQYJHOBYKVKD-UHFFFAOYSA-N 1 2 360.820 3.027 20 30 FGEDLO N#Cc1c(F)ccc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1Cl ZINC000365446143 498470892 /nfs/dbraw/zinc/47/08/92/498470892.db2.gz GVEQYJHOBYKVKD-UHFFFAOYSA-N 1 2 360.820 3.027 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439240 498486015 /nfs/dbraw/zinc/48/60/15/498486015.db2.gz MSLPWGNEFKHEMY-YOEHRIQHSA-N 1 2 352.463 3.365 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439240 498486024 /nfs/dbraw/zinc/48/60/24/498486024.db2.gz MSLPWGNEFKHEMY-YOEHRIQHSA-N 1 2 352.463 3.365 20 30 FGEDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCOCCC#N ZINC000293797504 498492054 /nfs/dbraw/zinc/49/20/54/498492054.db2.gz NAAITPRJXDNQRH-CJNGLKHVSA-N 1 2 353.260 3.141 20 30 FGEDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCOCCC#N ZINC000293797504 498492059 /nfs/dbraw/zinc/49/20/59/498492059.db2.gz NAAITPRJXDNQRH-CJNGLKHVSA-N 1 2 353.260 3.141 20 30 FGEDLO C#CCNc1nc(N[C@H](C)c2ccccn2)nc(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000286737250 498493715 /nfs/dbraw/zinc/49/37/15/498493715.db2.gz DZSJHTOZLQIDFS-GASCZTMLSA-N 1 2 374.452 3.053 20 30 FGEDLO C#CCNc1nc(N[C@@H](C)c2ccccn2)nc(N[C@H](C)c2ccccn2)[nH+]1 ZINC000286737250 498493719 /nfs/dbraw/zinc/49/37/19/498493719.db2.gz DZSJHTOZLQIDFS-GASCZTMLSA-N 1 2 374.452 3.053 20 30 FGEDLO C#CCNc1nc(N[C@H](C)c2ccccn2)[nH+]c(N[C@@H](C)c2ccccn2)n1 ZINC000286737250 498493708 /nfs/dbraw/zinc/49/37/08/498493708.db2.gz DZSJHTOZLQIDFS-GASCZTMLSA-N 1 2 374.452 3.053 20 30 FGEDLO COc1cc(OC)cc([C@@H](Nc2ccc(C)c(C#N)n2)c2[nH+]ccn2C)c1 ZINC000302727811 498548580 /nfs/dbraw/zinc/54/85/80/498548580.db2.gz SYCTXPQMDGUDSI-LJQANCHMSA-N 1 2 363.421 3.214 20 30 FGEDLO N#Cc1ccccc1CSCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302795593 498579241 /nfs/dbraw/zinc/57/92/41/498579241.db2.gz OWDIKRJYCAEZDN-UHFFFAOYSA-N 1 2 371.535 3.247 20 30 FGEDLO N#Cc1ccccc1CSCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302795593 498579245 /nfs/dbraw/zinc/57/92/45/498579245.db2.gz OWDIKRJYCAEZDN-UHFFFAOYSA-N 1 2 371.535 3.247 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222022 498607654 /nfs/dbraw/zinc/60/76/54/498607654.db2.gz WEGUOIRDOMOWBQ-CVEARBPZSA-N 1 2 373.501 3.104 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222022 498607661 /nfs/dbraw/zinc/60/76/61/498607661.db2.gz WEGUOIRDOMOWBQ-CVEARBPZSA-N 1 2 373.501 3.104 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000332287301 498634304 /nfs/dbraw/zinc/63/43/04/498634304.db2.gz IUGXNLOMAOSTCU-IUODEOHRSA-N 1 2 373.254 3.241 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc[nH+]1 ZINC000287219464 498677748 /nfs/dbraw/zinc/67/77/48/498677748.db2.gz VGQAWPBUNCWRKT-UHFFFAOYSA-N 1 2 354.385 3.476 20 30 FGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000579070211 506086304 /nfs/dbraw/zinc/08/63/04/506086304.db2.gz HWXRVBHUWHZVJQ-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000366099075 498775171 /nfs/dbraw/zinc/77/51/71/498775171.db2.gz QHJCEJZADSODJO-FUHWJXTLSA-N 1 2 369.465 3.109 20 30 FGEDLO Cc1noc(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)n1 ZINC000287523017 498786009 /nfs/dbraw/zinc/78/60/09/498786009.db2.gz ZASNROLLLDBXEZ-UHFFFAOYSA-N 1 2 361.243 3.392 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283118592 498786576 /nfs/dbraw/zinc/78/65/76/498786576.db2.gz YDOLNEDQDGAGEM-UHFFFAOYSA-N 1 2 367.331 3.207 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000287657940 498827928 /nfs/dbraw/zinc/82/79/28/498827928.db2.gz WVHQMUIURDDVSC-UHFFFAOYSA-N 1 2 365.437 3.477 20 30 FGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000363475542 498839931 /nfs/dbraw/zinc/83/99/31/498839931.db2.gz PMMNPFYMPBSWCP-UHFFFAOYSA-N 1 2 363.387 3.029 20 30 FGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000363475542 498839937 /nfs/dbraw/zinc/83/99/37/498839937.db2.gz PMMNPFYMPBSWCP-UHFFFAOYSA-N 1 2 363.387 3.029 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC1CCN(c3ccccc3)CC1)CCC2 ZINC000328652869 498890559 /nfs/dbraw/zinc/89/05/59/498890559.db2.gz KTGOUZVRXROCIZ-KRWDZBQOSA-N 1 2 367.497 3.242 20 30 FGEDLO CC(C)(C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000328661807 498894854 /nfs/dbraw/zinc/89/48/54/498894854.db2.gz AJBCELURAWLFSC-UHFFFAOYSA-N 1 2 371.481 3.316 20 30 FGEDLO Cc1csc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000363636094 498918134 /nfs/dbraw/zinc/91/81/34/498918134.db2.gz UUURFKAVTALHOI-OAHLLOKOSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)CCC2 ZINC000328842224 498957900 /nfs/dbraw/zinc/95/79/00/498957900.db2.gz UQYVFCQPMKISCP-JKSUJKDBSA-N 1 2 360.502 3.453 20 30 FGEDLO Cc1csc(NC(=O)CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000328958679 498998505 /nfs/dbraw/zinc/99/85/05/498998505.db2.gz PSPYYSSSAGXIDO-HNNXBMFYSA-N 1 2 359.499 3.489 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328973011 499002692 /nfs/dbraw/zinc/00/26/92/499002692.db2.gz PEHVJIANGBTJMO-OTWHNJEPSA-N 1 2 370.497 3.101 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328973011 499002696 /nfs/dbraw/zinc/00/26/96/499002696.db2.gz PEHVJIANGBTJMO-OTWHNJEPSA-N 1 2 370.497 3.101 20 30 FGEDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000328978079 499005019 /nfs/dbraw/zinc/00/50/19/499005019.db2.gz CDSILDUFYPVSRH-ZDUSSCGKSA-N 1 2 374.876 3.163 20 30 FGEDLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000328978079 499005024 /nfs/dbraw/zinc/00/50/24/499005024.db2.gz CDSILDUFYPVSRH-ZDUSSCGKSA-N 1 2 374.876 3.163 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000366621468 499007245 /nfs/dbraw/zinc/00/72/45/499007245.db2.gz SVZDDLVGSXBMNF-ROUUACIJSA-N 1 2 350.422 3.072 20 30 FGEDLO Cc1cnc([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000366629076 499010004 /nfs/dbraw/zinc/01/00/04/499010004.db2.gz IXCWACKGRLLUEJ-QGZVFWFLSA-N 1 2 354.479 3.167 20 30 FGEDLO Cc1cnc([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000366629076 499010009 /nfs/dbraw/zinc/01/00/09/499010009.db2.gz IXCWACKGRLLUEJ-QGZVFWFLSA-N 1 2 354.479 3.167 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329057528 499028541 /nfs/dbraw/zinc/02/85/41/499028541.db2.gz IOTCLVSGZRTBBI-KDOFPFPSSA-N 1 2 352.862 3.066 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329057528 499028550 /nfs/dbraw/zinc/02/85/50/499028550.db2.gz IOTCLVSGZRTBBI-KDOFPFPSSA-N 1 2 352.862 3.066 20 30 FGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(Cc2cccnc2)CC1 ZINC000329132047 499051538 /nfs/dbraw/zinc/05/15/38/499051538.db2.gz YDUIYLLMUHLRBY-UHFFFAOYSA-N 1 2 367.497 3.026 20 30 FGEDLO C[N@@H+]1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274051 499080463 /nfs/dbraw/zinc/08/04/63/499080463.db2.gz NAUIPJAMSBAKGL-YLJYHZDGSA-N 1 2 368.868 3.185 20 30 FGEDLO C[N@H+]1CC[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274051 499080465 /nfs/dbraw/zinc/08/04/65/499080465.db2.gz NAUIPJAMSBAKGL-YLJYHZDGSA-N 1 2 368.868 3.185 20 30 FGEDLO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329256318 499085363 /nfs/dbraw/zinc/08/53/63/499085363.db2.gz XOJXJCKGJRUDGS-CHWSQXEVSA-N 1 2 362.836 3.473 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848371 499093519 /nfs/dbraw/zinc/09/35/19/499093519.db2.gz WOVZYXNMCXBYOF-QZTJIDSGSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848371 499093522 /nfs/dbraw/zinc/09/35/22/499093522.db2.gz WOVZYXNMCXBYOF-QZTJIDSGSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865960 499099150 /nfs/dbraw/zinc/09/91/50/499099150.db2.gz PWZVZMZDGHKCDZ-SWLSCSKDSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865960 499099152 /nfs/dbraw/zinc/09/91/52/499099152.db2.gz PWZVZMZDGHKCDZ-SWLSCSKDSA-N 1 2 360.845 3.170 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCCC[C@H]3O)n2)C1 ZINC000329371154 499110988 /nfs/dbraw/zinc/11/09/88/499110988.db2.gz MDMLUBMWYYPBRB-FVQBIDKESA-N 1 2 366.531 3.395 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCCC[C@H]3O)n2)C1 ZINC000329371154 499110993 /nfs/dbraw/zinc/11/09/93/499110993.db2.gz MDMLUBMWYYPBRB-FVQBIDKESA-N 1 2 366.531 3.395 20 30 FGEDLO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329421761 499119133 /nfs/dbraw/zinc/11/91/33/499119133.db2.gz HGTPQJKYPIASBD-LJQANCHMSA-N 1 2 359.445 3.449 20 30 FGEDLO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329421761 499119136 /nfs/dbraw/zinc/11/91/36/499119136.db2.gz HGTPQJKYPIASBD-LJQANCHMSA-N 1 2 359.445 3.449 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000372489775 499134044 /nfs/dbraw/zinc/13/40/44/499134044.db2.gz HXSUFNXKQRESMN-UHFFFAOYSA-N 1 2 367.424 3.447 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079043 499145276 /nfs/dbraw/zinc/14/52/76/499145276.db2.gz RSGCWCNAJNRITQ-XLIONFOSSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079043 499145279 /nfs/dbraw/zinc/14/52/79/499145279.db2.gz RSGCWCNAJNRITQ-XLIONFOSSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1c(NC2CC[NH+](Cc3cscn3)CC2)nc2cc(Cl)ccn12 ZINC000367260657 499169624 /nfs/dbraw/zinc/16/96/24/499169624.db2.gz QUHRFIKRAHZDKS-UHFFFAOYSA-N 1 2 372.885 3.392 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 ZINC000370367909 499213640 /nfs/dbraw/zinc/21/36/40/499213640.db2.gz XRMXWFMOWIKDKN-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(C)(C#N)CC3)c2C1 ZINC000370367909 499213641 /nfs/dbraw/zinc/21/36/41/499213641.db2.gz XRMXWFMOWIKDKN-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO N#Cc1c(NC2CCN(c3cccc[nH+]3)CC2)nc2cc(Cl)ccn21 ZINC000367722893 499228150 /nfs/dbraw/zinc/22/81/50/499228150.db2.gz WWZBERSCMJCBIN-UHFFFAOYSA-N 1 2 352.829 3.335 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nccc(C)n3)CC2)c(C#N)c1C ZINC000368328337 499285807 /nfs/dbraw/zinc/28/58/07/499285807.db2.gz OXOQSSFYMFXBIG-CQSZACIVSA-N 1 2 367.453 3.073 20 30 FGEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000371329957 499311315 /nfs/dbraw/zinc/31/13/15/499311315.db2.gz PTNBBINYUBXNJB-UHFFFAOYSA-N 1 2 374.444 3.244 20 30 FGEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000371329957 499311317 /nfs/dbraw/zinc/31/13/17/499311317.db2.gz PTNBBINYUBXNJB-UHFFFAOYSA-N 1 2 374.444 3.244 20 30 FGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000369004202 499355989 /nfs/dbraw/zinc/35/59/89/499355989.db2.gz QFHQREHCWUUTBO-INIZCTEOSA-N 1 2 373.844 3.459 20 30 FGEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000369004202 499355991 /nfs/dbraw/zinc/35/59/91/499355991.db2.gz QFHQREHCWUUTBO-INIZCTEOSA-N 1 2 373.844 3.459 20 30 FGEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007396 499389247 /nfs/dbraw/zinc/38/92/47/499389247.db2.gz VFWBQLZZRXKFFH-UXHICEINSA-N 1 2 362.408 3.242 20 30 FGEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007396 499389248 /nfs/dbraw/zinc/38/92/48/499389248.db2.gz VFWBQLZZRXKFFH-UXHICEINSA-N 1 2 362.408 3.242 20 30 FGEDLO N#CCCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc21 ZINC000373063857 499449585 /nfs/dbraw/zinc/44/95/85/499449585.db2.gz QVGFNDYBMHIFQW-QGZVFWFLSA-N 1 2 361.449 3.446 20 30 FGEDLO CCN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373101297 499451389 /nfs/dbraw/zinc/45/13/89/499451389.db2.gz WOXCIAUXOIMDQU-LCCNJJIFSA-N 1 2 371.444 3.338 20 30 FGEDLO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1O ZINC000375582377 499534897 /nfs/dbraw/zinc/53/48/97/499534897.db2.gz KMBHEDNHFHHLBN-GFCCVEGCSA-N 1 2 358.392 3.257 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000378588210 499534965 /nfs/dbraw/zinc/53/49/65/499534965.db2.gz BUELHMVPFPZZHF-UHFFFAOYSA-N 1 2 355.486 3.297 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(C#N)c3)CC2)cs1 ZINC000375685868 499545291 /nfs/dbraw/zinc/54/52/91/499545291.db2.gz WBZKNQPAKQIEHJ-UHFFFAOYSA-N 1 2 372.469 3.064 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(C#N)c3)CC2)cs1 ZINC000375685868 499545293 /nfs/dbraw/zinc/54/52/93/499545293.db2.gz WBZKNQPAKQIEHJ-UHFFFAOYSA-N 1 2 372.469 3.064 20 30 FGEDLO C[C@H]([NH2+]Cc1ncc(I)s1)c1ccc(C#N)cc1 ZINC000384978346 499548024 /nfs/dbraw/zinc/54/80/24/499548024.db2.gz MRLVHBBOHMSKRZ-VIFPVBQESA-N 1 2 369.231 3.470 20 30 FGEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935937 499569785 /nfs/dbraw/zinc/56/97/85/499569785.db2.gz YATDNOQXTMBTBT-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935937 499569786 /nfs/dbraw/zinc/56/97/86/499569786.db2.gz YATDNOQXTMBTBT-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)no1 ZINC000376517113 499614802 /nfs/dbraw/zinc/61/48/02/499614802.db2.gz HMTUSWUSJDDGKC-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)no1 ZINC000376517113 499614803 /nfs/dbraw/zinc/61/48/03/499614803.db2.gz HMTUSWUSJDDGKC-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO C=C(CNC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC000376731150 499632904 /nfs/dbraw/zinc/63/29/04/499632904.db2.gz XBEOFNWQHFKYOX-UHFFFAOYSA-N 1 2 356.495 3.120 20 30 FGEDLO N#Cc1cnc(N2CCC(c3[nH]cc(-c4ccc(F)c(F)c4)[nH+]3)CC2)cn1 ZINC000376912999 499645775 /nfs/dbraw/zinc/64/57/75/499645775.db2.gz YCUUFLQOTZVIDP-UHFFFAOYSA-N 1 2 366.375 3.401 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376930473 499647296 /nfs/dbraw/zinc/64/72/96/499647296.db2.gz HLBFYDPGBMECAY-VQTJNVASSA-N 1 2 356.416 3.022 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000376930473 499647297 /nfs/dbraw/zinc/64/72/97/499647297.db2.gz HLBFYDPGBMECAY-VQTJNVASSA-N 1 2 356.416 3.022 20 30 FGEDLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000410319627 499654615 /nfs/dbraw/zinc/65/46/15/499654615.db2.gz ORVSGRGFONZFFA-SFHVURJKSA-N 1 2 355.463 3.046 20 30 FGEDLO COC(=O)[C@H](c1ccsc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000410319627 499654617 /nfs/dbraw/zinc/65/46/17/499654617.db2.gz ORVSGRGFONZFFA-SFHVURJKSA-N 1 2 355.463 3.046 20 30 FGEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000377295310 499677544 /nfs/dbraw/zinc/67/75/44/499677544.db2.gz YSAINJDZXHHVSX-MRXNPFEDSA-N 1 2 357.502 3.413 20 30 FGEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000377295310 499677546 /nfs/dbraw/zinc/67/75/46/499677546.db2.gz YSAINJDZXHHVSX-MRXNPFEDSA-N 1 2 357.502 3.413 20 30 FGEDLO CCCCCCCCC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000377441889 499690965 /nfs/dbraw/zinc/69/09/65/499690965.db2.gz QUTPBOOLLCFEOY-UHFFFAOYSA-N 1 2 363.546 3.478 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190653 499709007 /nfs/dbraw/zinc/70/90/07/499709007.db2.gz IENSASDIEHRTIV-KXBFYZLASA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190653 499709009 /nfs/dbraw/zinc/70/90/09/499709009.db2.gz IENSASDIEHRTIV-KXBFYZLASA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000411197091 499709885 /nfs/dbraw/zinc/70/98/85/499709885.db2.gz VIQMHVVDPWXRFD-HNNXBMFYSA-N 1 2 373.478 3.392 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000411197091 499709887 /nfs/dbraw/zinc/70/98/87/499709887.db2.gz VIQMHVVDPWXRFD-HNNXBMFYSA-N 1 2 373.478 3.392 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071306 499757137 /nfs/dbraw/zinc/75/71/37/499757137.db2.gz FIOUZNGRYVZIKO-IBGZPJMESA-N 1 2 352.438 3.091 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071306 499757138 /nfs/dbraw/zinc/75/71/38/499757138.db2.gz FIOUZNGRYVZIKO-IBGZPJMESA-N 1 2 352.438 3.091 20 30 FGEDLO CC[C@H](C)n1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130783 499762937 /nfs/dbraw/zinc/76/29/37/499762937.db2.gz JVGKURHPGMBVQW-RDJZCZTQSA-N 1 2 373.526 3.215 20 30 FGEDLO CC[C@H](C)n1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130783 499762938 /nfs/dbraw/zinc/76/29/38/499762938.db2.gz JVGKURHPGMBVQW-RDJZCZTQSA-N 1 2 373.526 3.215 20 30 FGEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000411782911 499790164 /nfs/dbraw/zinc/79/01/64/499790164.db2.gz FHWVVFVTHXJLCV-KRWDZBQOSA-N 1 2 365.861 3.106 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411954596 499806234 /nfs/dbraw/zinc/80/62/34/499806234.db2.gz UYDABPQFXPYRFE-AEFFLSMTSA-N 1 2 367.474 3.049 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411954596 499806236 /nfs/dbraw/zinc/80/62/36/499806236.db2.gz UYDABPQFXPYRFE-AEFFLSMTSA-N 1 2 367.474 3.049 20 30 FGEDLO CC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000411952401 499806267 /nfs/dbraw/zinc/80/62/67/499806267.db2.gz VFDWVHDVNWSMJD-NRFANRHFSA-N 1 2 359.429 3.272 20 30 FGEDLO CC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000411952401 499806268 /nfs/dbraw/zinc/80/62/68/499806268.db2.gz VFDWVHDVNWSMJD-NRFANRHFSA-N 1 2 359.429 3.272 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411992299 499810818 /nfs/dbraw/zinc/81/08/18/499810818.db2.gz YWVQOSQMLQUYQL-PMACEKPBSA-N 1 2 350.418 3.316 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411992299 499810820 /nfs/dbraw/zinc/81/08/20/499810820.db2.gz YWVQOSQMLQUYQL-PMACEKPBSA-N 1 2 350.418 3.316 20 30 FGEDLO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413071243 499909888 /nfs/dbraw/zinc/90/98/88/499909888.db2.gz ZSDXXQCDNYRUPT-AWEZNQCLSA-N 1 2 367.409 3.007 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)C1=O ZINC000428945221 499965295 /nfs/dbraw/zinc/96/52/95/499965295.db2.gz KCTVZLNNUFYUQH-JQFCIGGWSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)C1=O ZINC000428945221 499965299 /nfs/dbraw/zinc/96/52/99/499965299.db2.gz KCTVZLNNUFYUQH-JQFCIGGWSA-N 1 2 368.399 3.254 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000576475695 506167763 /nfs/dbraw/zinc/16/77/63/506167763.db2.gz KKHNQPAVKHPJMM-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000576475695 506167766 /nfs/dbraw/zinc/16/77/66/506167766.db2.gz KKHNQPAVKHPJMM-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000413577490 499995487 /nfs/dbraw/zinc/99/54/87/499995487.db2.gz NAWCLXRKHNZZJM-RTBURBONSA-N 1 2 352.482 3.285 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000413577490 499995489 /nfs/dbraw/zinc/99/54/89/499995489.db2.gz NAWCLXRKHNZZJM-RTBURBONSA-N 1 2 352.482 3.285 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000413841750 500073749 /nfs/dbraw/zinc/07/37/49/500073749.db2.gz XCGRXBZQGHUHIM-QUCCMNQESA-N 1 2 351.450 3.432 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548055 500141804 /nfs/dbraw/zinc/14/18/04/500141804.db2.gz GDMAQYHKESXIJC-OALUTQOASA-N 1 2 354.450 3.053 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548055 500141808 /nfs/dbraw/zinc/14/18/08/500141808.db2.gz GDMAQYHKESXIJC-OALUTQOASA-N 1 2 354.450 3.053 20 30 FGEDLO CC(C)c1ccc(-n2ccnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414096564 500152538 /nfs/dbraw/zinc/15/25/38/500152538.db2.gz LSZWHOTUMYGQBX-SFHVURJKSA-N 1 2 358.511 3.294 20 30 FGEDLO CC(C)c1ccc(-n2ccnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414096564 500152545 /nfs/dbraw/zinc/15/25/45/500152545.db2.gz LSZWHOTUMYGQBX-SFHVURJKSA-N 1 2 358.511 3.294 20 30 FGEDLO N#CCCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430585020 500258685 /nfs/dbraw/zinc/25/86/85/500258685.db2.gz VPKNXGAXASJVMF-UHFFFAOYSA-N 1 2 359.861 3.442 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000579510007 506191170 /nfs/dbraw/zinc/19/11/70/506191170.db2.gz PATFKYITRPKLKX-KRWDZBQOSA-N 1 2 365.271 3.091 20 30 FGEDLO C=CCN1C(=O)N(Cc2cn3c(cccc3C)[nH+]2)C(=O)[C@H]1Cc1ccccc1 ZINC000431333936 500365038 /nfs/dbraw/zinc/36/50/38/500365038.db2.gz QQGSYVFYMIDGSF-LJQANCHMSA-N 1 2 374.444 3.204 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419621129 500385226 /nfs/dbraw/zinc/38/52/26/500385226.db2.gz RGVJNIRSWBNOGR-IBGZPJMESA-N 1 2 363.465 3.310 20 30 FGEDLO CN(C)c1[nH]c2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2[nH+]1 ZINC000431662958 500405383 /nfs/dbraw/zinc/40/53/83/500405383.db2.gz VRSQBPQCNDQHRS-UHFFFAOYSA-N 1 2 365.462 3.372 20 30 FGEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427785796 500432741 /nfs/dbraw/zinc/43/27/41/500432741.db2.gz FSMMSAKLTUXLJT-UHFFFAOYSA-N 1 2 367.833 3.213 20 30 FGEDLO N#Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000570556255 506195405 /nfs/dbraw/zinc/19/54/05/506195405.db2.gz XZBSYRZLBXEFBN-UHFFFAOYSA-N 1 2 372.837 3.257 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000428370635 500500992 /nfs/dbraw/zinc/50/09/92/500500992.db2.gz AXFFRCUYLZROSV-UHFFFAOYSA-N 1 2 363.436 3.499 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000432558312 500532439 /nfs/dbraw/zinc/53/24/39/500532439.db2.gz OWNUTZACQGKSMX-LJQANCHMSA-N 1 2 359.514 3.270 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421003506 500552523 /nfs/dbraw/zinc/55/25/23/500552523.db2.gz FGHXWHUBYLZRDQ-QGTPRVQTSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421003506 500552527 /nfs/dbraw/zinc/55/25/27/500552527.db2.gz FGHXWHUBYLZRDQ-QGTPRVQTSA-N 1 2 372.465 3.072 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432738482 500554576 /nfs/dbraw/zinc/55/45/76/500554576.db2.gz KESUFSCYXIKOPZ-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428774507 500555251 /nfs/dbraw/zinc/55/52/51/500555251.db2.gz WXHDLXHOGSJZFK-INIZCTEOSA-N 1 2 360.417 3.079 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428774507 500555255 /nfs/dbraw/zinc/55/52/55/500555255.db2.gz WXHDLXHOGSJZFK-INIZCTEOSA-N 1 2 360.417 3.079 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428774508 500555528 /nfs/dbraw/zinc/55/55/28/500555528.db2.gz WXHDLXHOGSJZFK-MRXNPFEDSA-N 1 2 360.417 3.079 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428774508 500555530 /nfs/dbraw/zinc/55/55/30/500555530.db2.gz WXHDLXHOGSJZFK-MRXNPFEDSA-N 1 2 360.417 3.079 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)oc1C ZINC000432785012 500563402 /nfs/dbraw/zinc/56/34/02/500563402.db2.gz RFFZIWQGVADIKH-BEFAXECRSA-N 1 2 367.449 3.318 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147188 500607203 /nfs/dbraw/zinc/60/72/03/500607203.db2.gz SAQPZJQGZPFSDL-WCQYABFASA-N 1 2 350.287 3.047 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147188 500607204 /nfs/dbraw/zinc/60/72/04/500607204.db2.gz SAQPZJQGZPFSDL-WCQYABFASA-N 1 2 350.287 3.047 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000443069777 500674541 /nfs/dbraw/zinc/67/45/41/500674541.db2.gz NMFUKVWAXZQALB-JOCHJYFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000443069777 500674544 /nfs/dbraw/zinc/67/45/44/500674544.db2.gz NMFUKVWAXZQALB-JOCHJYFZSA-N 1 2 364.445 3.129 20 30 FGEDLO C[C@@H](C#N)CN(Cc1cncc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668023 506212300 /nfs/dbraw/zinc/21/23/00/506212300.db2.gz BGQUXAZUTBKXAY-IRXDYDNUSA-N 1 2 351.498 3.330 20 30 FGEDLO C[C@@H](C#N)CN(Cc1cncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668023 506212302 /nfs/dbraw/zinc/21/23/02/506212302.db2.gz BGQUXAZUTBKXAY-IRXDYDNUSA-N 1 2 351.498 3.330 20 30 FGEDLO N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000437938845 500718756 /nfs/dbraw/zinc/71/87/56/500718756.db2.gz XRPJAHKKMFYIFH-UHFFFAOYSA-N 1 2 372.837 3.257 20 30 FGEDLO C=CCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000448377768 500756127 /nfs/dbraw/zinc/75/61/27/500756127.db2.gz WTCASAYDRZITDN-UHFFFAOYSA-N 1 2 354.454 3.371 20 30 FGEDLO C=CC[N@H+](Cc1nc(C)ccc1O)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438274307 500761503 /nfs/dbraw/zinc/76/15/03/500761503.db2.gz ABICYKBJCPDPFC-LJQANCHMSA-N 1 2 354.450 3.258 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C)ccc1O)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438274307 500761505 /nfs/dbraw/zinc/76/15/05/500761505.db2.gz ABICYKBJCPDPFC-LJQANCHMSA-N 1 2 354.450 3.258 20 30 FGEDLO CC[C@@H](CC(F)(F)F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448576424 500775166 /nfs/dbraw/zinc/77/51/66/500775166.db2.gz AEVMOCRVJDDPIJ-INIZCTEOSA-N 1 2 353.388 3.181 20 30 FGEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC12CCCC2 ZINC000448580341 500776312 /nfs/dbraw/zinc/77/63/12/500776312.db2.gz GHIMMJFPEDIZDO-FQEVSTJZSA-N 1 2 357.885 3.458 20 30 FGEDLO C=CC[C@H](CO)CNC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434255526 500817103 /nfs/dbraw/zinc/81/71/03/500817103.db2.gz VYMQTELTGFROAK-KSSFIOAISA-N 1 2 368.880 3.307 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000434415674 500839593 /nfs/dbraw/zinc/83/95/93/500839593.db2.gz JVCGETSCVJALEV-UHFFFAOYSA-N 1 2 362.408 3.137 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579050 506220398 /nfs/dbraw/zinc/22/03/98/506220398.db2.gz HDMGGZQFGHHZGH-HOCLYGCPSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579050 506220403 /nfs/dbraw/zinc/22/04/03/506220403.db2.gz HDMGGZQFGHHZGH-HOCLYGCPSA-N 1 2 351.397 3.025 20 30 FGEDLO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444789690 500901153 /nfs/dbraw/zinc/90/11/53/500901153.db2.gz FWUXOWSDPKCHNC-QGZVFWFLSA-N 1 2 364.511 3.095 20 30 FGEDLO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444789690 500901155 /nfs/dbraw/zinc/90/11/55/500901155.db2.gz FWUXOWSDPKCHNC-QGZVFWFLSA-N 1 2 364.511 3.095 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000435003970 500921878 /nfs/dbraw/zinc/92/18/78/500921878.db2.gz GXKYKOHMSMTIEU-UHFFFAOYSA-N 1 2 360.392 3.231 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CC2)c1 ZINC000435045592 500926405 /nfs/dbraw/zinc/92/64/05/500926405.db2.gz ZFZBJAOHUSCUNG-UHFFFAOYSA-N 1 2 360.461 3.292 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000449551859 501031261 /nfs/dbraw/zinc/03/12/61/501031261.db2.gz HOIGMDPYAYMZRO-GOSISDBHSA-N 1 2 369.914 3.306 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000449551859 501031264 /nfs/dbraw/zinc/03/12/64/501031264.db2.gz HOIGMDPYAYMZRO-GOSISDBHSA-N 1 2 369.914 3.306 20 30 FGEDLO Cc1cc(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)nn1CCC#N ZINC000446157411 501083371 /nfs/dbraw/zinc/08/33/71/501083371.db2.gz JMZZKEOAXLXTQW-UHFFFAOYSA-N 1 2 362.393 3.358 20 30 FGEDLO Cc1cccc(N2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000441261265 501110880 /nfs/dbraw/zinc/11/08/80/501110880.db2.gz WZKWFQBCROHONZ-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450609363 501165865 /nfs/dbraw/zinc/16/58/65/501165865.db2.gz DLBRCDBSZNCXPB-XOBRGWDASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450609363 501165868 /nfs/dbraw/zinc/16/58/68/501165868.db2.gz DLBRCDBSZNCXPB-XOBRGWDASA-N 1 2 351.837 3.494 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1(C)C ZINC000450648126 501175495 /nfs/dbraw/zinc/17/54/95/501175495.db2.gz OKQXXOBNCWNCRL-QGZVFWFLSA-N 1 2 362.393 3.336 20 30 FGEDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000596064720 506238709 /nfs/dbraw/zinc/23/87/09/506238709.db2.gz IIPACFWFSOPBOX-KRWDZBQOSA-N 1 2 360.404 3.182 20 30 FGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000447039348 501196097 /nfs/dbraw/zinc/19/60/97/501196097.db2.gz IDFSQAKZKIWGPE-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000447039348 501196100 /nfs/dbraw/zinc/19/61/00/501196100.db2.gz IDFSQAKZKIWGPE-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000451222618 501253279 /nfs/dbraw/zinc/25/32/79/501253279.db2.gz XOKFCEOHUYGYMC-UHFFFAOYSA-N 1 2 354.450 3.208 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3nc4ncccc4cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000596077365 506244700 /nfs/dbraw/zinc/24/47/00/506244700.db2.gz VFBHRYKAMRSEPQ-GASCZTMLSA-N 1 2 374.448 3.122 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1C#N ZINC000451452701 501296118 /nfs/dbraw/zinc/29/61/18/501296118.db2.gz FZMWOKIYKMYOQR-QFBILLFUSA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1C#N ZINC000451452701 501296120 /nfs/dbraw/zinc/29/61/20/501296120.db2.gz FZMWOKIYKMYOQR-QFBILLFUSA-N 1 2 372.513 3.266 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc(OC)c1OC ZINC000455487389 501315866 /nfs/dbraw/zinc/31/58/66/501315866.db2.gz QEQJFEQHTWIEAR-CZUORRHYSA-N 1 2 370.453 3.134 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1C ZINC000451874869 501390374 /nfs/dbraw/zinc/39/03/74/501390374.db2.gz SRVHYEUWNHNTLH-AWEZNQCLSA-N 1 2 371.447 3.290 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1C ZINC000451874869 501390375 /nfs/dbraw/zinc/39/03/75/501390375.db2.gz SRVHYEUWNHNTLH-AWEZNQCLSA-N 1 2 371.447 3.290 20 30 FGEDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c[nH+]1 ZINC000452043005 501423823 /nfs/dbraw/zinc/42/38/23/501423823.db2.gz PANRPAMIIJFZJQ-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1C#N ZINC000452065961 501428209 /nfs/dbraw/zinc/42/82/09/501428209.db2.gz JEILYVFYDDRAMK-KSSFIOAISA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@H](O)C2)c1C#N ZINC000452065961 501428210 /nfs/dbraw/zinc/42/82/10/501428210.db2.gz JEILYVFYDDRAMK-KSSFIOAISA-N 1 2 372.513 3.123 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000458814921 501537112 /nfs/dbraw/zinc/53/71/12/501537112.db2.gz VYUAZIYRFPWJRG-HOTGVXAUSA-N 1 2 366.481 3.105 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000458814921 501537115 /nfs/dbraw/zinc/53/71/15/501537115.db2.gz VYUAZIYRFPWJRG-HOTGVXAUSA-N 1 2 366.481 3.105 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459366385 501640282 /nfs/dbraw/zinc/64/02/82/501640282.db2.gz CIBKZJZQXTVYRD-OAHLLOKOSA-N 1 2 368.412 3.484 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000459444523 501654882 /nfs/dbraw/zinc/65/48/82/501654882.db2.gz RDGRIXBEZKSGCY-UHFFFAOYSA-N 1 2 374.404 3.212 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000459444523 501654885 /nfs/dbraw/zinc/65/48/85/501654885.db2.gz RDGRIXBEZKSGCY-UHFFFAOYSA-N 1 2 374.404 3.212 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000459462404 501658474 /nfs/dbraw/zinc/65/84/74/501658474.db2.gz JNXOIRRNRIDFLV-JGGQBBKZSA-N 1 2 370.478 3.428 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000459493073 501663728 /nfs/dbraw/zinc/66/37/28/501663728.db2.gz XSDZWLOSKHCZTJ-UHFFFAOYSA-N 1 2 354.385 3.318 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000459493073 501663729 /nfs/dbraw/zinc/66/37/29/501663729.db2.gz XSDZWLOSKHCZTJ-UHFFFAOYSA-N 1 2 354.385 3.318 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000485198016 501753710 /nfs/dbraw/zinc/75/37/10/501753710.db2.gz ZOIIXLIXYFONPO-UHFFFAOYSA-N 1 2 367.880 3.219 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000470920261 501855853 /nfs/dbraw/zinc/85/58/53/501855853.db2.gz SAZGCTNRXWGKDI-BBTUJRGHSA-N 1 2 369.509 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000470920261 501855855 /nfs/dbraw/zinc/85/58/55/501855855.db2.gz SAZGCTNRXWGKDI-BBTUJRGHSA-N 1 2 369.509 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000470920263 501855861 /nfs/dbraw/zinc/85/58/61/501855861.db2.gz SAZGCTNRXWGKDI-LVCYWYKZSA-N 1 2 369.509 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000470920263 501855865 /nfs/dbraw/zinc/85/58/65/501855865.db2.gz SAZGCTNRXWGKDI-LVCYWYKZSA-N 1 2 369.509 3.438 20 30 FGEDLO CCOC(=O)C1([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CCCCC1 ZINC000478053902 501867008 /nfs/dbraw/zinc/86/70/08/501867008.db2.gz NJZYGRJPVMQYLC-UHFFFAOYSA-N 1 2 371.481 3.131 20 30 FGEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CCCCC1 ZINC000478053902 501867013 /nfs/dbraw/zinc/86/70/13/501867013.db2.gz NJZYGRJPVMQYLC-UHFFFAOYSA-N 1 2 371.481 3.131 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471001219 501888700 /nfs/dbraw/zinc/88/87/00/501888700.db2.gz NHAAZJGDTNFIOX-LJQANCHMSA-N 1 2 357.889 3.073 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464274588 501940578 /nfs/dbraw/zinc/94/05/78/501940578.db2.gz IFJHVMOZLBJNDW-KRWDZBQOSA-N 1 2 374.444 3.229 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cc(C#N)cnn2)cc1 ZINC000596168255 506289793 /nfs/dbraw/zinc/28/97/93/506289793.db2.gz SCQGJZCZBQVNIE-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c1C#N ZINC000471819919 502145571 /nfs/dbraw/zinc/14/55/71/502145571.db2.gz KEOORQOBTRDZJM-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO N#Cc1c(C#N)c2c(nc1NCCCNc1cccc[nH+]1)CCCCCC2 ZINC000479374255 502238706 /nfs/dbraw/zinc/23/87/06/502238706.db2.gz WHLNYEXJDSFSEB-UHFFFAOYSA-N 1 2 360.465 3.215 20 30 FGEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000483038507 502253942 /nfs/dbraw/zinc/25/39/42/502253942.db2.gz UTDWPQRTJQXRIA-QGZVFWFLSA-N 1 2 358.486 3.141 20 30 FGEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000483038507 502253949 /nfs/dbraw/zinc/25/39/49/502253949.db2.gz UTDWPQRTJQXRIA-QGZVFWFLSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 ZINC000483340731 502355233 /nfs/dbraw/zinc/35/52/33/502355233.db2.gz VHRHYJXZWUVYLC-UHFFFAOYSA-N 1 2 372.390 3.497 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 ZINC000483340731 502355240 /nfs/dbraw/zinc/35/52/40/502355240.db2.gz VHRHYJXZWUVYLC-UHFFFAOYSA-N 1 2 372.390 3.497 20 30 FGEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)ccc1F ZINC000469575549 502468828 /nfs/dbraw/zinc/46/88/28/502468828.db2.gz YTCWJQDDAAGYSC-UHFFFAOYSA-N 1 2 352.413 3.403 20 30 FGEDLO CC(C)(C)CCOc1cnccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000487917900 502565951 /nfs/dbraw/zinc/56/59/51/502565951.db2.gz MXWRZPCCMSVWKR-IBGZPJMESA-N 1 2 366.465 3.084 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(N4CCO[C@@H](C)C4)[nH+]c3)c2c1 ZINC000488056084 502613946 /nfs/dbraw/zinc/61/39/46/502613946.db2.gz JZPVMBCOPWHVQX-INIZCTEOSA-N 1 2 373.460 3.069 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857974 506329768 /nfs/dbraw/zinc/32/97/68/506329768.db2.gz ZRDCNKJOABLXQK-MRXNPFEDSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857974 506329774 /nfs/dbraw/zinc/32/97/74/506329774.db2.gz ZRDCNKJOABLXQK-MRXNPFEDSA-N 1 2 354.841 3.425 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@H](C#N)C(C)C)c3)cn2c1 ZINC000470349406 502745898 /nfs/dbraw/zinc/74/58/98/502745898.db2.gz IOHCJGHLKGUOEU-LJQANCHMSA-N 1 2 362.433 3.500 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCSC[C@H]2C)c1C#N ZINC000467145815 502801477 /nfs/dbraw/zinc/80/14/77/502801477.db2.gz FGPIBYFTRKWKSZ-CQSZACIVSA-N 1 2 368.506 3.342 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCSC[C@H]2C)c1C#N ZINC000467145815 502801482 /nfs/dbraw/zinc/80/14/82/502801482.db2.gz FGPIBYFTRKWKSZ-CQSZACIVSA-N 1 2 368.506 3.342 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000488818261 502818477 /nfs/dbraw/zinc/81/84/77/502818477.db2.gz GUCMOVIKCAPYQF-OALUTQOASA-N 1 2 373.884 3.129 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000488818261 502818480 /nfs/dbraw/zinc/81/84/80/502818480.db2.gz GUCMOVIKCAPYQF-OALUTQOASA-N 1 2 373.884 3.129 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000505174943 502864522 /nfs/dbraw/zinc/86/45/22/502864522.db2.gz OGZBFNCRECXTAV-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)c(F)c1 ZINC000593028089 506346141 /nfs/dbraw/zinc/34/61/41/506346141.db2.gz KLXHEPUKROHJGD-UHFFFAOYSA-N 1 2 354.429 3.274 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1F ZINC000505985738 503024756 /nfs/dbraw/zinc/02/47/56/503024756.db2.gz CPSXRYIWLXNADX-IBGZPJMESA-N 1 2 366.371 3.018 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cc(F)cc(C#N)c1 ZINC000506041957 503034987 /nfs/dbraw/zinc/03/49/87/503034987.db2.gz ZKOKUVJYURIDEX-UHFFFAOYSA-N 1 2 371.481 3.381 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513974499 503059398 /nfs/dbraw/zinc/05/93/98/503059398.db2.gz ORORERLAOIZHCK-BFUOFWGJSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513974499 503059402 /nfs/dbraw/zinc/05/94/02/503059402.db2.gz ORORERLAOIZHCK-BFUOFWGJSA-N 1 2 355.800 3.325 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c[nH+]1 ZINC000506323336 503094242 /nfs/dbraw/zinc/09/42/42/503094242.db2.gz CSLDPRZRYZZIJY-UHFFFAOYSA-N 1 2 366.440 3.287 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490090046 503107642 /nfs/dbraw/zinc/10/76/42/503107642.db2.gz NFAPEOMOOYWOAD-PKFCDNJMSA-N 1 2 362.421 3.255 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1C ZINC000602925292 506354675 /nfs/dbraw/zinc/35/46/75/506354675.db2.gz KDFBZNWSQUZNOY-UHFFFAOYSA-N 1 2 350.426 3.074 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1C ZINC000602925292 506354682 /nfs/dbraw/zinc/35/46/82/506354682.db2.gz KDFBZNWSQUZNOY-UHFFFAOYSA-N 1 2 350.426 3.074 20 30 FGEDLO N#Cc1csc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000506640414 503147820 /nfs/dbraw/zinc/14/78/20/503147820.db2.gz YXUDGAOVZOBJRM-IBGZPJMESA-N 1 2 351.475 3.169 20 30 FGEDLO N#Cc1csc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000506640414 503147823 /nfs/dbraw/zinc/14/78/23/503147823.db2.gz YXUDGAOVZOBJRM-IBGZPJMESA-N 1 2 351.475 3.169 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(Br)c1 ZINC000506686016 503155594 /nfs/dbraw/zinc/15/55/94/503155594.db2.gz AQPOIDDWSBZUIH-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510886352 503211222 /nfs/dbraw/zinc/21/12/22/503211222.db2.gz BUWHQIKXCPZLCW-LLVKDONJSA-N 1 2 359.323 3.240 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000507019300 503213288 /nfs/dbraw/zinc/21/32/88/503213288.db2.gz BVUFGTZLQZVVAH-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000502508326 503213630 /nfs/dbraw/zinc/21/36/30/503213630.db2.gz RAEODACYMVCTLU-UHFFFAOYSA-N 1 2 361.401 3.015 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000502508326 503213632 /nfs/dbraw/zinc/21/36/32/503213632.db2.gz RAEODACYMVCTLU-UHFFFAOYSA-N 1 2 361.401 3.015 20 30 FGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510953145 503224510 /nfs/dbraw/zinc/22/45/10/503224510.db2.gz RNQSSOHCDZPMJL-LJQANCHMSA-N 1 2 373.472 3.467 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1C#N ZINC000593054996 506362770 /nfs/dbraw/zinc/36/27/70/506362770.db2.gz PUTSEPQEQIUVTC-UHFFFAOYSA-N 1 2 356.319 3.211 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905421 503305014 /nfs/dbraw/zinc/30/50/14/503305014.db2.gz VQBQKQJTEZNBLR-TZIWHRDSSA-N 1 2 372.415 3.316 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905421 503305016 /nfs/dbraw/zinc/30/50/16/503305016.db2.gz VQBQKQJTEZNBLR-TZIWHRDSSA-N 1 2 372.415 3.316 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000515466757 503344023 /nfs/dbraw/zinc/34/40/23/503344023.db2.gz RUHALKADHNTTGT-CQSZACIVSA-N 1 2 369.494 3.242 20 30 FGEDLO N#Cc1c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cccc1C(F)F ZINC000599185334 506365846 /nfs/dbraw/zinc/36/58/46/506365846.db2.gz QKIYUXGBDOBROK-HNNXBMFYSA-N 1 2 358.392 3.204 20 30 FGEDLO N#Cc1c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cccc1C(F)F ZINC000599185334 506365855 /nfs/dbraw/zinc/36/58/55/506365855.db2.gz QKIYUXGBDOBROK-HNNXBMFYSA-N 1 2 358.392 3.204 20 30 FGEDLO N#Cc1cc(NC(=O)Cc2cn3ccccc3[nH+]2)ccc1OC(F)(F)F ZINC000508204822 503452334 /nfs/dbraw/zinc/45/23/34/503452334.db2.gz YLHCRUITRLUOKF-UHFFFAOYSA-N 1 2 360.295 3.286 20 30 FGEDLO CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000508317714 503473006 /nfs/dbraw/zinc/47/30/06/503473006.db2.gz LRIIEQPSAYHLRF-IBGZPJMESA-N 1 2 366.465 3.001 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000512193442 503482430 /nfs/dbraw/zinc/48/24/30/503482430.db2.gz HYUULRRFOSCFTO-HNNXBMFYSA-N 1 2 374.506 3.185 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000512193442 503482431 /nfs/dbraw/zinc/48/24/31/503482431.db2.gz HYUULRRFOSCFTO-HNNXBMFYSA-N 1 2 374.506 3.185 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512196188 503483110 /nfs/dbraw/zinc/48/31/10/503483110.db2.gz NFTFHZNBWKCKSS-UHFFFAOYSA-N 1 2 356.466 3.117 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512196188 503483115 /nfs/dbraw/zinc/48/31/15/503483115.db2.gz NFTFHZNBWKCKSS-UHFFFAOYSA-N 1 2 356.466 3.117 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000494244852 503510887 /nfs/dbraw/zinc/51/08/87/503510887.db2.gz MDVPDTKTMDPVQQ-AEFFLSMTSA-N 1 2 354.454 3.268 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000504018858 503510930 /nfs/dbraw/zinc/51/09/30/503510930.db2.gz LDPLXQZKHUJSHI-UHFFFAOYSA-N 1 2 362.433 3.016 20 30 FGEDLO COc1cccc(C2(F)CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000500155271 503566139 /nfs/dbraw/zinc/56/61/39/503566139.db2.gz BEFJGNUFYIYSDL-IBGZPJMESA-N 1 2 367.424 3.054 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512506322 503572649 /nfs/dbraw/zinc/57/26/49/503572649.db2.gz JXFJIJJKPXAHLS-UHFFFAOYSA-N 1 2 358.461 3.298 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512506322 503572652 /nfs/dbraw/zinc/57/26/52/503572652.db2.gz JXFJIJJKPXAHLS-UHFFFAOYSA-N 1 2 358.461 3.298 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512517675 503574674 /nfs/dbraw/zinc/57/46/74/503574674.db2.gz ZLZKSDLTJLMPNY-QGZVFWFLSA-N 1 2 372.517 3.220 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512517675 503574680 /nfs/dbraw/zinc/57/46/80/503574680.db2.gz ZLZKSDLTJLMPNY-QGZVFWFLSA-N 1 2 372.517 3.220 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000512531577 503578549 /nfs/dbraw/zinc/57/85/49/503578549.db2.gz HHBUDBOQPYHDNG-XLIONFOSSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000512531577 503578553 /nfs/dbraw/zinc/57/85/53/503578553.db2.gz HHBUDBOQPYHDNG-XLIONFOSSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2c(C)cccc2n1 ZINC000512547099 503581264 /nfs/dbraw/zinc/58/12/64/503581264.db2.gz IXFIKPMMHDVELA-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2c(C)cccc2n1 ZINC000512547099 503581267 /nfs/dbraw/zinc/58/12/67/503581267.db2.gz IXFIKPMMHDVELA-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=CC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)c1ccccc1 ZINC000516777333 503585788 /nfs/dbraw/zinc/58/57/88/503585788.db2.gz WKSPOMSYMRKYLO-HXUWFJFHSA-N 1 2 363.465 3.005 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508885778 503588690 /nfs/dbraw/zinc/58/86/90/503588690.db2.gz TYEVAZRDWIKEBW-UHFFFAOYSA-N 1 2 363.918 3.379 20 30 FGEDLO CCn1cc(C[N@H+](CC(=O)Nc2ccccc2SCC#N)C(C)C)cn1 ZINC000593079589 506381006 /nfs/dbraw/zinc/38/10/06/506381006.db2.gz IIAUBFOCQLWXNY-UHFFFAOYSA-N 1 2 371.510 3.368 20 30 FGEDLO CCn1cc(C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C(C)C)cn1 ZINC000593079589 506381008 /nfs/dbraw/zinc/38/10/08/506381008.db2.gz IIAUBFOCQLWXNY-UHFFFAOYSA-N 1 2 371.510 3.368 20 30 FGEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508963337 503608782 /nfs/dbraw/zinc/60/87/82/503608782.db2.gz RUPJQVFFMBOZKO-UHFFFAOYSA-N 1 2 371.916 3.392 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527048616 503657917 /nfs/dbraw/zinc/65/79/17/503657917.db2.gz BJZNCQGVRDPFHT-CABCVRRESA-N 1 2 361.873 3.134 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527048616 503657918 /nfs/dbraw/zinc/65/79/18/503657918.db2.gz BJZNCQGVRDPFHT-CABCVRRESA-N 1 2 361.873 3.134 20 30 FGEDLO CCOC(=O)C1([NH2+]CCCOc2cccc(C#N)c2)Cc2ccccc2C1 ZINC000533058891 503717767 /nfs/dbraw/zinc/71/77/67/503717767.db2.gz TUMLOJKDCIVLTG-UHFFFAOYSA-N 1 2 364.445 3.017 20 30 FGEDLO CC(C)n1nccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000527220277 503724641 /nfs/dbraw/zinc/72/46/41/503724641.db2.gz AFZGDCFAOBTKFA-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000517428261 503742951 /nfs/dbraw/zinc/74/29/51/503742951.db2.gz DEYNWDWQYVCDPO-IBGZPJMESA-N 1 2 369.490 3.263 20 30 FGEDLO Cc1ccc([C@@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000517428261 503742957 /nfs/dbraw/zinc/74/29/57/503742957.db2.gz DEYNWDWQYVCDPO-IBGZPJMESA-N 1 2 369.490 3.263 20 30 FGEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000527531210 503827770 /nfs/dbraw/zinc/82/77/70/503827770.db2.gz UIGBGOOBNSKXMN-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000533395290 503829434 /nfs/dbraw/zinc/82/94/34/503829434.db2.gz QZLFJNGMHAWWCI-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000533395290 503829439 /nfs/dbraw/zinc/82/94/39/503829439.db2.gz QZLFJNGMHAWWCI-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO Cc1ccccc1C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527683855 503894567 /nfs/dbraw/zinc/89/45/67/503894567.db2.gz AKMGOQFMLUSEMI-LJQANCHMSA-N 1 2 361.489 3.390 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518389750 503971805 /nfs/dbraw/zinc/97/18/05/503971805.db2.gz CFPDCAFFFQEMFH-UHFFFAOYSA-N 1 2 373.416 3.137 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530533303 504001238 /nfs/dbraw/zinc/00/12/38/504001238.db2.gz RZRSRQXWAZAFJW-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530596688 504021196 /nfs/dbraw/zinc/02/11/96/504021196.db2.gz WQJCMIQEYDZVJG-UHFFFAOYSA-N 1 2 365.396 3.314 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000541654992 504213067 /nfs/dbraw/zinc/21/30/67/504213067.db2.gz DJKGFBOZJFRGGS-CYBMUJFWSA-N 1 2 356.495 3.279 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000534836850 504255656 /nfs/dbraw/zinc/25/56/56/504255656.db2.gz HBVRKXGIOHIAHR-CQSZACIVSA-N 1 2 367.449 3.205 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000534836850 504255660 /nfs/dbraw/zinc/25/56/60/504255660.db2.gz HBVRKXGIOHIAHR-CQSZACIVSA-N 1 2 367.449 3.205 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)CCCCC1 ZINC000528571827 504277629 /nfs/dbraw/zinc/27/76/29/504277629.db2.gz ABYLHFGWTXMKQG-UHFFFAOYSA-N 1 2 359.445 3.012 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573833 504278901 /nfs/dbraw/zinc/27/89/01/504278901.db2.gz HAOSPVAUPXPVTC-UHFFFAOYSA-N 1 2 359.426 3.241 20 30 FGEDLO COCCc1noc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000528625930 504301089 /nfs/dbraw/zinc/30/10/89/504301089.db2.gz HHNRQMOUMQKQEW-UHFFFAOYSA-N 1 2 374.872 3.238 20 30 FGEDLO COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1OCc1cccc(C#N)c1 ZINC000539149782 504488905 /nfs/dbraw/zinc/48/89/05/504488905.db2.gz UVDMJBQLRQUXTG-UHFFFAOYSA-N 1 2 374.444 3.427 20 30 FGEDLO COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1OCc1cccc(C#N)c1 ZINC000539149782 504488907 /nfs/dbraw/zinc/48/89/07/504488907.db2.gz UVDMJBQLRQUXTG-UHFFFAOYSA-N 1 2 374.444 3.427 20 30 FGEDLO COCc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1C#N ZINC000529205948 504582644 /nfs/dbraw/zinc/58/26/44/504582644.db2.gz KSTRHHNTZPJANE-INIZCTEOSA-N 1 2 353.426 3.053 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)OCC ZINC000535943134 504589410 /nfs/dbraw/zinc/58/94/10/504589410.db2.gz OKHLGEDGGPQRBF-GOSISDBHSA-N 1 2 350.890 3.356 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000542925508 504660644 /nfs/dbraw/zinc/66/06/44/504660644.db2.gz XJPODXVNYWYKBU-UHFFFAOYSA-N 1 2 357.255 3.351 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)n1 ZINC000521319979 504708106 /nfs/dbraw/zinc/70/81/06/504708106.db2.gz WTYUVTJUEYABML-UHFFFAOYSA-N 1 2 361.474 3.262 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cc[nH]n2)cc1OC ZINC000539832455 504709419 /nfs/dbraw/zinc/70/94/19/504709419.db2.gz RSNWVRCSRCVSNV-UHFFFAOYSA-N 1 2 366.259 3.378 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC ZINC000539832455 504709423 /nfs/dbraw/zinc/70/94/23/504709423.db2.gz RSNWVRCSRCVSNV-UHFFFAOYSA-N 1 2 366.259 3.378 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529537773 504721535 /nfs/dbraw/zinc/72/15/35/504721535.db2.gz VFVFGUAEQXQVJN-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529537773 504721542 /nfs/dbraw/zinc/72/15/42/504721542.db2.gz VFVFGUAEQXQVJN-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000529577162 504734249 /nfs/dbraw/zinc/73/42/49/504734249.db2.gz JPQCUGXESSRZBX-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cc1nc(C(C)C)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549403337 504812182 /nfs/dbraw/zinc/81/21/82/504812182.db2.gz IUMUWTCLLBPCNT-UHFFFAOYSA-N 1 2 362.477 3.343 20 30 FGEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCC1 ZINC000562701085 504913969 /nfs/dbraw/zinc/91/39/69/504913969.db2.gz NQOJCKMSZZSPSI-UHFFFAOYSA-N 1 2 357.454 3.131 20 30 FGEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc2c(s1)CCC2 ZINC000562706232 504915944 /nfs/dbraw/zinc/91/59/44/504915944.db2.gz IMKDOWQOFXNRQI-GWCFXTLKSA-N 1 2 358.492 3.021 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000560038473 504975752 /nfs/dbraw/zinc/97/57/52/504975752.db2.gz ZKEDDCFTKKWFFL-MRXNPFEDSA-N 1 2 369.490 3.018 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1c(F)cccc1C#N ZINC000556872327 505001303 /nfs/dbraw/zinc/00/13/03/505001303.db2.gz HVTVLWMUILIOEY-UHFFFAOYSA-N 1 2 362.408 3.143 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560337740 505049677 /nfs/dbraw/zinc/04/96/77/505049677.db2.gz LASBKUYDULGEKX-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560337740 505049680 /nfs/dbraw/zinc/04/96/80/505049680.db2.gz LASBKUYDULGEKX-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cscc2Br)CC1 ZINC000566045969 505064273 /nfs/dbraw/zinc/06/42/73/505064273.db2.gz ULTVJZSCAMTYOX-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CCC(CC)c1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000566063549 505070066 /nfs/dbraw/zinc/07/00/66/505070066.db2.gz AZXWHPCSCSFUNO-UHFFFAOYSA-N 1 2 361.467 3.013 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000563261796 505090158 /nfs/dbraw/zinc/09/01/58/505090158.db2.gz LPEMFGFZKVLHKA-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000563261796 505090162 /nfs/dbraw/zinc/09/01/62/505090162.db2.gz LPEMFGFZKVLHKA-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000561841912 505448404 /nfs/dbraw/zinc/44/84/04/505448404.db2.gz PSYUJRBFTBCIIW-UHFFFAOYSA-N 1 2 354.429 3.040 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558865963 505514538 /nfs/dbraw/zinc/51/45/38/505514538.db2.gz OCANOUMIQALCBF-OXQOHEQNSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558865963 505514543 /nfs/dbraw/zinc/51/45/43/505514543.db2.gz OCANOUMIQALCBF-OXQOHEQNSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC3CC3)CC2)cc1 ZINC000562166196 505530443 /nfs/dbraw/zinc/53/04/43/505530443.db2.gz BEMJQBFAPOAMAI-UHFFFAOYSA-N 1 2 361.445 3.057 20 30 FGEDLO COc1ccccc1Oc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000564864439 505543208 /nfs/dbraw/zinc/54/32/08/505543208.db2.gz UAFCVZLNUCZYAZ-INIZCTEOSA-N 1 2 373.428 3.245 20 30 FGEDLO COc1ccccc1Oc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000564864439 505543211 /nfs/dbraw/zinc/54/32/11/505543211.db2.gz UAFCVZLNUCZYAZ-INIZCTEOSA-N 1 2 373.428 3.245 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564916745 505557346 /nfs/dbraw/zinc/55/73/46/505557346.db2.gz RBRCWZNPFHSWMH-HNNXBMFYSA-N 1 2 353.285 3.029 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564916745 505557348 /nfs/dbraw/zinc/55/73/48/505557348.db2.gz RBRCWZNPFHSWMH-HNNXBMFYSA-N 1 2 353.285 3.029 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000593107162 506396380 /nfs/dbraw/zinc/39/63/80/506396380.db2.gz UFUYMEAKMXZFDU-NZSAHSFTSA-N 1 2 358.482 3.324 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000596428853 506401014 /nfs/dbraw/zinc/40/10/14/506401014.db2.gz UNWIQLSKTTTYOR-AEFFLSMTSA-N 1 2 351.454 3.039 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119991 506405232 /nfs/dbraw/zinc/40/52/32/506405232.db2.gz LTSPKTICBCWREM-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119991 506405236 /nfs/dbraw/zinc/40/52/36/506405236.db2.gz LTSPKTICBCWREM-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)Nc1ccc(N3CCCC3=O)cc1)C2 ZINC000593121457 506406441 /nfs/dbraw/zinc/40/64/41/506406441.db2.gz BKTZLFXMFMEMHA-UHFFFAOYSA-N 1 2 374.444 3.029 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)Nc1ccc(N3CCCC3=O)cc1)C2 ZINC000593121457 506406445 /nfs/dbraw/zinc/40/64/45/506406445.db2.gz BKTZLFXMFMEMHA-UHFFFAOYSA-N 1 2 374.444 3.029 20 30 FGEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000593127749 506410371 /nfs/dbraw/zinc/41/03/71/506410371.db2.gz VQIQOJDMTNCOGM-HXUWFJFHSA-N 1 2 367.399 3.343 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000593127749 506410378 /nfs/dbraw/zinc/41/03/78/506410378.db2.gz VQIQOJDMTNCOGM-HXUWFJFHSA-N 1 2 367.399 3.343 20 30 FGEDLO N#Cc1cccc2c1C[N@H+]([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000593127748 506411196 /nfs/dbraw/zinc/41/11/96/506411196.db2.gz VQIQOJDMTNCOGM-FQEVSTJZSA-N 1 2 367.399 3.343 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+]([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000593127748 506411203 /nfs/dbraw/zinc/41/12/03/506411203.db2.gz VQIQOJDMTNCOGM-FQEVSTJZSA-N 1 2 367.399 3.343 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612159691 506465528 /nfs/dbraw/zinc/46/55/28/506465528.db2.gz XYJYAHUJBJPNPU-PZJWPPBQSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612159691 506465537 /nfs/dbraw/zinc/46/55/37/506465537.db2.gz XYJYAHUJBJPNPU-PZJWPPBQSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612159688 506465761 /nfs/dbraw/zinc/46/57/61/506465761.db2.gz XYJYAHUJBJPNPU-CTNGQTDRSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612159688 506465765 /nfs/dbraw/zinc/46/57/65/506465765.db2.gz XYJYAHUJBJPNPU-CTNGQTDRSA-N 1 2 355.482 3.374 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000582941294 506500111 /nfs/dbraw/zinc/50/01/11/506500111.db2.gz PYXMTKZKJYLYKP-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CSc1cccnc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593275676 506506931 /nfs/dbraw/zinc/50/69/31/506506931.db2.gz ISICEZDTSFSFEH-UHFFFAOYSA-N 1 2 367.478 3.025 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)n1 ZINC000589310322 506513662 /nfs/dbraw/zinc/51/36/62/506513662.db2.gz BLQKLPUVHSTLII-LBPRGKRZSA-N 1 2 350.241 3.391 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000612357891 506543434 /nfs/dbraw/zinc/54/34/34/506543434.db2.gz TYLGAPFIZKTHDJ-QFBILLFUSA-N 1 2 371.872 3.498 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496685 506567979 /nfs/dbraw/zinc/56/79/79/506567979.db2.gz DGAXOBGULANHEX-UHFFFAOYSA-N 1 2 365.389 3.441 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496685 506567984 /nfs/dbraw/zinc/56/79/84/506567984.db2.gz DGAXOBGULANHEX-UHFFFAOYSA-N 1 2 365.389 3.441 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCCCn3cc[nH+]c3)cn2)c1 ZINC000603691293 506596076 /nfs/dbraw/zinc/59/60/76/506596076.db2.gz NOCIFYJKVKYURD-UHFFFAOYSA-N 1 2 362.393 3.154 20 30 FGEDLO COc1cccc(OC)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000589820486 506653665 /nfs/dbraw/zinc/65/36/65/506653665.db2.gz SJUFHBVGOHJHBV-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000608856813 506727567 /nfs/dbraw/zinc/72/75/67/506727567.db2.gz CADFYORCGFDBJC-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000608857590 506728347 /nfs/dbraw/zinc/72/83/47/506728347.db2.gz ZYZBIVWYNJGMFY-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000590120615 506742347 /nfs/dbraw/zinc/74/23/47/506742347.db2.gz HBJXWNXSCYMRMR-HXUWFJFHSA-N 1 2 360.461 3.088 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000590120615 506742352 /nfs/dbraw/zinc/74/23/52/506742352.db2.gz HBJXWNXSCYMRMR-HXUWFJFHSA-N 1 2 360.461 3.088 20 30 FGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)cc1F ZINC000608993469 506759641 /nfs/dbraw/zinc/75/96/41/506759641.db2.gz XATBBIRZDOYZBQ-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)cc1F ZINC000608993469 506759648 /nfs/dbraw/zinc/75/96/48/506759648.db2.gz XATBBIRZDOYZBQ-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000597114954 506783571 /nfs/dbraw/zinc/78/35/71/506783571.db2.gz FCXLCUGWSZEPOS-UHFFFAOYSA-N 1 2 355.873 3.145 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 ZINC000609161909 506799575 /nfs/dbraw/zinc/79/95/75/506799575.db2.gz RHLKNILKCRJTSE-FQEVSTJZSA-N 1 2 369.428 3.418 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(C4CC4)s3)CC2)cc1 ZINC000609161572 506799583 /nfs/dbraw/zinc/79/95/83/506799583.db2.gz QEYAZFBNEFSHHB-UHFFFAOYSA-N 1 2 366.490 3.240 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(C4CC4)s3)CC2)cc1 ZINC000609161572 506799585 /nfs/dbraw/zinc/79/95/85/506799585.db2.gz QEYAZFBNEFSHHB-UHFFFAOYSA-N 1 2 366.490 3.240 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)CNc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000609182831 506806023 /nfs/dbraw/zinc/80/60/23/506806023.db2.gz HHMMPISQPCSBKL-INIZCTEOSA-N 1 2 364.449 3.002 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)cc1OCCCC#N ZINC000597253521 506862570 /nfs/dbraw/zinc/86/25/70/506862570.db2.gz ZSWWDLMCTTUGDG-SFHVURJKSA-N 1 2 354.397 3.234 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1OCCCC#N ZINC000597253521 506862578 /nfs/dbraw/zinc/86/25/78/506862578.db2.gz ZSWWDLMCTTUGDG-SFHVURJKSA-N 1 2 354.397 3.234 20 30 FGEDLO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485668 506896011 /nfs/dbraw/zinc/89/60/11/506896011.db2.gz UYHCNBLFQBEXFS-GOSISDBHSA-N 1 2 369.465 3.275 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609556428 506920683 /nfs/dbraw/zinc/92/06/83/506920683.db2.gz IQSVNUYGENVNDK-ZDUSSCGKSA-N 1 2 361.352 3.225 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)NCCNc3cccc[nH+]3)c2)cc1 ZINC000609680264 506972049 /nfs/dbraw/zinc/97/20/49/506972049.db2.gz VXICMHWEHSGVNS-UHFFFAOYSA-N 1 2 372.428 3.374 20 30 FGEDLO Cc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC000609704019 506978691 /nfs/dbraw/zinc/97/86/91/506978691.db2.gz WPQLXCBTAKHJFP-UHFFFAOYSA-N 1 2 370.460 3.409 20 30 FGEDLO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CC#N)C2=O)ccc1Br ZINC000613261893 506997919 /nfs/dbraw/zinc/99/79/19/506997919.db2.gz RGFWVHIJWIYJOG-SWLSCSKDSA-N 1 2 350.260 3.145 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)c4ccccc4n3)c[nH+]2)C[C@H](C)O1 ZINC000609891737 507039920 /nfs/dbraw/zinc/03/99/20/507039920.db2.gz IILKETXHCQVSIA-HOTGVXAUSA-N 1 2 373.460 3.149 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594346143 507087893 /nfs/dbraw/zinc/08/78/93/507087893.db2.gz AZDVPDVYDGYGBC-KRWDZBQOSA-N 1 2 352.482 3.435 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000594347482 507088415 /nfs/dbraw/zinc/08/84/15/507088415.db2.gz BSKSGNIWMOECSZ-GJZGRUSLSA-N 1 2 362.355 3.131 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000610244937 507157923 /nfs/dbraw/zinc/15/79/23/507157923.db2.gz IGBWNTITCZYJNF-UHFFFAOYSA-N 1 2 351.360 3.106 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000610245853 507158031 /nfs/dbraw/zinc/15/80/31/507158031.db2.gz NQTQMTDWPWVZJY-UHFFFAOYSA-N 1 2 365.387 3.414 20 30 FGEDLO C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610347254 507203961 /nfs/dbraw/zinc/20/39/61/507203961.db2.gz GRQHXFWYAQUZIT-BEFAXECRSA-N 1 2 359.433 3.442 20 30 FGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C2 ZINC000594612053 507211622 /nfs/dbraw/zinc/21/16/22/507211622.db2.gz KEOMLHUUNRWJCS-UHFFFAOYSA-N 1 2 361.445 3.075 20 30 FGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C2 ZINC000594612053 507211628 /nfs/dbraw/zinc/21/16/28/507211628.db2.gz KEOMLHUUNRWJCS-UHFFFAOYSA-N 1 2 361.445 3.075 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccccc3CC#N)CC2)c1 ZINC000601038797 507238266 /nfs/dbraw/zinc/23/82/66/507238266.db2.gz WELCRKVWNVZKFB-KRWDZBQOSA-N 1 2 363.461 3.280 20 30 FGEDLO N#CC1(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CCCCC1 ZINC000594717626 507251199 /nfs/dbraw/zinc/25/11/99/507251199.db2.gz NKLQKEJKFFPTLI-HNNXBMFYSA-N 1 2 353.388 3.165 20 30 FGEDLO CCOC(=O)CCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000601155971 507280530 /nfs/dbraw/zinc/28/05/30/507280530.db2.gz JESFVGMONLOFGQ-GOSISDBHSA-N 1 2 350.422 3.252 20 30 FGEDLO CN(C)c1ccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c[nH+]1 ZINC000601184482 507290778 /nfs/dbraw/zinc/29/07/78/507290778.db2.gz DYEZQCJJGNONNY-UHFFFAOYSA-N 1 2 371.444 3.264 20 30 FGEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCSCC3)c2)c2sccc21 ZINC000601240489 507307066 /nfs/dbraw/zinc/30/70/66/507307066.db2.gz JDIAQPOLOIASJG-UHFFFAOYSA-N 1 2 367.503 3.150 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cn21 ZINC000592019045 507454022 /nfs/dbraw/zinc/45/40/22/507454022.db2.gz NGBMDQWXXFKMGW-LJQANCHMSA-N 1 2 359.433 3.044 20 30 FGEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000595307190 507456360 /nfs/dbraw/zinc/45/63/60/507456360.db2.gz IQXKMIJDAZHUMA-UHFFFAOYSA-N 1 2 371.843 3.351 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991774 507471010 /nfs/dbraw/zinc/47/10/10/507471010.db2.gz PIIZQMQNJMLEQA-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991774 507471017 /nfs/dbraw/zinc/47/10/17/507471017.db2.gz PIIZQMQNJMLEQA-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595383249 507478407 /nfs/dbraw/zinc/47/84/07/507478407.db2.gz FAUPSDQLIFLNLW-GOSISDBHSA-N 1 2 362.351 3.364 20 30 FGEDLO COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595383249 507478412 /nfs/dbraw/zinc/47/84/12/507478412.db2.gz FAUPSDQLIFLNLW-GOSISDBHSA-N 1 2 362.351 3.364 20 30 FGEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cc2c(cc1Br)OCCO2 ZINC000592091640 507480051 /nfs/dbraw/zinc/48/00/51/507480051.db2.gz ABFQENOVVADVEG-NSHDSACASA-N 1 2 374.238 3.338 20 30 FGEDLO N#CC1(NC(=O)[C@@H]2CCCCCC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000584755817 507485524 /nfs/dbraw/zinc/48/55/24/507485524.db2.gz JXRNWMKNGZCYPP-LJQANCHMSA-N 1 2 367.493 3.200 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000595424536 507491531 /nfs/dbraw/zinc/49/15/31/507491531.db2.gz FQJMRELFUWLDQA-SFHVURJKSA-N 1 2 373.378 3.293 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000595424536 507491533 /nfs/dbraw/zinc/49/15/33/507491533.db2.gz FQJMRELFUWLDQA-SFHVURJKSA-N 1 2 373.378 3.293 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592193316 507535037 /nfs/dbraw/zinc/53/50/37/507535037.db2.gz LWWPFINLNUZJMU-QZTJIDSGSA-N 1 2 355.482 3.355 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592193316 507535042 /nfs/dbraw/zinc/53/50/42/507535042.db2.gz LWWPFINLNUZJMU-QZTJIDSGSA-N 1 2 355.482 3.355 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571358 507567439 /nfs/dbraw/zinc/56/74/39/507567439.db2.gz ZHGLUOIOSCKUSR-JZXOWHBKSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571358 507567450 /nfs/dbraw/zinc/56/74/50/507567450.db2.gz ZHGLUOIOSCKUSR-JZXOWHBKSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000602078480 507582643 /nfs/dbraw/zinc/58/26/43/507582643.db2.gz JESJGMTVCBIOMW-AWEZNQCLSA-N 1 2 373.507 3.125 20 30 FGEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000602078480 507582650 /nfs/dbraw/zinc/58/26/50/507582650.db2.gz JESJGMTVCBIOMW-AWEZNQCLSA-N 1 2 373.507 3.125 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602090188 507586841 /nfs/dbraw/zinc/58/68/41/507586841.db2.gz LUETZCABNUQIBF-ZDUSSCGKSA-N 1 2 367.331 3.093 20 30 FGEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611260033 507588569 /nfs/dbraw/zinc/58/85/69/507588569.db2.gz ILSHDDJVNXTKTG-BBRMVZONSA-N 1 2 352.438 3.462 20 30 FGEDLO N#C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000602097931 507590985 /nfs/dbraw/zinc/59/09/85/507590985.db2.gz QPAMQWMZNHVDFR-QWHCGFSZSA-N 1 2 356.735 3.411 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615746 507593886 /nfs/dbraw/zinc/59/38/86/507593886.db2.gz SKCBHMWNAZZJDW-UONOGXRCSA-N 1 2 363.483 3.186 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615746 507593894 /nfs/dbraw/zinc/59/38/94/507593894.db2.gz SKCBHMWNAZZJDW-UONOGXRCSA-N 1 2 363.483 3.186 20 30 FGEDLO N#Cc1sccc1N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000595632808 507603795 /nfs/dbraw/zinc/60/37/95/507603795.db2.gz QWZWVLMHWMHHQB-UHFFFAOYSA-N 1 2 363.490 3.187 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)c1ccccc1 ZINC000595634497 507606078 /nfs/dbraw/zinc/60/60/78/507606078.db2.gz XPMPTMYZGBZMQE-UHFFFAOYSA-N 1 2 368.506 3.183 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611356765 507640165 /nfs/dbraw/zinc/64/01/65/507640165.db2.gz MJADWLUXJDJMOW-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611356765 507640172 /nfs/dbraw/zinc/64/01/72/507640172.db2.gz MJADWLUXJDJMOW-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611388916 507657609 /nfs/dbraw/zinc/65/76/09/507657609.db2.gz UNMRYOZMTQTYDY-GFCCVEGCSA-N 1 2 372.354 3.404 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595760815 507671205 /nfs/dbraw/zinc/67/12/05/507671205.db2.gz UAOLMWHEAQIBBH-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595760815 507671214 /nfs/dbraw/zinc/67/12/14/507671214.db2.gz UAOLMWHEAQIBBH-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000586792808 507674102 /nfs/dbraw/zinc/67/41/02/507674102.db2.gz UQLLVOKNWQOVIM-UHFFFAOYSA-N 1 2 352.344 3.335 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccon2)CC1 ZINC000595829518 507704664 /nfs/dbraw/zinc/70/46/64/507704664.db2.gz VSCDPCQBLYNONY-GFCCVEGCSA-N 1 2 370.478 3.303 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000611553601 507735335 /nfs/dbraw/zinc/73/53/35/507735335.db2.gz YVNDJRRKVXMBII-UHFFFAOYSA-N 1 2 355.482 3.250 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1C#N ZINC000611553333 507735686 /nfs/dbraw/zinc/73/56/86/507735686.db2.gz WYMIYXNMURINNK-HXUWFJFHSA-N 1 2 364.424 3.088 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000611560555 507738924 /nfs/dbraw/zinc/73/89/24/507738924.db2.gz JWBBJTRZXAFNRI-GOSISDBHSA-N 1 2 365.368 3.218 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@@H](C)O1 ZINC000611566445 507742511 /nfs/dbraw/zinc/74/25/11/507742511.db2.gz KWISTKXMVAXFJP-YFHUEUNASA-N 1 2 356.470 3.110 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000330323260 568242482 /nfs/dbraw/zinc/24/24/82/568242482.db2.gz HLRQJKRYPIEEJM-JLNYLFASSA-N 1 2 374.407 3.265 20 30 FGEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccccc2)ccc1Br ZINC000020887326 695642535 /nfs/dbraw/zinc/64/25/35/695642535.db2.gz WWCQMNJLSSGTRF-UHFFFAOYSA-N 1 2 362.227 3.033 20 30 FGEDLO C=CCCC[N@@H+](C)Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S ZINC000076664974 700237517 /nfs/dbraw/zinc/23/75/17/700237517.db2.gz AGOHKOOYNQSQRN-MRXNPFEDSA-N 1 2 360.483 3.319 20 30 FGEDLO C=CCCC[N@H+](C)Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S ZINC000076664974 700237522 /nfs/dbraw/zinc/23/75/22/700237522.db2.gz AGOHKOOYNQSQRN-MRXNPFEDSA-N 1 2 360.483 3.319 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186284246 712714270 /nfs/dbraw/zinc/71/42/70/712714270.db2.gz SIVSMNIZRZLDKE-CYBMUJFWSA-N 1 2 373.316 3.128 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186284246 712714273 /nfs/dbraw/zinc/71/42/73/712714273.db2.gz SIVSMNIZRZLDKE-CYBMUJFWSA-N 1 2 373.316 3.128 20 30 FGEDLO C#CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247208750 713637149 /nfs/dbraw/zinc/63/71/49/713637149.db2.gz YTQWPSUHFQWDRQ-DLBZAZTESA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247208750 713637150 /nfs/dbraw/zinc/63/71/50/713637150.db2.gz YTQWPSUHFQWDRQ-DLBZAZTESA-N 1 2 351.853 3.327 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373863579 713878333 /nfs/dbraw/zinc/87/83/33/713878333.db2.gz SEBRJPHRWJJDFZ-SJORKVTESA-N 1 2 361.804 3.427 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373863579 713878335 /nfs/dbraw/zinc/87/83/35/713878335.db2.gz SEBRJPHRWJJDFZ-SJORKVTESA-N 1 2 361.804 3.427 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1O ZINC000615468590 714530022 /nfs/dbraw/zinc/53/00/22/714530022.db2.gz DNHFMYOCFXHTEF-UHFFFAOYSA-N 1 2 356.451 3.349 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2nc(Br)ccc2F)s1 ZINC000794715894 723542433 /nfs/dbraw/zinc/54/24/33/723542433.db2.gz YMENUAKGGCWRNT-XQRVVYSFSA-N 1 2 370.247 3.397 20 30 FGEDLO C=CCCn1cc(CNC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1 ZINC000657310530 719623520 /nfs/dbraw/zinc/62/35/20/719623520.db2.gz ZWLGEPCGAGTDCP-LJQANCHMSA-N 1 2 359.905 3.434 20 30 FGEDLO C=CCn1c(C)nn(CN2CCC(CCCn3cc[nH+]c3)CC2)c1=S ZINC000782942754 724710442 /nfs/dbraw/zinc/71/04/42/724710442.db2.gz ISPSOGCEPHQCCA-UHFFFAOYSA-N 1 2 360.531 3.255 20 30 FGEDLO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000782948994 724711316 /nfs/dbraw/zinc/71/13/16/724711316.db2.gz ONBPTQXWUGXOJK-UHFFFAOYSA-N 1 2 371.238 3.472 20 30 FGEDLO COc1cccc(OCCO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949407 724711665 /nfs/dbraw/zinc/71/16/65/724711665.db2.gz URTKZJKKSQSPFF-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679871968 722051609 /nfs/dbraw/zinc/05/16/09/722051609.db2.gz DESFTAAJQPUXDY-WBVHZDCISA-N 1 2 355.404 3.457 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679871968 722051612 /nfs/dbraw/zinc/05/16/12/722051612.db2.gz DESFTAAJQPUXDY-WBVHZDCISA-N 1 2 355.404 3.457 20 30 FGEDLO C=C(Br)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729576937 722460737 /nfs/dbraw/zinc/46/07/37/722460737.db2.gz XLJAFNMOMOJEOI-CYBMUJFWSA-N 1 2 368.275 3.110 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000730106654 722465288 /nfs/dbraw/zinc/46/52/88/722465288.db2.gz NIKGTEKQZCJLHA-INIZCTEOSA-N 1 2 353.447 3.037 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000730106654 722465289 /nfs/dbraw/zinc/46/52/89/722465289.db2.gz NIKGTEKQZCJLHA-INIZCTEOSA-N 1 2 353.447 3.037 20 30 FGEDLO CC(C)(C)C[N@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000732201530 722482274 /nfs/dbraw/zinc/48/22/74/722482274.db2.gz FIHLMROOADZTPL-AWEZNQCLSA-N 1 2 359.495 3.203 20 30 FGEDLO CC(C)(C)C[N@@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000732201530 722482275 /nfs/dbraw/zinc/48/22/75/722482275.db2.gz FIHLMROOADZTPL-AWEZNQCLSA-N 1 2 359.495 3.203 20 30 FGEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741244343 722543752 /nfs/dbraw/zinc/54/37/52/722543752.db2.gz UZXGZSXVMQNJEF-DOMZBBRYSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741244343 722543753 /nfs/dbraw/zinc/54/37/53/722543753.db2.gz UZXGZSXVMQNJEF-DOMZBBRYSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000751525375 722811677 /nfs/dbraw/zinc/81/16/77/722811677.db2.gz CTUCFPGMDVYSQG-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000751525375 722811679 /nfs/dbraw/zinc/81/16/79/722811679.db2.gz CTUCFPGMDVYSQG-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)nc1C ZINC000755021854 722949432 /nfs/dbraw/zinc/94/94/32/722949432.db2.gz JEZUOEBYLZVJIG-GFCCVEGCSA-N 1 2 359.451 3.359 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408562 723136189 /nfs/dbraw/zinc/13/61/89/723136189.db2.gz ZYBGULCJODXZKW-QWQRMKEZSA-N 1 2 350.846 3.011 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408562 723136191 /nfs/dbraw/zinc/13/61/91/723136191.db2.gz ZYBGULCJODXZKW-QWQRMKEZSA-N 1 2 350.846 3.011 20 30 FGEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000792298011 723326911 /nfs/dbraw/zinc/32/69/11/723326911.db2.gz BVDCOOZEPJLCQQ-UHFFFAOYSA-N 1 2 353.388 3.199 20 30 FGEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000792298011 723326915 /nfs/dbraw/zinc/32/69/15/723326915.db2.gz BVDCOOZEPJLCQQ-UHFFFAOYSA-N 1 2 353.388 3.199 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000765316819 723505279 /nfs/dbraw/zinc/50/52/79/723505279.db2.gz WLSRDUJVPHUPEB-MRXNPFEDSA-N 1 2 353.491 3.262 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S ZINC000794638764 723537231 /nfs/dbraw/zinc/53/72/31/723537231.db2.gz GQZXKDYDWIFCQR-CQSZACIVSA-N 1 2 359.474 3.383 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1=S ZINC000794638764 723537233 /nfs/dbraw/zinc/53/72/33/723537233.db2.gz GQZXKDYDWIFCQR-CQSZACIVSA-N 1 2 359.474 3.383 20 30 FGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000769963500 723701983 /nfs/dbraw/zinc/70/19/83/723701983.db2.gz UYAAAXRVESTALG-SECBINFHSA-N 1 2 363.177 3.360 20 30 FGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000769963500 723701985 /nfs/dbraw/zinc/70/19/85/723701985.db2.gz UYAAAXRVESTALG-SECBINFHSA-N 1 2 363.177 3.360 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)O2 ZINC000797527830 723830699 /nfs/dbraw/zinc/83/06/99/723830699.db2.gz LUWXYDULHYWGBT-ZRGWGRIASA-N 1 2 364.873 3.401 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)O2 ZINC000797527830 723830701 /nfs/dbraw/zinc/83/07/01/723830701.db2.gz LUWXYDULHYWGBT-ZRGWGRIASA-N 1 2 364.873 3.401 20 30 FGEDLO CCOCCO[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000774430307 723892212 /nfs/dbraw/zinc/89/22/12/723892212.db2.gz BBWQXDWUJGMQKJ-UHFFFAOYSA-N 1 2 366.053 3.181 20 30 FGEDLO C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2Br)CC1 ZINC000799725706 724088245 /nfs/dbraw/zinc/08/82/45/724088245.db2.gz JUAAQDJFVQNKQW-UONOGXRCSA-N 1 2 363.303 3.305 20 30 FGEDLO C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2Br)CC1 ZINC000799725707 724088535 /nfs/dbraw/zinc/08/85/35/724088535.db2.gz JUAAQDJFVQNKQW-ZIAGYGMSSA-N 1 2 363.303 3.305 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1=S ZINC000800866633 724240022 /nfs/dbraw/zinc/24/00/22/724240022.db2.gz QBIVZMSAMMXJIY-BJWYYQGGSA-N 1 2 353.495 3.385 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1=S ZINC000800866633 724240023 /nfs/dbraw/zinc/24/00/23/724240023.db2.gz QBIVZMSAMMXJIY-BJWYYQGGSA-N 1 2 353.495 3.385 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](OC)c2ccc(Cl)cc2)n1 ZINC000801550953 724312589 /nfs/dbraw/zinc/31/25/89/724312589.db2.gz ISAVEMFSTXSFSF-LJQANCHMSA-N 1 2 361.873 3.006 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](OC)c2ccc(Cl)cc2)n1 ZINC000801550953 724312593 /nfs/dbraw/zinc/31/25/93/724312593.db2.gz ISAVEMFSTXSFSF-LJQANCHMSA-N 1 2 361.873 3.006 20 30 FGEDLO COc1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1Cl ZINC000788471985 725066255 /nfs/dbraw/zinc/06/62/55/725066255.db2.gz MUSOGBUWIUQHGH-UHFFFAOYSA-N 1 2 352.847 3.088 20 30 FGEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000809575438 725248929 /nfs/dbraw/zinc/24/89/29/725248929.db2.gz DDAYHOGSRGESLH-DOMZBBRYSA-N 1 2 356.253 3.061 20 30 FGEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000809575438 725248931 /nfs/dbraw/zinc/24/89/31/725248931.db2.gz DDAYHOGSRGESLH-DOMZBBRYSA-N 1 2 356.253 3.061 20 30 FGEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000811802368 725380667 /nfs/dbraw/zinc/38/06/67/725380667.db2.gz XHSBAPBIZSCKLX-QGZVFWFLSA-N 1 2 352.829 3.176 20 30 FGEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000811802368 725380668 /nfs/dbraw/zinc/38/06/68/725380668.db2.gz XHSBAPBIZSCKLX-QGZVFWFLSA-N 1 2 352.829 3.176 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000811958479 725385938 /nfs/dbraw/zinc/38/59/38/725385938.db2.gz CBPBWJZGEPQLBY-NVXWUHKLSA-N 1 2 356.857 3.337 20 30 FGEDLO C=CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000830138923 729539007 /nfs/dbraw/zinc/53/90/07/729539007.db2.gz JSYVGHMAOTUDLD-UHFFFAOYSA-N 1 2 366.303 3.352 20 30 FGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000840728727 730166806 /nfs/dbraw/zinc/16/68/06/730166806.db2.gz KVBZFQFKBCGERR-OCCSQVGLSA-N 1 2 359.451 3.461 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000842630152 730522165 /nfs/dbraw/zinc/52/21/65/730522165.db2.gz YLVXHPVNAGFUIZ-INIZCTEOSA-N 1 2 356.495 3.223 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000842630152 730522166 /nfs/dbraw/zinc/52/21/66/730522166.db2.gz YLVXHPVNAGFUIZ-INIZCTEOSA-N 1 2 356.495 3.223 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000847030471 731009292 /nfs/dbraw/zinc/00/92/92/731009292.db2.gz NLEBDNOSLPLFGH-CQSZACIVSA-N 1 2 357.454 3.157 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000847030471 731009295 /nfs/dbraw/zinc/00/92/95/731009295.db2.gz NLEBDNOSLPLFGH-CQSZACIVSA-N 1 2 357.454 3.157 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000852751867 731629932 /nfs/dbraw/zinc/62/99/32/731629932.db2.gz IYLYEHGEVMKBST-UHFFFAOYSA-N 1 2 357.435 3.129 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000852751867 731629934 /nfs/dbraw/zinc/62/99/34/731629934.db2.gz IYLYEHGEVMKBST-UHFFFAOYSA-N 1 2 357.435 3.129 20 30 FGEDLO N#Cc1ncc(Br)cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000853131828 731669151 /nfs/dbraw/zinc/66/91/51/731669151.db2.gz UZJLJNOVMYZXDH-UHFFFAOYSA-N 1 2 358.243 3.323 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1OC ZINC000862383656 732820852 /nfs/dbraw/zinc/82/08/52/732820852.db2.gz XDTCKLNJWPJNNG-AWEZNQCLSA-N 1 2 368.861 3.186 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1OC ZINC000862383656 732820856 /nfs/dbraw/zinc/82/08/56/732820856.db2.gz XDTCKLNJWPJNNG-AWEZNQCLSA-N 1 2 368.861 3.186 20 30 FGEDLO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866309452 733335366 /nfs/dbraw/zinc/33/53/66/733335366.db2.gz GPANVSIGNDSMIU-HOCLYGCPSA-N 1 2 358.463 3.167 20 30 FGEDLO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(C#N)c1O ZINC000866351015 733338607 /nfs/dbraw/zinc/33/86/07/733338607.db2.gz FJIZCTPQXACQJZ-GFCCVEGCSA-N 1 2 363.259 3.354 20 30 FGEDLO C#CCC1(O)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000882968506 737507450 /nfs/dbraw/zinc/50/74/50/737507450.db2.gz PVHFKEGQTMFHIH-UHFFFAOYSA-N 1 2 363.230 3.491 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000886777059 739297333 /nfs/dbraw/zinc/29/73/33/739297333.db2.gz XJDSLIXYJWQHKV-UHFFFAOYSA-N 1 2 350.260 3.228 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000886777059 739297336 /nfs/dbraw/zinc/29/73/36/739297336.db2.gz XJDSLIXYJWQHKV-UHFFFAOYSA-N 1 2 350.260 3.228 20 30 FGEDLO C[N@H+](Cc1sc(N2CCOCC2)nc1Cl)Cc1ccc(C#N)cc1 ZINC000893930737 742214990 /nfs/dbraw/zinc/21/49/90/742214990.db2.gz GOSKPOQVAGUNEZ-UHFFFAOYSA-N 1 2 362.886 3.137 20 30 FGEDLO C[N@@H+](Cc1sc(N2CCOCC2)nc1Cl)Cc1ccc(C#N)cc1 ZINC000893930737 742214993 /nfs/dbraw/zinc/21/49/93/742214993.db2.gz GOSKPOQVAGUNEZ-UHFFFAOYSA-N 1 2 362.886 3.137 20 30 FGEDLO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2cccc(C#N)c2O)n1 ZINC000926245901 759686433 /nfs/dbraw/zinc/68/64/33/759686433.db2.gz BTOYSNPPXNJLTQ-AWEZNQCLSA-N 1 2 359.451 3.180 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C#N)CCSCC3)n2)C1 ZINC000930472345 760620460 /nfs/dbraw/zinc/62/04/60/760620460.db2.gz CJLPQIJWWGQCJB-CYBMUJFWSA-N 1 2 364.540 3.350 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C#N)CCSCC3)n2)C1 ZINC000930472345 760620463 /nfs/dbraw/zinc/62/04/63/760620463.db2.gz CJLPQIJWWGQCJB-CYBMUJFWSA-N 1 2 364.540 3.350 20 30 FGEDLO Cn1ccc(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)n1 ZINC000932142505 761067750 /nfs/dbraw/zinc/06/77/50/761067750.db2.gz RGKLGOHCWFFADS-UHFFFAOYSA-N 1 2 359.271 3.434 20 30 FGEDLO Cc1c[nH]nc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939448 761278753 /nfs/dbraw/zinc/27/87/53/761278753.db2.gz GNZSJKYUQWTRPF-YUMQZZPRSA-N 1 2 363.252 3.321 20 30 FGEDLO Cn1cncc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940881 761279893 /nfs/dbraw/zinc/27/98/93/761279893.db2.gz IXAHBKUVYKOCBE-IUCAKERBSA-N 1 2 363.252 3.023 20 30 FGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126920 761321838 /nfs/dbraw/zinc/32/18/38/761321838.db2.gz UQHCBFIXFCZFHF-CRAIPNDOSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126920 761321845 /nfs/dbraw/zinc/32/18/45/761321845.db2.gz UQHCBFIXFCZFHF-CRAIPNDOSA-N 1 2 355.463 3.102 20 30 FGEDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)cccc1[N+](=O)[O-] ZINC000933776387 761472048 /nfs/dbraw/zinc/47/20/48/761472048.db2.gz CPKSJJGBQCUVLJ-LBPRGKRZSA-N 1 2 358.423 3.295 20 30 FGEDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cccc1[N+](=O)[O-] ZINC000933776387 761472051 /nfs/dbraw/zinc/47/20/51/761472051.db2.gz CPKSJJGBQCUVLJ-LBPRGKRZSA-N 1 2 358.423 3.295 20 30 FGEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2cn3ccccc3c2C#N)cn1 ZINC000933978328 761511521 /nfs/dbraw/zinc/51/15/21/761511521.db2.gz LPWGYVMJDLPNEI-LJQANCHMSA-N 1 2 351.479 3.225 20 30 FGEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2cn3ccccc3c2C#N)cn1 ZINC000933978328 761511525 /nfs/dbraw/zinc/51/15/25/761511525.db2.gz LPWGYVMJDLPNEI-LJQANCHMSA-N 1 2 351.479 3.225 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959597 762846536 /nfs/dbraw/zinc/84/65/36/762846536.db2.gz DWRKKSUWOTUGAG-HLLBOEOZSA-N 1 2 355.320 3.446 20 30 FGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959597 762846541 /nfs/dbraw/zinc/84/65/41/762846541.db2.gz DWRKKSUWOTUGAG-HLLBOEOZSA-N 1 2 355.320 3.446 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014938074 765789826 /nfs/dbraw/zinc/78/98/26/765789826.db2.gz KCCAICXELCSZJG-CEXWTWQISA-N 1 2 351.475 3.114 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014938074 765789829 /nfs/dbraw/zinc/78/98/29/765789829.db2.gz KCCAICXELCSZJG-CEXWTWQISA-N 1 2 351.475 3.114 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC001028142590 766112087 /nfs/dbraw/zinc/11/20/87/766112087.db2.gz PASQKHFUZAJNGN-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001028142590 766112090 /nfs/dbraw/zinc/11/20/90/766112090.db2.gz PASQKHFUZAJNGN-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029482380 766148187 /nfs/dbraw/zinc/14/81/87/766148187.db2.gz HLMJOHNXUIGZOY-RSPOEFSDSA-N 1 2 356.897 3.413 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029482380 766148191 /nfs/dbraw/zinc/14/81/91/766148191.db2.gz HLMJOHNXUIGZOY-RSPOEFSDSA-N 1 2 356.897 3.413 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001031679950 766182611 /nfs/dbraw/zinc/18/26/11/766182611.db2.gz OVACBRQHLVTNSC-QAPCUYQASA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001032046939 766194639 /nfs/dbraw/zinc/19/46/39/766194639.db2.gz JFUWREGDMWCQNN-YJBOKZPZSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC001032047038 766194981 /nfs/dbraw/zinc/19/49/81/766194981.db2.gz MMLRMQLGBXWIBY-WMZOPIPTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001033433379 766216119 /nfs/dbraw/zinc/21/61/19/766216119.db2.gz VQNLLCAGGOIZPT-RKVPGOIHSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001033433379 766216121 /nfs/dbraw/zinc/21/61/21/766216121.db2.gz VQNLLCAGGOIZPT-RKVPGOIHSA-N 1 2 366.864 3.103 20 30 FGEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]2C2CC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046689974 766604709 /nfs/dbraw/zinc/60/47/09/766604709.db2.gz PWHPYBLLUPABJL-UEXGIBASSA-N 1 2 356.897 3.318 20 30 FGEDLO C[C@]1(NC(=O)[C@@H]2C[C@H]2C2CC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046689974 766604717 /nfs/dbraw/zinc/60/47/17/766604717.db2.gz PWHPYBLLUPABJL-UEXGIBASSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707053 766804216 /nfs/dbraw/zinc/80/42/16/766804216.db2.gz BVFMJUJJONXVFK-LVQVYYBASA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707053 766804225 /nfs/dbraw/zinc/80/42/25/766804225.db2.gz BVFMJUJJONXVFK-LVQVYYBASA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C/C=C\Cl)C2 ZINC001054285427 767005047 /nfs/dbraw/zinc/00/50/47/767005047.db2.gz IIDKTBTVKFTJJL-MQWRHRPSSA-N 1 2 360.885 3.352 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C/C=C\Cl)C2 ZINC001054285427 767005058 /nfs/dbraw/zinc/00/50/58/767005058.db2.gz IIDKTBTVKFTJJL-MQWRHRPSSA-N 1 2 360.885 3.352 20 30 FGEDLO CCOC(=O)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000105139039 209264285 /nfs/dbraw/zinc/26/42/85/209264285.db2.gz GILPVBOMAWTQAJ-UHFFFAOYSA-N 1 2 367.449 3.013 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568000846 505594095 /nfs/dbraw/zinc/59/40/95/505594095.db2.gz MQNNEKVLWKJBAY-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277590 506395823 /nfs/dbraw/zinc/39/58/23/506395823.db2.gz OKXOMDLDYZCGEE-IAQYHMDHSA-N 1 2 350.260 3.184 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277590 506395829 /nfs/dbraw/zinc/39/58/29/506395829.db2.gz OKXOMDLDYZCGEE-IAQYHMDHSA-N 1 2 350.260 3.184 20 30 FGEDLO C=CCCc1ccccc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000574008062 505671734 /nfs/dbraw/zinc/67/17/34/505671734.db2.gz NPCBHVUXZODSPW-IBGZPJMESA-N 1 2 368.481 3.240 20 30 FGEDLO C=CCCc1ccccc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000574008062 505671737 /nfs/dbraw/zinc/67/17/37/505671737.db2.gz NPCBHVUXZODSPW-IBGZPJMESA-N 1 2 368.481 3.240 20 30 FGEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000571200837 505678362 /nfs/dbraw/zinc/67/83/62/505678362.db2.gz DQHANNNXXPVDLQ-KRWDZBQOSA-N 1 2 373.478 3.246 20 30 FGEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000571200837 505678367 /nfs/dbraw/zinc/67/83/67/505678367.db2.gz DQHANNNXXPVDLQ-KRWDZBQOSA-N 1 2 373.478 3.246 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000057644531 493782862 /nfs/dbraw/zinc/78/28/62/493782862.db2.gz IMDJMXYBTIJMRM-UHFFFAOYSA-N 1 2 373.460 3.067 20 30 FGEDLO COCCOc1ccc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cc1 ZINC000068274316 493788562 /nfs/dbraw/zinc/78/85/62/493788562.db2.gz UFEXSEMQYDIYIN-VOTSOKGWSA-N 1 2 354.328 3.367 20 30 FGEDLO N#CC1CC[NH+](CC(=O)NCc2ccccc2COc2ccccc2)CC1 ZINC000057873194 493810247 /nfs/dbraw/zinc/81/02/47/493810247.db2.gz DLOTWNNYZMKJNC-UHFFFAOYSA-N 1 2 363.461 3.117 20 30 FGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226954 493826971 /nfs/dbraw/zinc/82/69/71/493826971.db2.gz IUSSVGWSUHNHSC-ZDUSSCGKSA-N 1 2 367.409 3.215 20 30 FGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226948 493827265 /nfs/dbraw/zinc/82/72/65/493827265.db2.gz IUSSVGWSUHNHSC-CYBMUJFWSA-N 1 2 367.409 3.215 20 30 FGEDLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccc(C#N)cc1 ZINC000076269048 493856819 /nfs/dbraw/zinc/85/68/19/493856819.db2.gz QMDZCJRHFJINNN-SECBINFHSA-N 1 2 357.215 3.171 20 30 FGEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C[C@@H](C)C#N ZINC000049982480 493889964 /nfs/dbraw/zinc/88/99/64/493889964.db2.gz MOKAMIUYJGQRBT-INIZCTEOSA-N 1 2 353.466 3.288 20 30 FGEDLO CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C[C@@H](C)C#N ZINC000049982480 493889967 /nfs/dbraw/zinc/88/99/67/493889967.db2.gz MOKAMIUYJGQRBT-INIZCTEOSA-N 1 2 353.466 3.288 20 30 FGEDLO COc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512429 493906563 /nfs/dbraw/zinc/90/65/63/493906563.db2.gz USNYXMVMOUQATB-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512429 493906566 /nfs/dbraw/zinc/90/65/66/493906566.db2.gz USNYXMVMOUQATB-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000081517937 493909079 /nfs/dbraw/zinc/90/90/79/493909079.db2.gz YYFZLYOKWGNMDS-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517937 493909084 /nfs/dbraw/zinc/90/90/84/493909084.db2.gz YYFZLYOKWGNMDS-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO N#Cc1c(F)cccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000060355880 493926165 /nfs/dbraw/zinc/92/61/65/493926165.db2.gz JSTKONGSGNMXNW-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000051034285 493943965 /nfs/dbraw/zinc/94/39/65/493943965.db2.gz IMRISIZQASHDJW-UHFFFAOYSA-N 1 2 363.421 3.291 20 30 FGEDLO N#Cc1cccc(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000081931905 493967769 /nfs/dbraw/zinc/96/77/69/493967769.db2.gz SXNXNPZWGLLBMA-UHFFFAOYSA-N 1 2 358.445 3.246 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000083170165 494003048 /nfs/dbraw/zinc/00/30/48/494003048.db2.gz MBJSPTINVAHWOX-HXUWFJFHSA-N 1 2 367.424 3.488 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000083221343 494009833 /nfs/dbraw/zinc/00/98/33/494009833.db2.gz QMKOFDAASPAWRN-PZJWPPBQSA-N 1 2 364.445 3.311 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000083221343 494009836 /nfs/dbraw/zinc/00/98/36/494009836.db2.gz QMKOFDAASPAWRN-PZJWPPBQSA-N 1 2 364.445 3.311 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247566 494013709 /nfs/dbraw/zinc/01/37/09/494013709.db2.gz GOIBQLVWYPAURD-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247566 494013713 /nfs/dbraw/zinc/01/37/13/494013713.db2.gz GOIBQLVWYPAURD-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000032831798 494021105 /nfs/dbraw/zinc/02/11/05/494021105.db2.gz SLTHTWBKUWOGPJ-UHFFFAOYSA-N 1 2 374.916 3.113 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287997 494039811 /nfs/dbraw/zinc/03/98/11/494039811.db2.gz KUFDUYXNCORZCU-UHFFFAOYSA-N 1 2 360.801 3.270 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287997 494039815 /nfs/dbraw/zinc/03/98/15/494039815.db2.gz KUFDUYXNCORZCU-UHFFFAOYSA-N 1 2 360.801 3.270 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063388200 494049877 /nfs/dbraw/zinc/04/98/77/494049877.db2.gz UVDSURXIZXQQKL-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063388200 494049880 /nfs/dbraw/zinc/04/98/80/494049880.db2.gz UVDSURXIZXQQKL-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000063402259 494051630 /nfs/dbraw/zinc/05/16/30/494051630.db2.gz SFALUKOIXAJBTQ-UHFFFAOYSA-N 1 2 369.425 3.190 20 30 FGEDLO COCC[N@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000063753540 494084373 /nfs/dbraw/zinc/08/43/73/494084373.db2.gz RCOUHRJSLMLKPB-UHFFFAOYSA-N 1 2 357.498 3.186 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccc(C#N)cc1 ZINC000063753540 494084377 /nfs/dbraw/zinc/08/43/77/494084377.db2.gz RCOUHRJSLMLKPB-UHFFFAOYSA-N 1 2 357.498 3.186 20 30 FGEDLO N#Cc1cc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1F ZINC000077499757 494097718 /nfs/dbraw/zinc/09/77/18/494097718.db2.gz OGPQLHXEVBRSPO-UHFFFAOYSA-N 1 2 363.396 3.306 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1[nH+]ccn1C ZINC000053835845 494170251 /nfs/dbraw/zinc/17/02/51/494170251.db2.gz SGGDDACUICILOP-RJRNSMGGSA-N 1 2 372.428 3.219 20 30 FGEDLO COc1cccc([C@@H](NC(=O)Nc2cccc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000054008840 494185047 /nfs/dbraw/zinc/18/50/47/494185047.db2.gz QVGYPQIPKCTWCV-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054271927 494214990 /nfs/dbraw/zinc/21/49/90/494214990.db2.gz XGBVNOPBBWQECN-UHFFFAOYSA-N 1 2 356.441 3.181 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000054271927 494214993 /nfs/dbraw/zinc/21/49/93/494214993.db2.gz XGBVNOPBBWQECN-UHFFFAOYSA-N 1 2 356.441 3.181 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000054394737 494231121 /nfs/dbraw/zinc/23/11/21/494231121.db2.gz DCNLAKSYFCAMJC-OAHLLOKOSA-N 1 2 362.495 3.321 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000054394737 494231125 /nfs/dbraw/zinc/23/11/25/494231125.db2.gz DCNLAKSYFCAMJC-OAHLLOKOSA-N 1 2 362.495 3.321 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000072692618 494235155 /nfs/dbraw/zinc/23/51/55/494235155.db2.gz KJJYWWARWMJLAW-UHFFFAOYSA-N 1 2 370.497 3.404 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000072692618 494235158 /nfs/dbraw/zinc/23/51/58/494235158.db2.gz KJJYWWARWMJLAW-UHFFFAOYSA-N 1 2 370.497 3.404 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(C)C[C@@H](C)C#N)c3)cn2c1 ZINC000065880775 494251500 /nfs/dbraw/zinc/25/15/00/494251500.db2.gz XDTORLLUKHAJGF-INIZCTEOSA-N 1 2 362.433 3.453 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000078622070 494332582 /nfs/dbraw/zinc/33/25/82/494332582.db2.gz MIIJARMOHMNLRR-INIZCTEOSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000078622070 494332586 /nfs/dbraw/zinc/33/25/86/494332586.db2.gz MIIJARMOHMNLRR-INIZCTEOSA-N 1 2 355.438 3.364 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560798 494355232 /nfs/dbraw/zinc/35/52/32/494355232.db2.gz UXAHUYPGHKTULL-KRWDZBQOSA-N 1 2 358.463 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560798 494355233 /nfs/dbraw/zinc/35/52/33/494355233.db2.gz UXAHUYPGHKTULL-KRWDZBQOSA-N 1 2 358.463 3.049 20 30 FGEDLO N#CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000079101758 494404014 /nfs/dbraw/zinc/40/40/14/494404014.db2.gz TXFSZXNXAZRPIE-UHFFFAOYSA-N 1 2 365.437 3.296 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3cccs3)CC2)cc1 ZINC000017842970 494418653 /nfs/dbraw/zinc/41/86/53/494418653.db2.gz QLMCHOFEQKGRBB-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532128 494437720 /nfs/dbraw/zinc/43/77/20/494437720.db2.gz IVBTUURGMFJDHU-UHFFFAOYSA-N 1 2 373.460 3.187 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000091000732 494510087 /nfs/dbraw/zinc/51/00/87/494510087.db2.gz CFEHNVYHXXGOSK-UHFFFAOYSA-N 1 2 359.433 3.311 20 30 FGEDLO Cc1cnc(CC[N@@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)s1 ZINC000091076334 494524302 /nfs/dbraw/zinc/52/43/02/494524302.db2.gz SMNUNHAHTJQJMG-UHFFFAOYSA-N 1 2 351.479 3.492 20 30 FGEDLO Cc1cnc(CC[N@H+](C)Cc2c(C#N)c(C)nn2-c2ccccc2)s1 ZINC000091076334 494524306 /nfs/dbraw/zinc/52/43/06/494524306.db2.gz SMNUNHAHTJQJMG-UHFFFAOYSA-N 1 2 351.479 3.492 20 30 FGEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361199 494605049 /nfs/dbraw/zinc/60/50/49/494605049.db2.gz FARAHGNQGOWMLQ-LJQANCHMSA-N 1 2 357.475 3.234 20 30 FGEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361199 494605059 /nfs/dbraw/zinc/60/50/59/494605059.db2.gz FARAHGNQGOWMLQ-LJQANCHMSA-N 1 2 357.475 3.234 20 30 FGEDLO C=CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361200 494605303 /nfs/dbraw/zinc/60/53/03/494605303.db2.gz FARAHGNQGOWMLQ-IBGZPJMESA-N 1 2 357.475 3.234 20 30 FGEDLO C=CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361200 494605308 /nfs/dbraw/zinc/60/53/08/494605308.db2.gz FARAHGNQGOWMLQ-IBGZPJMESA-N 1 2 357.475 3.234 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCCC[NH+]3CCOCC3)o2)cc1 ZINC000126225232 494677497 /nfs/dbraw/zinc/67/74/97/494677497.db2.gz YRVOHOFBCGYUQH-UHFFFAOYSA-N 1 2 361.467 3.116 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c(F)c1 ZINC000092596720 494682734 /nfs/dbraw/zinc/68/27/34/494682734.db2.gz SKLIQVMUNURZEY-UHFFFAOYSA-N 1 2 367.424 3.181 20 30 FGEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000121420342 494747712 /nfs/dbraw/zinc/74/77/12/494747712.db2.gz JCAPQMPMYBFLMV-RDJZCZTQSA-N 1 2 353.422 3.010 20 30 FGEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000121459418 494766957 /nfs/dbraw/zinc/76/69/57/494766957.db2.gz GURUHUUCGYOAIK-UHFFFAOYSA-N 1 2 362.458 3.415 20 30 FGEDLO Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000092101635 494788889 /nfs/dbraw/zinc/78/88/89/494788889.db2.gz XNHUGNDNSJDRAG-UHFFFAOYSA-N 1 2 351.410 3.168 20 30 FGEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000593125551 506409145 /nfs/dbraw/zinc/40/91/45/506409145.db2.gz OHOPEESMQHKUMR-INIZCTEOSA-N 1 2 373.250 3.076 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000593125551 506409153 /nfs/dbraw/zinc/40/91/53/506409153.db2.gz OHOPEESMQHKUMR-INIZCTEOSA-N 1 2 373.250 3.076 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000121582810 494811293 /nfs/dbraw/zinc/81/12/93/494811293.db2.gz AOLMOTHMJAYKMY-HXUWFJFHSA-N 1 2 351.450 3.086 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000026918514 494844956 /nfs/dbraw/zinc/84/49/56/494844956.db2.gz RVJZKIWRAMNBLI-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000027051634 494851176 /nfs/dbraw/zinc/85/11/76/494851176.db2.gz FKHCLCXBCFZOAG-KRWDZBQOSA-N 1 2 371.799 3.115 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000027051634 494851181 /nfs/dbraw/zinc/85/11/81/494851181.db2.gz FKHCLCXBCFZOAG-KRWDZBQOSA-N 1 2 371.799 3.115 20 30 FGEDLO CC(C)S(=O)(=O)Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000132418566 494871354 /nfs/dbraw/zinc/87/13/54/494871354.db2.gz VSHSZWLISWVZDY-UHFFFAOYSA-N 1 2 368.462 3.141 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1Cl ZINC000093391795 494884326 /nfs/dbraw/zinc/88/43/26/494884326.db2.gz CWNDHQBJTMVLNV-CYBMUJFWSA-N 1 2 357.903 3.302 20 30 FGEDLO C=CCOc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1Cl ZINC000093391795 494884330 /nfs/dbraw/zinc/88/43/30/494884330.db2.gz CWNDHQBJTMVLNV-CYBMUJFWSA-N 1 2 357.903 3.302 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106707 494894701 /nfs/dbraw/zinc/89/47/01/494894701.db2.gz BRASYCAMAMBBQZ-MSOLQXFVSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106707 494894703 /nfs/dbraw/zinc/89/47/03/494894703.db2.gz BRASYCAMAMBBQZ-MSOLQXFVSA-N 1 2 356.376 3.403 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(OC)cc1 ZINC000117478752 494925357 /nfs/dbraw/zinc/92/53/57/494925357.db2.gz MXRYUCXTAQUWIP-UHFFFAOYSA-N 1 2 363.461 3.320 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(OC)cc1 ZINC000117478752 494925361 /nfs/dbraw/zinc/92/53/61/494925361.db2.gz MXRYUCXTAQUWIP-UHFFFAOYSA-N 1 2 363.461 3.320 20 30 FGEDLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000117879516 494960675 /nfs/dbraw/zinc/96/06/75/494960675.db2.gz NGYLGAIEMMAPQZ-FQEVSTJZSA-N 1 2 350.418 3.316 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000122669704 495012575 /nfs/dbraw/zinc/01/25/75/495012575.db2.gz GTIIGXADWLEERA-RBUKOAKNSA-N 1 2 354.454 3.004 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000133616989 495036237 /nfs/dbraw/zinc/03/62/37/495036237.db2.gz MVOTUYXRNBIVLL-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000111250614 495055420 /nfs/dbraw/zinc/05/54/20/495055420.db2.gz GJDBUFWFMVQJQV-UHFFFAOYSA-N 1 2 352.482 3.314 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000111250614 495055423 /nfs/dbraw/zinc/05/54/23/495055423.db2.gz GJDBUFWFMVQJQV-UHFFFAOYSA-N 1 2 352.482 3.314 20 30 FGEDLO CCCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OC ZINC000122950131 495058246 /nfs/dbraw/zinc/05/82/46/495058246.db2.gz DGGBCCDYIYAGAT-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000119154619 495105466 /nfs/dbraw/zinc/10/54/66/495105466.db2.gz HSGLOEQPOLQQHD-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO CO/N=C/c1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000129252369 495217998 /nfs/dbraw/zinc/21/79/98/495217998.db2.gz BEMPWDNIVJSAFL-HYARGMPZSA-N 1 2 367.449 3.060 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467935 495236281 /nfs/dbraw/zinc/23/62/81/495236281.db2.gz QNFGHDAMGPMHRQ-UHFFFAOYSA-N 1 2 372.469 3.092 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574427536 505770789 /nfs/dbraw/zinc/77/07/89/505770789.db2.gz VJFQIPQCIKOGSZ-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574427536 505770794 /nfs/dbraw/zinc/77/07/94/505770794.db2.gz VJFQIPQCIKOGSZ-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000124404372 495281976 /nfs/dbraw/zinc/28/19/76/495281976.db2.gz ARUFHUYDOCWEIE-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000124404372 495281979 /nfs/dbraw/zinc/28/19/79/495281979.db2.gz ARUFHUYDOCWEIE-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000129794913 495297022 /nfs/dbraw/zinc/29/70/22/495297022.db2.gz GOTBPJKESNPPQQ-CQSZACIVSA-N 1 2 374.347 3.240 20 30 FGEDLO Cn1c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nnc1-c1ccccc1 ZINC000104716366 495300536 /nfs/dbraw/zinc/30/05/36/495300536.db2.gz NVNZSDIPOXUBOV-UHFFFAOYSA-N 1 2 373.460 3.397 20 30 FGEDLO CC(=O)Nc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104715417 495300552 /nfs/dbraw/zinc/30/05/52/495300552.db2.gz ORTIECDMIJMRNC-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3C)CC2)s1 ZINC000124577491 495310189 /nfs/dbraw/zinc/31/01/89/495310189.db2.gz QXDOITCIWPKUSH-UHFFFAOYSA-N 1 2 353.491 3.449 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105302539 495354367 /nfs/dbraw/zinc/35/43/67/495354367.db2.gz QGAWVHSYFYIVRG-KBPBESRZSA-N 1 2 371.934 3.208 20 30 FGEDLO N#CC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000114455925 495377114 /nfs/dbraw/zinc/37/71/14/495377114.db2.gz NINZSAJYPCNFMT-UHFFFAOYSA-N 1 2 353.245 3.296 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000136822222 495403427 /nfs/dbraw/zinc/40/34/27/495403427.db2.gz KNBQNIKCTYUHKT-NRFANRHFSA-N 1 2 371.444 3.374 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106378999 495450578 /nfs/dbraw/zinc/45/05/78/495450578.db2.gz OMOQYOUVZOPMGL-GOSISDBHSA-N 1 2 369.509 3.070 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106378999 495450582 /nfs/dbraw/zinc/45/05/82/495450582.db2.gz OMOQYOUVZOPMGL-GOSISDBHSA-N 1 2 369.509 3.070 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106378999 495450587 /nfs/dbraw/zinc/45/05/87/495450587.db2.gz OMOQYOUVZOPMGL-GOSISDBHSA-N 1 2 369.509 3.070 20 30 FGEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000120994793 495500147 /nfs/dbraw/zinc/50/01/47/495500147.db2.gz XPZJITQXBUZHTI-SFHVURJKSA-N 1 2 371.282 3.227 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115557116 495517002 /nfs/dbraw/zinc/51/70/02/495517002.db2.gz QHUUUUOAZCIIIY-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO CCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OCC ZINC000115595233 495520520 /nfs/dbraw/zinc/52/05/20/495520520.db2.gz UCTJQENEJFROGW-XOBRGWDASA-N 1 2 367.449 3.233 20 30 FGEDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OCC ZINC000115595238 495520556 /nfs/dbraw/zinc/52/05/56/495520556.db2.gz UCTJQENEJFROGW-VBKZILBWSA-N 1 2 367.449 3.233 20 30 FGEDLO N#Cc1ccc(NCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107275640 495524644 /nfs/dbraw/zinc/52/46/44/495524644.db2.gz BAHDCBLMBHCKQD-UHFFFAOYSA-N 1 2 363.465 3.062 20 30 FGEDLO Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000179338597 495548988 /nfs/dbraw/zinc/54/89/88/495548988.db2.gz HMYWZWWNPONUHX-UHFFFAOYSA-N 1 2 365.437 3.477 20 30 FGEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000176287157 495580476 /nfs/dbraw/zinc/58/04/76/495580476.db2.gz KFQMBZLNWFQNRB-QAPCUYQASA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000176287157 495580483 /nfs/dbraw/zinc/58/04/83/495580483.db2.gz KFQMBZLNWFQNRB-QAPCUYQASA-N 1 2 358.463 3.398 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000173555102 495587158 /nfs/dbraw/zinc/58/71/58/495587158.db2.gz JBUGMJWDUZECEV-UHFFFAOYSA-N 1 2 370.497 3.404 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000173555102 495587160 /nfs/dbraw/zinc/58/71/60/495587160.db2.gz JBUGMJWDUZECEV-UHFFFAOYSA-N 1 2 370.497 3.404 20 30 FGEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000182731785 495680737 /nfs/dbraw/zinc/68/07/37/495680737.db2.gz DFPQQQYPGOHMNW-CZUORRHYSA-N 1 2 367.453 3.085 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2)CC1 ZINC000179779899 495731928 /nfs/dbraw/zinc/73/19/28/495731928.db2.gz HGEQCXJFRBLONT-UHFFFAOYSA-N 1 2 370.456 3.459 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(C#N)c1C ZINC000154910011 495769774 /nfs/dbraw/zinc/76/97/74/495769774.db2.gz WUUWTICEOFHEOR-MRXNPFEDSA-N 1 2 367.405 3.272 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(C#N)c1C ZINC000154910011 495769779 /nfs/dbraw/zinc/76/97/79/495769779.db2.gz WUUWTICEOFHEOR-MRXNPFEDSA-N 1 2 367.405 3.272 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2)CC1 ZINC000179952248 495798028 /nfs/dbraw/zinc/79/80/28/495798028.db2.gz XTLRACFNFUNLGW-UHFFFAOYSA-N 1 2 360.392 3.497 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000151367533 495817227 /nfs/dbraw/zinc/81/72/27/495817227.db2.gz RFMFCAFDYDQMOT-QGZVFWFLSA-N 1 2 365.437 3.144 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000155190558 495868182 /nfs/dbraw/zinc/86/81/82/495868182.db2.gz NZQFDOVBTYEAIK-UHFFFAOYSA-N 1 2 374.444 3.496 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)c1 ZINC000171610103 495947448 /nfs/dbraw/zinc/94/74/48/495947448.db2.gz JLCJFJNLZGMOAG-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000171748545 496019505 /nfs/dbraw/zinc/01/95/05/496019505.db2.gz VFZRLPPZIBIUNH-INIZCTEOSA-N 1 2 350.871 3.063 20 30 FGEDLO C=CC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CCS(=O)(=O)C1 ZINC000171748545 496019507 /nfs/dbraw/zinc/01/95/07/496019507.db2.gz VFZRLPPZIBIUNH-INIZCTEOSA-N 1 2 350.871 3.063 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000174726002 496078501 /nfs/dbraw/zinc/07/85/01/496078501.db2.gz YODJYCXOPGBXDM-GOSISDBHSA-N 1 2 364.440 3.437 20 30 FGEDLO Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000152355509 496126066 /nfs/dbraw/zinc/12/60/66/496126066.db2.gz OZKQBSPPSVJGQJ-INIZCTEOSA-N 1 2 367.428 3.500 20 30 FGEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180759731 496134784 /nfs/dbraw/zinc/13/47/84/496134784.db2.gz SQKYBJNVCQWLOA-WBVHZDCISA-N 1 2 369.893 3.376 20 30 FGEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180759731 496134792 /nfs/dbraw/zinc/13/47/92/496134792.db2.gz SQKYBJNVCQWLOA-WBVHZDCISA-N 1 2 369.893 3.376 20 30 FGEDLO N#CCc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000577949383 505825876 /nfs/dbraw/zinc/82/58/76/505825876.db2.gz JZZIKVPLGNOGSB-UHFFFAOYSA-N 1 2 363.465 3.137 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186865683 496187004 /nfs/dbraw/zinc/18/70/04/496187004.db2.gz RUCRNDOLTIGRMQ-QGZVFWFLSA-N 1 2 372.513 3.217 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1C#N ZINC000152592277 496196861 /nfs/dbraw/zinc/19/68/61/496196861.db2.gz NCONLLKKHWYXIK-IBGZPJMESA-N 1 2 362.458 3.159 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1C ZINC000161589608 496202856 /nfs/dbraw/zinc/20/28/56/496202856.db2.gz CHVVIEFYEYIVDD-QGZVFWFLSA-N 1 2 358.404 3.109 20 30 FGEDLO N#Cc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000181138034 496283185 /nfs/dbraw/zinc/28/31/85/496283185.db2.gz HBTODQVDUYZCLZ-UHFFFAOYSA-N 1 2 356.429 3.196 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000178031615 496296527 /nfs/dbraw/zinc/29/65/27/496296527.db2.gz PXMKVPYXADOHIA-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000178031615 496296529 /nfs/dbraw/zinc/29/65/29/496296529.db2.gz PXMKVPYXADOHIA-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181382296 496373093 /nfs/dbraw/zinc/37/30/93/496373093.db2.gz XJTGYLSRDOCZNA-SJORKVTESA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181382296 496373096 /nfs/dbraw/zinc/37/30/96/496373096.db2.gz XJTGYLSRDOCZNA-SJORKVTESA-N 1 2 360.820 3.244 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000172797925 496435503 /nfs/dbraw/zinc/43/55/03/496435503.db2.gz FRBXTRNESCAXCP-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CCCc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000173000220 496516698 /nfs/dbraw/zinc/51/66/98/496516698.db2.gz FODQRIWKSRKABK-UHFFFAOYSA-N 1 2 368.506 3.315 20 30 FGEDLO CCCc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000173000220 496516704 /nfs/dbraw/zinc/51/67/04/496516704.db2.gz FODQRIWKSRKABK-UHFFFAOYSA-N 1 2 368.506 3.315 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185088949 496654636 /nfs/dbraw/zinc/65/46/36/496654636.db2.gz NCRBFLBMRVSLOO-SNVBAGLBSA-N 1 2 371.397 3.098 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3OC)n2)c1 ZINC000185111051 496663911 /nfs/dbraw/zinc/66/39/11/496663911.db2.gz VHZGEWPQCLQFAI-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO Cc1cc(N2CCN(Cc3cc(F)ccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000158274570 496666045 /nfs/dbraw/zinc/66/60/45/496666045.db2.gz VBVPHXISCGIYLS-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000158407231 496696226 /nfs/dbraw/zinc/69/62/26/496696226.db2.gz TXMQWTYSAHXQHY-UHFFFAOYSA-N 1 2 353.344 3.287 20 30 FGEDLO CC(=O)c1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000268713990 496764883 /nfs/dbraw/zinc/76/48/83/496764883.db2.gz FNZNQGKBEDUKBI-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO CC(=O)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000268713990 496764886 /nfs/dbraw/zinc/76/48/86/496764886.db2.gz FNZNQGKBEDUKBI-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)on1 ZINC000194963687 496775796 /nfs/dbraw/zinc/77/57/96/496775796.db2.gz PYHUWIVTOAOCBZ-UHFFFAOYSA-N 1 2 352.438 3.447 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)on1 ZINC000194963687 496775802 /nfs/dbraw/zinc/77/58/02/496775802.db2.gz PYHUWIVTOAOCBZ-UHFFFAOYSA-N 1 2 352.438 3.447 20 30 FGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000273398815 496794628 /nfs/dbraw/zinc/79/46/28/496794628.db2.gz QGXQRKJBCBBXRV-AWEZNQCLSA-N 1 2 364.405 3.498 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000569162090 505866537 /nfs/dbraw/zinc/86/65/37/505866537.db2.gz SKTZCRNSGHHYFC-SUMWQHHRSA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000569162090 505866540 /nfs/dbraw/zinc/86/65/40/505866540.db2.gz SKTZCRNSGHHYFC-SUMWQHHRSA-N 1 2 354.372 3.347 20 30 FGEDLO Cc1cnc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)s1 ZINC000277505151 496795614 /nfs/dbraw/zinc/79/56/14/496795614.db2.gz SCUSZTGGJKOTJD-OAHLLOKOSA-N 1 2 372.519 3.370 20 30 FGEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C2CCCCC2)no1 ZINC000191577161 496819758 /nfs/dbraw/zinc/81/97/58/496819758.db2.gz GGUHCTJGRHRJMH-CYBMUJFWSA-N 1 2 350.426 3.487 20 30 FGEDLO C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(C2CCCCC2)no1 ZINC000191577161 496819762 /nfs/dbraw/zinc/81/97/62/496819762.db2.gz GGUHCTJGRHRJMH-CYBMUJFWSA-N 1 2 350.426 3.487 20 30 FGEDLO N#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000195115151 496824762 /nfs/dbraw/zinc/82/47/62/496824762.db2.gz XPNBQEJIDVETDM-UHFFFAOYSA-N 1 2 373.416 3.082 20 30 FGEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000191817298 496899550 /nfs/dbraw/zinc/89/95/50/496899550.db2.gz ZRKBZIUZYKLBGV-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269370131 496930748 /nfs/dbraw/zinc/93/07/48/496930748.db2.gz HPWLVLJOIOIDRW-AWEZNQCLSA-N 1 2 353.426 3.480 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264771868 496982001 /nfs/dbraw/zinc/98/20/01/496982001.db2.gz WNBMIQWOCYCCSX-OAHLLOKOSA-N 1 2 353.426 3.480 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000578169886 505877934 /nfs/dbraw/zinc/87/79/34/505877934.db2.gz JALHRPZNNUHIPL-CQSZACIVSA-N 1 2 360.483 3.404 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000578169886 505877938 /nfs/dbraw/zinc/87/79/38/505877938.db2.gz JALHRPZNNUHIPL-CQSZACIVSA-N 1 2 360.483 3.404 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)c1 ZINC000189118807 497013817 /nfs/dbraw/zinc/01/38/17/497013817.db2.gz CTTVBBYDPTXBON-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265235560 497077947 /nfs/dbraw/zinc/07/79/47/497077947.db2.gz NPJMKNAMPRZVLK-ZDUSSCGKSA-N 1 2 361.371 3.250 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)s2)cc1 ZINC000278450652 497118470 /nfs/dbraw/zinc/11/84/70/497118470.db2.gz NCDAWXGABCRCES-KRWDZBQOSA-N 1 2 352.463 3.171 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)s2)cc1 ZINC000278450652 497118475 /nfs/dbraw/zinc/11/84/75/497118475.db2.gz NCDAWXGABCRCES-KRWDZBQOSA-N 1 2 352.463 3.171 20 30 FGEDLO N#CCCn1cc(CNc2ccc(N3CCCC3)[nH+]c2)c(-c2ccncc2)n1 ZINC000278566296 497154166 /nfs/dbraw/zinc/15/41/66/497154166.db2.gz AQFBBBJLXNFCTF-UHFFFAOYSA-N 1 2 373.464 3.466 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2nccn2C)c1 ZINC000192642240 497172830 /nfs/dbraw/zinc/17/28/30/497172830.db2.gz TXYFBONGJPXJLD-QOKNQOGYSA-N 1 2 354.454 3.199 20 30 FGEDLO Cc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)s1 ZINC000572158754 505903786 /nfs/dbraw/zinc/90/37/86/505903786.db2.gz IGNMAMXYOPTYQP-UHFFFAOYSA-N 1 2 363.508 3.008 20 30 FGEDLO Cc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)s1 ZINC000572158754 505903788 /nfs/dbraw/zinc/90/37/88/505903788.db2.gz IGNMAMXYOPTYQP-UHFFFAOYSA-N 1 2 363.508 3.008 20 30 FGEDLO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000279324746 497406355 /nfs/dbraw/zinc/40/63/55/497406355.db2.gz SPSNTHHBVNLMJZ-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000193606588 497425492 /nfs/dbraw/zinc/42/54/92/497425492.db2.gz QINQZWIWJWGLPI-UHFFFAOYSA-N 1 2 363.421 3.437 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1c[nH]c2ccccc12 ZINC000190484392 497499663 /nfs/dbraw/zinc/49/96/63/497499663.db2.gz KBDPUKTZHZGVMJ-UHFFFAOYSA-N 1 2 367.474 3.335 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1c[nH]c2ccccc12 ZINC000190484392 497499666 /nfs/dbraw/zinc/49/96/66/497499666.db2.gz KBDPUKTZHZGVMJ-UHFFFAOYSA-N 1 2 367.474 3.335 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1c[nH]c2ccccc12 ZINC000190503426 497507567 /nfs/dbraw/zinc/50/75/67/497507567.db2.gz WNOOCMCOOHBZDG-UHFFFAOYSA-N 1 2 367.474 3.335 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1c[nH]c2ccccc12 ZINC000190503426 497507572 /nfs/dbraw/zinc/50/75/72/497507572.db2.gz WNOOCMCOOHBZDG-UHFFFAOYSA-N 1 2 367.474 3.335 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190530585 497517683 /nfs/dbraw/zinc/51/76/83/497517683.db2.gz FMFZHSVRXQOEOK-HNNXBMFYSA-N 1 2 361.461 3.350 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1Cl ZINC000572204675 505913030 /nfs/dbraw/zinc/91/30/30/505913030.db2.gz AJHVILKYZHDXNG-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1Cl ZINC000572204675 505913033 /nfs/dbraw/zinc/91/30/33/505913033.db2.gz AJHVILKYZHDXNG-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000272585630 497670837 /nfs/dbraw/zinc/67/08/37/497670837.db2.gz OUFVIMSESYSSMD-UHFFFAOYSA-N 1 2 357.351 3.086 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191119514 497715323 /nfs/dbraw/zinc/71/53/23/497715323.db2.gz XWZFIYCUJCTCHX-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191119514 497715327 /nfs/dbraw/zinc/71/53/27/497715327.db2.gz XWZFIYCUJCTCHX-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)sc1C ZINC000280362436 497731522 /nfs/dbraw/zinc/73/15/22/497731522.db2.gz IYIZSYHFVIRWFN-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)sc1C ZINC000280362436 497731525 /nfs/dbraw/zinc/73/15/25/497731525.db2.gz IYIZSYHFVIRWFN-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccn2cc[nH+]c2c1 ZINC000578380449 505926510 /nfs/dbraw/zinc/92/65/10/505926510.db2.gz HVQBWYYNAUJYMR-UHFFFAOYSA-N 1 2 365.343 3.390 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)c[nH+]1 ZINC000191336948 497784646 /nfs/dbraw/zinc/78/46/46/497784646.db2.gz FDXORVIVEGKRAH-ONNFQVAWSA-N 1 2 353.422 3.019 20 30 FGEDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329539851 497823787 /nfs/dbraw/zinc/82/37/87/497823787.db2.gz CPXIPOMNQSYEBK-DNVCBOLYSA-N 1 2 351.450 3.496 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C)(CO)CC3)n2)C1 ZINC000329603504 497842518 /nfs/dbraw/zinc/84/25/18/497842518.db2.gz LJQSUBODJJEEIJ-AWEZNQCLSA-N 1 2 366.531 3.015 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C)(CO)CC3)n2)C1 ZINC000329603504 497842526 /nfs/dbraw/zinc/84/25/26/497842526.db2.gz LJQSUBODJJEEIJ-AWEZNQCLSA-N 1 2 366.531 3.015 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000292054244 497857569 /nfs/dbraw/zinc/85/75/69/497857569.db2.gz BMUIRLJMWVXESV-UHFFFAOYSA-N 1 2 354.223 3.318 20 30 FGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1F ZINC000292054244 497857577 /nfs/dbraw/zinc/85/75/77/497857577.db2.gz BMUIRLJMWVXESV-UHFFFAOYSA-N 1 2 354.223 3.318 20 30 FGEDLO C[C@@H](C(=O)NCC(=O)N(C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000329781439 497898650 /nfs/dbraw/zinc/89/86/50/497898650.db2.gz SQEVFJMXQHZQNJ-INIZCTEOSA-N 1 2 357.498 3.181 20 30 FGEDLO C[C@@H](C(=O)NCC(=O)N(C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000329781439 497898654 /nfs/dbraw/zinc/89/86/54/497898654.db2.gz SQEVFJMXQHZQNJ-INIZCTEOSA-N 1 2 357.498 3.181 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C ZINC000329798601 497905833 /nfs/dbraw/zinc/90/58/33/497905833.db2.gz XODSPOSVWYYKTI-PZJWPPBQSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C ZINC000329798601 497905839 /nfs/dbraw/zinc/90/58/39/497905839.db2.gz XODSPOSVWYYKTI-PZJWPPBQSA-N 1 2 369.509 3.440 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329810717 497909193 /nfs/dbraw/zinc/90/91/93/497909193.db2.gz CMINMZBSVFLFEQ-LZQZEXGQSA-N 1 2 373.472 3.350 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329810717 497909197 /nfs/dbraw/zinc/90/91/97/497909197.db2.gz CMINMZBSVFLFEQ-LZQZEXGQSA-N 1 2 373.472 3.350 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000329879209 497937699 /nfs/dbraw/zinc/93/76/99/497937699.db2.gz LXQKZVVQBZLBPN-UHFFFAOYSA-N 1 2 362.477 3.430 20 30 FGEDLO CCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1c1[nH]cc[nH+]1 ZINC000329893474 497943108 /nfs/dbraw/zinc/94/31/08/497943108.db2.gz ASBNEUBXFQAIII-QQABJKMWSA-N 1 2 371.529 3.014 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)c1 ZINC000329918332 497952274 /nfs/dbraw/zinc/95/22/74/497952274.db2.gz RDHZFDUBDOGVAF-AEFFLSMTSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCN(C)[C@H](c3nccn3C)C2)c1 ZINC000329918332 497952277 /nfs/dbraw/zinc/95/22/77/497952277.db2.gz RDHZFDUBDOGVAF-AEFFLSMTSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCCC2)on1 ZINC000329931089 497956229 /nfs/dbraw/zinc/95/62/29/497956229.db2.gz ICOADYWEKOAOOE-HOCLYGCPSA-N 1 2 352.454 3.074 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCCC2)on1 ZINC000329931089 497956231 /nfs/dbraw/zinc/95/62/31/497956231.db2.gz ICOADYWEKOAOOE-HOCLYGCPSA-N 1 2 352.454 3.074 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1C ZINC000292292649 497956318 /nfs/dbraw/zinc/95/63/18/497956318.db2.gz UJLRKVKRWHYYLK-INIZCTEOSA-N 1 2 370.478 3.032 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1C ZINC000292292649 497956324 /nfs/dbraw/zinc/95/63/24/497956324.db2.gz UJLRKVKRWHYYLK-INIZCTEOSA-N 1 2 370.478 3.032 20 30 FGEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000329954486 497968493 /nfs/dbraw/zinc/96/84/93/497968493.db2.gz OLDSWRRODJPJOG-KSSFIOAISA-N 1 2 366.531 3.421 20 30 FGEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000329954486 497968498 /nfs/dbraw/zinc/96/84/98/497968498.db2.gz OLDSWRRODJPJOG-KSSFIOAISA-N 1 2 366.531 3.421 20 30 FGEDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1)Nc1ccccc1 ZINC000329968214 497974126 /nfs/dbraw/zinc/97/41/26/497974126.db2.gz WNLYFYYPOCRNBN-CQSZACIVSA-N 1 2 358.442 3.062 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)C1CCOCC1 ZINC000329973436 497976339 /nfs/dbraw/zinc/97/63/39/497976339.db2.gz ZNMXWERCGHLTGZ-DQYPLSBCSA-N 1 2 367.465 3.223 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)C1CCOCC1 ZINC000329973436 497976346 /nfs/dbraw/zinc/97/63/46/497976346.db2.gz ZNMXWERCGHLTGZ-DQYPLSBCSA-N 1 2 367.465 3.223 20 30 FGEDLO CC1(CCNC(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000329979592 497978652 /nfs/dbraw/zinc/97/86/52/497978652.db2.gz JWSUGTKKJSMNHG-INIZCTEOSA-N 1 2 358.486 3.239 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330077340 498011842 /nfs/dbraw/zinc/01/18/42/498011842.db2.gz HKYPRUFPBVZTQY-IBGZPJMESA-N 1 2 354.454 3.412 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330077340 498011845 /nfs/dbraw/zinc/01/18/45/498011845.db2.gz HKYPRUFPBVZTQY-IBGZPJMESA-N 1 2 354.454 3.412 20 30 FGEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301231950 498012201 /nfs/dbraw/zinc/01/22/01/498012201.db2.gz FVQQHPJWZXNOLJ-DOTOQJQBSA-N 1 2 374.916 3.029 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330081233 498012962 /nfs/dbraw/zinc/01/29/62/498012962.db2.gz ADQGUDUXRFXITP-PZPFTHLGSA-N 1 2 374.481 3.125 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330081233 498012969 /nfs/dbraw/zinc/01/29/69/498012969.db2.gz ADQGUDUXRFXITP-PZPFTHLGSA-N 1 2 374.481 3.125 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@]2(CCOC2)O1 ZINC000330089248 498017127 /nfs/dbraw/zinc/01/71/27/498017127.db2.gz VRZUCHLPMZZMRY-DZQUYAIASA-N 1 2 362.514 3.182 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@]2(CCOC2)O1 ZINC000330089248 498017132 /nfs/dbraw/zinc/01/71/32/498017132.db2.gz VRZUCHLPMZZMRY-DZQUYAIASA-N 1 2 362.514 3.182 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330132040 498032734 /nfs/dbraw/zinc/03/27/34/498032734.db2.gz QCLIEOCLAZCMFE-TWOQFEAHSA-N 1 2 362.470 3.250 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330132040 498032738 /nfs/dbraw/zinc/03/27/38/498032738.db2.gz QCLIEOCLAZCMFE-TWOQFEAHSA-N 1 2 362.470 3.250 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330133789 498034020 /nfs/dbraw/zinc/03/40/20/498034020.db2.gz RKEPETFDNJXJFV-BBTUJRGHSA-N 1 2 360.498 3.152 20 30 FGEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330133789 498034026 /nfs/dbraw/zinc/03/40/26/498034026.db2.gz RKEPETFDNJXJFV-BBTUJRGHSA-N 1 2 360.498 3.152 20 30 FGEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4cccc(C#N)n4)CC3)n2)cc1 ZINC000301287823 498040715 /nfs/dbraw/zinc/04/07/15/498040715.db2.gz RMJSRDPDAYWAJN-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO CC(C)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281181300 498045833 /nfs/dbraw/zinc/04/58/33/498045833.db2.gz QOPXIEKLFFBKOZ-UHFFFAOYSA-N 1 2 353.388 3.181 20 30 FGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1SCCc2ccccc21 ZINC000330196480 498058093 /nfs/dbraw/zinc/05/80/93/498058093.db2.gz QHUOAWZMKVXMHL-KRWDZBQOSA-N 1 2 356.495 3.254 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCOC3(CCC3)C1)C2 ZINC000330231347 498071454 /nfs/dbraw/zinc/07/14/54/498071454.db2.gz QZIYHBWVCZCFKB-CABCVRRESA-N 1 2 360.502 3.101 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCOC3(CCC3)C1)C2 ZINC000330231347 498071456 /nfs/dbraw/zinc/07/14/56/498071456.db2.gz QZIYHBWVCZCFKB-CABCVRRESA-N 1 2 360.502 3.101 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000330234143 498073129 /nfs/dbraw/zinc/07/31/29/498073129.db2.gz SMBAEPJKAIPPPL-ARFHVFGLSA-N 1 2 350.507 3.191 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000330248634 498079446 /nfs/dbraw/zinc/07/94/46/498079446.db2.gz GGJRKTSXHPNPDO-GJZGRUSLSA-N 1 2 371.489 3.033 20 30 FGEDLO Cc1nc(-c2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)no1 ZINC000330257045 498083153 /nfs/dbraw/zinc/08/31/53/498083153.db2.gz QLSNKBQLHXORCU-UHFFFAOYSA-N 1 2 352.398 3.193 20 30 FGEDLO COc1ccc([C@@H](NC(=O)N2CC3(C2)CCCC3)c2[nH+]ccn2C)cc1 ZINC000330264935 498085332 /nfs/dbraw/zinc/08/53/32/498085332.db2.gz YMYPNPVJUBGTLQ-QGZVFWFLSA-N 1 2 354.454 3.308 20 30 FGEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285536732 498121786 /nfs/dbraw/zinc/12/17/86/498121786.db2.gz QGJBIYCLEXEVKF-UHFFFAOYSA-N 1 2 362.836 3.436 20 30 FGEDLO COc1c(Cl)cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000330422953 498130312 /nfs/dbraw/zinc/13/03/12/498130312.db2.gz GMAAVBKYVUWQLF-SNVBAGLBSA-N 1 2 362.257 3.049 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330806362 498197054 /nfs/dbraw/zinc/19/70/54/498197054.db2.gz MGFVFGLGXYBICR-HOCLYGCPSA-N 1 2 373.419 3.168 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NC(C)(C)COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000330806362 498197058 /nfs/dbraw/zinc/19/70/58/498197058.db2.gz MGFVFGLGXYBICR-HOCLYGCPSA-N 1 2 373.419 3.168 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1F ZINC000330830060 498202462 /nfs/dbraw/zinc/20/24/62/498202462.db2.gz QHPLSLCRWYTAFB-UHFFFAOYSA-N 1 2 371.428 3.189 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1[C@@H]1CCCO1 ZINC000289679093 498244431 /nfs/dbraw/zinc/24/44/31/498244431.db2.gz HNSJTFGNIKHAFI-YJBOKZPZSA-N 1 2 359.495 3.130 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1[C@@H]1CCCO1 ZINC000289679093 498244437 /nfs/dbraw/zinc/24/44/37/498244437.db2.gz HNSJTFGNIKHAFI-YJBOKZPZSA-N 1 2 359.495 3.130 20 30 FGEDLO C=CCCCS(=O)(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000293096601 498265885 /nfs/dbraw/zinc/26/58/85/498265885.db2.gz TZKYIJAXBIBIPV-UHFFFAOYSA-N 1 2 371.506 3.030 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1C ZINC000286247929 498337937 /nfs/dbraw/zinc/33/79/37/498337937.db2.gz SCGTWYADHYWXPR-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1C ZINC000286247929 498337945 /nfs/dbraw/zinc/33/79/45/498337945.db2.gz SCGTWYADHYWXPR-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989955 506063836 /nfs/dbraw/zinc/06/38/36/506063836.db2.gz KUOQSRIUMWLNFY-NVXWUHKLSA-N 1 2 356.363 3.363 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989955 506063839 /nfs/dbraw/zinc/06/38/39/506063839.db2.gz KUOQSRIUMWLNFY-NVXWUHKLSA-N 1 2 356.363 3.363 20 30 FGEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000579004877 506072064 /nfs/dbraw/zinc/07/20/64/506072064.db2.gz QPXLOEUQOBLDGZ-UHFFFAOYSA-N 1 2 367.428 3.008 20 30 FGEDLO Cc1nc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(Cl)cc1C#N ZINC000290951156 498734308 /nfs/dbraw/zinc/73/43/08/498734308.db2.gz LZIYALMYODIPAL-LBPRGKRZSA-N 1 2 357.845 3.147 20 30 FGEDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000315634417 498783747 /nfs/dbraw/zinc/78/37/47/498783747.db2.gz VDZZALQGPDMUMK-HNNXBMFYSA-N 1 2 351.244 3.238 20 30 FGEDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000315634417 498783752 /nfs/dbraw/zinc/78/37/52/498783752.db2.gz VDZZALQGPDMUMK-HNNXBMFYSA-N 1 2 351.244 3.238 20 30 FGEDLO N#CCc1ccc(CS(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC000579122809 506099990 /nfs/dbraw/zinc/09/99/90/506099990.db2.gz YIPIJPMBLBBPJE-UHFFFAOYSA-N 1 2 369.368 3.046 20 30 FGEDLO C[N@H+](CCCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298752084 498869511 /nfs/dbraw/zinc/86/95/11/498869511.db2.gz MSLCUMBGIIUKEB-SFHVURJKSA-N 1 2 374.444 3.076 20 30 FGEDLO C[N@@H+](CCCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298752084 498869516 /nfs/dbraw/zinc/86/95/16/498869516.db2.gz MSLCUMBGIIUKEB-SFHVURJKSA-N 1 2 374.444 3.076 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCN(c3ccc(F)cc3)C1=O)CCC2 ZINC000328641049 498886782 /nfs/dbraw/zinc/88/67/82/498886782.db2.gz CYVVQKQWXWFAMC-WMLDXEAASA-N 1 2 370.428 3.218 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cn2c(n1)CCCC2 ZINC000328653673 498889583 /nfs/dbraw/zinc/88/95/83/498889583.db2.gz CIMLGNIRDYQRKT-UHFFFAOYSA-N 1 2 353.470 3.500 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCC(F)(F)C2)cn1 ZINC000328658484 498892354 /nfs/dbraw/zinc/89/23/54/498892354.db2.gz RCZWSVHKEJFMCP-KKUMJFAQSA-N 1 2 358.408 3.115 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCC(F)(F)C2)cn1 ZINC000328658484 498892362 /nfs/dbraw/zinc/89/23/62/498892362.db2.gz RCZWSVHKEJFMCP-KKUMJFAQSA-N 1 2 358.408 3.115 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328738730 498921556 /nfs/dbraw/zinc/92/15/56/498921556.db2.gz MHJAJUQZKWDKEM-KBPBESRZSA-N 1 2 370.419 3.414 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)[NH+]1CCSCC1 ZINC000328771841 498932590 /nfs/dbraw/zinc/93/25/90/498932590.db2.gz HAFSTVBSYIUCFM-NSHDSACASA-N 1 2 368.890 3.099 20 30 FGEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000295175119 498933868 /nfs/dbraw/zinc/93/38/68/498933868.db2.gz OYJPOFOWKGMKQC-UHFFFAOYSA-N 1 2 373.478 3.366 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCO1 ZINC000328837638 498956758 /nfs/dbraw/zinc/95/67/58/498956758.db2.gz TVFUXRDQKONALD-HNNXBMFYSA-N 1 2 352.504 3.175 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000283757782 498976353 /nfs/dbraw/zinc/97/63/53/498976353.db2.gz MFNDVNHHRKJGGN-MSOLQXFVSA-N 1 2 372.432 3.162 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000283757782 498976363 /nfs/dbraw/zinc/97/63/63/498976363.db2.gz MFNDVNHHRKJGGN-MSOLQXFVSA-N 1 2 372.432 3.162 20 30 FGEDLO CO[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000328902729 498979763 /nfs/dbraw/zinc/97/97/63/498979763.db2.gz GYHYVXDKIGESGN-DZGCQCFKSA-N 1 2 352.504 3.031 20 30 FGEDLO CO[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000328902729 498979772 /nfs/dbraw/zinc/97/97/72/498979772.db2.gz GYHYVXDKIGESGN-DZGCQCFKSA-N 1 2 352.504 3.031 20 30 FGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959453 498998417 /nfs/dbraw/zinc/99/84/17/498998417.db2.gz OZVHLFHHDAGNCX-UKRRQHHQSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959453 498998420 /nfs/dbraw/zinc/99/84/20/498998420.db2.gz OZVHLFHHDAGNCX-UKRRQHHQSA-N 1 2 361.442 3.167 20 30 FGEDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363807505 499002940 /nfs/dbraw/zinc/00/29/40/499002940.db2.gz WGIHXBYXYJKJTB-LLVKDONJSA-N 1 2 368.422 3.174 20 30 FGEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329007780 499013814 /nfs/dbraw/zinc/01/38/14/499013814.db2.gz NMARFRBJCRKTEL-GBESFXJTSA-N 1 2 371.529 3.162 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(F)c1 ZINC000329039345 499023054 /nfs/dbraw/zinc/02/30/54/499023054.db2.gz SHWRGXBCAKWPJV-XKQJLSEDSA-N 1 2 362.449 3.192 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(F)c1 ZINC000329039345 499023060 /nfs/dbraw/zinc/02/30/60/499023060.db2.gz SHWRGXBCAKWPJV-XKQJLSEDSA-N 1 2 362.449 3.192 20 30 FGEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329068398 499031818 /nfs/dbraw/zinc/03/18/18/499031818.db2.gz XNBCSQYQABIQOG-MRXNPFEDSA-N 1 2 368.481 3.402 20 30 FGEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329068398 499031822 /nfs/dbraw/zinc/03/18/22/499031822.db2.gz XNBCSQYQABIQOG-MRXNPFEDSA-N 1 2 368.481 3.402 20 30 FGEDLO CC(=O)N1CC[NH+](CCNC(=O)C2(c3cccc(C)c3)CCCCC2)CC1 ZINC000329121973 499049413 /nfs/dbraw/zinc/04/94/13/499049413.db2.gz WLVPIWQJXVUFRF-UHFFFAOYSA-N 1 2 371.525 3.318 20 30 FGEDLO O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000329141066 499053277 /nfs/dbraw/zinc/05/32/77/499053277.db2.gz JYUAQMXAZAYPAI-DOTOQJQBSA-N 1 2 367.453 3.031 20 30 FGEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329228790 499078272 /nfs/dbraw/zinc/07/82/72/499078272.db2.gz IXRQBFMLLIHKKO-MRXNPFEDSA-N 1 2 373.888 3.435 20 30 FGEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329228790 499078276 /nfs/dbraw/zinc/07/82/76/499078276.db2.gz IXRQBFMLLIHKKO-MRXNPFEDSA-N 1 2 373.888 3.435 20 30 FGEDLO CC(C)[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000329233204 499079647 /nfs/dbraw/zinc/07/96/47/499079647.db2.gz GRQLQGVFGRPVBX-HNNXBMFYSA-N 1 2 352.504 3.031 20 30 FGEDLO CCOC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCCC1 ZINC000329241227 499082237 /nfs/dbraw/zinc/08/22/37/499082237.db2.gz NKNBLYSNCHUWNP-UHFFFAOYSA-N 1 2 358.442 3.337 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)COc1cccc(F)c1)C2 ZINC000329245281 499082996 /nfs/dbraw/zinc/08/29/96/499082996.db2.gz ADRXYUXFKXLBBB-CQSZACIVSA-N 1 2 374.460 3.422 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366838883 499090327 /nfs/dbraw/zinc/09/03/27/499090327.db2.gz LPULUGOZTASKAZ-RLCCDNCMSA-N 1 2 352.841 3.025 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366838883 499090330 /nfs/dbraw/zinc/09/03/30/499090330.db2.gz LPULUGOZTASKAZ-RLCCDNCMSA-N 1 2 352.841 3.025 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848373 499093561 /nfs/dbraw/zinc/09/35/61/499093561.db2.gz WOVZYXNMCXBYOF-ZWKOTPCHSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848373 499093566 /nfs/dbraw/zinc/09/35/66/499093566.db2.gz WOVZYXNMCXBYOF-ZWKOTPCHSA-N 1 2 354.429 3.140 20 30 FGEDLO CN(CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)c1cccs1 ZINC000329316339 499097776 /nfs/dbraw/zinc/09/77/76/499097776.db2.gz CXAYNSKJDZLKAH-CYBMUJFWSA-N 1 2 374.510 3.286 20 30 FGEDLO C=CCc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc(OC)c1OC ZINC000295803037 499104578 /nfs/dbraw/zinc/10/45/78/499104578.db2.gz GGBPAPGSPPRGIA-GOSISDBHSA-N 1 2 369.465 3.389 20 30 FGEDLO C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329411783 499117041 /nfs/dbraw/zinc/11/70/41/499117041.db2.gz CFDBRUJMSCQROT-CXAGYDPISA-N 1 2 374.510 3.483 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)C1CCOCC1 ZINC000329417852 499118413 /nfs/dbraw/zinc/11/84/13/499118413.db2.gz DNBBXACUMGUQIT-CTXUPJPISA-N 1 2 372.513 3.312 20 30 FGEDLO COc1ccccc1C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329425336 499119423 /nfs/dbraw/zinc/11/94/23/499119423.db2.gz IMBRPINPPOMYRI-SFHVURJKSA-N 1 2 358.482 3.327 20 30 FGEDLO COc1ccccc1C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329425336 499119425 /nfs/dbraw/zinc/11/94/25/499119425.db2.gz IMBRPINPPOMYRI-SFHVURJKSA-N 1 2 358.482 3.327 20 30 FGEDLO CCN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000367057813 499141439 /nfs/dbraw/zinc/14/14/39/499141439.db2.gz NIBSOLFQPPOCGQ-UHFFFAOYSA-N 1 2 354.498 3.120 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000372564106 499146416 /nfs/dbraw/zinc/14/64/16/499146416.db2.gz MJHVMPOULNTDKO-LEWJYISDSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000372564106 499146417 /nfs/dbraw/zinc/14/64/17/499146417.db2.gz MJHVMPOULNTDKO-LEWJYISDSA-N 1 2 368.456 3.296 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369932112 499153682 /nfs/dbraw/zinc/15/36/82/499153682.db2.gz CJENVFRQCITBTE-GOSISDBHSA-N 1 2 360.502 3.480 20 30 FGEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367208353 499161877 /nfs/dbraw/zinc/16/18/77/499161877.db2.gz JHIGBLUVEJWZLX-INIZCTEOSA-N 1 2 363.465 3.452 20 30 FGEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367208353 499161879 /nfs/dbraw/zinc/16/18/79/499161879.db2.gz JHIGBLUVEJWZLX-INIZCTEOSA-N 1 2 363.465 3.452 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000367258855 499169171 /nfs/dbraw/zinc/16/91/71/499169171.db2.gz SPYRKSKGIPERSQ-CTNGQTDRSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000367258855 499169173 /nfs/dbraw/zinc/16/91/73/499169173.db2.gz SPYRKSKGIPERSQ-CTNGQTDRSA-N 1 2 361.530 3.198 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000367433559 499198381 /nfs/dbraw/zinc/19/83/81/499198381.db2.gz YOEREFSHNRRVNS-UHFFFAOYSA-N 1 2 363.396 3.097 20 30 FGEDLO C=CCc1cc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)cc(OC)c1O ZINC000370299076 499206999 /nfs/dbraw/zinc/20/69/99/499206999.db2.gz RSJOUGPURPFPQQ-SFHVURJKSA-N 1 2 373.453 3.078 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cc(C#N)ncn1 ZINC000573186721 506138774 /nfs/dbraw/zinc/13/87/74/506138774.db2.gz XWEFOYWYXJZGBA-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO C#Cc1ccc(C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000368030846 499257205 /nfs/dbraw/zinc/25/72/05/499257205.db2.gz PXKAYVCAJDFPAU-NRFANRHFSA-N 1 2 361.445 3.298 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2cnn(C)c2)nc1)c1ccc(Cl)cc1F ZINC000368039852 499258490 /nfs/dbraw/zinc/25/84/90/499258490.db2.gz SEMGYPBSKKBIMY-QGZVFWFLSA-N 1 2 355.804 3.134 20 30 FGEDLO N#Cc1ccccc1OCc1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000368049391 499259582 /nfs/dbraw/zinc/25/95/82/499259582.db2.gz VEMDWSATJNHSON-SFHVURJKSA-N 1 2 368.437 3.226 20 30 FGEDLO N#Cc1ccccc1OCc1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000368049391 499259583 /nfs/dbraw/zinc/25/95/83/499259583.db2.gz VEMDWSATJNHSON-SFHVURJKSA-N 1 2 368.437 3.226 20 30 FGEDLO Cc1cc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)cs1 ZINC000369002965 499355789 /nfs/dbraw/zinc/35/57/89/499355789.db2.gz SBZPLTSWNQHCAM-MRXNPFEDSA-N 1 2 360.504 3.191 20 30 FGEDLO Cc1cc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)cs1 ZINC000369002965 499355791 /nfs/dbraw/zinc/35/57/91/499355791.db2.gz SBZPLTSWNQHCAM-MRXNPFEDSA-N 1 2 360.504 3.191 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000371809911 499367838 /nfs/dbraw/zinc/36/78/38/499367838.db2.gz PTBDAZLILDFPNX-UHFFFAOYSA-N 1 2 372.494 3.116 20 30 FGEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369202708 499376869 /nfs/dbraw/zinc/37/68/69/499376869.db2.gz ADZSJFOMKVWJRE-QGZVFWFLSA-N 1 2 354.498 3.024 20 30 FGEDLO N#C[C@@]1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCc2ccccc2C1 ZINC000371924999 499379986 /nfs/dbraw/zinc/37/99/86/499379986.db2.gz FEBJAASAAAWROX-OAQYLSRUSA-N 1 2 355.401 3.258 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccn1 ZINC000372152021 499403678 /nfs/dbraw/zinc/40/36/78/499403678.db2.gz CBKUPMPHRJNTDI-OAQYLSRUSA-N 1 2 353.466 3.194 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@]12c1ccccc1NC2=O ZINC000369515022 499411490 /nfs/dbraw/zinc/41/14/90/499411490.db2.gz GJFBXODYKAQTLS-OPAMFIHVSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@]12c1ccccc1NC2=O ZINC000369515022 499411492 /nfs/dbraw/zinc/41/14/92/499411492.db2.gz GJFBXODYKAQTLS-OPAMFIHVSA-N 1 2 354.413 3.080 20 30 FGEDLO COc1cccc([C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)c2nccn2C)c1 ZINC000369673211 499434950 /nfs/dbraw/zinc/43/49/50/499434950.db2.gz CTXLRYNSKMYMOI-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373409025 499468149 /nfs/dbraw/zinc/46/81/49/499468149.db2.gz ZVBZSHRZKZCAND-LBPRGKRZSA-N 1 2 371.395 3.293 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378203219 499490103 /nfs/dbraw/zinc/49/01/03/499490103.db2.gz SOUVAMQRPSAQOJ-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378203219 499490104 /nfs/dbraw/zinc/49/01/04/499490104.db2.gz SOUVAMQRPSAQOJ-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(-c2ccc(F)cc2)no1 ZINC000376843004 499640120 /nfs/dbraw/zinc/64/01/20/499640120.db2.gz OVCKESNXOFFHNL-SNVBAGLBSA-N 1 2 371.397 3.098 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccnc4)CCCC3)CC2)cc1 ZINC000377343587 499681492 /nfs/dbraw/zinc/68/14/92/499681492.db2.gz FCHFVAWZHVDOQX-UHFFFAOYSA-N 1 2 374.488 3.109 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000411125757 499700568 /nfs/dbraw/zinc/70/05/68/499700568.db2.gz LUTVLJMGNCWBRM-RBBKRZOGSA-N 1 2 363.436 3.087 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000411125758 499700647 /nfs/dbraw/zinc/70/06/47/499700647.db2.gz LUTVLJMGNCWBRM-UNMCSNQZSA-N 1 2 363.436 3.087 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000378134620 499760438 /nfs/dbraw/zinc/76/04/38/499760438.db2.gz UWXCZURJOJNFAJ-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000378134620 499760439 /nfs/dbraw/zinc/76/04/39/499760439.db2.gz UWXCZURJOJNFAJ-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000412089557 499822190 /nfs/dbraw/zinc/82/21/90/499822190.db2.gz IVAQXLXGFXJZOE-UHFFFAOYSA-N 1 2 354.416 3.100 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413144568 499919425 /nfs/dbraw/zinc/91/94/25/499919425.db2.gz QGOXZGBKMZMNGY-OAHLLOKOSA-N 1 2 351.410 3.053 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)[nH+]cn2)C1 ZINC000413206139 499926671 /nfs/dbraw/zinc/92/66/71/499926671.db2.gz PJMHQVAXQNAHCG-RYQLBKOJSA-N 1 2 351.454 3.141 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H](CCC#N)c3ccccc3)nc[nH+]2)C1 ZINC000413206139 499926673 /nfs/dbraw/zinc/92/66/73/499926673.db2.gz PJMHQVAXQNAHCG-RYQLBKOJSA-N 1 2 351.454 3.141 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)nc1 ZINC000413221159 499928731 /nfs/dbraw/zinc/92/87/31/499928731.db2.gz SDZXHPOWDFAJAI-UHFFFAOYSA-N 1 2 350.426 3.120 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)nc1 ZINC000413221159 499928732 /nfs/dbraw/zinc/92/87/32/499928732.db2.gz SDZXHPOWDFAJAI-UHFFFAOYSA-N 1 2 350.426 3.120 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429205756 500023739 /nfs/dbraw/zinc/02/37/39/500023739.db2.gz CXVOURRYSGNVKM-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000425212254 500044722 /nfs/dbraw/zinc/04/47/22/500044722.db2.gz ZOSAUHXDNIUYTA-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425221880 500047827 /nfs/dbraw/zinc/04/78/27/500047827.db2.gz HNPKAVLBLLKBMA-UHFFFAOYSA-N 1 2 358.804 3.017 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000421605804 500091464 /nfs/dbraw/zinc/09/14/64/500091464.db2.gz XDTDACHDYXZMDO-SFHVURJKSA-N 1 2 357.454 3.430 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000421605804 500091467 /nfs/dbraw/zinc/09/14/67/500091467.db2.gz XDTDACHDYXZMDO-SFHVURJKSA-N 1 2 357.454 3.430 20 30 FGEDLO COC(=O)[C@H](CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419834 500100482 /nfs/dbraw/zinc/10/04/82/500100482.db2.gz LNWNCSVYBOLONT-NHCUHLMSSA-N 1 2 364.445 3.278 20 30 FGEDLO COC(=O)[C@H](CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419834 500100486 /nfs/dbraw/zinc/10/04/86/500100486.db2.gz LNWNCSVYBOLONT-NHCUHLMSSA-N 1 2 364.445 3.278 20 30 FGEDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC2 ZINC000429577075 500106293 /nfs/dbraw/zinc/10/62/93/500106293.db2.gz OCSFWZSBZDQOPM-UHFFFAOYSA-N 1 2 371.444 3.049 20 30 FGEDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC2 ZINC000429577075 500106297 /nfs/dbraw/zinc/10/62/97/500106297.db2.gz OCSFWZSBZDQOPM-UHFFFAOYSA-N 1 2 371.444 3.049 20 30 FGEDLO CCOC(=O)c1c(NC(=O)C[NH2+][C@H](CC)CC#N)sc(C)c1CC ZINC000576526989 506178862 /nfs/dbraw/zinc/17/88/62/506178862.db2.gz MJNJBLWCMMLXKD-GFCCVEGCSA-N 1 2 351.472 3.016 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ncc(C#N)cc1Cl ZINC000427912297 500444881 /nfs/dbraw/zinc/44/48/81/500444881.db2.gz GJVDFYOCMWEEBO-UHFFFAOYSA-N 1 2 353.813 3.085 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217250 500482886 /nfs/dbraw/zinc/48/28/86/500482886.db2.gz RYFGJGUWXSPMBF-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217250 500482887 /nfs/dbraw/zinc/48/28/87/500482887.db2.gz RYFGJGUWXSPMBF-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217250 500482890 /nfs/dbraw/zinc/48/28/90/500482890.db2.gz RYFGJGUWXSPMBF-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)nn1 ZINC000424296263 500483412 /nfs/dbraw/zinc/48/34/12/500483412.db2.gz OBIPDSFPTYCTFM-OAHLLOKOSA-N 1 2 351.223 3.143 20 30 FGEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000428420533 500508155 /nfs/dbraw/zinc/50/81/55/500508155.db2.gz NWQAHEGKPXQCIL-MRXNPFEDSA-N 1 2 358.449 3.088 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428466060 500513215 /nfs/dbraw/zinc/51/32/15/500513215.db2.gz UXOHMOYODTXHDE-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO CC[N@H+](CCOc1ccccc1C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000420973072 500544066 /nfs/dbraw/zinc/54/40/66/500544066.db2.gz LRLNGDWYGYWVOA-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO CC[N@@H+](CCOc1ccccc1C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000420973072 500544070 /nfs/dbraw/zinc/54/40/70/500544070.db2.gz LRLNGDWYGYWVOA-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(Br)c3)C2)nc1 ZINC000428771657 500555554 /nfs/dbraw/zinc/55/55/54/500555554.db2.gz IKIFGUYMEKZKTG-ZDUSSCGKSA-N 1 2 364.268 3.431 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(Br)c3)C2)nc1 ZINC000428771657 500555556 /nfs/dbraw/zinc/55/55/56/500555556.db2.gz IKIFGUYMEKZKTG-ZDUSSCGKSA-N 1 2 364.268 3.431 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c(Cl)c1Cl ZINC000432746128 500556520 /nfs/dbraw/zinc/55/65/20/500556520.db2.gz AWMBAFNAMCFAFT-UHFFFAOYSA-N 1 2 360.260 3.180 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810537 500560328 /nfs/dbraw/zinc/56/03/28/500560328.db2.gz YEGWGWBKKLGCPV-CQSZACIVSA-N 1 2 371.824 3.047 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810537 500560330 /nfs/dbraw/zinc/56/03/30/500560330.db2.gz YEGWGWBKKLGCPV-CQSZACIVSA-N 1 2 371.824 3.047 20 30 FGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000442792899 500626967 /nfs/dbraw/zinc/62/69/67/500626967.db2.gz AEUPRNMIJOFTSF-UHFFFAOYSA-N 1 2 363.461 3.087 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442802303 500627337 /nfs/dbraw/zinc/62/73/37/500627337.db2.gz RZAHVAPOIYFOOD-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442802303 500627339 /nfs/dbraw/zinc/62/73/39/500627339.db2.gz RZAHVAPOIYFOOD-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000570627721 506207325 /nfs/dbraw/zinc/20/73/25/506207325.db2.gz WZQKGKYYIAWEOJ-BHYGNILZSA-N 1 2 374.872 3.053 20 30 FGEDLO C=CCN(Cc1cn2ccccc2[nH+]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438266784 500760885 /nfs/dbraw/zinc/76/08/85/500760885.db2.gz NHKBMNIAYTVFKH-FQEVSTJZSA-N 1 2 363.461 3.497 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(C2CCCCC2)cs1 ZINC000444651077 500873493 /nfs/dbraw/zinc/87/34/93/500873493.db2.gz QCQJMEGVVJFUOV-UHFFFAOYSA-N 1 2 362.543 3.239 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448954840 500879639 /nfs/dbraw/zinc/87/96/39/500879639.db2.gz KOCVYGSGQKYHDU-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448954840 500879642 /nfs/dbraw/zinc/87/96/42/500879642.db2.gz KOCVYGSGQKYHDU-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000444717906 500886579 /nfs/dbraw/zinc/88/65/79/500886579.db2.gz JIYXVLUNZNYABW-WMLDXEAASA-N 1 2 358.404 3.109 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000444717906 500886581 /nfs/dbraw/zinc/88/65/81/500886581.db2.gz JIYXVLUNZNYABW-WMLDXEAASA-N 1 2 358.404 3.109 20 30 FGEDLO CCOc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000444764098 500895137 /nfs/dbraw/zinc/89/51/37/500895137.db2.gz AXOKUUAWUDEYHP-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444775362 500897567 /nfs/dbraw/zinc/89/75/67/500897567.db2.gz ICFSHHNTINECLA-GJZGRUSLSA-N 1 2 362.905 3.027 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)CSCc3ccc(C#N)cc3)cn21 ZINC000592745510 506226213 /nfs/dbraw/zinc/22/62/13/506226213.db2.gz GZCYTIPAGUYXFU-UHFFFAOYSA-N 1 2 364.474 3.107 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000445842775 501039832 /nfs/dbraw/zinc/03/98/32/501039832.db2.gz MLNRYLIJGBZMIL-UHFFFAOYSA-N 1 2 354.479 3.065 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000445842775 501039836 /nfs/dbraw/zinc/03/98/36/501039836.db2.gz MLNRYLIJGBZMIL-UHFFFAOYSA-N 1 2 354.479 3.065 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000449950473 501134970 /nfs/dbraw/zinc/13/49/70/501134970.db2.gz IGQBXGPIVHYTQG-QRQLOZEOSA-N 1 2 364.436 3.151 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450252362 501219297 /nfs/dbraw/zinc/21/92/97/501219297.db2.gz YKUGERPABWPLMY-UHFFFAOYSA-N 1 2 361.449 3.342 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451160491 501249096 /nfs/dbraw/zinc/24/90/96/501249096.db2.gz UVZHGVDIIVACLF-MRXNPFEDSA-N 1 2 360.816 3.149 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451160491 501249097 /nfs/dbraw/zinc/24/90/97/501249097.db2.gz UVZHGVDIIVACLF-MRXNPFEDSA-N 1 2 360.816 3.149 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(C#N)c1Br ZINC000451406457 501284867 /nfs/dbraw/zinc/28/48/67/501284867.db2.gz RULPYYDICXVTFC-UHFFFAOYSA-N 1 2 373.254 3.126 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000455454213 501306780 /nfs/dbraw/zinc/30/67/80/501306780.db2.gz BTIMDQQGBRLIBV-HNNXBMFYSA-N 1 2 367.453 3.089 20 30 FGEDLO N#Cc1ncc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000455775487 501383692 /nfs/dbraw/zinc/38/36/92/501383692.db2.gz DNIUITLELFNVIO-UHFFFAOYSA-N 1 2 370.844 3.314 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451875912 501390789 /nfs/dbraw/zinc/39/07/89/501390789.db2.gz DSNZTWDTAUFELC-CRAIPNDOSA-N 1 2 353.470 3.098 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451875912 501390790 /nfs/dbraw/zinc/39/07/90/501390790.db2.gz DSNZTWDTAUFELC-CRAIPNDOSA-N 1 2 353.470 3.098 20 30 FGEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c[nH+]1 ZINC000454020747 501444607 /nfs/dbraw/zinc/44/46/07/501444607.db2.gz CPTNTSSCNPSLPD-UHFFFAOYSA-N 1 2 370.478 3.184 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000456396454 501516978 /nfs/dbraw/zinc/51/69/78/501516978.db2.gz SLDHCKKPBQNQJT-CQSZACIVSA-N 1 2 357.483 3.064 20 30 FGEDLO C=CC(C)(C)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000452779477 501560569 /nfs/dbraw/zinc/56/05/69/501560569.db2.gz UDGRWQGJHGYPAA-UHFFFAOYSA-N 1 2 353.466 3.485 20 30 FGEDLO N#CCc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000456741791 501590635 /nfs/dbraw/zinc/59/06/35/501590635.db2.gz ZAQJBICWAYPXJN-LJQANCHMSA-N 1 2 351.475 3.481 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000596109085 506264264 /nfs/dbraw/zinc/26/42/64/506264264.db2.gz FLOJEZBQTGTABU-QGZVFWFLSA-N 1 2 369.444 3.422 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459631612 501690089 /nfs/dbraw/zinc/69/00/89/501690089.db2.gz IPYKKNAPQVNNRJ-MNOVXSKESA-N 1 2 358.467 3.391 20 30 FGEDLO CC[C@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463507080 501746552 /nfs/dbraw/zinc/74/65/52/501746552.db2.gz XEQCWJJKYYDPDA-SFTDATJTSA-N 1 2 369.509 3.188 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000463752074 501812273 /nfs/dbraw/zinc/81/22/73/501812273.db2.gz BLRJOHNJBAQXEV-UHFFFAOYSA-N 1 2 363.417 3.376 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460565501 501862988 /nfs/dbraw/zinc/86/29/88/501862988.db2.gz YZNOBTBCBZDREA-UHFFFAOYSA-N 1 2 354.502 3.301 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000478425754 501978171 /nfs/dbraw/zinc/97/81/71/501978171.db2.gz IFLCFTRYIGMMNO-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000478425754 501978178 /nfs/dbraw/zinc/97/81/78/501978178.db2.gz IFLCFTRYIGMMNO-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485905339 501984218 /nfs/dbraw/zinc/98/42/18/501984218.db2.gz IRKJMJFUXNECED-GOSISDBHSA-N 1 2 353.384 3.184 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485905339 501984225 /nfs/dbraw/zinc/98/42/25/501984225.db2.gz IRKJMJFUXNECED-GOSISDBHSA-N 1 2 353.384 3.184 20 30 FGEDLO CCN(CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000475160248 502086627 /nfs/dbraw/zinc/08/66/27/502086627.db2.gz WDMUFVZIIBQRTK-QGZVFWFLSA-N 1 2 355.404 3.206 20 30 FGEDLO CCN(CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000475160248 502086636 /nfs/dbraw/zinc/08/66/36/502086636.db2.gz WDMUFVZIIBQRTK-QGZVFWFLSA-N 1 2 355.404 3.206 20 30 FGEDLO CCN(CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000475160242 502086737 /nfs/dbraw/zinc/08/67/37/502086737.db2.gz WDMUFVZIIBQRTK-KRWDZBQOSA-N 1 2 355.404 3.206 20 30 FGEDLO CCN(CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(F)(F)F ZINC000475160242 502086746 /nfs/dbraw/zinc/08/67/46/502086746.db2.gz WDMUFVZIIBQRTK-KRWDZBQOSA-N 1 2 355.404 3.206 20 30 FGEDLO CC(C)n1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475355912 502146548 /nfs/dbraw/zinc/14/65/48/502146548.db2.gz QFFQPJNIZLKIBJ-LJQANCHMSA-N 1 2 357.889 3.500 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461960778 502253820 /nfs/dbraw/zinc/25/38/20/502253820.db2.gz SQEZRCZRDVZLPK-RKVPGOIHSA-N 1 2 360.889 3.420 20 30 FGEDLO Cc1cc(Br)cn2cc(CNC(=O)CCCCCC#N)[nH+]c12 ZINC000588679438 506305253 /nfs/dbraw/zinc/30/52/53/506305253.db2.gz QIOPYXIAXNTYLH-UHFFFAOYSA-N 1 2 363.259 3.496 20 30 FGEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1CCN(CCC#N)CC1 ZINC000602797049 506304235 /nfs/dbraw/zinc/30/42/35/506304235.db2.gz GGJHIMKQDKVNHX-MRXNPFEDSA-N 1 2 361.449 3.482 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000582577500 506305381 /nfs/dbraw/zinc/30/53/81/506305381.db2.gz UBQJCIFZTQIEIA-LJQANCHMSA-N 1 2 374.529 3.078 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000582577500 506305386 /nfs/dbraw/zinc/30/53/86/506305386.db2.gz UBQJCIFZTQIEIA-LJQANCHMSA-N 1 2 374.529 3.078 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000479758415 502367325 /nfs/dbraw/zinc/36/73/25/502367325.db2.gz WZWURTBQYKBKAP-UHFFFAOYSA-N 1 2 363.461 3.060 20 30 FGEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000483532502 502422642 /nfs/dbraw/zinc/42/26/42/502422642.db2.gz WPGLZYQCKXAPHG-UHFFFAOYSA-N 1 2 358.392 3.185 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(CC4CC4)no3)CC2)c(F)c1 ZINC000602827535 506316855 /nfs/dbraw/zinc/31/68/55/506316855.db2.gz KTIJCNFAAREJLT-UHFFFAOYSA-N 1 2 356.401 3.076 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2cccs2)CC1 ZINC000466462399 502577644 /nfs/dbraw/zinc/57/76/44/502577644.db2.gz CSDQOSKOZCNRMJ-OHTSDLOESA-N 1 2 374.554 3.189 20 30 FGEDLO C[C@H]1C[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@H](C)N1CC#N ZINC000602856133 506326673 /nfs/dbraw/zinc/32/66/73/506326673.db2.gz IYUWDJVFACXOLD-KBPBESRZSA-N 1 2 371.510 3.095 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854212 506326871 /nfs/dbraw/zinc/32/68/71/506326871.db2.gz NZMAVHJOKQQCSF-HZSPNIEDSA-N 1 2 359.474 3.323 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854212 506326874 /nfs/dbraw/zinc/32/68/74/506326874.db2.gz NZMAVHJOKQQCSF-HZSPNIEDSA-N 1 2 359.474 3.323 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000488302611 502680630 /nfs/dbraw/zinc/68/06/30/502680630.db2.gz XSBIXQJWCMJBJN-UHFFFAOYSA-N 1 2 361.405 3.104 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602850286 506328104 /nfs/dbraw/zinc/32/81/04/506328104.db2.gz FDYXXCFOSYYAFJ-INIZCTEOSA-N 1 2 351.328 3.211 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602850286 506328109 /nfs/dbraw/zinc/32/81/09/506328109.db2.gz FDYXXCFOSYYAFJ-INIZCTEOSA-N 1 2 351.328 3.211 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858050 506329673 /nfs/dbraw/zinc/32/96/73/506329673.db2.gz YCKWLORZEBQERP-KSZLIROESA-N 1 2 356.514 3.364 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858050 506329678 /nfs/dbraw/zinc/32/96/78/506329678.db2.gz YCKWLORZEBQERP-KSZLIROESA-N 1 2 356.514 3.364 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000481058523 502742891 /nfs/dbraw/zinc/74/28/91/502742891.db2.gz OLXWKPCFASAZHL-CYBMUJFWSA-N 1 2 363.177 3.210 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000481058523 502742897 /nfs/dbraw/zinc/74/28/97/502742897.db2.gz OLXWKPCFASAZHL-CYBMUJFWSA-N 1 2 363.177 3.210 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)CCC#N)CC2)cc1 ZINC000513108724 502854169 /nfs/dbraw/zinc/85/41/69/502854169.db2.gz RPKQGZQTHKUUQP-UHFFFAOYSA-N 1 2 372.513 3.242 20 30 FGEDLO COc1ccc(C(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000509393256 502891470 /nfs/dbraw/zinc/89/14/70/502891470.db2.gz OIHXTKKOKANQEX-OAQYLSRUSA-N 1 2 363.461 3.150 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N(C)CC(C)(C)C#N)c2C1 ZINC000497349897 502937247 /nfs/dbraw/zinc/93/72/47/502937247.db2.gz IEYBEUCHZNVTAB-UHFFFAOYSA-N 1 2 350.466 3.235 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N(C)CC(C)(C)C#N)c2C1 ZINC000497349897 502937250 /nfs/dbraw/zinc/93/72/50/502937250.db2.gz IEYBEUCHZNVTAB-UHFFFAOYSA-N 1 2 350.466 3.235 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(F)(C#N)CC3)n2)C1 ZINC000513502509 502954413 /nfs/dbraw/zinc/95/44/13/502954413.db2.gz AHKWFARSCKGTEJ-CYBMUJFWSA-N 1 2 365.478 3.235 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(F)(C#N)CC3)n2)C1 ZINC000513502509 502954416 /nfs/dbraw/zinc/95/44/16/502954416.db2.gz AHKWFARSCKGTEJ-CYBMUJFWSA-N 1 2 365.478 3.235 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2scnc2C)c1C ZINC000489447400 502960634 /nfs/dbraw/zinc/96/06/34/502960634.db2.gz IFLLNOGWVJMQTA-UHFFFAOYSA-N 1 2 361.511 3.387 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2scnc2C)c1C ZINC000489447400 502960638 /nfs/dbraw/zinc/96/06/38/502960638.db2.gz IFLLNOGWVJMQTA-UHFFFAOYSA-N 1 2 361.511 3.387 20 30 FGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501265171 502969923 /nfs/dbraw/zinc/96/99/23/502969923.db2.gz DGOKVLJPFKBTNU-UHFFFAOYSA-N 1 2 351.450 3.288 20 30 FGEDLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602908079 506345556 /nfs/dbraw/zinc/34/55/56/506345556.db2.gz ZCQIHSZVCDKZHY-UHFFFAOYSA-N 1 2 369.490 3.126 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677323 502998288 /nfs/dbraw/zinc/99/82/88/502998288.db2.gz UQLJKIPUZYUIDC-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677323 502998293 /nfs/dbraw/zinc/99/82/93/502998293.db2.gz UQLJKIPUZYUIDC-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000513745732 503015324 /nfs/dbraw/zinc/01/53/24/503015324.db2.gz FWEDAIAJCKRVOX-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000513745732 503015327 /nfs/dbraw/zinc/01/53/27/503015327.db2.gz FWEDAIAJCKRVOX-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000489860395 503051449 /nfs/dbraw/zinc/05/14/49/503051449.db2.gz CGQSNHAUUSSOHR-WBVHZDCISA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000489860395 503051453 /nfs/dbraw/zinc/05/14/53/503051453.db2.gz CGQSNHAUUSSOHR-WBVHZDCISA-N 1 2 355.438 3.354 20 30 FGEDLO N#CC(CC[N@@H+]1CCN(C2CC2)C(=O)C1)(c1ccccc1)c1ccccc1 ZINC000501902990 503105060 /nfs/dbraw/zinc/10/50/60/503105060.db2.gz ZQFUJSZQJLOWHR-UHFFFAOYSA-N 1 2 359.473 3.193 20 30 FGEDLO N#CC(CC[N@H+]1CCN(C2CC2)C(=O)C1)(c1ccccc1)c1ccccc1 ZINC000501902990 503105064 /nfs/dbraw/zinc/10/50/64/503105064.db2.gz ZQFUJSZQJLOWHR-UHFFFAOYSA-N 1 2 359.473 3.193 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(OC(F)F)c1 ZINC000506384190 503106455 /nfs/dbraw/zinc/10/64/55/503106455.db2.gz HZCZXRKYWIOUCF-UHFFFAOYSA-N 1 2 373.403 3.490 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4c(F)ccc(F)c4C3)C2=O)cc1 ZINC000490101171 503109340 /nfs/dbraw/zinc/10/93/40/503109340.db2.gz JMRHPYUYINIEGY-FQEVSTJZSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4c(F)ccc(F)c4C3)C2=O)cc1 ZINC000490101171 503109343 /nfs/dbraw/zinc/10/93/43/503109343.db2.gz JMRHPYUYINIEGY-FQEVSTJZSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccnc(N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1Cl ZINC000588840070 506353641 /nfs/dbraw/zinc/35/36/41/506353641.db2.gz LTJDGSIXUYZAKX-HNNXBMFYSA-N 1 2 369.856 3.260 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1OC(C)C ZINC000506687847 503156330 /nfs/dbraw/zinc/15/63/30/503156330.db2.gz FQSVYGZCXYRLKE-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593050980 506360597 /nfs/dbraw/zinc/36/05/97/506360597.db2.gz RDSKEKUMNDAPRH-HNNXBMFYSA-N 1 2 373.522 3.256 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507284647 503268826 /nfs/dbraw/zinc/26/88/26/503268826.db2.gz LWSXRIDLHRUFTE-UHFFFAOYSA-N 1 2 358.445 3.353 20 30 FGEDLO N#Cc1ccc(CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C2CC2)cc1 ZINC000491921009 503337559 /nfs/dbraw/zinc/33/75/59/503337559.db2.gz MYRZEHMZYAHLQE-UHFFFAOYSA-N 1 2 372.432 3.395 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3ccccc3)c2C1 ZINC000515478823 503346768 /nfs/dbraw/zinc/34/67/68/503346768.db2.gz UWTZMBSQMSQTAM-UHFFFAOYSA-N 1 2 355.441 3.004 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3ccccc3)c2C1 ZINC000515478823 503346773 /nfs/dbraw/zinc/34/67/73/503346773.db2.gz UWTZMBSQMSQTAM-UHFFFAOYSA-N 1 2 355.441 3.004 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000515486561 503349130 /nfs/dbraw/zinc/34/91/30/503349130.db2.gz BCIDHQFLQUFMRL-GOSISDBHSA-N 1 2 358.829 3.101 20 30 FGEDLO N#CCC[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492238354 503360277 /nfs/dbraw/zinc/36/02/77/503360277.db2.gz VXGKSONTAVSGMY-SFHVURJKSA-N 1 2 360.421 3.493 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492634405 503378785 /nfs/dbraw/zinc/37/87/85/503378785.db2.gz YXTLLKJDJIXTCA-IBGZPJMESA-N 1 2 353.378 3.049 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492634405 503378786 /nfs/dbraw/zinc/37/87/86/503378786.db2.gz YXTLLKJDJIXTCA-IBGZPJMESA-N 1 2 353.378 3.049 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492658213 503378900 /nfs/dbraw/zinc/37/89/00/503378900.db2.gz LEGOOPHZCGPLBD-BEFAXECRSA-N 1 2 360.417 3.297 20 30 FGEDLO Cc1cc(N[C@@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)cc(C#N)n1 ZINC000515772074 503398617 /nfs/dbraw/zinc/39/86/17/503398617.db2.gz IYWMAQQRQHRQAS-CQSZACIVSA-N 1 2 365.387 3.252 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000508008893 503412618 /nfs/dbraw/zinc/41/26/18/503412618.db2.gz YRZROHFMYRAZPG-UHFFFAOYSA-N 1 2 369.469 3.019 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(Br)s2)C1=O ZINC000499618486 503443548 /nfs/dbraw/zinc/44/35/48/503443548.db2.gz JQQPWWDDIIKXDY-NEPJUHHUSA-N 1 2 355.301 3.434 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1=O ZINC000499618486 503443551 /nfs/dbraw/zinc/44/35/51/503443551.db2.gz JQQPWWDDIIKXDY-NEPJUHHUSA-N 1 2 355.301 3.434 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(CO)o1 ZINC000512164835 503474105 /nfs/dbraw/zinc/47/41/05/503474105.db2.gz PPZWXPIZYSQTBJ-UHFFFAOYSA-N 1 2 371.462 3.398 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccc(CO)o1 ZINC000512164835 503474110 /nfs/dbraw/zinc/47/41/10/503474110.db2.gz PPZWXPIZYSQTBJ-UHFFFAOYSA-N 1 2 371.462 3.398 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000512194016 503482134 /nfs/dbraw/zinc/48/21/34/503482134.db2.gz JUHNCBAWCOZSOA-MIALQEHNSA-N 1 2 362.514 3.479 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000512194016 503482137 /nfs/dbraw/zinc/48/21/37/503482137.db2.gz JUHNCBAWCOZSOA-MIALQEHNSA-N 1 2 362.514 3.479 20 30 FGEDLO COC(=O)c1cc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000603001968 506376980 /nfs/dbraw/zinc/37/69/80/506376980.db2.gz XMVXWOHQWQXJLF-UHFFFAOYSA-N 1 2 359.813 3.366 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512427711 503547877 /nfs/dbraw/zinc/54/78/77/503547877.db2.gz NEPSHQTXJVTYCA-OAQYLSRUSA-N 1 2 368.477 3.344 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(CO)o1 ZINC000512427711 503547880 /nfs/dbraw/zinc/54/78/80/503547880.db2.gz NEPSHQTXJVTYCA-OAQYLSRUSA-N 1 2 368.477 3.344 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000516692495 503570784 /nfs/dbraw/zinc/57/07/84/503570784.db2.gz SHKVPIAXBBISQC-WBVHZDCISA-N 1 2 354.372 3.347 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000516692495 503570788 /nfs/dbraw/zinc/57/07/88/503570788.db2.gz SHKVPIAXBBISQC-WBVHZDCISA-N 1 2 354.372 3.347 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000512536256 503579425 /nfs/dbraw/zinc/57/94/25/503579425.db2.gz HECOVMKSYICRLA-UHFFFAOYSA-N 1 2 351.454 3.352 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000512536256 503579431 /nfs/dbraw/zinc/57/94/31/503579431.db2.gz HECOVMKSYICRLA-UHFFFAOYSA-N 1 2 351.454 3.352 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)OC(F)(F)O4)CCO2)c1 ZINC000509022081 503621942 /nfs/dbraw/zinc/62/19/42/503621942.db2.gz JWVUWXDTZDVLMS-GOSISDBHSA-N 1 2 358.344 3.453 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)OC(F)(F)O4)CCO2)c1 ZINC000509022081 503621947 /nfs/dbraw/zinc/62/19/47/503621947.db2.gz JWVUWXDTZDVLMS-GOSISDBHSA-N 1 2 358.344 3.453 20 30 FGEDLO COc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000532919254 503656717 /nfs/dbraw/zinc/65/67/17/503656717.db2.gz UHSKONMNELXJIS-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000527048618 503657862 /nfs/dbraw/zinc/65/78/62/503657862.db2.gz BJZNCQGVRDPFHT-HUUCEWRRSA-N 1 2 361.873 3.134 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000527048618 503657867 /nfs/dbraw/zinc/65/78/67/503657867.db2.gz BJZNCQGVRDPFHT-HUUCEWRRSA-N 1 2 361.873 3.134 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000540488093 503789060 /nfs/dbraw/zinc/78/90/60/503789060.db2.gz KIWHVJBUSASELU-QUCCMNQESA-N 1 2 359.514 3.412 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C#N)C3CCCCC3)c2)cc[nH+]1 ZINC000543587962 503821405 /nfs/dbraw/zinc/82/14/05/503821405.db2.gz NGWWAURYAVMDEL-IBGZPJMESA-N 1 2 363.465 3.021 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000533716172 503932678 /nfs/dbraw/zinc/93/26/78/503932678.db2.gz DJUDETVLDZYBDX-PZJWPPBQSA-N 1 2 374.525 3.107 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CC(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952023 503948466 /nfs/dbraw/zinc/94/84/66/503948466.db2.gz XQBCJVRKUXBEOW-QVFFJNPMSA-N 1 2 365.399 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CC(C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952023 503948470 /nfs/dbraw/zinc/94/84/70/503948470.db2.gz XQBCJVRKUXBEOW-QVFFJNPMSA-N 1 2 365.399 3.295 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000540959085 503954551 /nfs/dbraw/zinc/95/45/51/503954551.db2.gz DPVQEEHMGGGKDP-CQSZACIVSA-N 1 2 369.481 3.148 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000540959085 503954554 /nfs/dbraw/zinc/95/45/54/503954554.db2.gz DPVQEEHMGGGKDP-CQSZACIVSA-N 1 2 369.481 3.148 20 30 FGEDLO N#CCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000540977249 503963332 /nfs/dbraw/zinc/96/33/32/503963332.db2.gz MQMCWUGADGNJHM-CQSZACIVSA-N 1 2 366.248 3.251 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480301 503980369 /nfs/dbraw/zinc/98/03/69/503980369.db2.gz UKTAQLVADRWDIL-KRWDZBQOSA-N 1 2 364.428 3.160 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480142 503981017 /nfs/dbraw/zinc/98/10/17/503981017.db2.gz VVGVMZLEHHQZBV-GOSISDBHSA-N 1 2 360.465 3.330 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCC2 ZINC000544283535 504072352 /nfs/dbraw/zinc/07/23/52/504072352.db2.gz FVDUXYDHZDQGPQ-SFHVURJKSA-N 1 2 363.465 3.315 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000530751317 504074498 /nfs/dbraw/zinc/07/44/98/504074498.db2.gz VBJZKXSSVTYJQP-RBUKOAKNSA-N 1 2 359.433 3.316 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)C2 ZINC000547745869 504209889 /nfs/dbraw/zinc/20/98/89/504209889.db2.gz VRQHSKFQKPIYQX-KRWDZBQOSA-N 1 2 362.477 3.215 20 30 FGEDLO Cc1ccc(N[C@@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)nc1C#N ZINC000519801569 504344688 /nfs/dbraw/zinc/34/46/88/504344688.db2.gz CONPHKBQKFPUDR-CQSZACIVSA-N 1 2 365.387 3.252 20 30 FGEDLO N#CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000542251243 504423231 /nfs/dbraw/zinc/42/32/31/504423231.db2.gz WWTOTSDEPUSZRI-HNNXBMFYSA-N 1 2 352.841 3.046 20 30 FGEDLO N#CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000542251243 504423233 /nfs/dbraw/zinc/42/32/33/504423233.db2.gz WWTOTSDEPUSZRI-HNNXBMFYSA-N 1 2 352.841 3.046 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000545296827 504433396 /nfs/dbraw/zinc/43/33/96/504433396.db2.gz RPEQXKXCNDXQSL-MRXNPFEDSA-N 1 2 374.391 3.269 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000545296978 504433920 /nfs/dbraw/zinc/43/39/20/504433920.db2.gz ZROIVAZTVQERQB-UHFFFAOYSA-N 1 2 365.368 3.213 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000520222217 504439075 /nfs/dbraw/zinc/43/90/75/504439075.db2.gz GGVIPPWVJJIJDG-MRXNPFEDSA-N 1 2 366.856 3.366 20 30 FGEDLO C=CC[N@H+](Cc1ncc(C2CC2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000535570824 504474127 /nfs/dbraw/zinc/47/41/27/504474127.db2.gz ZOUHQRREBWAUMH-CQSZACIVSA-N 1 2 350.426 3.277 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(C2CC2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000535570824 504474131 /nfs/dbraw/zinc/47/41/31/504474131.db2.gz ZOUHQRREBWAUMH-CQSZACIVSA-N 1 2 350.426 3.277 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000535590465 504480966 /nfs/dbraw/zinc/48/09/66/504480966.db2.gz XDXUXBPWOVNDFK-IRXDYDNUSA-N 1 2 364.287 3.376 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCCc3cc(OC)ccc3C2)c1C#N ZINC000535966063 504594939 /nfs/dbraw/zinc/59/49/39/504594939.db2.gz UFLZKKVQTALAME-UHFFFAOYSA-N 1 2 350.418 3.302 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCCc3cc(OC)ccc3C2)c1C#N ZINC000535966063 504594942 /nfs/dbraw/zinc/59/49/42/504594942.db2.gz UFLZKKVQTALAME-UHFFFAOYSA-N 1 2 350.418 3.302 20 30 FGEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865797 504597354 /nfs/dbraw/zinc/59/73/54/504597354.db2.gz QWNBCURMTFQVOG-UHFFFAOYSA-N 1 2 356.514 3.079 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000520921983 504610571 /nfs/dbraw/zinc/61/05/71/504610571.db2.gz QZBCHGDGXBUACY-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NC[C@@H](C)C#N)cc1 ZINC000542875749 504643051 /nfs/dbraw/zinc/64/30/51/504643051.db2.gz QLLGVABHIRFYOV-KRWDZBQOSA-N 1 2 369.469 3.043 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542880754 504644537 /nfs/dbraw/zinc/64/45/37/504644537.db2.gz GTZJNVIDTJUNAR-CYBMUJFWSA-N 1 2 363.483 3.186 20 30 FGEDLO Cc1c(Cl)cnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000543137825 504739138 /nfs/dbraw/zinc/73/91/38/504739138.db2.gz PUAJXUVACXHZGD-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000565142625 504807420 /nfs/dbraw/zinc/80/74/20/504807420.db2.gz VIYTXLDFGDJVJD-UHFFFAOYSA-N 1 2 368.256 3.084 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC(=O)CC13CCC3)CCC2 ZINC000565169693 504815008 /nfs/dbraw/zinc/81/50/08/504815008.db2.gz HFISIKDCRTXLRB-UHFFFAOYSA-N 1 2 357.479 3.025 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC(=O)CC13CCC3)CCC2 ZINC000565169693 504815013 /nfs/dbraw/zinc/81/50/13/504815013.db2.gz HFISIKDCRTXLRB-UHFFFAOYSA-N 1 2 357.479 3.025 20 30 FGEDLO N#Cc1c[nH]c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000549798563 504900660 /nfs/dbraw/zinc/90/06/60/504900660.db2.gz PXCRLDGZMKZVNX-UHFFFAOYSA-N 1 2 353.813 3.079 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000556636218 504926153 /nfs/dbraw/zinc/92/61/53/504926153.db2.gz CMMMTIBSCYQATF-KDOFPFPSSA-N 1 2 365.437 3.014 20 30 FGEDLO CC(C)(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(F)cc(C#N)c1 ZINC000553638247 504970288 /nfs/dbraw/zinc/97/02/88/504970288.db2.gz APBMHCCIQVSNLS-UHFFFAOYSA-N 1 2 363.396 3.253 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000562872180 504971676 /nfs/dbraw/zinc/97/16/76/504971676.db2.gz FQOXLGZXYQMIQS-RXVVDRJESA-N 1 2 369.509 3.258 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000562872180 504971681 /nfs/dbraw/zinc/97/16/81/504971681.db2.gz FQOXLGZXYQMIQS-RXVVDRJESA-N 1 2 369.509 3.258 20 30 FGEDLO C=CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)c1ccccc1 ZINC000565864374 505009766 /nfs/dbraw/zinc/00/97/66/505009766.db2.gz PSLWZLZGVOKGFN-HXUWFJFHSA-N 1 2 365.477 3.351 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(C#N)c3)c2C1 ZINC000560241095 505027028 /nfs/dbraw/zinc/02/70/28/505027028.db2.gz HXHYIYRIJLLOEN-UHFFFAOYSA-N 1 2 360.392 3.486 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(C#N)c3)c2C1 ZINC000560241095 505027034 /nfs/dbraw/zinc/02/70/34/505027034.db2.gz HXHYIYRIJLLOEN-UHFFFAOYSA-N 1 2 360.392 3.486 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000557036153 505049241 /nfs/dbraw/zinc/04/92/41/505049241.db2.gz VVOLOWLPBOKEKY-INIZCTEOSA-N 1 2 366.440 3.179 20 30 FGEDLO N#Cc1ccsc1NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000550705351 505087130 /nfs/dbraw/zinc/08/71/30/505087130.db2.gz MTXUXYDYLJGFHD-UHFFFAOYSA-N 1 2 364.386 3.384 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000550766556 505096777 /nfs/dbraw/zinc/09/67/77/505096777.db2.gz UQMQUULBVPCULI-MRXNPFEDSA-N 1 2 367.218 3.162 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(CC(F)(F)F)CC3)C2=O)cc1 ZINC000551711744 505289177 /nfs/dbraw/zinc/28/91/77/505289177.db2.gz LYHYMNFOMTTZPV-INIZCTEOSA-N 1 2 351.372 3.328 20 30 FGEDLO COc1ccc(CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C2CC2)cc1 ZINC000558241475 505341530 /nfs/dbraw/zinc/34/15/30/505341530.db2.gz QALXKSLSOGQKCJ-UHFFFAOYSA-N 1 2 357.498 3.448 20 30 FGEDLO COc1ccc(CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C2CC2)cc1 ZINC000558241475 505341534 /nfs/dbraw/zinc/34/15/34/505341534.db2.gz QALXKSLSOGQKCJ-UHFFFAOYSA-N 1 2 357.498 3.448 20 30 FGEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555248540 505390926 /nfs/dbraw/zinc/39/09/26/505390926.db2.gz XBICEFWXGNCDSD-UHFFFAOYSA-N 1 2 368.529 3.160 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558587529 505431696 /nfs/dbraw/zinc/43/16/96/505431696.db2.gz IBYPBNDCNOIELG-INIZCTEOSA-N 1 2 366.465 3.199 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(C(F)(F)F)c1 ZINC000564532646 505443738 /nfs/dbraw/zinc/44/37/38/505443738.db2.gz HPBYXBLBUZNHDI-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC000561843701 505448332 /nfs/dbraw/zinc/44/83/32/505448332.db2.gz ZHDYDXWLMLWVSD-UHFFFAOYSA-N 1 2 372.266 3.312 20 30 FGEDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cc1 ZINC000561843701 505448337 /nfs/dbraw/zinc/44/83/37/505448337.db2.gz ZHDYDXWLMLWVSD-UHFFFAOYSA-N 1 2 372.266 3.312 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555605605 505471508 /nfs/dbraw/zinc/47/15/08/505471508.db2.gz FEJCBRWIDINYKR-QGZVFWFLSA-N 1 2 372.387 3.377 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555605605 505471514 /nfs/dbraw/zinc/47/15/14/505471514.db2.gz FEJCBRWIDINYKR-QGZVFWFLSA-N 1 2 372.387 3.377 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c(Cl)c1 ZINC000555650316 505486453 /nfs/dbraw/zinc/48/64/53/505486453.db2.gz CSOBCZJXSHRXMQ-UHFFFAOYSA-N 1 2 352.887 3.002 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)c1 ZINC000552468167 505498593 /nfs/dbraw/zinc/49/85/93/505498593.db2.gz DKXAIEQBCYFGJP-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO C=CCCOCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000555742207 505505590 /nfs/dbraw/zinc/50/55/90/505505590.db2.gz LVYZMUQYPHQBLP-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CCCOCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000555742207 505505594 /nfs/dbraw/zinc/50/55/94/505505594.db2.gz LVYZMUQYPHQBLP-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO Cc1ccc(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000603099319 506418126 /nfs/dbraw/zinc/41/81/26/506418126.db2.gz JSGOIRMBFODNSP-IRXDYDNUSA-N 1 2 364.449 3.241 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c(Cl)c1 ZINC000599396002 506441334 /nfs/dbraw/zinc/44/13/34/506441334.db2.gz NMKVAJASPPDZMC-HXUWFJFHSA-N 1 2 356.853 3.365 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c(Cl)c1 ZINC000599396002 506441338 /nfs/dbraw/zinc/44/13/38/506441338.db2.gz NMKVAJASPPDZMC-HXUWFJFHSA-N 1 2 356.853 3.365 20 30 FGEDLO CCSc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(Br)c1 ZINC000599454814 506463094 /nfs/dbraw/zinc/46/30/94/506463094.db2.gz CGHYCFRVIVFITG-OAHLLOKOSA-N 1 2 355.301 3.412 20 30 FGEDLO CCSc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(Br)c1 ZINC000599454814 506463097 /nfs/dbraw/zinc/46/30/97/506463097.db2.gz CGHYCFRVIVFITG-OAHLLOKOSA-N 1 2 355.301 3.412 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000589183357 506472849 /nfs/dbraw/zinc/47/28/49/506472849.db2.gz CZBXFGCGLJJQNV-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)C[C@H](C)O1 ZINC000589183357 506472856 /nfs/dbraw/zinc/47/28/56/506472856.db2.gz CZBXFGCGLJJQNV-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582288 506510951 /nfs/dbraw/zinc/51/09/51/506510951.db2.gz MNGWRZCGXBEBRA-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582288 506510955 /nfs/dbraw/zinc/51/09/55/506510955.db2.gz MNGWRZCGXBEBRA-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO Cc1cc(F)cc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596655974 506514722 /nfs/dbraw/zinc/51/47/22/506514722.db2.gz AUSVLWVEJTUGGV-UHFFFAOYSA-N 1 2 351.425 3.272 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000612306568 506521137 /nfs/dbraw/zinc/52/11/37/506521137.db2.gz UJTSCBFKGHPQOE-JXFKEZNVSA-N 1 2 356.470 3.237 20 30 FGEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)cc1F ZINC000599681177 506576157 /nfs/dbraw/zinc/57/61/57/506576157.db2.gz WSKZFNMNOXKAGA-AWEZNQCLSA-N 1 2 359.426 3.195 20 30 FGEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)cc1F ZINC000599681177 506576160 /nfs/dbraw/zinc/57/61/60/506576160.db2.gz WSKZFNMNOXKAGA-AWEZNQCLSA-N 1 2 359.426 3.195 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)CCc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000603700017 506598697 /nfs/dbraw/zinc/59/86/97/506598697.db2.gz PZIIWFJZTFZRDD-UHFFFAOYSA-N 1 2 362.477 3.439 20 30 FGEDLO N#CC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000593430227 506615321 /nfs/dbraw/zinc/61/53/21/506615321.db2.gz BKBBPNVCSGGTIN-UHFFFAOYSA-N 1 2 355.486 3.192 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1C ZINC000589786575 506649378 /nfs/dbraw/zinc/64/93/78/506649378.db2.gz DOVUJOGANAVWIS-QFIPXVFZSA-N 1 2 374.488 3.103 20 30 FGEDLO CS(=O)(=O)c1ccccc1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593515305 506665074 /nfs/dbraw/zinc/66/50/74/506665074.db2.gz LUTOJJIRJVMPBW-UHFFFAOYSA-N 1 2 369.490 3.038 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2)CC1 ZINC000596921829 506678244 /nfs/dbraw/zinc/67/82/44/506678244.db2.gz VOPSNILTZYONDL-UHFFFAOYSA-N 1 2 354.498 3.237 20 30 FGEDLO COC(=O)COc1c(C)cc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000593696415 506736382 /nfs/dbraw/zinc/73/63/82/506736382.db2.gz FGPFTPSJOFTVSI-UHFFFAOYSA-N 1 2 350.418 3.243 20 30 FGEDLO COC(=O)COc1c(C)cc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000593696415 506736384 /nfs/dbraw/zinc/73/63/84/506736384.db2.gz FGPFTPSJOFTVSI-UHFFFAOYSA-N 1 2 350.418 3.243 20 30 FGEDLO COc1ccc2[nH+]c(NC3CCN(c4ccc(C#N)cn4)CC3)ccc2c1 ZINC000608974887 506755655 /nfs/dbraw/zinc/75/56/55/506755655.db2.gz LQKXUGSFULNLOE-UHFFFAOYSA-N 1 2 359.433 3.013 20 30 FGEDLO CO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609075754 506770139 /nfs/dbraw/zinc/77/01/39/506770139.db2.gz KJBFGGRRXJMAEE-ZIAGYGMSSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609075754 506770143 /nfs/dbraw/zinc/77/01/43/506770143.db2.gz KJBFGGRRXJMAEE-ZIAGYGMSSA-N 1 2 361.511 3.326 20 30 FGEDLO CCN(C(=O)CC1(C#N)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000590268253 506778544 /nfs/dbraw/zinc/77/85/44/506778544.db2.gz ZSHWCNKLSFGKOY-UHFFFAOYSA-N 1 2 369.513 3.420 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000590377461 506805590 /nfs/dbraw/zinc/80/55/90/506805590.db2.gz AWILIQXTYNPQLN-UHFFFAOYSA-N 1 2 358.401 3.059 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590377461 506805594 /nfs/dbraw/zinc/80/55/94/506805594.db2.gz AWILIQXTYNPQLN-UHFFFAOYSA-N 1 2 358.401 3.059 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000609240209 506823216 /nfs/dbraw/zinc/82/32/16/506823216.db2.gz UILYLHVKSZFQJA-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO COc1cccc2c1C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000600208326 506847243 /nfs/dbraw/zinc/84/72/43/506847243.db2.gz QWMAEAZLJVDHNT-UHFFFAOYSA-N 1 2 359.433 3.383 20 30 FGEDLO COc1cccc2c1C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000600208326 506847247 /nfs/dbraw/zinc/84/72/47/506847247.db2.gz QWMAEAZLJVDHNT-UHFFFAOYSA-N 1 2 359.433 3.383 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593977105 506861848 /nfs/dbraw/zinc/86/18/48/506861848.db2.gz WEBXPIIEMAVLRV-KRWDZBQOSA-N 1 2 363.461 3.208 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026714 506891733 /nfs/dbraw/zinc/89/17/33/506891733.db2.gz NTSPVHFEXHMZLR-DZGCQCFKSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026714 506891743 /nfs/dbraw/zinc/89/17/43/506891743.db2.gz NTSPVHFEXHMZLR-DZGCQCFKSA-N 1 2 373.522 3.469 20 30 FGEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609486725 506895712 /nfs/dbraw/zinc/89/57/12/506895712.db2.gz PVOXLVIBYPTFPG-SESVDKBCSA-N 1 2 370.541 3.198 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)nc1 ZINC000609518205 506907200 /nfs/dbraw/zinc/90/72/00/506907200.db2.gz LPPDHPYEPOGHCR-GOSISDBHSA-N 1 2 373.416 3.419 20 30 FGEDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759825 506940485 /nfs/dbraw/zinc/94/04/85/506940485.db2.gz REWLRVHINCXRJV-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759825 506940489 /nfs/dbraw/zinc/94/04/89/506940489.db2.gz REWLRVHINCXRJV-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000590763004 506942817 /nfs/dbraw/zinc/94/28/17/506942817.db2.gz PHWLEFWHSOBBJI-FQEVSTJZSA-N 1 2 373.522 3.330 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000590763004 506942823 /nfs/dbraw/zinc/94/28/23/506942823.db2.gz PHWLEFWHSOBBJI-FQEVSTJZSA-N 1 2 373.522 3.330 20 30 FGEDLO Cc1ccc(OCC(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609822827 507015003 /nfs/dbraw/zinc/01/50/03/507015003.db2.gz GOYHGQHUKSWIEW-SFHVURJKSA-N 1 2 363.461 3.151 20 30 FGEDLO C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc(C#N)c1 ZINC000610348706 507205869 /nfs/dbraw/zinc/20/58/69/507205869.db2.gz WHIWWZPIECBCHU-LBPRGKRZSA-N 1 2 353.813 3.420 20 30 FGEDLO N#CC1(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)CC2(CC2)C1 ZINC000600999948 507222682 /nfs/dbraw/zinc/22/26/82/507222682.db2.gz KFKBBDPJGVKCCW-UHFFFAOYSA-N 1 2 372.472 3.344 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N3CC(CC#N)C3)[nH+]c12 ZINC000598033065 507227711 /nfs/dbraw/zinc/22/77/11/507227711.db2.gz AHRSPFXIEDGIJF-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000601241003 507307514 /nfs/dbraw/zinc/30/75/14/507307514.db2.gz UOKOMZQDJLLWBO-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC000610613483 507319214 /nfs/dbraw/zinc/31/92/14/507319214.db2.gz BGCZMNYMQSSOEV-UHFFFAOYSA-N 1 2 365.424 3.383 20 30 FGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC000610613483 507319221 /nfs/dbraw/zinc/31/92/21/507319221.db2.gz BGCZMNYMQSSOEV-UHFFFAOYSA-N 1 2 365.424 3.383 20 30 FGEDLO N#CCc1ccccc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000601458164 507366347 /nfs/dbraw/zinc/36/63/47/507366347.db2.gz NKYKNKHGGPXLMU-UHFFFAOYSA-N 1 2 374.366 3.129 20 30 FGEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000610740048 507372983 /nfs/dbraw/zinc/37/29/83/507372983.db2.gz ONHUVZGZFYUJQN-ZTNFWEORSA-N 1 2 372.490 3.016 20 30 FGEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000610740048 507372990 /nfs/dbraw/zinc/37/29/90/507372990.db2.gz ONHUVZGZFYUJQN-ZTNFWEORSA-N 1 2 372.490 3.016 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000610846654 507411741 /nfs/dbraw/zinc/41/17/41/507411741.db2.gz FTWIACGQAAZJHF-MRXNPFEDSA-N 1 2 366.440 3.286 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1[nH]cc[nH+]1 ZINC000595401577 507482173 /nfs/dbraw/zinc/48/21/73/507482173.db2.gz LLEUFUOZAOFGGD-GFCCVEGCSA-N 1 2 357.483 3.071 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c(F)c1 ZINC000611118780 507522279 /nfs/dbraw/zinc/52/22/79/507522279.db2.gz SGUKWEAWTKVMSC-UHFFFAOYSA-N 1 2 359.767 3.360 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196334 507533615 /nfs/dbraw/zinc/53/36/15/507533615.db2.gz VYPHGXQIXCQSAW-IRXDYDNUSA-N 1 2 373.472 3.494 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196334 507533618 /nfs/dbraw/zinc/53/36/18/507533618.db2.gz VYPHGXQIXCQSAW-IRXDYDNUSA-N 1 2 373.472 3.494 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602079719 507584437 /nfs/dbraw/zinc/58/44/37/507584437.db2.gz BKSDUKVPCKMJCJ-AWEZNQCLSA-N 1 2 352.316 3.286 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602121884 507599484 /nfs/dbraw/zinc/59/94/84/507599484.db2.gz XPFUCDFMQLDKDI-CQSZACIVSA-N 1 2 351.332 3.319 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(C)s1 ZINC000595630566 507602748 /nfs/dbraw/zinc/60/27/48/507602748.db2.gz FBSBNLJOEAWRAA-UHFFFAOYSA-N 1 2 361.492 3.099 20 30 FGEDLO N#Cc1sccc1N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000595634046 507604041 /nfs/dbraw/zinc/60/40/41/507604041.db2.gz UZOSERYGLUHBRE-UHFFFAOYSA-N 1 2 357.870 3.243 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602166030 507611516 /nfs/dbraw/zinc/61/15/16/507611516.db2.gz JAJHFQBRCHWLMW-WFASDCNBSA-N 1 2 350.344 3.468 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711387 507643742 /nfs/dbraw/zinc/64/37/42/507643742.db2.gz FRAUCRCINLDLMC-OAHLLOKOSA-N 1 2 368.506 3.176 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711387 507643745 /nfs/dbraw/zinc/64/37/45/507643745.db2.gz FRAUCRCINLDLMC-OAHLLOKOSA-N 1 2 368.506 3.176 20 30 FGEDLO C=CCCSCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595723992 507648045 /nfs/dbraw/zinc/64/80/45/507648045.db2.gz IXFHTULHVMRBCJ-MRXNPFEDSA-N 1 2 362.543 3.418 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000611385719 507654459 /nfs/dbraw/zinc/65/44/59/507654459.db2.gz BYKYPTQUGGNIPU-UHFFFAOYSA-N 1 2 362.393 3.143 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000586651736 507654625 /nfs/dbraw/zinc/65/46/25/507654625.db2.gz DEIFYODFUBLZOK-DZGCQCFKSA-N 1 2 364.287 3.453 20 30 FGEDLO Cc1cccn2cc(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000586749098 507656738 /nfs/dbraw/zinc/65/67/38/507656738.db2.gz POENJTZLJWPSDB-UHFFFAOYSA-N 1 2 371.362 3.372 20 30 FGEDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3cccc(C#N)c3)nc2c1 ZINC000611388091 507656824 /nfs/dbraw/zinc/65/68/24/507656824.db2.gz WRAVOBNOLBQIHC-CYBMUJFWSA-N 1 2 369.446 3.344 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1F ZINC000595747467 507663128 /nfs/dbraw/zinc/66/31/28/507663128.db2.gz JSMJNYXOQRTQLI-QGZVFWFLSA-N 1 2 359.445 3.314 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1F ZINC000595747467 507663133 /nfs/dbraw/zinc/66/31/33/507663133.db2.gz JSMJNYXOQRTQLI-QGZVFWFLSA-N 1 2 359.445 3.314 20 30 FGEDLO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595769197 507676414 /nfs/dbraw/zinc/67/64/14/507676414.db2.gz SKPNQRXGMIWHFM-OAQYLSRUSA-N 1 2 367.449 3.379 20 30 FGEDLO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595769197 507676417 /nfs/dbraw/zinc/67/64/17/507676417.db2.gz SKPNQRXGMIWHFM-OAQYLSRUSA-N 1 2 367.449 3.379 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000595770985 507677572 /nfs/dbraw/zinc/67/75/72/507677572.db2.gz YHGFBUYFHAHJBU-RBBKRZOGSA-N 1 2 364.445 3.445 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000595770985 507677579 /nfs/dbraw/zinc/67/75/79/507677579.db2.gz YHGFBUYFHAHJBU-RBBKRZOGSA-N 1 2 364.445 3.445 20 30 FGEDLO CC(C)CCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595772531 507677983 /nfs/dbraw/zinc/67/79/83/507677983.db2.gz HPXUAKRFTOZNQU-UHFFFAOYSA-N 1 2 354.454 3.325 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822121 507699889 /nfs/dbraw/zinc/69/98/89/507699889.db2.gz MTAXZVJHLJRCRZ-KRWDZBQOSA-N 1 2 367.493 3.213 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822121 507699892 /nfs/dbraw/zinc/69/98/92/507699892.db2.gz MTAXZVJHLJRCRZ-KRWDZBQOSA-N 1 2 367.493 3.213 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587062768 507705076 /nfs/dbraw/zinc/70/50/76/507705076.db2.gz ZXRBKKIOTMWLNY-QGZVFWFLSA-N 1 2 358.401 3.292 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000602498686 507728801 /nfs/dbraw/zinc/72/88/01/507728801.db2.gz DWHGCNNWGGPQCZ-QAPCUYQASA-N 1 2 356.445 3.337 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000602498684 507728989 /nfs/dbraw/zinc/72/89/89/507728989.db2.gz DWHGCNNWGGPQCZ-CRAIPNDOSA-N 1 2 356.445 3.337 20 30 FGEDLO Cc1ccc(C#N)c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000588009265 507731716 /nfs/dbraw/zinc/73/17/16/507731716.db2.gz CIXIBSYFFRKDTN-ROUUACIJSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccc(C#N)c(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000588009265 507731722 /nfs/dbraw/zinc/73/17/22/507731722.db2.gz CIXIBSYFFRKDTN-ROUUACIJSA-N 1 2 356.857 3.399 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000611551480 507733737 /nfs/dbraw/zinc/73/37/37/507733737.db2.gz QSFCXSQPUQYBKD-LJQANCHMSA-N 1 2 354.385 3.116 20 30 FGEDLO Cc1cc(C#N)cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000588016707 507734513 /nfs/dbraw/zinc/73/45/13/507734513.db2.gz NBWNOICEQJWSIS-UHFFFAOYSA-N 1 2 370.254 3.057 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000611566443 507742578 /nfs/dbraw/zinc/74/25/78/507742578.db2.gz KWISTKXMVAXFJP-UIBIWLFHSA-N 1 2 356.470 3.110 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000611566443 507742585 /nfs/dbraw/zinc/74/25/85/507742585.db2.gz KWISTKXMVAXFJP-UIBIWLFHSA-N 1 2 356.470 3.110 20 30 FGEDLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000615230641 507781062 /nfs/dbraw/zinc/78/10/62/507781062.db2.gz VHAQUHOGJLLDRB-UHFFFAOYSA-N 1 2 355.873 3.447 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC(C)(C)c2ccccc2)CCO1 ZINC000330338647 568266439 /nfs/dbraw/zinc/26/64/39/568266439.db2.gz VQWTZQPUUHDYJJ-WMZOPIPTSA-N 1 2 356.470 3.122 20 30 FGEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881616 568633804 /nfs/dbraw/zinc/63/38/04/568633804.db2.gz OGQWNXCYILGKON-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881616 568633806 /nfs/dbraw/zinc/63/38/06/568633806.db2.gz OGQWNXCYILGKON-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(NC(=O)[O-])CCCCC3)CC2)cc1 ZINC000833971190 606008215 /nfs/dbraw/zinc/00/82/15/606008215.db2.gz AAXVDCSTMCXONZ-UHFFFAOYSA-N 1 2 370.497 3.083 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801068 606452442 /nfs/dbraw/zinc/45/24/42/606452442.db2.gz DMKDIROAGPEMDB-IEBWSBKVSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801068 606452443 /nfs/dbraw/zinc/45/24/43/606452443.db2.gz DMKDIROAGPEMDB-IEBWSBKVSA-N 1 2 362.412 3.278 20 30 FGEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1cc(F)ccc1F ZINC000106067344 700506354 /nfs/dbraw/zinc/50/63/54/700506354.db2.gz RAUMGEXMBUDNKU-UHFFFAOYSA-N 1 2 353.756 3.088 20 30 FGEDLO C=CC1CC[NH+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000111259979 700547260 /nfs/dbraw/zinc/54/72/60/700547260.db2.gz OCDXGSSSYHLABQ-UHFFFAOYSA-N 1 2 350.463 3.227 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000157790668 705163775 /nfs/dbraw/zinc/16/37/75/705163775.db2.gz VOJLPSHONNFMPU-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCc1ccccc1F ZINC000303599885 713787181 /nfs/dbraw/zinc/78/71/81/713787181.db2.gz UWQQWUGEKSUFNY-LBPRGKRZSA-N 1 2 363.820 3.015 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCC(C)(C)C#N ZINC000374636687 713935926 /nfs/dbraw/zinc/93/59/26/713935926.db2.gz OBSNZYZHHQSUDV-CVEARBPZSA-N 1 2 351.491 3.027 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CCCCC(C)(C)C#N ZINC000374636687 713935927 /nfs/dbraw/zinc/93/59/27/713935927.db2.gz OBSNZYZHHQSUDV-CVEARBPZSA-N 1 2 351.491 3.027 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCSC[C@@H]2CCO)cc1OC ZINC000628189739 716123384 /nfs/dbraw/zinc/12/33/84/716123384.db2.gz LVTHHLSVBUBENU-AWEZNQCLSA-N 1 2 357.903 3.213 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCSC[C@@H]2CCO)cc1OC ZINC000628189739 716123385 /nfs/dbraw/zinc/12/33/85/716123385.db2.gz LVTHHLSVBUBENU-AWEZNQCLSA-N 1 2 357.903 3.213 20 30 FGEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000636121375 717234742 /nfs/dbraw/zinc/23/47/42/717234742.db2.gz UVDSNULUSOCKCA-SECBINFHSA-N 1 2 373.272 3.270 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000639726466 717595185 /nfs/dbraw/zinc/59/51/85/717595185.db2.gz ARLITMOHVBAOLE-AUUYWEPGSA-N 1 2 361.873 3.029 20 30 FGEDLO C=CCCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nn1 ZINC000653759286 719087041 /nfs/dbraw/zinc/08/70/41/719087041.db2.gz HJKXFNYRCOWICJ-HNNXBMFYSA-N 1 2 358.408 3.035 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nn1 ZINC000653759286 719087047 /nfs/dbraw/zinc/08/70/47/719087047.db2.gz HJKXFNYRCOWICJ-HNNXBMFYSA-N 1 2 358.408 3.035 20 30 FGEDLO NC(=[NH+]OCCCOCC(F)(F)F)c1ccc(Br)cc1 ZINC000782949102 724711104 /nfs/dbraw/zinc/71/11/04/724711104.db2.gz BETZTRWXWUEZKQ-UHFFFAOYSA-N 1 2 355.154 3.055 20 30 FGEDLO C=CC[NH+]1CCN(c2nc(-c3ccccc3)nc(SC)c2C#N)CC1 ZINC001165032348 721868089 /nfs/dbraw/zinc/86/80/89/721868089.db2.gz OOXHVNNFNSEDNS-UHFFFAOYSA-N 1 2 351.479 3.045 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000730096694 722465232 /nfs/dbraw/zinc/46/52/32/722465232.db2.gz RCEYYNOFMOFPBN-INIZCTEOSA-N 1 2 353.447 3.037 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000730096694 722465233 /nfs/dbraw/zinc/46/52/33/722465233.db2.gz RCEYYNOFMOFPBN-INIZCTEOSA-N 1 2 353.447 3.037 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H](COC)C2)c1=S ZINC000739871982 722534196 /nfs/dbraw/zinc/53/41/96/722534196.db2.gz OJPYHBIKXBHSOC-KRWDZBQOSA-N 1 2 358.511 3.117 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H](COC)C2)c1=S ZINC000739871982 722534197 /nfs/dbraw/zinc/53/41/97/722534197.db2.gz OJPYHBIKXBHSOC-KRWDZBQOSA-N 1 2 358.511 3.117 20 30 FGEDLO NC(=[NH+]O[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)cc1 ZINC000742353218 722556128 /nfs/dbraw/zinc/55/61/28/722556128.db2.gz VCTFFXPMWBLTTQ-MRXNPFEDSA-N 1 2 361.804 3.312 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000744371095 722576309 /nfs/dbraw/zinc/57/63/09/722576309.db2.gz OEXIXFINGJDLEM-UHFFFAOYSA-N 1 2 357.306 3.253 20 30 FGEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472440 722603751 /nfs/dbraw/zinc/60/37/51/722603751.db2.gz PKYFMFGBTZCTJV-WBVHZDCISA-N 1 2 370.902 3.030 20 30 FGEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472440 722603753 /nfs/dbraw/zinc/60/37/53/722603753.db2.gz PKYFMFGBTZCTJV-WBVHZDCISA-N 1 2 370.902 3.030 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761044002 723115596 /nfs/dbraw/zinc/11/55/96/723115596.db2.gz GLYNEANFTGNMCQ-QWHCGFSZSA-N 1 2 357.351 3.345 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761044002 723115598 /nfs/dbraw/zinc/11/55/98/723115598.db2.gz GLYNEANFTGNMCQ-QWHCGFSZSA-N 1 2 357.351 3.345 20 30 FGEDLO C=CCOc1c(Br)cc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790302031 723124884 /nfs/dbraw/zinc/12/48/84/723124884.db2.gz LUDRVSOTEUWPCA-UHFFFAOYSA-N 1 2 365.231 3.202 20 30 FGEDLO C[C@]12CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000792903238 723380004 /nfs/dbraw/zinc/38/00/04/723380004.db2.gz NMNVFUYHDZWDPM-UXLLHSPISA-N 1 2 364.276 3.179 20 30 FGEDLO C[C@]12CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000792903238 723380007 /nfs/dbraw/zinc/38/00/07/723380007.db2.gz NMNVFUYHDZWDPM-UXLLHSPISA-N 1 2 364.276 3.179 20 30 FGEDLO CC[C@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794637189 723537290 /nfs/dbraw/zinc/53/72/90/723537290.db2.gz PVMGCNDBJCXSIZ-RDJZCZTQSA-N 1 2 355.511 3.490 20 30 FGEDLO CC[C@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@@H]1c1ccccc1 ZINC000794637189 723537291 /nfs/dbraw/zinc/53/72/91/723537291.db2.gz PVMGCNDBJCXSIZ-RDJZCZTQSA-N 1 2 355.511 3.490 20 30 FGEDLO C#CCN(CCn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564376 /nfs/dbraw/zinc/56/43/76/723564376.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 1 2 374.282 3.413 20 30 FGEDLO C#CC[N@@H+](CCn1ccnc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564377 /nfs/dbraw/zinc/56/43/77/723564377.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 1 2 374.282 3.413 20 30 FGEDLO C#CC[N@H+](CCn1ccnc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564378 /nfs/dbraw/zinc/56/43/78/723564378.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 1 2 374.282 3.413 20 30 FGEDLO Brc1cc(N[NH+]=Cc2ccccc2N2CCOCC2)ccn1 ZINC000769803144 723696282 /nfs/dbraw/zinc/69/62/82/723696282.db2.gz MOIRPERGWKKDNG-UHFFFAOYSA-N 1 2 361.243 3.127 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000771907955 723745042 /nfs/dbraw/zinc/74/50/42/723745042.db2.gz DWEYLWHSAFPASG-CQSZACIVSA-N 1 2 363.280 3.474 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000771907955 723745044 /nfs/dbraw/zinc/74/50/44/723745044.db2.gz DWEYLWHSAFPASG-CQSZACIVSA-N 1 2 363.280 3.474 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)OCCCSCC#N)c2)cc[nH+]1 ZINC000805527987 725077958 /nfs/dbraw/zinc/07/79/58/725077958.db2.gz GFOMQUHBRMUKKT-UHFFFAOYSA-N 1 2 356.451 3.201 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000806836536 725145739 /nfs/dbraw/zinc/14/57/39/725145739.db2.gz RPAYQWGIYOVBNR-GOSISDBHSA-N 1 2 360.860 3.223 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000806836536 725145740 /nfs/dbraw/zinc/14/57/40/725145740.db2.gz RPAYQWGIYOVBNR-GOSISDBHSA-N 1 2 360.860 3.223 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807193422 725156345 /nfs/dbraw/zinc/15/63/45/725156345.db2.gz XBNUKSSFFHQGBA-OALUTQOASA-N 1 2 360.860 3.393 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807193422 725156346 /nfs/dbraw/zinc/15/63/46/725156346.db2.gz XBNUKSSFFHQGBA-OALUTQOASA-N 1 2 360.860 3.393 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529374 725312881 /nfs/dbraw/zinc/31/28/81/725312881.db2.gz FGYOAVYFKBWUOJ-KPZWWZAWSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529374 725312884 /nfs/dbraw/zinc/31/28/84/725312884.db2.gz FGYOAVYFKBWUOJ-KPZWWZAWSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(=[NH+]n1cc(Br)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000814884767 727008487 /nfs/dbraw/zinc/00/84/87/727008487.db2.gz XZBHPUGUGIKVJS-GFCCVEGCSA-N 1 2 357.252 3.269 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000815892382 727104847 /nfs/dbraw/zinc/10/48/47/727104847.db2.gz OLGYOFCZIZRARP-HUUCEWRRSA-N 1 2 358.816 3.039 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000815892382 727104850 /nfs/dbraw/zinc/10/48/50/727104850.db2.gz OLGYOFCZIZRARP-HUUCEWRRSA-N 1 2 358.816 3.039 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2cc(Br)ccc2c1 ZINC000819460176 727376957 /nfs/dbraw/zinc/37/69/57/727376957.db2.gz GREAYPCLQIUZEO-QGZVFWFLSA-N 1 2 362.271 3.221 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2cc(Br)ccc2c1 ZINC000819460176 727376961 /nfs/dbraw/zinc/37/69/61/727376961.db2.gz GREAYPCLQIUZEO-QGZVFWFLSA-N 1 2 362.271 3.221 20 30 FGEDLO C#C[C@@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000820440074 728994987 /nfs/dbraw/zinc/99/49/87/728994987.db2.gz GAGAPODNGHGDHH-CQSZACIVSA-N 1 2 362.836 3.299 20 30 FGEDLO CCOCC[NH+]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000821488261 729092643 /nfs/dbraw/zinc/09/26/43/729092643.db2.gz KLTAAKQNNHSVSF-UHFFFAOYSA-N 1 2 364.515 3.103 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798797 729513289 /nfs/dbraw/zinc/51/32/89/729513289.db2.gz FHYSVJNWBQGXNW-NXEZZACHSA-N 1 2 360.326 3.444 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798797 729513290 /nfs/dbraw/zinc/51/32/90/729513290.db2.gz FHYSVJNWBQGXNW-NXEZZACHSA-N 1 2 360.326 3.444 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000831699771 729662803 /nfs/dbraw/zinc/66/28/03/729662803.db2.gz UURJIOLHNWNVRH-UHFFFAOYSA-N 1 2 365.271 3.160 20 30 FGEDLO Fc1ccc(Br)c(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000841653273 730261913 /nfs/dbraw/zinc/26/19/13/730261913.db2.gz IQAGUCCPUMPGJU-UHFFFAOYSA-N 1 2 364.222 3.424 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425603 730619323 /nfs/dbraw/zinc/61/93/23/730619323.db2.gz RERXNNDDCYJINV-QGZVFWFLSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425603 730619326 /nfs/dbraw/zinc/61/93/26/730619326.db2.gz RERXNNDDCYJINV-QGZVFWFLSA-N 1 2 365.264 3.338 20 30 FGEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000852468559 731588126 /nfs/dbraw/zinc/58/81/26/731588126.db2.gz QERYXWAFFAEKFD-ZENOOKHLSA-N 1 2 353.260 3.140 20 30 FGEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000852468559 731588129 /nfs/dbraw/zinc/58/81/29/731588129.db2.gz QERYXWAFFAEKFD-ZENOOKHLSA-N 1 2 353.260 3.140 20 30 FGEDLO O=C(C#CC1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000854333413 731817252 /nfs/dbraw/zinc/81/72/52/731817252.db2.gz VUQGBDWBZNKKKR-UHFFFAOYSA-N 1 2 372.266 3.088 20 30 FGEDLO C#C[C@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccc(Br)cc1 ZINC000894870786 742345141 /nfs/dbraw/zinc/34/51/41/742345141.db2.gz PERCHPHVXGODSK-YGRLFVJLSA-N 1 2 351.269 3.423 20 30 FGEDLO Cc1nc(N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc[nH+]1 ZINC000896392500 742544332 /nfs/dbraw/zinc/54/43/32/742544332.db2.gz GEUQIEUKUPFCAI-OCAPTIKFSA-N 1 2 361.236 3.392 20 30 FGEDLO Cc1nn2c(C[NH+]3CCC4(CC3)CC(=O)C=CO4)c(C(C)C)nc2s1 ZINC000897602818 742694996 /nfs/dbraw/zinc/69/49/96/742694996.db2.gz WGKUYQBKLIZSPS-UHFFFAOYSA-N 1 2 360.483 3.060 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)CC1(C)C ZINC000941039792 762170810 /nfs/dbraw/zinc/17/08/10/762170810.db2.gz UBJQJRSLQWWEQY-LDHHXMAOSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C(Cl)=C/Cl)CC1(C)C ZINC000941039792 762170817 /nfs/dbraw/zinc/17/08/17/762170817.db2.gz UBJQJRSLQWWEQY-LDHHXMAOSA-N 1 2 361.313 3.113 20 30 FGEDLO CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000914834749 757848202 /nfs/dbraw/zinc/84/82/02/757848202.db2.gz QVEGLTPXPGYSSS-UHFFFAOYSA-N 1 2 354.435 3.112 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(C)C ZINC000917167192 758186693 /nfs/dbraw/zinc/18/66/93/758186693.db2.gz ZWWWKEWULCTRHF-UHFFFAOYSA-N 1 2 366.483 3.271 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(C)C ZINC000917167192 758186701 /nfs/dbraw/zinc/18/67/01/758186701.db2.gz ZWWWKEWULCTRHF-UHFFFAOYSA-N 1 2 366.483 3.271 20 30 FGEDLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000930924688 760732920 /nfs/dbraw/zinc/73/29/20/760732920.db2.gz QZAMWXWCJWFGLO-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(Br)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000930924688 760732926 /nfs/dbraw/zinc/73/29/26/760732926.db2.gz QZAMWXWCJWFGLO-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1ncc(Br)cn1 ZINC000931870270 760988389 /nfs/dbraw/zinc/98/83/89/760988389.db2.gz HYWFYENCHWZGHU-UHFFFAOYSA-N 1 2 361.243 3.012 20 30 FGEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ncc(Br)cn1 ZINC000931870270 760988393 /nfs/dbraw/zinc/98/83/93/760988393.db2.gz HYWFYENCHWZGHU-UHFFFAOYSA-N 1 2 361.243 3.012 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C#N)C3)sc2C1 ZINC000932155444 761070145 /nfs/dbraw/zinc/07/01/45/761070145.db2.gz FGPGTLJVOKRDKV-KGLIPLIRSA-N 1 2 356.495 3.309 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](C#N)C3)sc2C1 ZINC000932155444 761070156 /nfs/dbraw/zinc/07/01/56/761070156.db2.gz FGPGTLJVOKRDKV-KGLIPLIRSA-N 1 2 356.495 3.309 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932810705 761249339 /nfs/dbraw/zinc/24/93/39/761249339.db2.gz DCOFYBHAVOKJBL-RHSMWYFYSA-N 1 2 362.271 3.176 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932810705 761249348 /nfs/dbraw/zinc/24/93/48/761249348.db2.gz DCOFYBHAVOKJBL-RHSMWYFYSA-N 1 2 362.271 3.176 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653920 761447385 /nfs/dbraw/zinc/44/73/85/761447385.db2.gz YZAQXLYKQRIRQQ-AWEZNQCLSA-N 1 2 362.857 3.313 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336773 761601294 /nfs/dbraw/zinc/60/12/94/761601294.db2.gz RZKMKQHWLLQIHO-ZDUSSCGKSA-N 1 2 360.508 3.196 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336773 761601302 /nfs/dbraw/zinc/60/13/02/761601302.db2.gz RZKMKQHWLLQIHO-ZDUSSCGKSA-N 1 2 360.508 3.196 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000971990211 762939344 /nfs/dbraw/zinc/93/93/44/762939344.db2.gz WDJJKQLIYRIIMB-YHUYYLMFSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000971990211 762939346 /nfs/dbraw/zinc/93/93/46/762939346.db2.gz WDJJKQLIYRIIMB-YHUYYLMFSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC000981369872 763485044 /nfs/dbraw/zinc/48/50/44/763485044.db2.gz UBBFYEXXSPPBSF-HKUYNNGSSA-N 1 2 362.901 3.476 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC000981369872 763485048 /nfs/dbraw/zinc/48/50/48/763485048.db2.gz UBBFYEXXSPPBSF-HKUYNNGSSA-N 1 2 362.901 3.476 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001005405846 765468618 /nfs/dbraw/zinc/46/86/18/765468618.db2.gz HSYQJZUUZKVKAS-UUUHGLBNSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001005740810 765485927 /nfs/dbraw/zinc/48/59/27/765485927.db2.gz JDFHSXBSMBJAMM-HOCLYGCPSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001015815726 765803766 /nfs/dbraw/zinc/80/37/66/765803766.db2.gz AZGRMHZVPINDBL-QRTARXTBSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001015815726 765803774 /nfs/dbraw/zinc/80/37/74/765803774.db2.gz AZGRMHZVPINDBL-QRTARXTBSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001028045276 766111597 /nfs/dbraw/zinc/11/15/97/766111597.db2.gz CKPGRFZCGTXTGC-VNQPRFMTSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001028045276 766111601 /nfs/dbraw/zinc/11/16/01/766111601.db2.gz CKPGRFZCGTXTGC-VNQPRFMTSA-N 1 2 354.828 3.401 20 30 FGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029482134 766148223 /nfs/dbraw/zinc/14/82/23/766148223.db2.gz WJMLWHMKTMYRKU-OAFZBRQQSA-N 1 2 357.523 3.477 20 30 FGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029482134 766148228 /nfs/dbraw/zinc/14/82/28/766148228.db2.gz WJMLWHMKTMYRKU-OAFZBRQQSA-N 1 2 357.523 3.477 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001034212792 766233077 /nfs/dbraw/zinc/23/30/77/766233077.db2.gz MWYPOGJJRRDZKL-XRQILJBCSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001034212792 766233085 /nfs/dbraw/zinc/23/30/85/766233085.db2.gz MWYPOGJJRRDZKL-XRQILJBCSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001046506864 766593292 /nfs/dbraw/zinc/59/32/92/766593292.db2.gz CNRXNQKNEALDRO-HDMKZQKVSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001046506864 766593300 /nfs/dbraw/zinc/59/33/00/766593300.db2.gz CNRXNQKNEALDRO-HDMKZQKVSA-N 1 2 354.828 3.401 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000571169804 505670837 /nfs/dbraw/zinc/67/08/37/505670837.db2.gz PEBRIUNICZYZTH-HXUWFJFHSA-N 1 2 366.396 3.063 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)cc1 ZINC000075715150 493771512 /nfs/dbraw/zinc/77/15/12/493771512.db2.gz ZVTYLIXPMIKIMU-UHFFFAOYSA-N 1 2 366.343 3.089 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000080792796 493779726 /nfs/dbraw/zinc/77/97/26/493779726.db2.gz ZBDOBNPGSBANJY-LJQANCHMSA-N 1 2 369.465 3.104 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000080892645 493788722 /nfs/dbraw/zinc/78/87/22/493788722.db2.gz JIUZEPLDEMOJMT-VQTJNVASSA-N 1 2 360.461 3.363 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068636059 493849057 /nfs/dbraw/zinc/84/90/57/493849057.db2.gz WDHPOHVWQAVXRU-UHFFFAOYSA-N 1 2 365.477 3.409 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000029686921 493851439 /nfs/dbraw/zinc/85/14/39/493851439.db2.gz BDWGQIBQAYBPHP-LEWJYISDSA-N 1 2 363.436 3.145 20 30 FGEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000050990225 493941408 /nfs/dbraw/zinc/94/14/08/493941408.db2.gz QHZVPMYHMBQOSR-UHFFFAOYSA-N 1 2 364.496 3.060 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1C ZINC000051997677 493997735 /nfs/dbraw/zinc/99/77/35/493997735.db2.gz AUKNPYINMPFONQ-PMACEKPBSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1C ZINC000051997677 493997736 /nfs/dbraw/zinc/99/77/36/493997736.db2.gz AUKNPYINMPFONQ-PMACEKPBSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000052038218 494001031 /nfs/dbraw/zinc/00/10/31/494001031.db2.gz YNDLMFRWOMKIQC-KUHUBIRLSA-N 1 2 363.864 3.294 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000052038218 494001033 /nfs/dbraw/zinc/00/10/33/494001033.db2.gz YNDLMFRWOMKIQC-KUHUBIRLSA-N 1 2 363.864 3.294 20 30 FGEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052164176 494008582 /nfs/dbraw/zinc/00/85/82/494008582.db2.gz YUNPDDDVGYKWOS-UHFFFAOYSA-N 1 2 351.450 3.464 20 30 FGEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052164176 494008584 /nfs/dbraw/zinc/00/85/84/494008584.db2.gz YUNPDDDVGYKWOS-UHFFFAOYSA-N 1 2 351.450 3.464 20 30 FGEDLO C[NH+](C)[C@H](CNc1c(C#N)nnc2ccccc21)c1c(F)cccc1F ZINC000077224777 494036426 /nfs/dbraw/zinc/03/64/26/494036426.db2.gz ZFHFKQABQFATEL-QGZVFWFLSA-N 1 2 353.376 3.494 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000063300591 494041822 /nfs/dbraw/zinc/04/18/22/494041822.db2.gz JHOKIGMQIJPDER-UHFFFAOYSA-N 1 2 363.461 3.050 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCOc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000063300591 494041827 /nfs/dbraw/zinc/04/18/27/494041827.db2.gz JHOKIGMQIJPDER-UHFFFAOYSA-N 1 2 363.461 3.050 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000077250342 494042827 /nfs/dbraw/zinc/04/28/27/494042827.db2.gz VKAPKGKYESHXAR-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000077250342 494042836 /nfs/dbraw/zinc/04/28/36/494042836.db2.gz VKAPKGKYESHXAR-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000063401740 494051519 /nfs/dbraw/zinc/05/15/19/494051519.db2.gz PERWATUHUYIHNN-UHFFFAOYSA-N 1 2 372.432 3.037 20 30 FGEDLO CC(C)CCc1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000063503864 494061195 /nfs/dbraw/zinc/06/11/95/494061195.db2.gz RYAYUAYNJZDNJT-UHFFFAOYSA-N 1 2 353.470 3.242 20 30 FGEDLO CC(C)CCc1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000063503864 494061199 /nfs/dbraw/zinc/06/11/99/494061199.db2.gz RYAYUAYNJZDNJT-UHFFFAOYSA-N 1 2 353.470 3.242 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000070870115 494062680 /nfs/dbraw/zinc/06/26/80/494062680.db2.gz HBAUEWCXYZUBIC-ACJLOTCBSA-N 1 2 351.878 3.223 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000070870115 494062682 /nfs/dbraw/zinc/06/26/82/494062682.db2.gz HBAUEWCXYZUBIC-ACJLOTCBSA-N 1 2 351.878 3.223 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccc(F)c2)c1 ZINC000580183585 505698482 /nfs/dbraw/zinc/69/84/82/505698482.db2.gz IJVCXUIQWYCQOX-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccc(F)c2)c1 ZINC000580183585 505698484 /nfs/dbraw/zinc/69/84/84/505698484.db2.gz IJVCXUIQWYCQOX-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011685572 494186408 /nfs/dbraw/zinc/18/64/08/494186408.db2.gz CGUOHCSNZVYROG-VIFPVBQESA-N 1 2 372.841 3.008 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC000042978919 494255957 /nfs/dbraw/zinc/25/59/57/494255957.db2.gz MKSWZZYEVWPAFL-CXAGYDPISA-N 1 2 366.303 3.324 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000042978919 494255958 /nfs/dbraw/zinc/25/59/58/494255958.db2.gz MKSWZZYEVWPAFL-CXAGYDPISA-N 1 2 366.303 3.324 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cn1 ZINC000072989127 494299934 /nfs/dbraw/zinc/29/99/34/494299934.db2.gz XTEJPBVHFJRTGQ-OAHLLOKOSA-N 1 2 371.510 3.368 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cn1 ZINC000072989127 494299935 /nfs/dbraw/zinc/29/99/35/494299935.db2.gz XTEJPBVHFJRTGQ-OAHLLOKOSA-N 1 2 371.510 3.368 20 30 FGEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000045027349 494392609 /nfs/dbraw/zinc/39/26/09/494392609.db2.gz WOPMIVXRQJJVTK-UHFFFAOYSA-N 1 2 364.453 3.134 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 ZINC000074011647 494467038 /nfs/dbraw/zinc/46/70/38/494467038.db2.gz KGZOSPZGCRKLIX-UHFFFAOYSA-N 1 2 362.408 3.137 20 30 FGEDLO CN(C)c1[nH+]cccc1N(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000079724146 494515063 /nfs/dbraw/zinc/51/50/63/494515063.db2.gz UJVGQPFNGNMLHV-UHFFFAOYSA-N 1 2 352.438 3.231 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(C#N)cc1 ZINC000046519056 494535479 /nfs/dbraw/zinc/53/54/79/494535479.db2.gz KSQHPYFLHKBLAG-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(C#N)cc1 ZINC000046519056 494535480 /nfs/dbraw/zinc/53/54/80/494535480.db2.gz KSQHPYFLHKBLAG-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000056874044 494580432 /nfs/dbraw/zinc/58/04/32/494580432.db2.gz RMIUVNHESPPFJH-UHFFFAOYSA-N 1 2 354.454 3.290 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361277 494604785 /nfs/dbraw/zinc/60/47/85/494604785.db2.gz DJUUFSBLCCNGFU-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)c(OCCCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361277 494604793 /nfs/dbraw/zinc/60/47/93/494604793.db2.gz DJUUFSBLCCNGFU-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080163190 494619958 /nfs/dbraw/zinc/61/99/58/494619958.db2.gz VBSJTEMWKPKTHC-UHFFFAOYSA-N 1 2 358.486 3.198 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000047052730 494628290 /nfs/dbraw/zinc/62/82/90/494628290.db2.gz NIEFEFCSZLFTRB-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115844363 494640805 /nfs/dbraw/zinc/64/08/05/494640805.db2.gz TVMKHMBRWHNIIY-GOSISDBHSA-N 1 2 372.419 3.281 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1F ZINC000108406269 494701059 /nfs/dbraw/zinc/70/10/59/494701059.db2.gz DSRWJQWNXZUVAY-MAUKXSAKSA-N 1 2 361.461 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1F ZINC000108406269 494701067 /nfs/dbraw/zinc/70/10/67/494701067.db2.gz DSRWJQWNXZUVAY-MAUKXSAKSA-N 1 2 361.461 3.218 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3sccc3Br)CC2)c1 ZINC000067962605 494710380 /nfs/dbraw/zinc/71/03/80/494710380.db2.gz GECOBTNFSZBZRL-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091889337 494714433 /nfs/dbraw/zinc/71/44/33/494714433.db2.gz ANVCDZMEFUGIQI-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091889337 494714444 /nfs/dbraw/zinc/71/44/44/494714444.db2.gz ANVCDZMEFUGIQI-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000091918167 494720576 /nfs/dbraw/zinc/72/05/76/494720576.db2.gz NOXDCFVNYCWUQB-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000091918059 494722201 /nfs/dbraw/zinc/72/22/01/494722201.db2.gz CJNSUWQRRXIXMZ-UHFFFAOYSA-N 1 2 365.412 3.311 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000092755275 494738235 /nfs/dbraw/zinc/73/82/35/494738235.db2.gz DXWKPFKUICSZTG-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO CCS[C@H](C)c1noc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000092044416 494768906 /nfs/dbraw/zinc/76/89/06/494768906.db2.gz RPKVGYJASRWFDB-GFCCVEGCSA-N 1 2 356.455 3.035 20 30 FGEDLO N#CCN1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000092936389 494791357 /nfs/dbraw/zinc/79/13/57/494791357.db2.gz YQQFXULXIBMXGV-UHFFFAOYSA-N 1 2 370.384 3.167 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000108870593 494796681 /nfs/dbraw/zinc/79/66/81/494796681.db2.gz RQXIPOFSGHDLDL-ZDUSSCGKSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000108870593 494796685 /nfs/dbraw/zinc/79/66/85/494796685.db2.gz RQXIPOFSGHDLDL-ZDUSSCGKSA-N 1 2 364.294 3.047 20 30 FGEDLO CCOc1c(Br)cc(C[N@@H+](CCC#N)CCOC)cc1OC ZINC000093099929 494825813 /nfs/dbraw/zinc/82/58/13/494825813.db2.gz QRAXEPKZFPKCRM-UHFFFAOYSA-N 1 2 371.275 3.218 20 30 FGEDLO CCOc1c(Br)cc(C[N@H+](CCC#N)CCOC)cc1OC ZINC000093099929 494825817 /nfs/dbraw/zinc/82/58/17/494825817.db2.gz QRAXEPKZFPKCRM-UHFFFAOYSA-N 1 2 371.275 3.218 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000121742519 494850507 /nfs/dbraw/zinc/85/05/07/494850507.db2.gz LDEVKQNLUCRVPX-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000121742519 494850511 /nfs/dbraw/zinc/85/05/11/494850511.db2.gz LDEVKQNLUCRVPX-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccnc2)c1C#N ZINC000132674864 494907550 /nfs/dbraw/zinc/90/75/50/494907550.db2.gz SPWJHYXMCOPVMU-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccnc2)c1C#N ZINC000132674864 494907555 /nfs/dbraw/zinc/90/75/55/494907555.db2.gz SPWJHYXMCOPVMU-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000117879513 494961049 /nfs/dbraw/zinc/96/10/49/494961049.db2.gz NGYLGAIEMMAPQZ-HXUWFJFHSA-N 1 2 350.418 3.316 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000110979718 495027748 /nfs/dbraw/zinc/02/77/48/495027748.db2.gz RULSBVDTHJCHOU-INIZCTEOSA-N 1 2 355.388 3.231 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000110979718 495027749 /nfs/dbraw/zinc/02/77/49/495027749.db2.gz RULSBVDTHJCHOU-INIZCTEOSA-N 1 2 355.388 3.231 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1Br ZINC000122917392 495051984 /nfs/dbraw/zinc/05/19/84/495051984.db2.gz WOKNJZSXTYECRI-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-c4[nH]cc[nH+]4)c3)cc2C1=O ZINC000134829383 495207581 /nfs/dbraw/zinc/20/75/81/495207581.db2.gz KNRMLWICAQRLCF-UHFFFAOYSA-N 1 2 372.384 3.111 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000119674697 495215154 /nfs/dbraw/zinc/21/51/54/495215154.db2.gz QVIWURXKHLMCHI-UHFFFAOYSA-N 1 2 365.418 3.062 20 30 FGEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C#N ZINC000135022086 495239849 /nfs/dbraw/zinc/23/98/49/495239849.db2.gz OQYIABRNXNOILO-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C#N ZINC000135022086 495239854 /nfs/dbraw/zinc/23/98/54/495239854.db2.gz OQYIABRNXNOILO-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000135066750 495246836 /nfs/dbraw/zinc/24/68/36/495246836.db2.gz OHPQHVFDYAQERP-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000135066750 495246840 /nfs/dbraw/zinc/24/68/40/495246840.db2.gz OHPQHVFDYAQERP-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000135120446 495253388 /nfs/dbraw/zinc/25/33/88/495253388.db2.gz HZUPOEVIKVDHMR-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000135194077 495261074 /nfs/dbraw/zinc/26/10/74/495261074.db2.gz ASTUCSVSAROSQI-HNNXBMFYSA-N 1 2 356.813 3.181 20 30 FGEDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000135194077 495261077 /nfs/dbraw/zinc/26/10/77/495261077.db2.gz ASTUCSVSAROSQI-HNNXBMFYSA-N 1 2 356.813 3.181 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574427538 505770842 /nfs/dbraw/zinc/77/08/42/505770842.db2.gz VJFQIPQCIKOGSZ-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574427538 505770845 /nfs/dbraw/zinc/77/08/45/505770845.db2.gz VJFQIPQCIKOGSZ-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000119888991 495263325 /nfs/dbraw/zinc/26/33/25/495263325.db2.gz JXDXRWXCHNEHAT-KBPBESRZSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000119888991 495263328 /nfs/dbraw/zinc/26/33/28/495263328.db2.gz JXDXRWXCHNEHAT-KBPBESRZSA-N 1 2 361.511 3.182 20 30 FGEDLO Cc1nc(SCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C#N)c(C)c1C ZINC000120296300 495346125 /nfs/dbraw/zinc/34/61/25/495346125.db2.gz MVHNJIHJKMKLKE-INIZCTEOSA-N 1 2 369.494 3.448 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1C ZINC000136374099 495375551 /nfs/dbraw/zinc/37/55/51/495375551.db2.gz NJJCXCFMIAOUPC-HNNXBMFYSA-N 1 2 353.422 3.130 20 30 FGEDLO N#CCSCCC[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136694318 495395078 /nfs/dbraw/zinc/39/50/78/495395078.db2.gz AKKFGBBEMSKEGF-CYBMUJFWSA-N 1 2 355.389 3.149 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1C#N ZINC000568825505 505785163 /nfs/dbraw/zinc/78/51/63/505785163.db2.gz NMVXSANDNJHPIM-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)c1C#N ZINC000568825505 505785167 /nfs/dbraw/zinc/78/51/67/505785167.db2.gz NMVXSANDNJHPIM-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO C=CCCOCC(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000149266511 495592534 /nfs/dbraw/zinc/59/25/34/495592534.db2.gz JKFIGFDYGSIXCH-UHFFFAOYSA-N 1 2 357.479 3.233 20 30 FGEDLO C=CCCOCC(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000149266511 495592537 /nfs/dbraw/zinc/59/25/37/495592537.db2.gz JKFIGFDYGSIXCH-UHFFFAOYSA-N 1 2 357.479 3.233 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185627192 495652273 /nfs/dbraw/zinc/65/22/73/495652273.db2.gz FDNIGSGNOHZUNS-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000185627192 495652275 /nfs/dbraw/zinc/65/22/75/495652275.db2.gz FDNIGSGNOHZUNS-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170928900 495656201 /nfs/dbraw/zinc/65/62/01/495656201.db2.gz UGYNBEDYPYTVDL-AWEZNQCLSA-N 1 2 356.495 3.229 20 30 FGEDLO CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170928900 495656208 /nfs/dbraw/zinc/65/62/08/495656208.db2.gz UGYNBEDYPYTVDL-AWEZNQCLSA-N 1 2 356.495 3.229 20 30 FGEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000182731804 495680671 /nfs/dbraw/zinc/68/06/71/495680671.db2.gz DFPQQQYPGOHMNW-BBRMVZONSA-N 1 2 367.453 3.085 20 30 FGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000185764608 495717585 /nfs/dbraw/zinc/71/75/85/495717585.db2.gz CTFNNMIRJOUTOA-UHFFFAOYSA-N 1 2 350.353 3.404 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000171143919 495742190 /nfs/dbraw/zinc/74/21/90/495742190.db2.gz LYXKFRUICCHCHQ-UHFFFAOYSA-N 1 2 366.469 3.432 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000179985833 495810992 /nfs/dbraw/zinc/81/09/92/495810992.db2.gz DSJNESMINMNOHN-UHFFFAOYSA-N 1 2 368.868 3.494 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039566 495832786 /nfs/dbraw/zinc/83/27/86/495832786.db2.gz BCSGGQRWCMBXNY-AEFFLSMTSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039566 495832793 /nfs/dbraw/zinc/83/27/93/495832793.db2.gz BCSGGQRWCMBXNY-AEFFLSMTSA-N 1 2 374.847 3.255 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000155252635 495891958 /nfs/dbraw/zinc/89/19/58/495891958.db2.gz XJEIQKGGTBLLDV-LJQANCHMSA-N 1 2 361.449 3.361 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc(OC)c1 ZINC000155269270 495897913 /nfs/dbraw/zinc/89/79/13/495897913.db2.gz QUNYMZDSOSSEQW-OAQYLSRUSA-N 1 2 351.450 3.086 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000186287501 495929005 /nfs/dbraw/zinc/92/90/05/495929005.db2.gz JFMZUILCNDHUBE-INIZCTEOSA-N 1 2 366.440 3.015 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000155534669 495987247 /nfs/dbraw/zinc/98/72/47/495987247.db2.gz PUWOSIXJMHCFJG-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000155534669 495987252 /nfs/dbraw/zinc/98/72/52/495987252.db2.gz PUWOSIXJMHCFJG-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO N#CCc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000171871090 496070706 /nfs/dbraw/zinc/07/07/06/496070706.db2.gz OHWNMILOHHAULG-QGZVFWFLSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000171871090 496070708 /nfs/dbraw/zinc/07/07/08/496070708.db2.gz OHWNMILOHHAULG-QGZVFWFLSA-N 1 2 369.415 3.425 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485400 496081171 /nfs/dbraw/zinc/08/11/71/496081171.db2.gz HUCWWUJGAONVAW-HXUWFJFHSA-N 1 2 356.466 3.444 20 30 FGEDLO Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)[nH+]1 ZINC000152255936 496096187 /nfs/dbraw/zinc/09/61/87/496096187.db2.gz NJIBENJTGIRCFL-UHFFFAOYSA-N 1 2 353.401 3.063 20 30 FGEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180715492 496116308 /nfs/dbraw/zinc/11/63/08/496116308.db2.gz WWJDVTFUDJZKCW-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180715492 496116310 /nfs/dbraw/zinc/11/63/10/496116310.db2.gz WWJDVTFUDJZKCW-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000152411801 496143835 /nfs/dbraw/zinc/14/38/35/496143835.db2.gz ZWVCIXNRAUPTBU-YGRLFVJLSA-N 1 2 358.294 3.112 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646333 496144770 /nfs/dbraw/zinc/14/47/70/496144770.db2.gz RNNHWADQCJKZEC-UHFFFAOYSA-N 1 2 350.466 3.154 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646333 496144774 /nfs/dbraw/zinc/14/47/74/496144774.db2.gz RNNHWADQCJKZEC-UHFFFAOYSA-N 1 2 350.466 3.154 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(Br)c1 ZINC000180905768 496193443 /nfs/dbraw/zinc/19/34/43/496193443.db2.gz MOLXNBQTCLTETR-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187028898 496259582 /nfs/dbraw/zinc/25/95/82/496259582.db2.gz ADOSGAWVQUUCFS-CQSZACIVSA-N 1 2 361.492 3.192 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187028898 496259587 /nfs/dbraw/zinc/25/95/87/496259587.db2.gz ADOSGAWVQUUCFS-CQSZACIVSA-N 1 2 361.492 3.192 20 30 FGEDLO N#CC1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CCCCC1 ZINC000181137132 496283017 /nfs/dbraw/zinc/28/30/17/496283017.db2.gz JLUHSVQFRMIHOH-UHFFFAOYSA-N 1 2 362.477 3.485 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(F)c1 ZINC000178038404 496298667 /nfs/dbraw/zinc/29/86/67/496298667.db2.gz LAAQOAZFLPTWPW-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(F)c1 ZINC000178038404 496298671 /nfs/dbraw/zinc/29/86/71/496298671.db2.gz LAAQOAZFLPTWPW-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000156676861 496309351 /nfs/dbraw/zinc/30/93/51/496309351.db2.gz BTRBIONKWXCCLQ-MRXNPFEDSA-N 1 2 367.474 3.287 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000156676861 496309355 /nfs/dbraw/zinc/30/93/55/496309355.db2.gz BTRBIONKWXCCLQ-MRXNPFEDSA-N 1 2 367.474 3.287 20 30 FGEDLO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336553 496338741 /nfs/dbraw/zinc/33/87/41/496338741.db2.gz NOKKBXJZWSCEJM-UONOGXRCSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336553 496338742 /nfs/dbraw/zinc/33/87/42/496338742.db2.gz NOKKBXJZWSCEJM-UONOGXRCSA-N 1 2 361.511 3.062 20 30 FGEDLO N#CCC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccco1 ZINC000153074350 496345331 /nfs/dbraw/zinc/34/53/31/496345331.db2.gz ACTKVATVVJDBNM-UHFFFAOYSA-N 1 2 351.406 3.072 20 30 FGEDLO N#CCC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccco1 ZINC000153074350 496345337 /nfs/dbraw/zinc/34/53/37/496345337.db2.gz ACTKVATVVJDBNM-UHFFFAOYSA-N 1 2 351.406 3.072 20 30 FGEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187236231 496353416 /nfs/dbraw/zinc/35/34/16/496353416.db2.gz TVLJJIAHPBUQDS-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187236231 496353420 /nfs/dbraw/zinc/35/34/20/496353420.db2.gz TVLJJIAHPBUQDS-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000156881455 496355418 /nfs/dbraw/zinc/35/54/18/496355418.db2.gz RCWJBGJBKIJOMG-NRFANRHFSA-N 1 2 366.486 3.484 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000156881455 496355425 /nfs/dbraw/zinc/35/54/25/496355425.db2.gz RCWJBGJBKIJOMG-NRFANRHFSA-N 1 2 366.486 3.484 20 30 FGEDLO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000184481049 496404225 /nfs/dbraw/zinc/40/42/25/496404225.db2.gz LJCONRFQDWLVKR-UHFFFAOYSA-N 1 2 367.409 3.480 20 30 FGEDLO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000184481049 496404228 /nfs/dbraw/zinc/40/42/28/496404228.db2.gz LJCONRFQDWLVKR-UHFFFAOYSA-N 1 2 367.409 3.480 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000157192195 496425544 /nfs/dbraw/zinc/42/55/44/496425544.db2.gz MTHDKLSZSPPFTN-CRAIPNDOSA-N 1 2 352.438 3.022 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569072691 505844445 /nfs/dbraw/zinc/84/44/45/505844445.db2.gz ROWFRZKIYNCGPT-TZQQIIETSA-N 1 2 373.545 3.458 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569072691 505844450 /nfs/dbraw/zinc/84/44/50/505844450.db2.gz ROWFRZKIYNCGPT-TZQQIIETSA-N 1 2 373.545 3.458 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000175560781 496442735 /nfs/dbraw/zinc/44/27/35/496442735.db2.gz YVYMGRJCOSTWPC-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569072692 505844546 /nfs/dbraw/zinc/84/45/46/505844546.db2.gz ROWFRZKIYNCGPT-ZGOJQLDESA-N 1 2 373.545 3.458 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569072692 505844553 /nfs/dbraw/zinc/84/45/53/505844553.db2.gz ROWFRZKIYNCGPT-ZGOJQLDESA-N 1 2 373.545 3.458 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000184578747 496447289 /nfs/dbraw/zinc/44/72/89/496447289.db2.gz NWBDAIKLXFMAGN-OAHLLOKOSA-N 1 2 373.478 3.397 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178504468 496478893 /nfs/dbraw/zinc/47/88/93/496478893.db2.gz KZTRHRZDFDGLEP-UHFFFAOYSA-N 1 2 374.444 3.277 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184665098 496484107 /nfs/dbraw/zinc/48/41/07/496484107.db2.gz KZVSTBXYDORWEQ-WBMJQRKESA-N 1 2 361.829 3.417 20 30 FGEDLO Cn1cc(C#N)c(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)n1 ZINC000153532857 496487464 /nfs/dbraw/zinc/48/74/64/496487464.db2.gz BAVDIJZOVJEVJS-UHFFFAOYSA-N 1 2 362.437 3.328 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000157545259 496500512 /nfs/dbraw/zinc/50/05/12/496500512.db2.gz ZGCGCDSYVQAQES-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178585328 496507123 /nfs/dbraw/zinc/50/71/23/496507123.db2.gz LDAIJEKOVOPTJN-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157579288 496507415 /nfs/dbraw/zinc/50/74/15/496507415.db2.gz KNJXJAXSSZBNFJ-QGZVFWFLSA-N 1 2 365.408 3.231 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157579288 496507419 /nfs/dbraw/zinc/50/74/19/496507419.db2.gz KNJXJAXSSZBNFJ-QGZVFWFLSA-N 1 2 365.408 3.231 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000184830972 496548875 /nfs/dbraw/zinc/54/88/75/496548875.db2.gz IDLYLQRWFIPTPE-MRXNPFEDSA-N 1 2 361.829 3.283 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184861075 496562424 /nfs/dbraw/zinc/56/24/24/496562424.db2.gz OHBCGEGHDRRIET-HNNXBMFYSA-N 1 2 352.438 3.335 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ncc(-c2ccccc2)o1 ZINC000184861091 496562667 /nfs/dbraw/zinc/56/26/67/496562667.db2.gz OHBCGEGHDRRIET-OAHLLOKOSA-N 1 2 352.438 3.335 20 30 FGEDLO C=CCCCCCN(C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000153782296 496577993 /nfs/dbraw/zinc/57/79/93/496577993.db2.gz GDGBGMWKUUDNPG-KRWDZBQOSA-N 1 2 360.502 3.195 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)nc1 ZINC000178921121 496617348 /nfs/dbraw/zinc/61/73/48/496617348.db2.gz NEHNLTXRWKTGRI-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185088864 496654717 /nfs/dbraw/zinc/65/47/17/496654717.db2.gz FBWUEWBAZFHPNZ-GFCCVEGCSA-N 1 2 365.368 3.037 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176051389 496660954 /nfs/dbraw/zinc/66/09/54/496660954.db2.gz HNNQFGORFZLKDH-INIZCTEOSA-N 1 2 374.847 3.084 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176051389 496660958 /nfs/dbraw/zinc/66/09/58/496660958.db2.gz HNNQFGORFZLKDH-INIZCTEOSA-N 1 2 374.847 3.084 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158300779 496669971 /nfs/dbraw/zinc/66/99/71/496669971.db2.gz VOQRTJOQAQEMJJ-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158300779 496669974 /nfs/dbraw/zinc/66/99/74/496669974.db2.gz VOQRTJOQAQEMJJ-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000185224970 496709673 /nfs/dbraw/zinc/70/96/73/496709673.db2.gz SLHVKUMBKZVSBZ-HNNXBMFYSA-N 1 2 373.501 3.453 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194885549 496748057 /nfs/dbraw/zinc/74/80/57/496748057.db2.gz WKSQPGAFRSFLQV-AWEZNQCLSA-N 1 2 366.421 3.129 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000194973785 496778547 /nfs/dbraw/zinc/77/85/47/496778547.db2.gz JOMZXZXEZIJDKH-ZDUSSCGKSA-N 1 2 352.276 3.204 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000194973785 496778554 /nfs/dbraw/zinc/77/85/54/496778554.db2.gz JOMZXZXEZIJDKH-ZDUSSCGKSA-N 1 2 352.276 3.204 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000273487045 496820321 /nfs/dbraw/zinc/82/03/21/496820321.db2.gz JQPVLGVGFYCYBP-VQIMIIECSA-N 1 2 369.465 3.454 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2ccccc2OCC#N)c1)[NH+]1CCOCC1 ZINC000264298834 496865378 /nfs/dbraw/zinc/86/53/78/496865378.db2.gz XDRVWKDFUFDFAL-INIZCTEOSA-N 1 2 365.433 3.234 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000273659892 496866062 /nfs/dbraw/zinc/86/60/62/496866062.db2.gz XRZHYKFTSGAYDF-CQSZACIVSA-N 1 2 357.483 3.061 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000191756210 496880281 /nfs/dbraw/zinc/88/02/81/496880281.db2.gz BLNSDEDTLXZLFV-UHFFFAOYSA-N 1 2 350.260 3.474 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000191756210 496880288 /nfs/dbraw/zinc/88/02/88/496880288.db2.gz BLNSDEDTLXZLFV-UHFFFAOYSA-N 1 2 350.260 3.474 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247666905 496903511 /nfs/dbraw/zinc/90/35/11/496903511.db2.gz QNJOCIABMANVBR-KPFFTGBYSA-N 1 2 366.465 3.268 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)CCCCOc3cccc(C#N)c3)cn2c1 ZINC000264672695 496959874 /nfs/dbraw/zinc/95/98/74/496959874.db2.gz MDZANEYVHOEQBJ-UHFFFAOYSA-N 1 2 362.433 3.380 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000269696607 496990281 /nfs/dbraw/zinc/99/02/81/496990281.db2.gz XKMKWTCWLOENHF-QRWLVFNGSA-N 1 2 370.884 3.422 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000248614862 497058221 /nfs/dbraw/zinc/05/82/21/497058221.db2.gz JVDLJCFCAYGMFL-CVEARBPZSA-N 1 2 371.462 3.302 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000248614862 497058223 /nfs/dbraw/zinc/05/82/23/497058223.db2.gz JVDLJCFCAYGMFL-CVEARBPZSA-N 1 2 371.462 3.302 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000248684236 497078732 /nfs/dbraw/zinc/07/87/32/497078732.db2.gz GRXMWEVCYUWCQT-QKKBWIMNSA-N 1 2 365.433 3.227 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000248684236 497078738 /nfs/dbraw/zinc/07/87/38/497078738.db2.gz GRXMWEVCYUWCQT-QKKBWIMNSA-N 1 2 365.433 3.227 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccon3)sc2C1 ZINC000265846973 497192799 /nfs/dbraw/zinc/19/27/99/497192799.db2.gz XVMHXDIEKHBXHM-LBPRGKRZSA-N 1 2 358.467 3.193 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccon3)sc2C1 ZINC000265846973 497192803 /nfs/dbraw/zinc/19/28/03/497192803.db2.gz XVMHXDIEKHBXHM-LBPRGKRZSA-N 1 2 358.467 3.193 20 30 FGEDLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000275163956 497247929 /nfs/dbraw/zinc/24/79/29/497247929.db2.gz VDZLNMOVAFKDHS-RDTXWAMCSA-N 1 2 358.461 3.078 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000249841943 497252829 /nfs/dbraw/zinc/25/28/29/497252829.db2.gz XVFGTRWXTTXEHZ-CXAGYDPISA-N 1 2 366.303 3.496 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000249841943 497252834 /nfs/dbraw/zinc/25/28/34/497252834.db2.gz XVFGTRWXTTXEHZ-CXAGYDPISA-N 1 2 366.303 3.496 20 30 FGEDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3ccc(C#N)cc3)nc2c1 ZINC000271648061 497408726 /nfs/dbraw/zinc/40/87/26/497408726.db2.gz ILYJLEMTJQPRFX-CYBMUJFWSA-N 1 2 369.446 3.344 20 30 FGEDLO CC(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267056631 497476594 /nfs/dbraw/zinc/47/65/94/497476594.db2.gz LCDVFFSNQKRKTJ-UHFFFAOYSA-N 1 2 352.400 3.247 20 30 FGEDLO CC(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267056631 497476597 /nfs/dbraw/zinc/47/65/97/497476597.db2.gz LCDVFFSNQKRKTJ-UHFFFAOYSA-N 1 2 352.400 3.247 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000572184067 505909269 /nfs/dbraw/zinc/90/92/69/505909269.db2.gz VBDGXXWYLQIRIW-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000572184067 505909270 /nfs/dbraw/zinc/90/92/70/505909270.db2.gz VBDGXXWYLQIRIW-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)N=S=N4)CC2)cc1 ZINC000271913717 497487465 /nfs/dbraw/zinc/48/74/65/497487465.db2.gz FNWQNPPOSGIXLS-UHFFFAOYSA-N 1 2 363.446 3.243 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705990 497515520 /nfs/dbraw/zinc/51/55/20/497515520.db2.gz HMGSASNSKNZIAV-IGCXYCKISA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705990 497515526 /nfs/dbraw/zinc/51/55/26/497515526.db2.gz HMGSASNSKNZIAV-IGCXYCKISA-N 1 2 365.271 3.089 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190543938 497522524 /nfs/dbraw/zinc/52/25/24/497522524.db2.gz SBHODNWQCZDMKB-MRXNPFEDSA-N 1 2 373.497 3.220 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267419395 497547003 /nfs/dbraw/zinc/54/70/03/497547003.db2.gz CIBROGJMETYDJD-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000194052549 497558517 /nfs/dbraw/zinc/55/85/17/497558517.db2.gz STXPLYFEJLEWGZ-UHFFFAOYSA-N 1 2 374.872 3.002 20 30 FGEDLO Cc1csc(C2([NH2+][C@@H]3CCN(c4sccc4C#N)C3=O)CCC2)n1 ZINC000267543742 497575315 /nfs/dbraw/zinc/57/53/15/497575315.db2.gz ASRXXRGLIPTJCJ-CYBMUJFWSA-N 1 2 358.492 3.159 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000246118097 497627435 /nfs/dbraw/zinc/62/74/35/497627435.db2.gz KMTFMLZFGNLHLW-UZLBHIALSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000246118097 497627443 /nfs/dbraw/zinc/62/74/43/497627443.db2.gz KMTFMLZFGNLHLW-UZLBHIALSA-N 1 2 372.852 3.025 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000272477838 497639504 /nfs/dbraw/zinc/63/95/04/497639504.db2.gz FPEHUCQBVSSFHZ-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000272477838 497639515 /nfs/dbraw/zinc/63/95/15/497639515.db2.gz FPEHUCQBVSSFHZ-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO COc1ccc(F)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000268030244 497663109 /nfs/dbraw/zinc/66/31/09/497663109.db2.gz YEFGRSFYGIWDTK-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000272596423 497675128 /nfs/dbraw/zinc/67/51/28/497675128.db2.gz QFAHGDOXSWQZEH-HNNXBMFYSA-N 1 2 351.372 3.436 20 30 FGEDLO CCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000191181679 497735618 /nfs/dbraw/zinc/73/56/18/497735618.db2.gz RMHFLTYHEGDDLU-UHFFFAOYSA-N 1 2 369.856 3.199 20 30 FGEDLO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000191181679 497735622 /nfs/dbraw/zinc/73/56/22/497735622.db2.gz RMHFLTYHEGDDLU-UHFFFAOYSA-N 1 2 369.856 3.199 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000194743915 497757213 /nfs/dbraw/zinc/75/72/13/497757213.db2.gz LARXYIAFZMTODY-IAGOWNOFSA-N 1 2 363.461 3.349 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000246509370 497759012 /nfs/dbraw/zinc/75/90/12/497759012.db2.gz QMKOFDAASPAWRN-TZIWHRDSSA-N 1 2 364.445 3.311 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000246509370 497759019 /nfs/dbraw/zinc/75/90/19/497759019.db2.gz QMKOFDAASPAWRN-TZIWHRDSSA-N 1 2 364.445 3.311 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000246594799 497784996 /nfs/dbraw/zinc/78/49/96/497784996.db2.gz MGKOHASDQKHDBJ-GDBMZVCRSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000246594799 497785001 /nfs/dbraw/zinc/78/50/01/497785001.db2.gz MGKOHASDQKHDBJ-GDBMZVCRSA-N 1 2 373.478 3.356 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329538617 497824156 /nfs/dbraw/zinc/82/41/56/497824156.db2.gz MMHUMJJRNYRFQK-OAHLLOKOSA-N 1 2 358.833 3.352 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000280624342 497830919 /nfs/dbraw/zinc/83/09/19/497830919.db2.gz RYFLOPPTUYTXRO-ZIAGYGMSSA-N 1 2 353.422 3.321 20 30 FGEDLO Cn1ccnc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329573496 497832572 /nfs/dbraw/zinc/83/25/72/497832572.db2.gz VDTPOIGHFOEAPJ-HNNXBMFYSA-N 1 2 356.474 3.301 20 30 FGEDLO Cn1ccnc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329573496 497832576 /nfs/dbraw/zinc/83/25/76/497832576.db2.gz VDTPOIGHFOEAPJ-HNNXBMFYSA-N 1 2 356.474 3.301 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@]23CCOC3)c2ccc(Cl)cc2)C1 ZINC000329608004 497842951 /nfs/dbraw/zinc/84/29/51/497842951.db2.gz MYSJGNKBPUSVJX-BMFAXAFESA-N 1 2 364.873 3.095 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@]23CCOC3)c2ccc(Cl)cc2)C1 ZINC000329608004 497842956 /nfs/dbraw/zinc/84/29/56/497842956.db2.gz MYSJGNKBPUSVJX-BMFAXAFESA-N 1 2 364.873 3.095 20 30 FGEDLO Cc1cc(N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)nc(C(C)C)[nH+]1 ZINC000581231455 505938578 /nfs/dbraw/zinc/93/85/78/505938578.db2.gz WBKULPYJKVCEAB-OAQYLSRUSA-N 1 2 367.497 3.031 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000575192640 505939641 /nfs/dbraw/zinc/93/96/41/505939641.db2.gz IYRMJZZARWIGER-JSGCOSHPSA-N 1 2 358.467 3.428 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H](CCO)C1 ZINC000329796367 497904110 /nfs/dbraw/zinc/90/41/10/497904110.db2.gz GWELRVXNHSJIBW-OAHLLOKOSA-N 1 2 354.454 3.136 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000292214722 497925405 /nfs/dbraw/zinc/92/54/05/497925405.db2.gz OPHXIBDGNOTXSW-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000292214722 497925412 /nfs/dbraw/zinc/92/54/12/497925412.db2.gz OPHXIBDGNOTXSW-OAHLLOKOSA-N 1 2 352.419 3.323 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)n2)C1 ZINC000329855493 497929048 /nfs/dbraw/zinc/92/90/48/497929048.db2.gz UCIWYVOLOCOFRG-OCVGTWLNSA-N 1 2 365.499 3.015 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)n2)C1 ZINC000329855493 497929053 /nfs/dbraw/zinc/92/90/53/497929053.db2.gz UCIWYVOLOCOFRG-OCVGTWLNSA-N 1 2 365.499 3.015 20 30 FGEDLO Cc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)nnn1CC1CCCC1 ZINC000329867539 497934251 /nfs/dbraw/zinc/93/42/51/497934251.db2.gz WDCTVYLELCBMQJ-UHFFFAOYSA-N 1 2 368.485 3.277 20 30 FGEDLO COc1ccc([C@@H](CNc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1OC ZINC000301092280 497948334 /nfs/dbraw/zinc/94/83/34/497948334.db2.gz MPWOBLCWRKNBAD-LJQANCHMSA-N 1 2 367.449 3.061 20 30 FGEDLO CC[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1[nH]cc[nH+]1 ZINC000329950670 497966452 /nfs/dbraw/zinc/96/64/52/497966452.db2.gz LZMXFXSETKHVPQ-OAHLLOKOSA-N 1 2 365.437 3.302 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000578503624 505955947 /nfs/dbraw/zinc/95/59/47/505955947.db2.gz BSQCEULDBTYQAX-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000578503624 505955949 /nfs/dbraw/zinc/95/59/49/505955949.db2.gz BSQCEULDBTYQAX-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329954485 497968559 /nfs/dbraw/zinc/96/85/59/497968559.db2.gz OLDSWRRODJPJOG-KDOFPFPSSA-N 1 2 366.531 3.421 20 30 FGEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329954485 497968567 /nfs/dbraw/zinc/96/85/67/497968567.db2.gz OLDSWRRODJPJOG-KDOFPFPSSA-N 1 2 366.531 3.421 20 30 FGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289013652 497979748 /nfs/dbraw/zinc/97/97/48/497979748.db2.gz FENQVOIJOXYKKW-DLBZAZTESA-N 1 2 352.438 3.464 20 30 FGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000289013652 497979752 /nfs/dbraw/zinc/97/97/52/497979752.db2.gz FENQVOIJOXYKKW-DLBZAZTESA-N 1 2 352.438 3.464 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1ccccc1 ZINC000329994758 497983622 /nfs/dbraw/zinc/98/36/22/497983622.db2.gz ZOEDQDMUCCFLIA-KBPBESRZSA-N 1 2 359.499 3.029 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1ccccc1 ZINC000329994758 497983630 /nfs/dbraw/zinc/98/36/30/497983630.db2.gz ZOEDQDMUCCFLIA-KBPBESRZSA-N 1 2 359.499 3.029 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)sc2C1 ZINC000285183487 498015580 /nfs/dbraw/zinc/01/55/80/498015580.db2.gz UTNZRTFAZHIQHI-UHFFFAOYSA-N 1 2 358.442 3.058 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)sc2C1 ZINC000285183487 498015585 /nfs/dbraw/zinc/01/55/85/498015585.db2.gz UTNZRTFAZHIQHI-UHFFFAOYSA-N 1 2 358.442 3.058 20 30 FGEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)NCCc1cccc2cccnc21 ZINC000330104038 498023744 /nfs/dbraw/zinc/02/37/44/498023744.db2.gz GRNCMFAZFLLGQJ-UHFFFAOYSA-N 1 2 353.466 3.379 20 30 FGEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)NCCc1cccc2cccnc21 ZINC000330104038 498023750 /nfs/dbraw/zinc/02/37/50/498023750.db2.gz GRNCMFAZFLLGQJ-UHFFFAOYSA-N 1 2 353.466 3.379 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)s1 ZINC000330139493 498036230 /nfs/dbraw/zinc/03/62/30/498036230.db2.gz WHZCTKPOFRBJMH-KBXCAEBGSA-N 1 2 352.500 3.037 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)s1 ZINC000330139493 498036240 /nfs/dbraw/zinc/03/62/40/498036240.db2.gz WHZCTKPOFRBJMH-KBXCAEBGSA-N 1 2 352.500 3.037 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@@]1=O ZINC000289191075 498053125 /nfs/dbraw/zinc/05/31/25/498053125.db2.gz AVVNGUZNJSDDRW-NNCILOIOSA-N 1 2 370.522 3.195 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@@]1=O ZINC000289191075 498053135 /nfs/dbraw/zinc/05/31/35/498053135.db2.gz AVVNGUZNJSDDRW-NNCILOIOSA-N 1 2 370.522 3.195 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)no1 ZINC000364657253 498071367 /nfs/dbraw/zinc/07/13/67/498071367.db2.gz AXLVLLKZQJWZPN-CQSZACIVSA-N 1 2 374.876 3.097 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)no1 ZINC000364657253 498071373 /nfs/dbraw/zinc/07/13/73/498071373.db2.gz AXLVLLKZQJWZPN-CQSZACIVSA-N 1 2 374.876 3.097 20 30 FGEDLO CCO[C@@H]1C[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000330244696 498075440 /nfs/dbraw/zinc/07/54/40/498075440.db2.gz KJDXUELAUAGENU-IAGOWNOFSA-N 1 2 360.502 3.351 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330253797 498080418 /nfs/dbraw/zinc/08/04/18/498080418.db2.gz JBUKUVVOLIJLQJ-NUEKZKHPSA-N 1 2 366.531 3.156 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330253797 498080425 /nfs/dbraw/zinc/08/04/25/498080425.db2.gz JBUKUVVOLIJLQJ-NUEKZKHPSA-N 1 2 366.531 3.156 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296563156 498096515 /nfs/dbraw/zinc/09/65/15/498096515.db2.gz HWENPWHKJYZUAN-ZWKOTPCHSA-N 1 2 350.466 3.147 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CCc2nc(C3CCCC3)no2)CCO1 ZINC000330330479 498106616 /nfs/dbraw/zinc/10/66/16/498106616.db2.gz NJCYDRCBUKXFHN-ZBFHGGJFSA-N 1 2 373.457 3.270 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc3nc(C)sc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330354359 498117733 /nfs/dbraw/zinc/11/77/33/498117733.db2.gz PNJVQDIHUARQHJ-OAHLLOKOSA-N 1 2 370.482 3.252 20 30 FGEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(C#N)nc4)CC3)n2)cc1 ZINC000301496774 498136445 /nfs/dbraw/zinc/13/64/45/498136445.db2.gz CJAMRSXGMNHRHT-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C=CCOCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000292760803 498137625 /nfs/dbraw/zinc/13/76/25/498137625.db2.gz SIABFKRUMPNWIO-UHFFFAOYSA-N 1 2 358.511 3.217 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650704 498160175 /nfs/dbraw/zinc/16/01/75/498160175.db2.gz PEAJZMCJEPDHFN-ZDUSSCGKSA-N 1 2 369.856 3.061 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650704 498160182 /nfs/dbraw/zinc/16/01/82/498160182.db2.gz PEAJZMCJEPDHFN-ZDUSSCGKSA-N 1 2 369.856 3.061 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)Cc3cccc(OCC#N)c3)ccc2n1C1CC1 ZINC000289522493 498178370 /nfs/dbraw/zinc/17/83/70/498178370.db2.gz DHVZGXBQUGYKNA-UHFFFAOYSA-N 1 2 374.444 3.441 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289551477 498189734 /nfs/dbraw/zinc/18/97/34/498189734.db2.gz NCENQQVAVIJBAI-IAOVAPTHSA-N 1 2 357.454 3.129 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289551477 498189738 /nfs/dbraw/zinc/18/97/38/498189738.db2.gz NCENQQVAVIJBAI-IAOVAPTHSA-N 1 2 357.454 3.129 20 30 FGEDLO CN(CC(C)(C)O)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000330989290 498231693 /nfs/dbraw/zinc/23/16/93/498231693.db2.gz SBRRDPBJCPDBLS-OAHLLOKOSA-N 1 2 371.884 3.233 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000281781701 498268223 /nfs/dbraw/zinc/26/82/23/498268223.db2.gz JFHJCKYUMRVJFN-UHFFFAOYSA-N 1 2 355.486 3.201 20 30 FGEDLO CCc1nc(C[NH+]2CCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000301832197 498283513 /nfs/dbraw/zinc/28/35/13/498283513.db2.gz TYMNBUFRXDPONN-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000297026679 498292770 /nfs/dbraw/zinc/29/27/70/498292770.db2.gz HDDPRRSWRVPPIC-QKLQHJQFSA-N 1 2 359.420 3.300 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000297026679 498292778 /nfs/dbraw/zinc/29/27/78/498292778.db2.gz HDDPRRSWRVPPIC-QKLQHJQFSA-N 1 2 359.420 3.300 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(Cc3ccc(F)cc3)no2)cc1C#N ZINC000365244019 498370267 /nfs/dbraw/zinc/37/02/67/498370267.db2.gz RRQODKQCPMNXIU-SFHVURJKSA-N 1 2 365.412 3.347 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(Cc3ccc(F)cc3)no2)cc1C#N ZINC000365244019 498370274 /nfs/dbraw/zinc/37/02/74/498370274.db2.gz RRQODKQCPMNXIU-SFHVURJKSA-N 1 2 365.412 3.347 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)no2)cc1C#N ZINC000365244011 498371543 /nfs/dbraw/zinc/37/15/43/498371543.db2.gz RRQODKQCPMNXIU-GOSISDBHSA-N 1 2 365.412 3.347 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)no2)cc1C#N ZINC000365244011 498371550 /nfs/dbraw/zinc/37/15/50/498371550.db2.gz RRQODKQCPMNXIU-GOSISDBHSA-N 1 2 365.412 3.347 20 30 FGEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000361466438 498396312 /nfs/dbraw/zinc/39/63/12/498396312.db2.gz XWQIXZDGSCCLIP-OAHLLOKOSA-N 1 2 372.498 3.033 20 30 FGEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000361466438 498396317 /nfs/dbraw/zinc/39/63/17/498396317.db2.gz XWQIXZDGSCCLIP-OAHLLOKOSA-N 1 2 372.498 3.033 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000282143263 498397436 /nfs/dbraw/zinc/39/74/36/498397436.db2.gz ZTLILDNARPONHQ-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO CC[C@H]1CCc2nc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)sc2C1 ZINC000282195512 498419013 /nfs/dbraw/zinc/41/90/13/498419013.db2.gz SHFDHYDTWKLRRT-ZDUSSCGKSA-N 1 2 361.515 3.110 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCC=C(Br)C2)c(-c2ccncc2)n1 ZINC000282220588 498428735 /nfs/dbraw/zinc/42/87/35/498428735.db2.gz HZAUQJZZFNFOAA-UHFFFAOYSA-N 1 2 372.270 3.343 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCC=C(Br)C2)c(-c2ccncc2)n1 ZINC000282220588 498428740 /nfs/dbraw/zinc/42/87/40/498428740.db2.gz HZAUQJZZFNFOAA-UHFFFAOYSA-N 1 2 372.270 3.343 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)CCCCC1 ZINC000365416120 498456671 /nfs/dbraw/zinc/45/66/71/498456671.db2.gz QODYFUXBYRGALB-UHFFFAOYSA-N 1 2 360.889 3.257 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877291 498483771 /nfs/dbraw/zinc/48/37/71/498483771.db2.gz HWIUQCHRKRRHML-GVDBMIGSSA-N 1 2 366.408 3.176 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877291 498483773 /nfs/dbraw/zinc/48/37/73/498483773.db2.gz HWIUQCHRKRRHML-GVDBMIGSSA-N 1 2 366.408 3.176 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282370175 498484658 /nfs/dbraw/zinc/48/46/58/498484658.db2.gz ZJUKBBWAJBFCAJ-AWEZNQCLSA-N 1 2 371.510 3.294 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000365488103 498493246 /nfs/dbraw/zinc/49/32/46/498493246.db2.gz DAUMJXIKUTXIFU-PXNSSMCTSA-N 1 2 358.449 3.024 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)c(F)c1 ZINC000572801800 506054408 /nfs/dbraw/zinc/05/44/08/506054408.db2.gz AHRYIUQRKSMEFQ-UHFFFAOYSA-N 1 2 368.334 3.483 20 30 FGEDLO COc1ccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1OCCCC#N ZINC000365666150 498587752 /nfs/dbraw/zinc/58/77/52/498587752.db2.gz UJQBQESZVUNXPC-UHFFFAOYSA-N 1 2 370.424 3.220 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@]3(C#N)CC34CCCC4)ccc2n1[C@H](C)CO ZINC000581710435 506050839 /nfs/dbraw/zinc/05/08/39/506050839.db2.gz KJTFJCCNWADPDB-ZUOKHONESA-N 1 2 352.438 3.311 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)c(F)c1 ZINC000297935505 498614666 /nfs/dbraw/zinc/61/46/66/498614666.db2.gz YULIFUAHGAYEFQ-UHFFFAOYSA-N 1 2 363.396 3.200 20 30 FGEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000282761923 498644979 /nfs/dbraw/zinc/64/49/79/498644979.db2.gz CFYSFWFUBYZBET-OAHLLOKOSA-N 1 2 372.542 3.146 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)OCC ZINC000363165388 498681156 /nfs/dbraw/zinc/68/11/56/498681156.db2.gz CQZYSYFKNWPBBV-HKUYNNGSSA-N 1 2 357.454 3.006 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298300431 498726079 /nfs/dbraw/zinc/72/60/79/498726079.db2.gz JHUIVQHUFSNLRJ-UHFFFAOYSA-N 1 2 359.389 3.000 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000298416224 498764604 /nfs/dbraw/zinc/76/46/04/498764604.db2.gz LAHLIEUVALTJLE-JQFCIGGWSA-N 1 2 355.417 3.030 20 30 FGEDLO C=CCCn1cc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1 ZINC000576150627 506088180 /nfs/dbraw/zinc/08/81/80/506088180.db2.gz VYSOEEPRSMEIQO-UHFFFAOYSA-N 1 2 362.437 3.306 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298470393 498782340 /nfs/dbraw/zinc/78/23/40/498782340.db2.gz OWYSVGXDLAKHBI-QGZVFWFLSA-N 1 2 372.469 3.256 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1sccc1C#N ZINC000328625510 498878557 /nfs/dbraw/zinc/87/85/57/498878557.db2.gz DFGAGUNYTKZCQS-KBPBESRZSA-N 1 2 363.483 3.366 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1sccc1C#N ZINC000328625510 498878564 /nfs/dbraw/zinc/87/85/64/498878564.db2.gz DFGAGUNYTKZCQS-KBPBESRZSA-N 1 2 363.483 3.366 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])N1CCc3c(F)ccc(F)c3C1)CCC2 ZINC000328654915 498891416 /nfs/dbraw/zinc/89/14/16/498891416.db2.gz MHCSZNHKTKKIEQ-CYBMUJFWSA-N 1 2 360.408 3.319 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCC(F)(F)C2)cn1 ZINC000328658483 498892823 /nfs/dbraw/zinc/89/28/23/498892823.db2.gz RCZWSVHKEJFMCP-ILXRZTDVSA-N 1 2 358.408 3.115 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCC(F)(F)C2)cn1 ZINC000328658483 498892830 /nfs/dbraw/zinc/89/28/30/498892830.db2.gz RCZWSVHKEJFMCP-ILXRZTDVSA-N 1 2 358.408 3.115 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](c3ccccc3)O[C@@H](C)C1)CCC2 ZINC000328705302 498907623 /nfs/dbraw/zinc/90/76/23/498907623.db2.gz LCTHJDJGVIPAHW-WDSOQIARSA-N 1 2 368.481 3.445 20 30 FGEDLO C[C@H]1CN(c2ccc(CNC(=O)c3coc(C4CCCC4)n3)c[nH+]2)CCO1 ZINC000328778632 498935752 /nfs/dbraw/zinc/93/57/52/498935752.db2.gz GJGOHJCEMTTYHD-AWEZNQCLSA-N 1 2 370.453 3.457 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)CCC2 ZINC000328775237 498935877 /nfs/dbraw/zinc/93/58/77/498935877.db2.gz HVRQNEVPQVTZHT-ROUUACIJSA-N 1 2 366.465 3.330 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000288080840 498939831 /nfs/dbraw/zinc/93/98/31/498939831.db2.gz RULQEBPFVBPEGI-SFHVURJKSA-N 1 2 350.466 3.183 20 30 FGEDLO CC(C)(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)S(=O)(=O)C1CC1 ZINC000328904421 498980983 /nfs/dbraw/zinc/98/09/83/498980983.db2.gz JIEAQPJVOOZFIJ-UHFFFAOYSA-N 1 2 370.559 3.345 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC4(CCC4)C3)n2)C1 ZINC000328942431 498993398 /nfs/dbraw/zinc/99/33/98/498993398.db2.gz FMVBHFJYWHJZNZ-CQSZACIVSA-N 1 2 364.515 3.175 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC4(CCC4)C3)n2)C1 ZINC000328942431 498993405 /nfs/dbraw/zinc/99/34/05/498993405.db2.gz FMVBHFJYWHJZNZ-CQSZACIVSA-N 1 2 364.515 3.175 20 30 FGEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028741 499020158 /nfs/dbraw/zinc/02/01/58/499020158.db2.gz KPCJVLSZHKFAFI-PWSUYJOCSA-N 1 2 371.466 3.266 20 30 FGEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028741 499020162 /nfs/dbraw/zinc/02/01/62/499020162.db2.gz KPCJVLSZHKFAFI-PWSUYJOCSA-N 1 2 371.466 3.266 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329040913 499022484 /nfs/dbraw/zinc/02/24/84/499022484.db2.gz SQXSTKDSNBHCKS-JCKWVBRZSA-N 1 2 358.486 3.397 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329073778 499033386 /nfs/dbraw/zinc/03/33/86/499033386.db2.gz OYCFYYTUZZQZAL-NZSAHSFTSA-N 1 2 360.502 3.410 20 30 FGEDLO Cc1nc(-c2ccc(C)c(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)c2)n[nH]1 ZINC000363879770 499037441 /nfs/dbraw/zinc/03/74/41/499037441.db2.gz ZSZYUCOQFOULJX-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO Cc1nc(-c2ccc(C)c(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)c2)n[nH]1 ZINC000363879770 499037445 /nfs/dbraw/zinc/03/74/45/499037445.db2.gz ZSZYUCOQFOULJX-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC000291741521 499052534 /nfs/dbraw/zinc/05/25/34/499052534.db2.gz YSXCIKPJRHGTAB-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO N#Cc1cnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000295620895 499064570 /nfs/dbraw/zinc/06/45/70/499064570.db2.gz WGQZZJWMRJOVRP-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO COCC1(C)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329177821 499064744 /nfs/dbraw/zinc/06/47/44/499064744.db2.gz NHJWNWXAWHXEGZ-HNNXBMFYSA-N 1 2 362.518 3.158 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229592 499078598 /nfs/dbraw/zinc/07/85/98/499078598.db2.gz CTXBBIROPAHGME-SFTDATJTSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229592 499078602 /nfs/dbraw/zinc/07/86/02/499078602.db2.gz CTXBBIROPAHGME-SFTDATJTSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229589 499078676 /nfs/dbraw/zinc/07/86/76/499078676.db2.gz CTXBBIROPAHGME-LEWJYISDSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229589 499078680 /nfs/dbraw/zinc/07/86/80/499078680.db2.gz CTXBBIROPAHGME-LEWJYISDSA-N 1 2 361.445 3.127 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692148 499082169 /nfs/dbraw/zinc/08/21/69/499082169.db2.gz DLTDMPHOUOORMN-YOEHRIQHSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692148 499082174 /nfs/dbraw/zinc/08/21/74/499082174.db2.gz DLTDMPHOUOORMN-YOEHRIQHSA-N 1 2 352.438 3.370 20 30 FGEDLO O=C(NCCc1ccc2ccccc2n1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329247537 499082932 /nfs/dbraw/zinc/08/29/32/499082932.db2.gz RVTVWSOHJXTKHP-HXUWFJFHSA-N 1 2 353.466 3.377 20 30 FGEDLO O=C(NCCc1ccc2ccccc2n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329247537 499082937 /nfs/dbraw/zinc/08/29/37/499082937.db2.gz RVTVWSOHJXTKHP-HXUWFJFHSA-N 1 2 353.466 3.377 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)c1 ZINC000364032058 499092606 /nfs/dbraw/zinc/09/26/06/499092606.db2.gz HKODHJAPWJVIPV-KRWDZBQOSA-N 1 2 374.419 3.440 20 30 FGEDLO CC(C)(CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000329458551 499124277 /nfs/dbraw/zinc/12/42/77/499124277.db2.gz REEIRFJPHJNHRI-KRWDZBQOSA-N 1 2 374.481 3.293 20 30 FGEDLO CC(C)(CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000329458551 499124280 /nfs/dbraw/zinc/12/42/80/499124280.db2.gz REEIRFJPHJNHRI-KRWDZBQOSA-N 1 2 374.481 3.293 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329488321 499127733 /nfs/dbraw/zinc/12/77/33/499127733.db2.gz RVBRNABGIUIZHK-LJQANCHMSA-N 1 2 372.513 3.377 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367135774 499153123 /nfs/dbraw/zinc/15/31/23/499153123.db2.gz PIJOHWUGFYRPGF-CQSZACIVSA-N 1 2 352.413 3.250 20 30 FGEDLO CCc1nccc([C@H]2CCC[N@@H+]([C@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237182 499200698 /nfs/dbraw/zinc/20/06/98/499200698.db2.gz UIZPIOXOCJQHGZ-PXNSSMCTSA-N 1 2 364.449 3.004 20 30 FGEDLO CCc1nccc([C@H]2CCC[N@H+]([C@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237182 499200700 /nfs/dbraw/zinc/20/07/00/499200700.db2.gz UIZPIOXOCJQHGZ-PXNSSMCTSA-N 1 2 364.449 3.004 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367871624 499240481 /nfs/dbraw/zinc/24/04/81/499240481.db2.gz SPPVWUKDUKUVLC-HZPDHXFCSA-N 1 2 350.422 3.228 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000371359618 499314798 /nfs/dbraw/zinc/31/47/98/499314798.db2.gz KQPNDHVCKUKQNU-SFHVURJKSA-N 1 2 357.417 3.312 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000371359618 499314799 /nfs/dbraw/zinc/31/47/99/499314799.db2.gz KQPNDHVCKUKQNU-SFHVURJKSA-N 1 2 357.417 3.312 20 30 FGEDLO C#CC[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000371367791 499315915 /nfs/dbraw/zinc/31/59/15/499315915.db2.gz BLYBBTTXQRUPRT-MJGOQNOKSA-N 1 2 350.466 3.149 20 30 FGEDLO CC(C)(C)c1ncc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458581 499329428 /nfs/dbraw/zinc/32/94/28/499329428.db2.gz LENCICAMMPXOHR-XCLFUZPHSA-N 1 2 366.490 3.286 20 30 FGEDLO CC(C)(C)c1ncc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458581 499329429 /nfs/dbraw/zinc/32/94/29/499329429.db2.gz LENCICAMMPXOHR-XCLFUZPHSA-N 1 2 366.490 3.286 20 30 FGEDLO C=CC[C@H]1N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CCCC1(C)C ZINC000368915697 499345846 /nfs/dbraw/zinc/34/58/46/499345846.db2.gz NWPZPYBMISBRPD-GOSISDBHSA-N 1 2 358.530 3.225 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)c2)c1 ZINC000378195444 499489302 /nfs/dbraw/zinc/48/93/02/499489302.db2.gz BRZMIXDLCXHRLJ-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)c2)c1 ZINC000378195444 499489303 /nfs/dbraw/zinc/48/93/03/499489303.db2.gz BRZMIXDLCXHRLJ-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CCCCC1 ZINC000378393597 499511301 /nfs/dbraw/zinc/51/13/01/499511301.db2.gz HZFCDCBGRHUCRJ-UHFFFAOYSA-N 1 2 358.873 3.167 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CCCCC1 ZINC000378393597 499511302 /nfs/dbraw/zinc/51/13/02/499511302.db2.gz HZFCDCBGRHUCRJ-UHFFFAOYSA-N 1 2 358.873 3.167 20 30 FGEDLO CCCn1nccc1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000375712809 499548176 /nfs/dbraw/zinc/54/81/76/499548176.db2.gz UXIPQVBOBQOGFZ-UHFFFAOYSA-N 1 2 357.483 3.044 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1Cl ZINC000375730004 499549688 /nfs/dbraw/zinc/54/96/88/499549688.db2.gz JMXXOLDJLSIBFZ-GOSISDBHSA-N 1 2 371.872 3.455 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1Cl ZINC000375730004 499549689 /nfs/dbraw/zinc/54/96/89/499549689.db2.gz JMXXOLDJLSIBFZ-GOSISDBHSA-N 1 2 371.872 3.455 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000376930466 499647310 /nfs/dbraw/zinc/64/73/10/499647310.db2.gz HLBFYDPGBMECAY-PMACEKPBSA-N 1 2 356.416 3.022 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000376930466 499647311 /nfs/dbraw/zinc/64/73/11/499647311.db2.gz HLBFYDPGBMECAY-PMACEKPBSA-N 1 2 356.416 3.022 20 30 FGEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000410223513 499649639 /nfs/dbraw/zinc/64/96/39/499649639.db2.gz FGIJPIJKFZQHSE-UHFFFAOYSA-N 1 2 357.364 3.431 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](CCC)Cc2ccccc2Br)C1=O ZINC000410339513 499656122 /nfs/dbraw/zinc/65/61/22/499656122.db2.gz TXXYEUAKGFSZJJ-MRXNPFEDSA-N 1 2 351.288 3.448 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](CCC)Cc2ccccc2Br)C1=O ZINC000410339513 499656123 /nfs/dbraw/zinc/65/61/23/499656123.db2.gz TXXYEUAKGFSZJJ-MRXNPFEDSA-N 1 2 351.288 3.448 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411954610 499806081 /nfs/dbraw/zinc/80/60/81/499806081.db2.gz UYDABPQFXPYRFE-SJLPKXTDSA-N 1 2 367.474 3.049 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411954610 499806082 /nfs/dbraw/zinc/80/60/82/499806082.db2.gz UYDABPQFXPYRFE-SJLPKXTDSA-N 1 2 367.474 3.049 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)c1C#N ZINC000579417748 506168683 /nfs/dbraw/zinc/16/86/83/506168683.db2.gz OMNJQZVNMRSOSW-UHFFFAOYSA-N 1 2 368.506 3.434 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000413577488 499995621 /nfs/dbraw/zinc/99/56/21/499995621.db2.gz NAWCLXRKHNZZJM-RBUKOAKNSA-N 1 2 352.482 3.285 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000413577488 499995623 /nfs/dbraw/zinc/99/56/23/499995623.db2.gz NAWCLXRKHNZZJM-RBUKOAKNSA-N 1 2 352.482 3.285 20 30 FGEDLO COC(=O)c1cccc(NC2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425247278 500055352 /nfs/dbraw/zinc/05/53/52/500055352.db2.gz ZIKGKGICBMICKM-UHFFFAOYSA-N 1 2 350.422 3.129 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C#N)CCC2)C[C@H](C)O1 ZINC000416783770 500119656 /nfs/dbraw/zinc/11/96/56/500119656.db2.gz WBYOPIVYINRGPF-HOTGVXAUSA-N 1 2 356.470 3.111 20 30 FGEDLO Cc1c(Cl)cccc1-n1ccnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414095599 500152215 /nfs/dbraw/zinc/15/22/15/500152215.db2.gz KOVBUVWEFMAURN-CQSZACIVSA-N 1 2 364.902 3.133 20 30 FGEDLO Cc1c(Cl)cccc1-n1ccnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414095599 500152216 /nfs/dbraw/zinc/15/22/16/500152216.db2.gz KOVBUVWEFMAURN-CQSZACIVSA-N 1 2 364.902 3.133 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425609670 500159173 /nfs/dbraw/zinc/15/91/73/500159173.db2.gz KMAFVHOCCLCNDT-MAZHCROVSA-N 1 2 357.845 3.154 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000418938110 500331683 /nfs/dbraw/zinc/33/16/83/500331683.db2.gz DHXFGHFKHLFOOT-OAQYLSRUSA-N 1 2 366.465 3.007 20 30 FGEDLO C=CCN1C(=O)N([C@H](C)c2[nH+]ccn2CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000420023061 500415009 /nfs/dbraw/zinc/41/50/09/500415009.db2.gz WVHJTNBDYXDYFM-WBVHZDCISA-N 1 2 352.438 3.026 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)nn1 ZINC000424294369 500482096 /nfs/dbraw/zinc/48/20/96/500482096.db2.gz KTSHONPENJQAEL-CYBMUJFWSA-N 1 2 356.861 3.462 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(F)c3C#N)[C@@H](C)C2)cc1 ZINC000428401794 500505218 /nfs/dbraw/zinc/50/52/18/500505218.db2.gz GSXAKGUYFGLPET-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc(F)c3C#N)[C@@H](C)C2)cc1 ZINC000428401794 500505219 /nfs/dbraw/zinc/50/52/19/500505219.db2.gz GSXAKGUYFGLPET-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)C[NH+]1CCC(Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000428408892 500506758 /nfs/dbraw/zinc/50/67/58/500506758.db2.gz LGNYUNQWTANOLR-UHFFFAOYSA-N 1 2 365.433 3.400 20 30 FGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747553 500555283 /nfs/dbraw/zinc/55/52/83/500555283.db2.gz NGDVQMADBPWGOX-QZTJIDSGSA-N 1 2 364.436 3.199 20 30 FGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747553 500555286 /nfs/dbraw/zinc/55/52/86/500555286.db2.gz NGDVQMADBPWGOX-QZTJIDSGSA-N 1 2 364.436 3.199 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421043558 500563069 /nfs/dbraw/zinc/56/30/69/500563069.db2.gz QZKZNSLYWIDGGE-YCRPNKLZSA-N 1 2 373.497 3.111 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000421043558 500563070 /nfs/dbraw/zinc/56/30/70/500563070.db2.gz QZKZNSLYWIDGGE-YCRPNKLZSA-N 1 2 373.497 3.111 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000437104573 500602898 /nfs/dbraw/zinc/60/28/98/500602898.db2.gz GKNVGHORUDYVBF-GGPKGHCWSA-N 1 2 354.425 3.337 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000437104573 500602901 /nfs/dbraw/zinc/60/29/01/500602901.db2.gz GKNVGHORUDYVBF-GGPKGHCWSA-N 1 2 354.425 3.337 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(OC(F)F)c1 ZINC000437439051 500644105 /nfs/dbraw/zinc/64/41/05/500644105.db2.gz MXQFZVTVYQHEPY-UHFFFAOYSA-N 1 2 359.376 3.187 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000433306423 500667447 /nfs/dbraw/zinc/66/74/47/500667447.db2.gz RCSYTZFHGWTCOX-GFCCVEGCSA-N 1 2 352.276 3.108 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000433306423 500667451 /nfs/dbraw/zinc/66/74/51/500667451.db2.gz RCSYTZFHGWTCOX-GFCCVEGCSA-N 1 2 352.276 3.108 20 30 FGEDLO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893330 500686682 /nfs/dbraw/zinc/68/66/82/500686682.db2.gz ZWWIZIAKQYNEJR-FCHUYYIVSA-N 1 2 374.488 3.042 20 30 FGEDLO CN1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893330 500686685 /nfs/dbraw/zinc/68/66/85/500686685.db2.gz ZWWIZIAKQYNEJR-FCHUYYIVSA-N 1 2 374.488 3.042 20 30 FGEDLO COC(=O)[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438319107 500769034 /nfs/dbraw/zinc/76/90/34/500769034.db2.gz GEPMSAYWAIRRLS-CTWPCTMYSA-N 1 2 365.433 3.147 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444676278 500877124 /nfs/dbraw/zinc/87/71/24/500877124.db2.gz NVFFBMYFRRMALZ-BDJLRTHQSA-N 1 2 369.375 3.180 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000439425551 500895672 /nfs/dbraw/zinc/89/56/72/500895672.db2.gz UQOXSMIVKNCYFL-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000440474440 501012179 /nfs/dbraw/zinc/01/21/79/501012179.db2.gz AYUXTWZNLBSTJL-LJQANCHMSA-N 1 2 363.465 3.099 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000440474440 501012182 /nfs/dbraw/zinc/01/21/82/501012182.db2.gz AYUXTWZNLBSTJL-LJQANCHMSA-N 1 2 363.465 3.099 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435889118 501042227 /nfs/dbraw/zinc/04/22/27/501042227.db2.gz RHQQGTWQSANPCY-AUUYWEPGSA-N 1 2 360.454 3.270 20 30 FGEDLO COc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)ccc1C#N ZINC000440802564 501050266 /nfs/dbraw/zinc/05/02/66/501050266.db2.gz DMTGZKQRMHCRMI-IBGZPJMESA-N 1 2 350.397 3.319 20 30 FGEDLO O[C@@H]([C@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665257 501054829 /nfs/dbraw/zinc/05/48/29/501054829.db2.gz CHTGPYBIHMGCME-UFBFGSQYSA-N 1 2 361.257 3.469 20 30 FGEDLO O[C@@H]([C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665257 501054831 /nfs/dbraw/zinc/05/48/31/501054831.db2.gz CHTGPYBIHMGCME-UFBFGSQYSA-N 1 2 361.257 3.469 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000446070214 501068903 /nfs/dbraw/zinc/06/89/03/501068903.db2.gz XXYLWZYEEXGFBJ-GOSISDBHSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000446070214 501068906 /nfs/dbraw/zinc/06/89/06/501068906.db2.gz XXYLWZYEEXGFBJ-GOSISDBHSA-N 1 2 372.513 3.123 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)c2ncc(Br)cc2C#N)c1C ZINC000450286325 501225895 /nfs/dbraw/zinc/22/58/95/501225895.db2.gz HFAHYAKGXGODIS-UHFFFAOYSA-N 1 2 361.243 3.373 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000451660376 501346504 /nfs/dbraw/zinc/34/65/04/501346504.db2.gz GKPYCYDBNWCKKT-FQEVSTJZSA-N 1 2 354.425 3.106 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000455751742 501378909 /nfs/dbraw/zinc/37/89/09/501378909.db2.gz NIMFOALFCPLMIN-UHFFFAOYSA-N 1 2 369.856 3.151 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCCOC(C)C)CC2)c1C ZINC000451951964 501407231 /nfs/dbraw/zinc/40/72/31/501407231.db2.gz FFIYNHRHVAUPFP-UHFFFAOYSA-N 1 2 362.514 3.380 20 30 FGEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000454032726 501447159 /nfs/dbraw/zinc/44/71/59/501447159.db2.gz OKPSATPOJYOELB-UHFFFAOYSA-N 1 2 354.454 3.371 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458585247 501480937 /nfs/dbraw/zinc/48/09/37/501480937.db2.gz FPXJAVRGSWPVMS-HOTGVXAUSA-N 1 2 366.868 3.415 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458585247 501480938 /nfs/dbraw/zinc/48/09/38/501480938.db2.gz FPXJAVRGSWPVMS-HOTGVXAUSA-N 1 2 366.868 3.415 20 30 FGEDLO Cc1cc(C)c(CNC(=O)NCCSCc2ccccc2C#N)c[nH+]1 ZINC000454225973 501486330 /nfs/dbraw/zinc/48/63/30/501486330.db2.gz RLFXVBLERZIAED-UHFFFAOYSA-N 1 2 354.479 3.303 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000456352340 501507186 /nfs/dbraw/zinc/50/71/86/501507186.db2.gz LREJUCSVQOPEOZ-CQSZACIVSA-N 1 2 369.444 3.008 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000459419276 501650225 /nfs/dbraw/zinc/65/02/25/501650225.db2.gz DYNPOMWXOGVCKI-UHFFFAOYSA-N 1 2 365.433 3.284 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)sc2C1 ZINC000454900590 501651827 /nfs/dbraw/zinc/65/18/27/501651827.db2.gz IXQBNHQPMXRGQR-UHFFFAOYSA-N 1 2 354.479 3.210 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)sc2C1 ZINC000454900590 501651830 /nfs/dbraw/zinc/65/18/30/501651830.db2.gz IXQBNHQPMXRGQR-UHFFFAOYSA-N 1 2 354.479 3.210 20 30 FGEDLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459450409 501655970 /nfs/dbraw/zinc/65/59/70/501655970.db2.gz AHOQLAFYDLLGTA-GXTWGEPZSA-N 1 2 363.483 3.016 20 30 FGEDLO C=CCC1(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCCC1 ZINC000454929314 501657465 /nfs/dbraw/zinc/65/74/65/501657465.db2.gz QMPAIFOCGIYZAK-KRWDZBQOSA-N 1 2 360.502 3.324 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)nc1 ZINC000459566306 501677963 /nfs/dbraw/zinc/67/79/63/501677963.db2.gz YNLNWDLASLWMBT-CQSZACIVSA-N 1 2 374.238 3.075 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)nc1 ZINC000459566306 501677965 /nfs/dbraw/zinc/67/79/65/501677965.db2.gz YNLNWDLASLWMBT-CQSZACIVSA-N 1 2 374.238 3.075 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457543783 501719120 /nfs/dbraw/zinc/71/91/20/501719120.db2.gz UJKLTEGCOAXLBT-HNNXBMFYSA-N 1 2 359.861 3.354 20 30 FGEDLO C=CC[C@@H](CO)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463699634 501797141 /nfs/dbraw/zinc/79/71/41/501797141.db2.gz REISYHUCNITDFU-OAHLLOKOSA-N 1 2 354.454 3.193 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCc4ccc(C(F)(F)F)cc4C3)cnc12 ZINC000602728038 506275231 /nfs/dbraw/zinc/27/52/31/506275231.db2.gz HUSFIJPIALDBBJ-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4ccc(C(F)(F)F)cc4C3)cnc12 ZINC000602728038 506275233 /nfs/dbraw/zinc/27/52/33/506275233.db2.gz HUSFIJPIALDBBJ-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO C=CC[C@H](CO)NC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000467658558 501840236 /nfs/dbraw/zinc/84/02/36/501840236.db2.gz WDJLDYVKIFJQAQ-DYVFJYSZSA-N 1 2 354.853 3.059 20 30 FGEDLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464818280 502103880 /nfs/dbraw/zinc/10/38/80/502103880.db2.gz LECHESWGEAKDQD-NHCUHLMSSA-N 1 2 363.461 3.083 20 30 FGEDLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464818280 502103882 /nfs/dbraw/zinc/10/38/82/502103882.db2.gz LECHESWGEAKDQD-NHCUHLMSSA-N 1 2 363.461 3.083 20 30 FGEDLO CCOC(=O)c1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000602773670 506294019 /nfs/dbraw/zinc/29/40/19/506294019.db2.gz WOCWOCMJJHPDIW-UHFFFAOYSA-N 1 2 371.462 3.235 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)c(F)c1 ZINC000464871474 502132152 /nfs/dbraw/zinc/13/21/52/502132152.db2.gz UACQOOHKWPCETI-UHFFFAOYSA-N 1 2 354.360 3.300 20 30 FGEDLO CCC[C@@H]1CN(c2[nH+]c(C)cc(N3CCO[C@@H](CCC)C3)c2C#N)CCO1 ZINC000596181333 506295808 /nfs/dbraw/zinc/29/58/08/506295808.db2.gz ZYHICUDCHVOUNW-ZWKOTPCHSA-N 1 2 372.513 3.272 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000486474632 502163676 /nfs/dbraw/zinc/16/36/76/502163676.db2.gz IBOLBCWESYKEDN-UHFFFAOYSA-N 1 2 350.426 3.170 20 30 FGEDLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)c1cccc(C#N)c1 ZINC000461782207 502199985 /nfs/dbraw/zinc/19/99/85/502199985.db2.gz AAKQHUSNRSSXMY-IFXJQAMLSA-N 1 2 362.408 3.440 20 30 FGEDLO CC#CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000483018728 502246962 /nfs/dbraw/zinc/24/69/62/502246962.db2.gz QOYFQLGLKSQCSU-INIZCTEOSA-N 1 2 351.853 3.156 20 30 FGEDLO CC#CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000483018728 502246965 /nfs/dbraw/zinc/24/69/65/502246965.db2.gz QOYFQLGLKSQCSU-INIZCTEOSA-N 1 2 351.853 3.156 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462026820 502279294 /nfs/dbraw/zinc/27/92/94/502279294.db2.gz OPTNCERXTGAITJ-KRWDZBQOSA-N 1 2 363.461 3.015 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c[nH+]1 ZINC000465535462 502295693 /nfs/dbraw/zinc/29/56/93/502295693.db2.gz YFDFITHJGZHPKU-OALUTQOASA-N 1 2 363.465 3.129 20 30 FGEDLO Cc1ccc(C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO)o1 ZINC000483211313 502315452 /nfs/dbraw/zinc/31/54/52/502315452.db2.gz OGBALOYVEYQUKO-UHFFFAOYSA-N 1 2 353.340 3.333 20 30 FGEDLO Cc1ccc(C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO)o1 ZINC000483211313 502315457 /nfs/dbraw/zinc/31/54/57/502315457.db2.gz OGBALOYVEYQUKO-UHFFFAOYSA-N 1 2 353.340 3.333 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000476097056 502383140 /nfs/dbraw/zinc/38/31/40/502383140.db2.gz ZVXWRBSTGVFEHR-UHFFFAOYSA-N 1 2 351.316 3.005 20 30 FGEDLO C=CCc1cc(CNC(=O)c2ccc3[nH+]ccn3c2)cc(OC)c1OC ZINC000483669813 502457875 /nfs/dbraw/zinc/45/78/75/502457875.db2.gz HZZCTFCGTDZLQV-UHFFFAOYSA-N 1 2 351.406 3.010 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472922256 502472865 /nfs/dbraw/zinc/47/28/65/502472865.db2.gz BWJWKZCLIFEGBD-KRWDZBQOSA-N 1 2 355.482 3.183 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000466086978 502474369 /nfs/dbraw/zinc/47/43/69/502474369.db2.gz QEDCGFRMMJYHID-SFTDATJTSA-N 1 2 366.509 3.354 20 30 FGEDLO COc1cccc(C=C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000473014583 502499543 /nfs/dbraw/zinc/49/95/43/502499543.db2.gz KEADEQKZMIBYFE-NRFANRHFSA-N 1 2 361.445 3.273 20 30 FGEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473020331 502501753 /nfs/dbraw/zinc/50/17/53/502501753.db2.gz GXMVYWVZFWPJJN-HOTGVXAUSA-N 1 2 361.486 3.420 20 30 FGEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473020331 502501758 /nfs/dbraw/zinc/50/17/58/502501758.db2.gz GXMVYWVZFWPJJN-HOTGVXAUSA-N 1 2 361.486 3.420 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOc2ccccc2C#N)C3)cc1 ZINC000487986254 502590769 /nfs/dbraw/zinc/59/07/69/502590769.db2.gz GVBOMKIOUILUDB-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOc2ccccc2C#N)C3)cc1 ZINC000487986254 502590771 /nfs/dbraw/zinc/59/07/71/502590771.db2.gz GVBOMKIOUILUDB-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO C[C@@H]1C[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@H](C)N1CC#N ZINC000602859887 506329818 /nfs/dbraw/zinc/32/98/18/506329818.db2.gz ZRKKNQOBCAJIGL-RFIQDPTOSA-N 1 2 374.337 3.019 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481086353 502751214 /nfs/dbraw/zinc/75/12/14/502751214.db2.gz DATRLDICTLCJEX-STQMWFEESA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481086353 502751219 /nfs/dbraw/zinc/75/12/19/502751219.db2.gz DATRLDICTLCJEX-STQMWFEESA-N 1 2 363.177 3.208 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485121421 502817270 /nfs/dbraw/zinc/81/72/70/502817270.db2.gz JFJWFOOTDMZWCL-SFHVURJKSA-N 1 2 366.509 3.170 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000500585318 502819770 /nfs/dbraw/zinc/81/97/70/502819770.db2.gz BFSZFXLPXHJDGX-UNEWFSDZSA-N 1 2 354.841 3.188 20 30 FGEDLO C=CCCc1ccccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000505028280 502841635 /nfs/dbraw/zinc/84/16/35/502841635.db2.gz BDBYBWDUMHDBNV-UHFFFAOYSA-N 1 2 366.465 3.359 20 30 FGEDLO C=CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000489062141 502871811 /nfs/dbraw/zinc/87/18/11/502871811.db2.gz SXJDPRPIADMSFA-UHFFFAOYSA-N 1 2 356.919 3.144 20 30 FGEDLO C=CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000489062141 502871814 /nfs/dbraw/zinc/87/18/14/502871814.db2.gz SXJDPRPIADMSFA-UHFFFAOYSA-N 1 2 356.919 3.144 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677322 502998319 /nfs/dbraw/zinc/99/83/19/502998319.db2.gz UQLJKIPUZYUIDC-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677322 502998323 /nfs/dbraw/zinc/99/83/23/502998323.db2.gz UQLJKIPUZYUIDC-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000505999825 503027128 /nfs/dbraw/zinc/02/71/28/503027128.db2.gz ONWFEXGWCWSEQO-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO Cc1ccc([C@@H](CNc2nc3c(cc2C#N)CCC3)[NH+]2CCOCC2)cc1 ZINC000510110696 503051510 /nfs/dbraw/zinc/05/15/10/503051510.db2.gz WJQBNOSORBCYNJ-OAQYLSRUSA-N 1 2 362.477 3.236 20 30 FGEDLO C=CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)c1nc2c(s1)CCCC2 ZINC000489911498 503063563 /nfs/dbraw/zinc/06/35/63/503063563.db2.gz SUVVPFPTBWHFOC-UHFFFAOYSA-N 1 2 365.462 3.435 20 30 FGEDLO C=CCc1ccc(OCC(=O)Nc2ccc3[nH+]c(C)cn3c2)c(OC)c1 ZINC000490260197 503143946 /nfs/dbraw/zinc/14/39/46/503143946.db2.gz WJUNINMAVDVJDK-UHFFFAOYSA-N 1 2 351.406 3.397 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000514600876 503146269 /nfs/dbraw/zinc/14/62/69/503146269.db2.gz UPNXXENUZSVGCK-OCCSQVGLSA-N 1 2 362.393 3.298 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510592875 503151659 /nfs/dbraw/zinc/15/16/59/503151659.db2.gz RQBPGSOQGAIWAU-UHFFFAOYSA-N 1 2 370.434 3.189 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000510592875 503151661 /nfs/dbraw/zinc/15/16/61/503151661.db2.gz RQBPGSOQGAIWAU-UHFFFAOYSA-N 1 2 370.434 3.189 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048115 506357887 /nfs/dbraw/zinc/35/78/87/506357887.db2.gz ACOJMNCZPURTEG-OAHLLOKOSA-N 1 2 373.522 3.114 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050298 506359256 /nfs/dbraw/zinc/35/92/56/506359256.db2.gz FVHHDZVCHLUCMM-OAQYLSRUSA-N 1 2 351.450 3.359 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050298 506359265 /nfs/dbraw/zinc/35/92/65/506359265.db2.gz FVHHDZVCHLUCMM-OAQYLSRUSA-N 1 2 351.450 3.359 20 30 FGEDLO Cc1[nH+]c(N2CCC[C@H](CC#N)C2)nc(N2CCC[C@H](CC#N)C2)c1F ZINC000596328645 506359190 /nfs/dbraw/zinc/35/91/90/506359190.db2.gz IFXIUCPZTPYHNL-HZPDHXFCSA-N 1 2 356.449 3.184 20 30 FGEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277961 503267205 /nfs/dbraw/zinc/26/72/05/503267205.db2.gz KKTCHIGMDPJYDG-SFHVURJKSA-N 1 2 374.488 3.048 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2ccncc2)cc1 ZINC000502771373 503268248 /nfs/dbraw/zinc/26/82/48/503268248.db2.gz WHZVVYLXUDMARD-UHFFFAOYSA-N 1 2 366.465 3.249 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2ccncc2)cc1 ZINC000502771373 503268254 /nfs/dbraw/zinc/26/82/54/503268254.db2.gz WHZVVYLXUDMARD-UHFFFAOYSA-N 1 2 366.465 3.249 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000515336661 503317965 /nfs/dbraw/zinc/31/79/65/503317965.db2.gz AOCCKMVVDGBXOO-GFCCVEGCSA-N 1 2 362.524 3.208 20 30 FGEDLO CCOCCOC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000499230822 503360337 /nfs/dbraw/zinc/36/03/37/503360337.db2.gz TZGUHAMQBMEYME-UHFFFAOYSA-N 1 2 366.461 3.375 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000515796071 503402502 /nfs/dbraw/zinc/40/25/02/503402502.db2.gz AFRRBAHNVFTNLP-UHFFFAOYSA-N 1 2 359.433 3.429 20 30 FGEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508508707 503508782 /nfs/dbraw/zinc/50/87/82/503508782.db2.gz XPMPWNQFFKLTNH-UHFFFAOYSA-N 1 2 371.916 3.392 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985206 503527060 /nfs/dbraw/zinc/52/70/60/503527060.db2.gz BYENOWVGUFHMJN-PMACEKPBSA-N 1 2 363.461 3.085 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985206 503527061 /nfs/dbraw/zinc/52/70/61/503527061.db2.gz BYENOWVGUFHMJN-PMACEKPBSA-N 1 2 363.461 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512413797 503541589 /nfs/dbraw/zinc/54/15/89/503541589.db2.gz AAMNJUIOAJKLFN-IAGOWNOFSA-N 1 2 356.466 3.416 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512413797 503541592 /nfs/dbraw/zinc/54/15/92/503541592.db2.gz AAMNJUIOAJKLFN-IAGOWNOFSA-N 1 2 356.466 3.416 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1ccc(CO)o1 ZINC000512415058 503542920 /nfs/dbraw/zinc/54/29/20/503542920.db2.gz JCSAKZDKOFKIJL-INIZCTEOSA-N 1 2 372.465 3.036 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1ccc(CO)o1 ZINC000512415058 503542924 /nfs/dbraw/zinc/54/29/24/503542924.db2.gz JCSAKZDKOFKIJL-INIZCTEOSA-N 1 2 372.465 3.036 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512532291 503578403 /nfs/dbraw/zinc/57/84/03/503578403.db2.gz OQZXYYOLRAAUKY-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512532291 503578405 /nfs/dbraw/zinc/57/84/05/503578405.db2.gz OQZXYYOLRAAUKY-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494664317 503586832 /nfs/dbraw/zinc/58/68/32/503586832.db2.gz XRTYAWYXTWPRAY-HIFRSBDPSA-N 1 2 373.522 3.326 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494664317 503586836 /nfs/dbraw/zinc/58/68/36/503586836.db2.gz XRTYAWYXTWPRAY-HIFRSBDPSA-N 1 2 373.522 3.326 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000509070197 503634933 /nfs/dbraw/zinc/63/49/33/503634933.db2.gz MJJPJDMDMYPUQD-UHFFFAOYSA-N 1 2 363.417 3.376 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)n1 ZINC000546211684 503673434 /nfs/dbraw/zinc/67/34/34/503673434.db2.gz AAAYVIDQADJHIN-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)cc2F)c1)C1CC1 ZINC000537032690 503783431 /nfs/dbraw/zinc/78/34/31/503783431.db2.gz YNKBEKIJPSZFEZ-UHFFFAOYSA-N 1 2 373.453 3.135 20 30 FGEDLO C[N@@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)cc2F)c1)C1CC1 ZINC000537032690 503783435 /nfs/dbraw/zinc/78/34/35/503783435.db2.gz YNKBEKIJPSZFEZ-UHFFFAOYSA-N 1 2 373.453 3.135 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533388312 503824785 /nfs/dbraw/zinc/82/47/85/503824785.db2.gz SIGVXSWFPSHZQD-LJQANCHMSA-N 1 2 352.482 3.301 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000533388312 503824790 /nfs/dbraw/zinc/82/47/90/503824790.db2.gz SIGVXSWFPSHZQD-LJQANCHMSA-N 1 2 352.482 3.301 20 30 FGEDLO Cn1cc([C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C)cn1 ZINC000537176090 503827653 /nfs/dbraw/zinc/82/76/53/503827653.db2.gz PYYLQOBTKGGCQN-QGZVFWFLSA-N 1 2 350.426 3.219 20 30 FGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C[C@@H](C)C#N ZINC000533402098 503833096 /nfs/dbraw/zinc/83/30/96/503833096.db2.gz WRLWGTBIJWJOOT-STQMWFEESA-N 1 2 357.527 3.422 20 30 FGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C[C@@H](C)C#N ZINC000533402098 503833098 /nfs/dbraw/zinc/83/30/98/503833098.db2.gz WRLWGTBIJWJOOT-STQMWFEESA-N 1 2 357.527 3.422 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000533478514 503859312 /nfs/dbraw/zinc/85/93/12/503859312.db2.gz JBIMGTNYFBQZAT-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000533478514 503859317 /nfs/dbraw/zinc/85/93/17/503859317.db2.gz JBIMGTNYFBQZAT-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccco2)c1 ZINC000533487482 503862648 /nfs/dbraw/zinc/86/26/48/503862648.db2.gz NCMQDMDTCSKKTN-NRFANRHFSA-N 1 2 351.450 3.399 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccco2)c1 ZINC000533487482 503862654 /nfs/dbraw/zinc/86/26/54/503862654.db2.gz NCMQDMDTCSKKTN-NRFANRHFSA-N 1 2 351.450 3.399 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCc4ccccc4CC3)CC2)cc1 ZINC000527689388 503897694 /nfs/dbraw/zinc/89/76/94/503897694.db2.gz YOIKLLZKHXCNQW-UHFFFAOYSA-N 1 2 373.500 3.398 20 30 FGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]2C ZINC000543809162 503900998 /nfs/dbraw/zinc/90/09/98/503900998.db2.gz CRVYDDKTRJUNMP-HOTGVXAUSA-N 1 2 355.482 3.345 20 30 FGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]2C ZINC000543809162 503901001 /nfs/dbraw/zinc/90/10/01/503901001.db2.gz CRVYDDKTRJUNMP-HOTGVXAUSA-N 1 2 355.482 3.345 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518076872 503903561 /nfs/dbraw/zinc/90/35/61/503903561.db2.gz MMRUWKSDUXXOBY-DOTOQJQBSA-N 1 2 350.528 3.398 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518076872 503903566 /nfs/dbraw/zinc/90/35/66/503903566.db2.gz MMRUWKSDUXXOBY-DOTOQJQBSA-N 1 2 350.528 3.398 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518076879 503903806 /nfs/dbraw/zinc/90/38/06/503903806.db2.gz MMRUWKSDUXXOBY-WBVHZDCISA-N 1 2 350.528 3.398 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518076879 503903811 /nfs/dbraw/zinc/90/38/11/503903811.db2.gz MMRUWKSDUXXOBY-WBVHZDCISA-N 1 2 350.528 3.398 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC(CC#N)CC2)c1)[NH+]1CCOCC1 ZINC000543828608 503906952 /nfs/dbraw/zinc/90/69/52/503906952.db2.gz APGWGKGGYYVORW-MRXNPFEDSA-N 1 2 356.470 3.237 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@]3(CCCCO3)[C@@H]1C#N)C2 ZINC000530309190 503919972 /nfs/dbraw/zinc/91/99/72/503919972.db2.gz HTHMZNWHGMOHAN-FYINFDKHSA-N 1 2 370.497 3.092 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@]3(CCCCO3)[C@@H]1C#N)CC2 ZINC000530309190 503919976 /nfs/dbraw/zinc/91/99/76/503919976.db2.gz HTHMZNWHGMOHAN-FYINFDKHSA-N 1 2 370.497 3.092 20 30 FGEDLO N#CCC1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000540977248 503962884 /nfs/dbraw/zinc/96/28/84/503962884.db2.gz MQMCWUGADGNJHM-AWEZNQCLSA-N 1 2 366.248 3.251 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544039549 503982985 /nfs/dbraw/zinc/98/29/85/503982985.db2.gz QNESHOKQESWHHU-QGZVFWFLSA-N 1 2 366.465 3.241 20 30 FGEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C ZINC000530777983 504085916 /nfs/dbraw/zinc/08/59/16/504085916.db2.gz FAUYMEFNOZHJBG-GOSISDBHSA-N 1 2 366.509 3.247 20 30 FGEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000528521417 504258123 /nfs/dbraw/zinc/25/81/23/504258123.db2.gz SRZOEYHCNVEKEF-IBGZPJMESA-N 1 2 360.413 3.106 20 30 FGEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000528521417 504258127 /nfs/dbraw/zinc/25/81/27/504258127.db2.gz SRZOEYHCNVEKEF-IBGZPJMESA-N 1 2 360.413 3.106 20 30 FGEDLO C=CCn1c(=O)c2c3c(sc2nc1SCCn1cc[nH+]c1)CCC3 ZINC000534934874 504284788 /nfs/dbraw/zinc/28/47/88/504284788.db2.gz RIEWRYPRJRVOFJ-UHFFFAOYSA-N 1 2 358.492 3.122 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)n1 ZINC000544931364 504303897 /nfs/dbraw/zinc/30/38/97/504303897.db2.gz FGQMNCJQXFCZLZ-UHFFFAOYSA-N 1 2 362.355 3.174 20 30 FGEDLO COc1nc2ccccc2cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000535068319 504332793 /nfs/dbraw/zinc/33/27/93/504332793.db2.gz CEQKEVKFIINXFA-UHFFFAOYSA-N 1 2 372.472 3.433 20 30 FGEDLO N#Cc1cnccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000548163109 504353309 /nfs/dbraw/zinc/35/33/09/504353309.db2.gz KYMXDSYGNJLWNX-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528736156 504356287 /nfs/dbraw/zinc/35/62/87/504356287.db2.gz RRKSAXFBFDHDGH-FQEVSTJZSA-N 1 2 367.474 3.418 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528736156 504356288 /nfs/dbraw/zinc/35/62/88/504356288.db2.gz RRKSAXFBFDHDGH-FQEVSTJZSA-N 1 2 367.474 3.418 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1C#N ZINC000535226359 504376866 /nfs/dbraw/zinc/37/68/66/504376866.db2.gz NELBYCDJRGLMBI-UHFFFAOYSA-N 1 2 362.429 3.440 20 30 FGEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000535370925 504416085 /nfs/dbraw/zinc/41/60/85/504416085.db2.gz PYZXZFOTJBLUCJ-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1C ZINC000548426016 504441356 /nfs/dbraw/zinc/44/13/56/504441356.db2.gz DANMJQLQHHNVBM-OXJNMPFZSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1C ZINC000548426016 504441359 /nfs/dbraw/zinc/44/13/59/504441359.db2.gz DANMJQLQHHNVBM-OXJNMPFZSA-N 1 2 355.482 3.049 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000542323753 504451522 /nfs/dbraw/zinc/45/15/22/504451522.db2.gz ZPGQAEUKLDBXDT-UHFFFAOYSA-N 1 2 366.490 3.497 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000542323753 504451524 /nfs/dbraw/zinc/45/15/24/504451524.db2.gz ZPGQAEUKLDBXDT-UHFFFAOYSA-N 1 2 366.490 3.497 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1F ZINC000539251383 504512806 /nfs/dbraw/zinc/51/28/06/504512806.db2.gz ZSWJYHBYNLVDNS-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1F ZINC000539251383 504512809 /nfs/dbraw/zinc/51/28/09/504512809.db2.gz ZSWJYHBYNLVDNS-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)OCC ZINC000535904720 504577836 /nfs/dbraw/zinc/57/78/36/504577836.db2.gz GLGOIZDKHUGSPM-HXUWFJFHSA-N 1 2 360.498 3.101 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccoc2)C2CCCCC2)nc1 ZINC000520881653 504602676 /nfs/dbraw/zinc/60/26/76/504602676.db2.gz ZWFZPDFKNPNGLG-UHFFFAOYSA-N 1 2 373.478 3.155 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccoc2)C2CCCCC2)nc1 ZINC000520881653 504602681 /nfs/dbraw/zinc/60/26/81/504602681.db2.gz ZWFZPDFKNPNGLG-UHFFFAOYSA-N 1 2 373.478 3.155 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)c3ccc(C#N)c(C)n3)ccc2n1C1CC1 ZINC000549015942 504656558 /nfs/dbraw/zinc/65/65/58/504656558.db2.gz GZOGHPNWPIZJOE-UHFFFAOYSA-N 1 2 359.433 3.439 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000542945344 504667767 /nfs/dbraw/zinc/66/77/67/504667767.db2.gz PZZNGXKAKROKJB-PSCUFVCCSA-N 1 2 369.509 3.373 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C2 ZINC000542945344 504667773 /nfs/dbraw/zinc/66/77/73/504667773.db2.gz PZZNGXKAKROKJB-PSCUFVCCSA-N 1 2 369.509 3.373 20 30 FGEDLO Cc1cc(Br)cn2cc(CNC(=O)c3cccc(C#N)c3)[nH+]c12 ZINC000546122114 504717241 /nfs/dbraw/zinc/71/72/41/504717241.db2.gz UPIFTGRZVLDRJS-UHFFFAOYSA-N 1 2 369.222 3.207 20 30 FGEDLO N#CCCC1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000521618668 504765256 /nfs/dbraw/zinc/76/52/56/504765256.db2.gz UGPYUCATTBICAV-UHFFFAOYSA-N 1 2 374.916 3.423 20 30 FGEDLO N#CCCC1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000521618668 504765259 /nfs/dbraw/zinc/76/52/59/504765259.db2.gz UGPYUCATTBICAV-UHFFFAOYSA-N 1 2 374.916 3.423 20 30 FGEDLO N#Cc1ccc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532902757 504772213 /nfs/dbraw/zinc/77/22/13/504772213.db2.gz NPMOBNTZAITEIN-LJQANCHMSA-N 1 2 370.384 3.091 20 30 FGEDLO N#Cc1c(C[NH+]2CCC(Oc3ncccc3F)CC2)cn2ccccc12 ZINC000556057142 504787764 /nfs/dbraw/zinc/78/77/64/504787764.db2.gz OTULYKZNXKMJNS-UHFFFAOYSA-N 1 2 350.397 3.388 20 30 FGEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)n1 ZINC000552974200 504796898 /nfs/dbraw/zinc/79/68/98/504796898.db2.gz UDWPBTRHXIAFAZ-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccnc(C#N)c4)CC3)n2)cc1 ZINC000552975243 504796922 /nfs/dbraw/zinc/79/69/22/504796922.db2.gz VZLMEVVMXGEEGI-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)on1 ZINC000562374769 504799536 /nfs/dbraw/zinc/79/95/36/504799536.db2.gz WKVFDLBEOXOQSV-UHFFFAOYSA-N 1 2 365.481 3.186 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000559349745 504842856 /nfs/dbraw/zinc/84/28/56/504842856.db2.gz LRMARIDXAWTKOJ-UKRRQHHQSA-N 1 2 366.465 3.253 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000559349745 504842861 /nfs/dbraw/zinc/84/28/61/504842861.db2.gz LRMARIDXAWTKOJ-UKRRQHHQSA-N 1 2 366.465 3.253 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000559350595 504843476 /nfs/dbraw/zinc/84/34/76/504843476.db2.gz OYOQQHWJLBGCKW-DZGCQCFKSA-N 1 2 368.456 3.443 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000559350595 504843479 /nfs/dbraw/zinc/84/34/79/504843479.db2.gz OYOQQHWJLBGCKW-DZGCQCFKSA-N 1 2 368.456 3.443 20 30 FGEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549692957 504874841 /nfs/dbraw/zinc/87/48/41/504874841.db2.gz YNRKVQXDTADSBT-UHFFFAOYSA-N 1 2 357.502 3.358 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000549822643 504907968 /nfs/dbraw/zinc/90/79/68/504907968.db2.gz UFZRBBUEUSGSEI-HOTGVXAUSA-N 1 2 364.449 3.123 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000565695214 504960436 /nfs/dbraw/zinc/96/04/36/504960436.db2.gz VIYBARXKYZSLIS-HTWSVDAQSA-N 1 2 351.454 3.139 20 30 FGEDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000566049251 505064727 /nfs/dbraw/zinc/06/47/27/505064727.db2.gz YOODDOFGKLQWST-GOSISDBHSA-N 1 2 367.497 3.113 20 30 FGEDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000566049251 505064733 /nfs/dbraw/zinc/06/47/33/505064733.db2.gz YOODDOFGKLQWST-GOSISDBHSA-N 1 2 367.497 3.113 20 30 FGEDLO COCc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000566588811 505214086 /nfs/dbraw/zinc/21/40/86/505214086.db2.gz YGHAHUJDZJVHIF-UHFFFAOYSA-N 1 2 361.442 3.344 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CC(c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000566948575 505319292 /nfs/dbraw/zinc/31/92/92/505319292.db2.gz LGHFGINDTIZGLH-GOSISDBHSA-N 1 2 374.469 3.373 20 30 FGEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000555268423 505395277 /nfs/dbraw/zinc/39/52/77/505395277.db2.gz LOFYLIQWACMUSF-INIZCTEOSA-N 1 2 374.558 3.392 20 30 FGEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000558673772 505459047 /nfs/dbraw/zinc/45/90/47/505459047.db2.gz SACFRYLTNVAMNH-UHFFFAOYSA-N 1 2 370.501 3.049 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000555653139 505487005 /nfs/dbraw/zinc/48/70/05/505487005.db2.gz BZGBNIQOAYSJGV-CQSZACIVSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000555653139 505487009 /nfs/dbraw/zinc/48/70/09/505487009.db2.gz BZGBNIQOAYSJGV-CQSZACIVSA-N 1 2 352.419 3.323 20 30 FGEDLO N#CC1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000555862864 505528663 /nfs/dbraw/zinc/52/86/63/505528663.db2.gz RVKOCRZDLYZYIU-OAHLLOKOSA-N 1 2 362.271 3.006 20 30 FGEDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000599370477 506431113 /nfs/dbraw/zinc/43/11/13/506431113.db2.gz INRPTEZZOGOKHO-YOEHRIQHSA-N 1 2 370.453 3.079 20 30 FGEDLO N#CC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCC1 ZINC000593158660 506431802 /nfs/dbraw/zinc/43/18/02/506431802.db2.gz CMJNMKNAJBOQMN-UHFFFAOYSA-N 1 2 353.426 3.168 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000596504677 506437215 /nfs/dbraw/zinc/43/72/15/506437215.db2.gz JYFDDVOCNBCUQM-QUCCMNQESA-N 1 2 351.454 3.186 20 30 FGEDLO Cc1cc(N2C[C@H](C)OC(C)(C)C2)c(C#N)c(N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC000589108592 506444422 /nfs/dbraw/zinc/44/44/22/506444422.db2.gz GFGZLAMLJIDGDX-HOTGVXAUSA-N 1 2 372.513 3.269 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4F)n3)C2)nc1 ZINC000599429695 506452531 /nfs/dbraw/zinc/45/25/31/506452531.db2.gz QMQJXDBSFMVUOL-INIZCTEOSA-N 1 2 364.380 3.401 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4ccccc4F)n3)C2)nc1 ZINC000599429695 506452538 /nfs/dbraw/zinc/45/25/38/506452538.db2.gz QMQJXDBSFMVUOL-INIZCTEOSA-N 1 2 364.380 3.401 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612149603 506462441 /nfs/dbraw/zinc/46/24/41/506462441.db2.gz WOENPXCNMFEAPM-JENIJYKNSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612149603 506462446 /nfs/dbraw/zinc/46/24/46/506462446.db2.gz WOENPXCNMFEAPM-JENIJYKNSA-N 1 2 362.424 3.045 20 30 FGEDLO COCc1cc(C#N)ccc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000603283672 506477237 /nfs/dbraw/zinc/47/72/37/506477237.db2.gz LVSNKRXSQFCWEO-IYBDPMFKSA-N 1 2 366.465 3.325 20 30 FGEDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000596599425 506482661 /nfs/dbraw/zinc/48/26/61/506482661.db2.gz UEGDKKRTIHSMFD-UHFFFAOYSA-N 1 2 360.408 3.478 20 30 FGEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C2 ZINC000596599425 506482664 /nfs/dbraw/zinc/48/26/64/506482664.db2.gz UEGDKKRTIHSMFD-UHFFFAOYSA-N 1 2 360.408 3.478 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000582958789 506510611 /nfs/dbraw/zinc/51/06/11/506510611.db2.gz IIOCCXQNKCYSJU-HOTGVXAUSA-N 1 2 373.522 3.399 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000582958789 506510615 /nfs/dbraw/zinc/51/06/15/506510615.db2.gz IIOCCXQNKCYSJU-HOTGVXAUSA-N 1 2 373.522 3.399 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597299 506522106 /nfs/dbraw/zinc/52/21/06/506522106.db2.gz RWOATWNVWNUFQA-HLLBOEOZSA-N 1 2 371.481 3.185 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597299 506522113 /nfs/dbraw/zinc/52/21/13/506522113.db2.gz RWOATWNVWNUFQA-HLLBOEOZSA-N 1 2 371.481 3.185 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000603501134 506531874 /nfs/dbraw/zinc/53/18/74/506531874.db2.gz SMRWJPRNMBLPPY-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000612346032 506537525 /nfs/dbraw/zinc/53/75/25/506537525.db2.gz BSNWBYNZBMWKOT-UHFFFAOYSA-N 1 2 359.389 3.459 20 30 FGEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000612346880 506537789 /nfs/dbraw/zinc/53/77/89/506537789.db2.gz ZSOBTCNKAMYRCP-UHFFFAOYSA-N 1 2 362.389 3.444 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C2CCCC2)cc1 ZINC000589430366 506544380 /nfs/dbraw/zinc/54/43/80/506544380.db2.gz AOZIWLYAUPMANL-UHFFFAOYSA-N 1 2 355.482 3.032 20 30 FGEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677724 506574339 /nfs/dbraw/zinc/57/43/39/506574339.db2.gz CZYATKBFHMBUBA-GOSISDBHSA-N 1 2 361.489 3.167 20 30 FGEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677724 506574346 /nfs/dbraw/zinc/57/43/46/506574346.db2.gz CZYATKBFHMBUBA-GOSISDBHSA-N 1 2 361.489 3.167 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)n(C(C)(C)C)n1 ZINC000599677703 506575297 /nfs/dbraw/zinc/57/52/97/506575297.db2.gz CLKDBNSMLWAYBB-UHFFFAOYSA-N 1 2 365.481 3.009 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)n(C(C)(C)C)n1 ZINC000599677703 506575303 /nfs/dbraw/zinc/57/53/03/506575303.db2.gz CLKDBNSMLWAYBB-UHFFFAOYSA-N 1 2 365.481 3.009 20 30 FGEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599680635 506577384 /nfs/dbraw/zinc/57/73/84/506577384.db2.gz VGKKJBBCEOERIX-OAHLLOKOSA-N 1 2 371.412 3.344 20 30 FGEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599680635 506577391 /nfs/dbraw/zinc/57/73/91/506577391.db2.gz VGKKJBBCEOERIX-OAHLLOKOSA-N 1 2 371.412 3.344 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)C2 ZINC000599686061 506581107 /nfs/dbraw/zinc/58/11/07/506581107.db2.gz MKGAQBFBUPZLEP-UHFFFAOYSA-N 1 2 353.853 3.081 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCc1cccc(Cl)c1)C2 ZINC000599686061 506581109 /nfs/dbraw/zinc/58/11/09/506581109.db2.gz MKGAQBFBUPZLEP-UHFFFAOYSA-N 1 2 353.853 3.081 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000593387280 506592228 /nfs/dbraw/zinc/59/22/28/506592228.db2.gz WYNLJPLUWUYPKT-DLBZAZTESA-N 1 2 362.424 3.093 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000593387280 506592236 /nfs/dbraw/zinc/59/22/36/506592236.db2.gz WYNLJPLUWUYPKT-DLBZAZTESA-N 1 2 362.424 3.093 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000593405067 506601916 /nfs/dbraw/zinc/60/19/16/506601916.db2.gz FIYHZNPOMIDTAU-QGZVFWFLSA-N 1 2 353.470 3.333 20 30 FGEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCC1 ZINC000593429925 506614867 /nfs/dbraw/zinc/61/48/67/506614867.db2.gz MEUBXCSSCRCMPH-RTBURBONSA-N 1 2 363.465 3.495 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccc(Cl)s3)CC1)CCC2 ZINC000603840055 506630257 /nfs/dbraw/zinc/63/02/57/506630257.db2.gz AIAXIHOKRBYXON-UHFFFAOYSA-N 1 2 358.898 3.479 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000593465834 506636021 /nfs/dbraw/zinc/63/60/21/506636021.db2.gz VEIMGLLLQFEQLP-KRWDZBQOSA-N 1 2 351.454 3.039 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000608883076 506736625 /nfs/dbraw/zinc/73/66/25/506736625.db2.gz UVFJIFLHDCPRDQ-UHFFFAOYSA-N 1 2 361.405 3.261 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)CC2 ZINC000599983998 506736645 /nfs/dbraw/zinc/73/66/45/506736645.db2.gz ZRHCQBUKNMPTEY-CQSZACIVSA-N 1 2 352.438 3.442 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)c1 ZINC000600111496 506781922 /nfs/dbraw/zinc/78/19/22/506781922.db2.gz JFEPTWXVHMCKIC-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cc1cn2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2[nH+]1 ZINC000597127297 506788720 /nfs/dbraw/zinc/78/87/20/506788720.db2.gz MWKKEAFKJIFMHT-UHFFFAOYSA-N 1 2 374.448 3.259 20 30 FGEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc2ccccc21 ZINC000609160769 506799350 /nfs/dbraw/zinc/79/93/50/506799350.db2.gz NXPSMPMCKUGJAJ-UHFFFAOYSA-N 1 2 364.474 3.184 20 30 FGEDLO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000600213140 506851447 /nfs/dbraw/zinc/85/14/47/506851447.db2.gz BZOPBQACJBMJJT-UHFFFAOYSA-N 1 2 367.405 3.236 20 30 FGEDLO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000600213140 506851451 /nfs/dbraw/zinc/85/14/51/506851451.db2.gz BZOPBQACJBMJJT-UHFFFAOYSA-N 1 2 367.405 3.236 20 30 FGEDLO C[N@@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590580384 506867989 /nfs/dbraw/zinc/86/79/89/506867989.db2.gz CADJBCPJUMNMNJ-YPMHNXCESA-N 1 2 354.813 3.226 20 30 FGEDLO C[N@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590580384 506867994 /nfs/dbraw/zinc/86/79/94/506867994.db2.gz CADJBCPJUMNMNJ-YPMHNXCESA-N 1 2 354.813 3.226 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600755 506876332 /nfs/dbraw/zinc/87/63/32/506876332.db2.gz MIESFTMMMHABDV-HNNXBMFYSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600755 506876337 /nfs/dbraw/zinc/87/63/37/506876337.db2.gz MIESFTMMMHABDV-HNNXBMFYSA-N 1 2 354.841 3.425 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNC(=O)CCCCC#N)[nH+]c12 ZINC000594004909 506877017 /nfs/dbraw/zinc/87/70/17/506877017.db2.gz CKQCPSORMTWSFK-UHFFFAOYSA-N 1 2 363.259 3.148 20 30 FGEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000609564183 506923992 /nfs/dbraw/zinc/92/39/92/506923992.db2.gz RCBFCBMEHMFHRQ-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO CC[C@H](C#N)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000594086485 506933060 /nfs/dbraw/zinc/93/30/60/506933060.db2.gz VWKQBFLYWANWHL-CVEARBPZSA-N 1 2 364.287 3.347 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609630673 506954251 /nfs/dbraw/zinc/95/42/51/506954251.db2.gz UPDGCRMUDKCQEV-KRWDZBQOSA-N 1 2 373.460 3.079 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(C#N)cc1 ZINC000609634689 506956767 /nfs/dbraw/zinc/95/67/67/506956767.db2.gz QIZHVQPKPBPJNX-SJORKVTESA-N 1 2 363.465 3.103 20 30 FGEDLO CCc1nc(C[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)cs1 ZINC000609892285 507039497 /nfs/dbraw/zinc/03/94/97/507039497.db2.gz QEMHBPQZTKWSFE-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000590951220 507056541 /nfs/dbraw/zinc/05/65/41/507056541.db2.gz INGGYZDBYGUGGH-UHFFFAOYSA-N 1 2 356.857 3.442 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000590953961 507057047 /nfs/dbraw/zinc/05/70/47/507057047.db2.gz UNTSKHUDNYKXQB-UHFFFAOYSA-N 1 2 365.389 3.267 20 30 FGEDLO COc1ccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000590954741 507057471 /nfs/dbraw/zinc/05/74/71/507057471.db2.gz XSKRSSGONHKWRE-UHFFFAOYSA-N 1 2 367.405 3.271 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000590952867 507057730 /nfs/dbraw/zinc/05/77/30/507057730.db2.gz RWHYMHCZERDRSF-UHFFFAOYSA-N 1 2 353.470 3.422 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000590952867 507057736 /nfs/dbraw/zinc/05/77/36/507057736.db2.gz RWHYMHCZERDRSF-UHFFFAOYSA-N 1 2 353.470 3.422 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000600741408 507094244 /nfs/dbraw/zinc/09/42/44/507094244.db2.gz NPSKLOYEVBKDRF-MRXNPFEDSA-N 1 2 366.795 3.333 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000584002632 507097749 /nfs/dbraw/zinc/09/77/49/507097749.db2.gz HAXGCIOQHDCNNW-HIFRSBDPSA-N 1 2 356.451 3.301 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@@H](C)O1 ZINC000610116451 507106084 /nfs/dbraw/zinc/10/60/84/507106084.db2.gz WTPNBSMMTWNAIY-HUUCEWRRSA-N 1 2 374.448 3.122 20 30 FGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(OC)cc3C#N)c[nH+]2)CC1 ZINC000600792141 507123923 /nfs/dbraw/zinc/12/39/23/507123923.db2.gz WNCPECKTUOOVKW-UHFFFAOYSA-N 1 2 351.406 3.018 20 30 FGEDLO CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000594428176 507126909 /nfs/dbraw/zinc/12/69/09/507126909.db2.gz WXAUMQACPJWEMZ-HNNXBMFYSA-N 1 2 354.458 3.119 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)ccc2n1C ZINC000610310313 507187362 /nfs/dbraw/zinc/18/73/62/507187362.db2.gz MJMSUFKQZBLFRG-FQEVSTJZSA-N 1 2 359.433 3.361 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942466 507189753 /nfs/dbraw/zinc/18/97/53/507189753.db2.gz YXLJBVXDZMYVQQ-UHFFFAOYSA-N 1 2 364.449 3.027 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000610331187 507198303 /nfs/dbraw/zinc/19/83/03/507198303.db2.gz ZALMKYKDGIJNBK-UHFFFAOYSA-N 1 2 351.332 3.375 20 30 FGEDLO N#CCCN(Cc1cn2cc(Br)ccc2[nH+]1)Cc1ccccn1 ZINC000610433169 507237508 /nfs/dbraw/zinc/23/75/08/507237508.db2.gz PBUMQYSPHYXOCV-UHFFFAOYSA-N 1 2 370.254 3.408 20 30 FGEDLO CC1(C)COc2cc(NCc3c[nH+]c4ccc(C#N)cn34)ccc2NC1=O ZINC000601159180 507282165 /nfs/dbraw/zinc/28/21/65/507282165.db2.gz IWHMHSBTENBVOA-UHFFFAOYSA-N 1 2 361.405 3.175 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)c1C#N ZINC000584442164 507346112 /nfs/dbraw/zinc/34/61/12/507346112.db2.gz XWHAOISOHNBHNC-UHFFFAOYSA-N 1 2 371.491 3.362 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CC4(CC4)C3)n2)O1 ZINC000601385228 507351632 /nfs/dbraw/zinc/35/16/32/507351632.db2.gz LCAUPVWSBGWNRM-NVXWUHKLSA-N 1 2 364.449 3.367 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CC4(CC4)C3)n2)O1 ZINC000601385228 507351639 /nfs/dbraw/zinc/35/16/39/507351639.db2.gz LCAUPVWSBGWNRM-NVXWUHKLSA-N 1 2 364.449 3.367 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000601390922 507353709 /nfs/dbraw/zinc/35/37/09/507353709.db2.gz YLBNPVMVBWBWBW-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000601390922 507353718 /nfs/dbraw/zinc/35/37/18/507353718.db2.gz YLBNPVMVBWBWBW-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000591894009 507398667 /nfs/dbraw/zinc/39/86/67/507398667.db2.gz AMPFGSKAEWHNQI-UHFFFAOYSA-N 1 2 363.396 3.438 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611260947 507587268 /nfs/dbraw/zinc/58/72/68/507587268.db2.gz GIPAHWWAWJOJJK-OAHLLOKOSA-N 1 2 356.495 3.238 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611260947 507587276 /nfs/dbraw/zinc/58/72/76/507587276.db2.gz GIPAHWWAWJOJJK-OAHLLOKOSA-N 1 2 356.495 3.238 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623441 507598573 /nfs/dbraw/zinc/59/85/73/507598573.db2.gz PJUZCYWUUOVLSF-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623441 507598579 /nfs/dbraw/zinc/59/85/79/507598579.db2.gz PJUZCYWUUOVLSF-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO CC(C)([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(C#N)c1 ZINC000595637346 507607028 /nfs/dbraw/zinc/60/70/28/507607028.db2.gz YFHHEPCWOUDVGM-UHFFFAOYSA-N 1 2 362.389 3.362 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000595723340 507648280 /nfs/dbraw/zinc/64/82/80/507648280.db2.gz WWQGCOFZRXUVJZ-INIZCTEOSA-N 1 2 362.474 3.257 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000586875448 507701294 /nfs/dbraw/zinc/70/12/94/507701294.db2.gz XMPQBJAZSQVGNO-IBGZPJMESA-N 1 2 361.401 3.118 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595838684 507708907 /nfs/dbraw/zinc/70/89/07/507708907.db2.gz CVKCYRBYWDLLCS-OPAMFIHVSA-N 1 2 365.477 3.431 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595838684 507708912 /nfs/dbraw/zinc/70/89/12/507708912.db2.gz CVKCYRBYWDLLCS-OPAMFIHVSA-N 1 2 365.477 3.431 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840602 507710245 /nfs/dbraw/zinc/71/02/45/507710245.db2.gz PUIDLMQDHVZNQE-BUXKBTBVSA-N 1 2 355.511 3.176 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840602 507710248 /nfs/dbraw/zinc/71/02/48/507710248.db2.gz PUIDLMQDHVZNQE-BUXKBTBVSA-N 1 2 355.511 3.176 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000602492459 507725778 /nfs/dbraw/zinc/72/57/78/507725778.db2.gz LVHWHPIPZNSLNP-KRWDZBQOSA-N 1 2 354.454 3.473 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000611562878 507741131 /nfs/dbraw/zinc/74/11/31/507741131.db2.gz VALNPXLUWDZSLV-KRWDZBQOSA-N 1 2 351.454 3.039 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)C1CCCCC1 ZINC000078696025 700285184 /nfs/dbraw/zinc/28/51/84/700285184.db2.gz UFQYZBXQUVAGQK-CYBMUJFWSA-N 1 2 351.878 3.351 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365981722 713861179 /nfs/dbraw/zinc/86/11/79/713861179.db2.gz VKSQHLQVKKOGFN-YOEHRIQHSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365981722 713861183 /nfs/dbraw/zinc/86/11/83/713861183.db2.gz VKSQHLQVKKOGFN-YOEHRIQHSA-N 1 2 353.388 3.295 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374096236 713899159 /nfs/dbraw/zinc/89/91/59/713899159.db2.gz XLPATXGPWHMMMG-UHFFFAOYSA-N 1 2 359.495 3.132 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000622769918 715089943 /nfs/dbraw/zinc/08/99/43/715089943.db2.gz ZCDXMKGDRZUZRA-QGZVFWFLSA-N 1 2 363.933 3.271 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=C2CCCc3nc(-c4ccc(Cl)cc4)sc32)N1 ZINC000779805883 724428325 /nfs/dbraw/zinc/42/83/25/724428325.db2.gz VAENKNFDPRYEHF-SNVBAGLBSA-N 1 2 359.886 3.441 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256333 716130948 /nfs/dbraw/zinc/13/09/48/716130948.db2.gz RVRADYCMQCLIRA-LIRRHRJNSA-N 1 2 367.873 3.293 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256333 716130951 /nfs/dbraw/zinc/13/09/51/716130951.db2.gz RVRADYCMQCLIRA-LIRRHRJNSA-N 1 2 367.873 3.293 20 30 FGEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OC(=O)c1cccs1 ZINC000790299561 723124570 /nfs/dbraw/zinc/12/45/70/723124570.db2.gz FNXFVNQZWXWKFB-UHFFFAOYSA-N 1 2 356.407 3.155 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C=NNc1[nH+]ccn1C ZINC000790299258 723124590 /nfs/dbraw/zinc/12/45/90/723124590.db2.gz AIKMCAJAULFUPT-UHFFFAOYSA-N 1 2 367.247 3.044 20 30 FGEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113952 723988775 /nfs/dbraw/zinc/98/87/75/723988775.db2.gz YWMIKZQTLXIJRJ-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000804810188 724552572 /nfs/dbraw/zinc/55/25/72/724552572.db2.gz RBEZPQZJQIYYBD-LBPRGKRZSA-N 1 2 359.626 3.278 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000804810188 724552573 /nfs/dbraw/zinc/55/25/73/724552573.db2.gz RBEZPQZJQIYYBD-LBPRGKRZSA-N 1 2 359.626 3.278 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)nn1 ZINC000653636925 719068686 /nfs/dbraw/zinc/06/86/86/719068686.db2.gz WHIXMEBWOCHLCZ-GFCCVEGCSA-N 1 2 365.275 3.476 20 30 FGEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660950324 720151091 /nfs/dbraw/zinc/15/10/91/720151091.db2.gz ORVRHOCUMQZFNT-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660950324 720151097 /nfs/dbraw/zinc/15/10/97/720151097.db2.gz ORVRHOCUMQZFNT-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)[C@H](C)COC ZINC000661243460 720214052 /nfs/dbraw/zinc/21/40/52/720214052.db2.gz KSYHGDXRMBFAGQ-LLVKDONJSA-N 1 2 355.360 3.377 20 30 FGEDLO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)[C@H](C)COC ZINC000661243460 720214056 /nfs/dbraw/zinc/21/40/56/720214056.db2.gz KSYHGDXRMBFAGQ-LLVKDONJSA-N 1 2 355.360 3.377 20 30 FGEDLO Cc1cc(C)nc(N=NCc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000783771996 724788360 /nfs/dbraw/zinc/78/83/60/724788360.db2.gz YJZWYJZUJWDUSP-UHFFFAOYSA-N 1 2 359.231 3.258 20 30 FGEDLO COC(=O)c1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c(OC)c1 ZINC000783861216 724797362 /nfs/dbraw/zinc/79/73/62/724797362.db2.gz BQUJKQQPMNBEBP-UHFFFAOYSA-N 1 2 356.407 3.175 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678655215 721971734 /nfs/dbraw/zinc/97/17/34/721971734.db2.gz GRSHVZRKRMYDCX-FUHWJXTLSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678655215 721971735 /nfs/dbraw/zinc/97/17/35/721971735.db2.gz GRSHVZRKRMYDCX-FUHWJXTLSA-N 1 2 354.853 3.323 20 30 FGEDLO C#Cc1cccc(N(C)C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000728536859 722452285 /nfs/dbraw/zinc/45/22/85/722452285.db2.gz IEFUSRBMHNKDLG-FQEVSTJZSA-N 1 2 350.487 3.421 20 30 FGEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccncc1 ZINC000734682335 722509190 /nfs/dbraw/zinc/50/91/90/722509190.db2.gz JIWVOIXDVREVFU-GOSISDBHSA-N 1 2 356.495 3.288 20 30 FGEDLO Cc1[nH+]cc(CN=Nc2cc(C)ncn2)n1-c1ccc(Br)cc1 ZINC000734980218 722511620 /nfs/dbraw/zinc/51/16/20/722511620.db2.gz XXEIGQKKWPWTJJ-UHFFFAOYSA-N 1 2 371.242 3.488 20 30 FGEDLO COCCn1cnn(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000746055982 722592735 /nfs/dbraw/zinc/59/27/35/722592735.db2.gz NKDIOTGDPYDIAT-UHFFFAOYSA-N 1 2 359.499 3.048 20 30 FGEDLO COCCn1cnn(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1=S ZINC000746055982 722592736 /nfs/dbraw/zinc/59/27/36/722592736.db2.gz NKDIOTGDPYDIAT-UHFFFAOYSA-N 1 2 359.499 3.048 20 30 FGEDLO O=C(C#Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000747202871 722636391 /nfs/dbraw/zinc/63/63/91/722636391.db2.gz AUYFHBJLBYYBGE-UHFFFAOYSA-N 1 2 352.865 3.426 20 30 FGEDLO O=C(C#Cc1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000747202871 722636392 /nfs/dbraw/zinc/63/63/92/722636392.db2.gz AUYFHBJLBYYBGE-UHFFFAOYSA-N 1 2 352.865 3.426 20 30 FGEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000753954546 722920127 /nfs/dbraw/zinc/92/01/27/722920127.db2.gz FSASNCNHMDZIGW-JTQLQIEISA-N 1 2 361.389 3.005 20 30 FGEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000753954546 722920130 /nfs/dbraw/zinc/92/01/30/722920130.db2.gz FSASNCNHMDZIGW-JTQLQIEISA-N 1 2 361.389 3.005 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228264 722951504 /nfs/dbraw/zinc/95/15/04/722951504.db2.gz UZLGNTFFRRYKHJ-AZUAARDMSA-N 1 2 356.828 3.392 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228264 722951505 /nfs/dbraw/zinc/95/15/05/722951505.db2.gz UZLGNTFFRRYKHJ-AZUAARDMSA-N 1 2 356.828 3.392 20 30 FGEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(I)cc2)n1 ZINC000757084814 722974153 /nfs/dbraw/zinc/97/41/53/722974153.db2.gz UKVIMQXJKZMBNE-UHFFFAOYSA-N 1 2 366.202 3.401 20 30 FGEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(I)cc2)n1 ZINC000757084814 722974154 /nfs/dbraw/zinc/97/41/54/722974154.db2.gz UKVIMQXJKZMBNE-UHFFFAOYSA-N 1 2 366.202 3.401 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000757702484 722978602 /nfs/dbraw/zinc/97/86/02/722978602.db2.gz CVUFQCXMKUGGKQ-KRWDZBQOSA-N 1 2 351.516 3.364 20 30 FGEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1=S ZINC000767499293 723621315 /nfs/dbraw/zinc/62/13/15/723621315.db2.gz IGQABDNOCZHWAS-CYBMUJFWSA-N 1 2 369.416 3.461 20 30 FGEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1=S ZINC000767499293 723621316 /nfs/dbraw/zinc/62/13/16/723621316.db2.gz IGQABDNOCZHWAS-CYBMUJFWSA-N 1 2 369.416 3.461 20 30 FGEDLO C=C[C@@](C)(CCOC)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796868411 723657836 /nfs/dbraw/zinc/65/78/36/723657836.db2.gz QEMUMXSWMYYDIN-SFHVURJKSA-N 1 2 352.381 3.395 20 30 FGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000769610672 723690661 /nfs/dbraw/zinc/69/06/61/723690661.db2.gz SOLGFTQILPFLHW-RMKNXTFCSA-N 1 2 362.357 3.227 20 30 FGEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)s1 ZINC000773178113 723778230 /nfs/dbraw/zinc/77/82/30/723778230.db2.gz SIOJSQOKEJBNDA-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO C#C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000799048334 723984754 /nfs/dbraw/zinc/98/47/54/723984754.db2.gz GEOABEANUBNSAM-IRXDYDNUSA-N 1 2 363.299 3.360 20 30 FGEDLO C[C@H](C#N)OCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000801655085 724321775 /nfs/dbraw/zinc/32/17/75/724321775.db2.gz QXRIRGJGNPXACP-OLZOCXBDSA-N 1 2 363.462 3.050 20 30 FGEDLO Cn1cc[nH+]c1NN=Cc1cc(Br)cc(Br)c1 ZINC000807986237 725178468 /nfs/dbraw/zinc/17/84/68/725178468.db2.gz ZHFJXBOMHOMTBF-UHFFFAOYSA-N 1 2 358.037 3.391 20 30 FGEDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405078 725306537 /nfs/dbraw/zinc/30/65/37/725306537.db2.gz MZFYXKYJESKFNN-VXGBXAGGSA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405078 725306538 /nfs/dbraw/zinc/30/65/38/725306538.db2.gz MZFYXKYJESKFNN-VXGBXAGGSA-N 1 2 372.284 3.296 20 30 FGEDLO CC(C)OCCO[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000812237490 725391420 /nfs/dbraw/zinc/39/14/20/725391420.db2.gz CJZODZRTQKKDMX-UHFFFAOYSA-N 1 2 350.850 3.367 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC000844450969 730721108 /nfs/dbraw/zinc/72/11/08/730721108.db2.gz IALRBVXKSZGDFR-OKILXGFUSA-N 1 2 353.800 3.092 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC000844450969 730721113 /nfs/dbraw/zinc/72/11/13/730721113.db2.gz IALRBVXKSZGDFR-OKILXGFUSA-N 1 2 353.800 3.092 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282182 730827105 /nfs/dbraw/zinc/82/71/05/730827105.db2.gz UATVIVFKWIDTJK-HUUCEWRRSA-N 1 2 361.467 3.042 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846883161 730991059 /nfs/dbraw/zinc/99/10/59/730991059.db2.gz BPRUXTDRUZKXML-OAHLLOKOSA-N 1 2 368.706 3.450 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000847053478 731012576 /nfs/dbraw/zinc/01/25/76/731012576.db2.gz PYYYYUYROZCYPT-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000847053478 731012579 /nfs/dbraw/zinc/01/25/79/731012579.db2.gz PYYYYUYROZCYPT-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000852752026 731629962 /nfs/dbraw/zinc/62/99/62/731629962.db2.gz SCNVPELNRTVNPB-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccc(Br)s2)no1 ZINC000852752026 731629963 /nfs/dbraw/zinc/62/99/63/731629963.db2.gz SCNVPELNRTVNPB-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C[C@H]1CN(c2ccc(NCc3cc(C#N)cnc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000877160980 736193892 /nfs/dbraw/zinc/19/38/92/736193892.db2.gz CBFJMBFZJWKLIH-STQMWFEESA-N 1 2 357.845 3.227 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700782 737034396 /nfs/dbraw/zinc/03/43/96/737034396.db2.gz MXRCIPMABDEXQH-HIFRSBDPSA-N 1 2 362.499 3.236 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700782 737034406 /nfs/dbraw/zinc/03/44/06/737034406.db2.gz MXRCIPMABDEXQH-HIFRSBDPSA-N 1 2 362.499 3.236 20 30 FGEDLO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007638 737097719 /nfs/dbraw/zinc/09/77/19/737097719.db2.gz KQXNJFYNODSDSW-GXTWGEPZSA-N 1 2 358.467 3.350 20 30 FGEDLO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007638 737097724 /nfs/dbraw/zinc/09/77/24/737097724.db2.gz KQXNJFYNODSDSW-GXTWGEPZSA-N 1 2 358.467 3.350 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000880479868 737179604 /nfs/dbraw/zinc/17/96/04/737179604.db2.gz ANXHHPIDCHMOFG-LBPRGKRZSA-N 1 2 355.265 3.171 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Br)c1 ZINC000886808021 739304109 /nfs/dbraw/zinc/30/41/09/739304109.db2.gz BLPXEURCLDZIIG-CYBMUJFWSA-N 1 2 363.177 3.067 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Br)c1 ZINC000886808021 739304112 /nfs/dbraw/zinc/30/41/12/739304112.db2.gz BLPXEURCLDZIIG-CYBMUJFWSA-N 1 2 363.177 3.067 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000896653828 742577787 /nfs/dbraw/zinc/57/77/87/742577787.db2.gz HHYIVGNOVMKZMD-MRXNPFEDSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(Br)cn3)C2)nc1 ZINC000896653828 742577791 /nfs/dbraw/zinc/57/77/91/742577791.db2.gz HHYIVGNOVMKZMD-MRXNPFEDSA-N 1 2 372.270 3.187 20 30 FGEDLO FC1(F)[C@@H]2C[NH+](Cc3cnccn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897053948 742636831 /nfs/dbraw/zinc/63/68/31/742636831.db2.gz DSIBXWZMKPOCGX-RKDXNWHRSA-N 1 2 361.236 3.079 20 30 FGEDLO CSCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1nnc2ccccn21 ZINC000902729811 743771462 /nfs/dbraw/zinc/77/14/62/743771462.db2.gz NWTXLOIDAWWPLL-UKRRQHHQSA-N 1 2 352.467 3.141 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953908 758827364 /nfs/dbraw/zinc/82/73/64/758827364.db2.gz ZBJAOQLVYLBPFS-ZWKOTPCHSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953908 758827373 /nfs/dbraw/zinc/82/73/73/758827373.db2.gz ZBJAOQLVYLBPFS-ZWKOTPCHSA-N 1 2 361.898 3.435 20 30 FGEDLO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(C#N)c1O ZINC000924807974 759395944 /nfs/dbraw/zinc/39/59/44/759395944.db2.gz PGYPSHWVGSBUIJ-SFHVURJKSA-N 1 2 358.463 3.169 20 30 FGEDLO COc1cc(C#N)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000930471722 760619090 /nfs/dbraw/zinc/61/90/90/760619090.db2.gz FRQKGGLRWGIXQL-UHFFFAOYSA-N 1 2 356.451 3.262 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cc(Br)ccc3F)CC2)C1 ZINC000933653143 761446583 /nfs/dbraw/zinc/44/65/83/761446583.db2.gz VKOYYPBZNXVJLA-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000933656339 761447535 /nfs/dbraw/zinc/44/75/35/761447535.db2.gz ILRHEFGLMGLQLS-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 ZINC000934463476 761633187 /nfs/dbraw/zinc/63/31/87/761633187.db2.gz WMAXPHNPIKBWBD-CQSZACIVSA-N 1 2 353.447 3.090 20 30 FGEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 ZINC000934463476 761633196 /nfs/dbraw/zinc/63/31/96/761633196.db2.gz WMAXPHNPIKBWBD-CQSZACIVSA-N 1 2 353.447 3.090 20 30 FGEDLO O=C(N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1)[C@]12C[C@H]1CCC2 ZINC000981653702 763513512 /nfs/dbraw/zinc/51/35/12/763513512.db2.gz BIGVIMDDNXUZPY-WIYYLYMNSA-N 1 2 356.897 3.416 20 30 FGEDLO O=C(N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1)[C@]12C[C@H]1CCC2 ZINC000981653702 763513519 /nfs/dbraw/zinc/51/35/19/763513519.db2.gz BIGVIMDDNXUZPY-WIYYLYMNSA-N 1 2 356.897 3.416 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001008575947 765680050 /nfs/dbraw/zinc/68/00/50/765680050.db2.gz UEAMJSCUPXJYMY-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001008575947 765680055 /nfs/dbraw/zinc/68/00/55/765680055.db2.gz UEAMJSCUPXJYMY-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001033295226 766213787 /nfs/dbraw/zinc/21/37/87/766213787.db2.gz RZITZUGUFSWZMK-CWRNSKLLSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001033295226 766213790 /nfs/dbraw/zinc/21/37/90/766213790.db2.gz RZITZUGUFSWZMK-CWRNSKLLSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334901 766587970 /nfs/dbraw/zinc/58/79/70/766587970.db2.gz YEFOPFJYDUNYCK-DLTWYDFYSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334901 766587972 /nfs/dbraw/zinc/58/79/72/766587972.db2.gz YEFOPFJYDUNYCK-DLTWYDFYSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001046632272 766596869 /nfs/dbraw/zinc/59/68/69/766596869.db2.gz WGWUDJYJZNUUIG-AYBZRNKSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001046632272 766596872 /nfs/dbraw/zinc/59/68/72/766596872.db2.gz WGWUDJYJZNUUIG-AYBZRNKSSA-N 1 2 366.864 3.151 20 30 FGEDLO COc1ccc([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2[nH+]ccn2C)cc1 ZINC000573616299 505579055 /nfs/dbraw/zinc/57/90/55/505579055.db2.gz RUCBTVITZAZYKK-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000048254776 493808631 /nfs/dbraw/zinc/80/86/31/493808631.db2.gz UEWYPIAETQIXCX-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000029227704 493826878 /nfs/dbraw/zinc/82/68/78/493826878.db2.gz QFKHNOCTLWZIPB-UHFFFAOYSA-N 1 2 374.391 3.347 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000577189019 505683297 /nfs/dbraw/zinc/68/32/97/505683297.db2.gz RNYDJJQUSSCXJE-UHFFFAOYSA-N 1 2 373.416 3.426 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000068570286 493843611 /nfs/dbraw/zinc/84/36/11/493843611.db2.gz BCYXQBJQJVJKBH-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000030229552 493881136 /nfs/dbraw/zinc/88/11/36/493881136.db2.gz ZYFZHEBVRSFOFS-FQEVSTJZSA-N 1 2 366.461 3.055 20 30 FGEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000076399904 493885738 /nfs/dbraw/zinc/88/57/38/493885738.db2.gz VDPXJVNGDCOGHG-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000076399904 493885742 /nfs/dbraw/zinc/88/57/42/493885742.db2.gz VDPXJVNGDCOGHG-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO COCC[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)cc1 ZINC000069072193 493915970 /nfs/dbraw/zinc/91/59/70/493915970.db2.gz DSPNPQTYBATSFB-UHFFFAOYSA-N 1 2 355.482 3.013 20 30 FGEDLO COCC[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(C#N)cc1 ZINC000069072193 493915972 /nfs/dbraw/zinc/91/59/72/493915972.db2.gz DSPNPQTYBATSFB-UHFFFAOYSA-N 1 2 355.482 3.013 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000076797880 493971975 /nfs/dbraw/zinc/97/19/75/493971975.db2.gz HGAFPBGQSDGIAT-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000052100854 494004721 /nfs/dbraw/zinc/00/47/21/494004721.db2.gz VNLBKYZZTZXXKN-UHFFFAOYSA-N 1 2 372.494 3.229 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000052100854 494004722 /nfs/dbraw/zinc/00/47/22/494004722.db2.gz VNLBKYZZTZXXKN-UHFFFAOYSA-N 1 2 372.494 3.229 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297590 494041098 /nfs/dbraw/zinc/04/10/98/494041098.db2.gz USEKPASYRLDECZ-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297590 494041102 /nfs/dbraw/zinc/04/11/02/494041102.db2.gz USEKPASYRLDECZ-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000063300669 494042323 /nfs/dbraw/zinc/04/23/23/494042323.db2.gz APBJQTXAPVKUIY-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000063300669 494042326 /nfs/dbraw/zinc/04/23/26/494042326.db2.gz APBJQTXAPVKUIY-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000077318516 494056817 /nfs/dbraw/zinc/05/68/17/494056817.db2.gz FHPOPCDYJOHEFZ-QGZVFWFLSA-N 1 2 369.469 3.030 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000077318516 494056822 /nfs/dbraw/zinc/05/68/22/494056822.db2.gz FHPOPCDYJOHEFZ-QGZVFWFLSA-N 1 2 369.469 3.030 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N(C)C[C@@H](C)C#N)cn2c1 ZINC000063747093 494083097 /nfs/dbraw/zinc/08/30/97/494083097.db2.gz DQUMNSSZNLXOAO-INIZCTEOSA-N 1 2 362.433 3.453 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000580198304 505701214 /nfs/dbraw/zinc/70/12/14/505701214.db2.gz YMKSCJMZVCBXTB-JOCHJYFZSA-N 1 2 360.461 3.263 20 30 FGEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000053551372 494146866 /nfs/dbraw/zinc/14/68/66/494146866.db2.gz JFNVXAPKPCEYNL-GOSISDBHSA-N 1 2 362.477 3.189 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)no1 ZINC000077905555 494198964 /nfs/dbraw/zinc/19/89/64/494198964.db2.gz XUVGONURUMUKQT-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO CCc1c(C)sc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000078106090 494232554 /nfs/dbraw/zinc/23/25/54/494232554.db2.gz JEHFUBBMOGBDFM-GOSISDBHSA-N 1 2 369.490 3.330 20 30 FGEDLO CCc1c(C)sc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000078106090 494232560 /nfs/dbraw/zinc/23/25/60/494232560.db2.gz JEHFUBBMOGBDFM-GOSISDBHSA-N 1 2 369.490 3.330 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000072883653 494275351 /nfs/dbraw/zinc/27/53/51/494275351.db2.gz YOLYCNIXOWMHKO-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000066178358 494284970 /nfs/dbraw/zinc/28/49/70/494284970.db2.gz DGFXQVIDJKGMCP-UHFFFAOYSA-N 1 2 351.454 3.139 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000078621936 494332893 /nfs/dbraw/zinc/33/28/93/494332893.db2.gz GNGUCMDNVVKPTK-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000078621936 494332899 /nfs/dbraw/zinc/33/28/99/494332899.db2.gz GNGUCMDNVVKPTK-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO COc1ccc([C@@H](NC(=O)Nc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000045029402 494392118 /nfs/dbraw/zinc/39/21/18/494392118.db2.gz QAYBKUVUEFNPGU-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000017066974 494406412 /nfs/dbraw/zinc/40/64/12/494406412.db2.gz NOVZXDVMABVZDT-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000017843635 494418047 /nfs/dbraw/zinc/41/80/47/494418047.db2.gz FQNWIPMRFRVAOV-UHFFFAOYSA-N 1 2 359.473 3.395 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066849398 494423582 /nfs/dbraw/zinc/42/35/82/494423582.db2.gz DNLUMLRWKVPXNH-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066849398 494423587 /nfs/dbraw/zinc/42/35/87/494423587.db2.gz DNLUMLRWKVPXNH-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000066899919 494435432 /nfs/dbraw/zinc/43/54/32/494435432.db2.gz JFBBZBBDXZQKLF-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000066899919 494435435 /nfs/dbraw/zinc/43/54/35/494435435.db2.gz JFBBZBBDXZQKLF-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000046040723 494488944 /nfs/dbraw/zinc/48/89/44/494488944.db2.gz CTDNYONAIBVZFL-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000046171440 494500745 /nfs/dbraw/zinc/50/07/45/494500745.db2.gz GEEGBPLFSRBXSY-IAQYHMDHSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000046171440 494500748 /nfs/dbraw/zinc/50/07/48/494500748.db2.gz GEEGBPLFSRBXSY-IAQYHMDHSA-N 1 2 372.332 3.385 20 30 FGEDLO Cc1nn(-c2ccccc2)c(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000091073551 494524170 /nfs/dbraw/zinc/52/41/70/494524170.db2.gz MDFDJPLRKRYXBK-OXJNMPFZSA-N 1 2 360.465 3.332 20 30 FGEDLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056842210 494574675 /nfs/dbraw/zinc/57/46/75/494574675.db2.gz BYJVENTVSIEIRY-QFIPXVFZSA-N 1 2 374.488 3.381 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000131470101 494629282 /nfs/dbraw/zinc/62/92/82/494629282.db2.gz JVDLJCFCAYGMFL-JKSUJKDBSA-N 1 2 371.462 3.302 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000131470101 494629291 /nfs/dbraw/zinc/62/92/91/494629291.db2.gz JVDLJCFCAYGMFL-JKSUJKDBSA-N 1 2 371.462 3.302 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N(C)C[C@H](C)C#N)cc3)[nH+]c12 ZINC000068081867 494754612 /nfs/dbraw/zinc/75/46/12/494754612.db2.gz IKOPKENGEZDPDF-OAHLLOKOSA-N 1 2 362.433 3.453 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)cc1OC ZINC000093056132 494818056 /nfs/dbraw/zinc/81/80/56/494818056.db2.gz RHJPSJAMLJVGIF-UHFFFAOYSA-N 1 2 371.481 3.183 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000121650825 494830585 /nfs/dbraw/zinc/83/05/85/494830585.db2.gz PHBHOHSCPQHBGK-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000121650825 494830589 /nfs/dbraw/zinc/83/05/89/494830589.db2.gz PHBHOHSCPQHBGK-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121650825 494830595 /nfs/dbraw/zinc/83/05/95/494830595.db2.gz PHBHOHSCPQHBGK-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121650825 494830599 /nfs/dbraw/zinc/83/05/99/494830599.db2.gz PHBHOHSCPQHBGK-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000109128881 494835533 /nfs/dbraw/zinc/83/55/33/494835533.db2.gz MKDYUMWMKZWWAY-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000116973259 494878457 /nfs/dbraw/zinc/87/84/57/494878457.db2.gz SPMAWWRCQHYVCP-HNNXBMFYSA-N 1 2 351.878 3.011 20 30 FGEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1OC ZINC000121977027 494902702 /nfs/dbraw/zinc/90/27/02/494902702.db2.gz SCTFICVAZVSTGQ-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3ccccn3)CC2)ccc1OC ZINC000121977027 494902704 /nfs/dbraw/zinc/90/27/04/494902704.db2.gz SCTFICVAZVSTGQ-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000127461737 494948004 /nfs/dbraw/zinc/94/80/04/494948004.db2.gz RYJCWWNKLJIXAE-UHFFFAOYSA-N 1 2 367.396 3.215 20 30 FGEDLO N#Cc1cc(F)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(F)c1 ZINC000127871619 495010670 /nfs/dbraw/zinc/01/06/70/495010670.db2.gz XYRLDMKMNLVBJB-UHFFFAOYSA-N 1 2 368.343 3.364 20 30 FGEDLO CC(C)(C)n1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000122843188 495039556 /nfs/dbraw/zinc/03/95/56/495039556.db2.gz JDPPQDKIPSSLRG-UHFFFAOYSA-N 1 2 351.498 3.218 20 30 FGEDLO CC(C)(C)n1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000122843188 495039560 /nfs/dbraw/zinc/03/95/60/495039560.db2.gz JDPPQDKIPSSLRG-UHFFFAOYSA-N 1 2 351.498 3.218 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000122918129 495052277 /nfs/dbraw/zinc/05/22/77/495052277.db2.gz YEUWREMHIKYSCM-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(Br)c1 ZINC000122947050 495057467 /nfs/dbraw/zinc/05/74/67/495057467.db2.gz QKLBHKONYQUEOJ-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c1C#N ZINC000123009777 495066619 /nfs/dbraw/zinc/06/66/19/495066619.db2.gz PQCLLNARFPFZIJ-SFHVURJKSA-N 1 2 372.513 3.267 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2CO)c1C#N ZINC000123009777 495066622 /nfs/dbraw/zinc/06/66/22/495066622.db2.gz PQCLLNARFPFZIJ-SFHVURJKSA-N 1 2 372.513 3.267 20 30 FGEDLO FC(F)n1ccnc1CN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000119019190 495072087 /nfs/dbraw/zinc/07/20/87/495072087.db2.gz IMUJNEMFEDNVHA-UHFFFAOYSA-N 1 2 364.827 3.101 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000101554545 495076664 /nfs/dbraw/zinc/07/66/64/495076664.db2.gz SUZZAUPUNKJFLL-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000128808662 495152745 /nfs/dbraw/zinc/15/27/45/495152745.db2.gz TVWMVESNTIHMPG-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102928801 495173719 /nfs/dbraw/zinc/17/37/19/495173719.db2.gz CHNQZLCBVWKYCY-CQSZACIVSA-N 1 2 355.419 3.124 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102928801 495173724 /nfs/dbraw/zinc/17/37/24/495173724.db2.gz CHNQZLCBVWKYCY-CQSZACIVSA-N 1 2 355.419 3.124 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1C#N ZINC000135023422 495240134 /nfs/dbraw/zinc/24/01/34/495240134.db2.gz YMXWHCVBMPZLPC-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO CCc1nsc(N2CCC[N@H+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000135113508 495251793 /nfs/dbraw/zinc/25/17/93/495251793.db2.gz GESTYPZOYKNLPJ-UHFFFAOYSA-N 1 2 360.914 3.318 20 30 FGEDLO CCc1nsc(N2CCC[N@@H+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000135113508 495251795 /nfs/dbraw/zinc/25/17/95/495251795.db2.gz GESTYPZOYKNLPJ-UHFFFAOYSA-N 1 2 360.914 3.318 20 30 FGEDLO FC(F)(F)c1ccc(C#CCN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000124476127 495293332 /nfs/dbraw/zinc/29/33/32/495293332.db2.gz ZDFJDLZIWBPXQW-UHFFFAOYSA-N 1 2 359.395 3.270 20 30 FGEDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104715383 495300068 /nfs/dbraw/zinc/30/00/68/495300068.db2.gz MHZGZXCLUZEQHL-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714855 495300229 /nfs/dbraw/zinc/30/02/29/495300229.db2.gz NXCBEPPDDLWQHP-HNNXBMFYSA-N 1 2 374.444 3.399 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135571599 495313312 /nfs/dbraw/zinc/31/33/12/495313312.db2.gz TYCZTWSEUPYEIW-RDJZCZTQSA-N 1 2 364.536 3.110 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135571599 495313314 /nfs/dbraw/zinc/31/33/14/495313314.db2.gz TYCZTWSEUPYEIW-RDJZCZTQSA-N 1 2 364.536 3.110 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000125141532 495397002 /nfs/dbraw/zinc/39/70/02/495397002.db2.gz NUKSSNHAWSJUTC-UHFFFAOYSA-N 1 2 371.824 3.069 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000125141532 495397006 /nfs/dbraw/zinc/39/70/06/495397006.db2.gz NUKSSNHAWSJUTC-UHFFFAOYSA-N 1 2 371.824 3.069 20 30 FGEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136964720 495413411 /nfs/dbraw/zinc/41/34/11/495413411.db2.gz VPKAFZVZYUWQPF-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136964720 495413416 /nfs/dbraw/zinc/41/34/16/495413416.db2.gz VPKAFZVZYUWQPF-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO C=CCC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000130912795 495465763 /nfs/dbraw/zinc/46/57/63/495465763.db2.gz ZHFIJKAAHRIKEC-PMACEKPBSA-N 1 2 357.498 3.200 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000139993911 495487155 /nfs/dbraw/zinc/48/71/55/495487155.db2.gz DPRBNZVDGMHNJR-SFHVURJKSA-N 1 2 371.481 3.183 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000139993911 495487159 /nfs/dbraw/zinc/48/71/59/495487159.db2.gz DPRBNZVDGMHNJR-SFHVURJKSA-N 1 2 371.481 3.183 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125720482 495487476 /nfs/dbraw/zinc/48/74/76/495487476.db2.gz CIIGINHEVMSCFM-UHFFFAOYSA-N 1 2 369.490 3.282 20 30 FGEDLO CC(C)CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599039 495520813 /nfs/dbraw/zinc/52/08/13/495520813.db2.gz YGSJJWFBSHEHES-HXUWFJFHSA-N 1 2 351.450 3.299 20 30 FGEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)nc1 ZINC000158618695 495552614 /nfs/dbraw/zinc/55/26/14/495552614.db2.gz CIWBZBNETSABBI-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000185452459 495582615 /nfs/dbraw/zinc/58/26/15/495582615.db2.gz DLMQMCFIAPDQKL-AWEZNQCLSA-N 1 2 374.535 3.389 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000170885560 495641963 /nfs/dbraw/zinc/64/19/63/495641963.db2.gz VBEMBDMQUVFTDF-UHFFFAOYSA-N 1 2 369.494 3.035 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000568870954 505797679 /nfs/dbraw/zinc/79/76/79/505797679.db2.gz RMACQMUCFGOTRY-UHFFFAOYSA-N 1 2 370.840 3.438 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171109713 495728296 /nfs/dbraw/zinc/72/82/96/495728296.db2.gz JLHCTSSSCOTWBC-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171109713 495728297 /nfs/dbraw/zinc/72/82/97/495728297.db2.gz JLHCTSSSCOTWBC-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1c(F)cccc1F ZINC000155040579 495813470 /nfs/dbraw/zinc/81/34/70/495813470.db2.gz XLNALEODHFDUQF-HNNXBMFYSA-N 1 2 365.330 3.147 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCc2nc([C@@H](C)OCC(C)C)no2)ccc1F ZINC000174115212 495826503 /nfs/dbraw/zinc/82/65/03/495826503.db2.gz FVHKDYASQABOSS-GFCCVEGCSA-N 1 2 350.394 3.088 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000171723289 496008365 /nfs/dbraw/zinc/00/83/65/496008365.db2.gz NPVSZHAVCQMLMG-MRXNPFEDSA-N 1 2 364.449 3.478 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)ccc1F ZINC000160661425 496014883 /nfs/dbraw/zinc/01/48/83/496014883.db2.gz XWNIVZRGOWWBFS-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO N#Cc1cccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1 ZINC000177358473 496030583 /nfs/dbraw/zinc/03/05/83/496030583.db2.gz AMHAZDZXURHIPM-UHFFFAOYSA-N 1 2 358.492 3.341 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1C ZINC000152138593 496058231 /nfs/dbraw/zinc/05/82/31/496058231.db2.gz GBAHMVRNQOFICT-QGZVFWFLSA-N 1 2 367.497 3.349 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1C ZINC000152138593 496058239 /nfs/dbraw/zinc/05/82/39/496058239.db2.gz GBAHMVRNQOFICT-QGZVFWFLSA-N 1 2 367.497 3.349 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171854586 496064936 /nfs/dbraw/zinc/06/49/36/496064936.db2.gz YSUCIJUSUKCSKL-UHFFFAOYSA-N 1 2 350.422 3.207 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000156053578 496144231 /nfs/dbraw/zinc/14/42/31/496144231.db2.gz HCRLZMRZAMRIHH-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186865663 496186966 /nfs/dbraw/zinc/18/69/66/496186966.db2.gz RUCRNDOLTIGRMQ-KRWDZBQOSA-N 1 2 372.513 3.217 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1F ZINC000577971734 505830582 /nfs/dbraw/zinc/83/05/82/505830582.db2.gz XBKMNVVCFYFENJ-FQEVSTJZSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1F ZINC000577971734 505830586 /nfs/dbraw/zinc/83/05/86/505830586.db2.gz XBKMNVVCFYFENJ-FQEVSTJZSA-N 1 2 363.436 3.247 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccco1 ZINC000184178155 496273805 /nfs/dbraw/zinc/27/38/05/496273805.db2.gz ICRSPVKXYMGQOH-SJORKVTESA-N 1 2 361.486 3.314 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CCC#N)CCC(C)C ZINC000162413890 496349645 /nfs/dbraw/zinc/34/96/45/496349645.db2.gz UKKXZDVYVDMDQM-UHFFFAOYSA-N 1 2 359.474 3.020 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175509004 496419324 /nfs/dbraw/zinc/41/93/24/496419324.db2.gz IDAXHCJAGNPPKR-UHFFFAOYSA-N 1 2 373.460 3.339 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000184520061 496420465 /nfs/dbraw/zinc/42/04/65/496420465.db2.gz CPMAZUBFBYTQTL-FZMZJTMJSA-N 1 2 359.451 3.006 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184595521 496456703 /nfs/dbraw/zinc/45/67/03/496456703.db2.gz MMAHZNAJWGLCRC-HXUWFJFHSA-N 1 2 350.397 3.319 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1C ZINC000178442671 496458613 /nfs/dbraw/zinc/45/86/13/496458613.db2.gz HHRWCMMCHJVUHF-CQSZACIVSA-N 1 2 371.412 3.269 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(C)o1 ZINC000184713674 496504505 /nfs/dbraw/zinc/50/45/05/496504505.db2.gz MFCLVOQXGCSDMA-SFHVURJKSA-N 1 2 369.465 3.429 20 30 FGEDLO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000158186423 496646310 /nfs/dbraw/zinc/64/63/10/496646310.db2.gz ZEWBXZREGBERNR-UHFFFAOYSA-N 1 2 366.812 3.365 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)s1 ZINC000176048718 496658866 /nfs/dbraw/zinc/65/88/66/496658866.db2.gz SQEOBFFJBRCSRN-UHFFFAOYSA-N 1 2 372.519 3.025 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)CC1 ZINC000194871498 496743164 /nfs/dbraw/zinc/74/31/64/496743164.db2.gz CRFZJMQXYRDCNJ-UHFFFAOYSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277397355 496759831 /nfs/dbraw/zinc/75/98/31/496759831.db2.gz GVOHELRDCKDESD-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277397355 496759836 /nfs/dbraw/zinc/75/98/36/496759836.db2.gz GVOHELRDCKDESD-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO Cc1cnc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)s1 ZINC000277505148 496796330 /nfs/dbraw/zinc/79/63/30/496796330.db2.gz SCUSZTGGJKOTJD-HNNXBMFYSA-N 1 2 372.519 3.370 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000195056824 496807635 /nfs/dbraw/zinc/80/76/35/496807635.db2.gz RJSXUSLJYGZFHE-HKUYNNGSSA-N 1 2 365.458 3.134 20 30 FGEDLO C[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000264166016 496827121 /nfs/dbraw/zinc/82/71/21/496827121.db2.gz XKCMLQHHFLYHPF-HNNXBMFYSA-N 1 2 369.490 3.340 20 30 FGEDLO Cc1cc(Cl)ncc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268960936 496835904 /nfs/dbraw/zinc/83/59/04/496835904.db2.gz VVIRLCZWZQQPLL-UHFFFAOYSA-N 1 2 369.856 3.265 20 30 FGEDLO CCn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2c1cccc2F ZINC000580928986 505870493 /nfs/dbraw/zinc/87/04/93/505870493.db2.gz RNZXGQHQESTODQ-HNNXBMFYSA-N 1 2 365.412 3.115 20 30 FGEDLO CCn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2c1cccc2F ZINC000580928986 505870496 /nfs/dbraw/zinc/87/04/96/505870496.db2.gz RNZXGQHQESTODQ-HNNXBMFYSA-N 1 2 365.412 3.115 20 30 FGEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000191773122 496883867 /nfs/dbraw/zinc/88/38/67/496883867.db2.gz QNCUTMNGFSXWNG-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000269372132 496931955 /nfs/dbraw/zinc/93/19/55/496931955.db2.gz ISVKQVRPIJRGTH-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264627077 496947384 /nfs/dbraw/zinc/94/73/84/496947384.db2.gz AJQSKCPAYSSCDA-QGZVFWFLSA-N 1 2 352.438 3.237 20 30 FGEDLO CC(C)(C)c1nc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 ZINC000192242234 497044735 /nfs/dbraw/zinc/04/47/35/497044735.db2.gz UFWPJWVGRVJVHS-KRWDZBQOSA-N 1 2 368.506 3.203 20 30 FGEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000275466288 497335154 /nfs/dbraw/zinc/33/51/54/497335154.db2.gz AEKWKOHGJBYIHI-LJQANCHMSA-N 1 2 370.497 3.062 20 30 FGEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000275466288 497335159 /nfs/dbraw/zinc/33/51/59/497335159.db2.gz AEKWKOHGJBYIHI-LJQANCHMSA-N 1 2 370.497 3.062 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000255595817 497371139 /nfs/dbraw/zinc/37/11/39/497371139.db2.gz CZQCRRGCVXWMFY-DAXSKMNVSA-N 1 2 360.461 3.099 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255867892 497375528 /nfs/dbraw/zinc/37/55/28/497375528.db2.gz ANZLXHJDNFIXPI-FNUUXAGOSA-N 1 2 355.526 3.131 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255867892 497375532 /nfs/dbraw/zinc/37/55/32/497375532.db2.gz ANZLXHJDNFIXPI-FNUUXAGOSA-N 1 2 355.526 3.131 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255867891 497375801 /nfs/dbraw/zinc/37/58/01/497375801.db2.gz ANZLXHJDNFIXPI-DBBZSVRUSA-N 1 2 355.526 3.131 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255867891 497375809 /nfs/dbraw/zinc/37/58/09/497375809.db2.gz ANZLXHJDNFIXPI-DBBZSVRUSA-N 1 2 355.526 3.131 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCS(=O)(=O)Cc2ccccc2)C2CC2)cc1 ZINC000279499812 497455630 /nfs/dbraw/zinc/45/56/30/497455630.db2.gz QJNFNIQTIGLMRW-UHFFFAOYSA-N 1 2 354.475 3.138 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCS(=O)(=O)Cc2ccccc2)C2CC2)cc1 ZINC000279499812 497455634 /nfs/dbraw/zinc/45/56/34/497455634.db2.gz QJNFNIQTIGLMRW-UHFFFAOYSA-N 1 2 354.475 3.138 20 30 FGEDLO C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000279538402 497466109 /nfs/dbraw/zinc/46/61/09/497466109.db2.gz SVXOXCYGEPEXSA-KBXCAEBGSA-N 1 2 361.405 3.133 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000267327077 497526825 /nfs/dbraw/zinc/52/68/25/497526825.db2.gz IKLZHNALXWUJCN-LIVBEALHSA-N 1 2 372.428 3.205 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000267327077 497526830 /nfs/dbraw/zinc/52/68/30/497526830.db2.gz IKLZHNALXWUJCN-LIVBEALHSA-N 1 2 372.428 3.205 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)CCC1 ZINC000190678153 497570413 /nfs/dbraw/zinc/57/04/13/497570413.db2.gz LUFKIZWAXDKYRC-UHFFFAOYSA-N 1 2 366.509 3.342 20 30 FGEDLO C=CCC1(C(=O)N2CCN(Cc3c(C)[nH+]c4cc(C)ccn43)CC2)CCC1 ZINC000190678153 497570417 /nfs/dbraw/zinc/57/04/17/497570417.db2.gz LUFKIZWAXDKYRC-UHFFFAOYSA-N 1 2 366.509 3.342 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c2[nH+]ccn21 ZINC000575091925 505918509 /nfs/dbraw/zinc/91/85/09/505918509.db2.gz FCXOLKMDFCUPBG-DOMZBBRYSA-N 1 2 362.355 3.259 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1)[NH+]1CCOCC1 ZINC000267999581 497655845 /nfs/dbraw/zinc/65/58/45/497655845.db2.gz VABIOTLQHMECGF-CYBMUJFWSA-N 1 2 371.387 3.482 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000280161089 497667637 /nfs/dbraw/zinc/66/76/37/497667637.db2.gz BZNRCKQULIOZAR-FUHWJXTLSA-N 1 2 358.461 3.091 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246224321 497667939 /nfs/dbraw/zinc/66/79/39/497667939.db2.gz FNWPLVZCCSKMPD-UYAOXDASSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246224321 497667944 /nfs/dbraw/zinc/66/79/44/497667944.db2.gz FNWPLVZCCSKMPD-UYAOXDASSA-N 1 2 371.843 3.455 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272591285 497673909 /nfs/dbraw/zinc/67/39/09/497673909.db2.gz PNVXIKXOZFDIGF-INIZCTEOSA-N 1 2 370.497 3.121 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000194532576 497697074 /nfs/dbraw/zinc/69/70/74/497697074.db2.gz MKQNEZCDWQAART-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000194532576 497697079 /nfs/dbraw/zinc/69/70/79/497697079.db2.gz MKQNEZCDWQAART-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c[nH+]1 ZINC000191211440 497744651 /nfs/dbraw/zinc/74/46/51/497744651.db2.gz NTHCONHXDWLTNF-VQHVLOKHSA-N 1 2 353.422 3.019 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000288559444 497831351 /nfs/dbraw/zinc/83/13/51/497831351.db2.gz VTZZOZQNLMXWET-VQIMIIECSA-N 1 2 354.454 3.241 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@H](C4CCCCC4)C3)[nH+]c2c1 ZINC000329640324 497853770 /nfs/dbraw/zinc/85/37/70/497853770.db2.gz ZIVUVJWTWBVKKK-SFHVURJKSA-N 1 2 356.470 3.338 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000329849432 497925811 /nfs/dbraw/zinc/92/58/11/497925811.db2.gz RVTVPXVUDZEROU-XLIONFOSSA-N 1 2 368.481 3.168 20 30 FGEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000284878182 497929062 /nfs/dbraw/zinc/92/90/62/497929062.db2.gz KVWDAGRSPFNMNW-HNNXBMFYSA-N 1 2 352.413 3.250 20 30 FGEDLO N#Cc1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1Cl ZINC000581279245 505950197 /nfs/dbraw/zinc/95/01/97/505950197.db2.gz TVWUWDVJQUWBRT-UHFFFAOYSA-N 1 2 350.809 3.024 20 30 FGEDLO O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329953077 497966225 /nfs/dbraw/zinc/96/62/25/497966225.db2.gz NBUMBZBQWFBYIU-CABCVRRESA-N 1 2 356.426 3.003 20 30 FGEDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)NC[C@@H]1Cc2ccccc2O1 ZINC000329959118 497969215 /nfs/dbraw/zinc/96/92/15/497969215.db2.gz NALJPUHCLODHJE-PGRDOPGGSA-N 1 2 364.445 3.078 20 30 FGEDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)NC[C@@H]1Cc2ccccc2O1 ZINC000329959118 497969225 /nfs/dbraw/zinc/96/92/25/497969225.db2.gz NALJPUHCLODHJE-PGRDOPGGSA-N 1 2 364.445 3.078 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960683 497970609 /nfs/dbraw/zinc/97/06/09/497970609.db2.gz OASORVAAWGGDKH-QGZVFWFLSA-N 1 2 373.476 3.119 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCc3ccccc32)cn1 ZINC000329970969 497974548 /nfs/dbraw/zinc/97/45/48/497974548.db2.gz YEDDFYXCWSKWBY-LNLFQRSKSA-N 1 2 356.445 3.019 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCc3ccccc32)cn1 ZINC000329970969 497974550 /nfs/dbraw/zinc/97/45/50/497974550.db2.gz YEDDFYXCWSKWBY-LNLFQRSKSA-N 1 2 356.445 3.019 20 30 FGEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330001008 497984796 /nfs/dbraw/zinc/98/47/96/497984796.db2.gz XLGPARHMOHQNNI-MGPUTAFESA-N 1 2 362.518 3.300 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000330093199 498019255 /nfs/dbraw/zinc/01/92/55/498019255.db2.gz RLJQVNVFMXEAIA-KRWDZBQOSA-N 1 2 373.545 3.403 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000330145621 498039437 /nfs/dbraw/zinc/03/94/37/498039437.db2.gz SJDBCPOINKFQLI-CYBMUJFWSA-N 1 2 360.433 3.377 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)CCC2 ZINC000330173047 498048723 /nfs/dbraw/zinc/04/87/23/498048723.db2.gz YHFMVLCKGGYNNZ-CEXWTWQISA-N 1 2 368.481 3.350 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000364615275 498051536 /nfs/dbraw/zinc/05/15/36/498051536.db2.gz VZTPLTQLCPPQDJ-GFCCVEGCSA-N 1 2 365.368 3.037 20 30 FGEDLO CSC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330189364 498055901 /nfs/dbraw/zinc/05/59/01/498055901.db2.gz LSNYFLSGQYUFSS-CABCVRRESA-N 1 2 364.559 3.484 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2ccccc2n1 ZINC000301376128 498082051 /nfs/dbraw/zinc/08/20/51/498082051.db2.gz XMYLNHGAUIDUKU-UHFFFAOYSA-N 1 2 368.444 3.076 20 30 FGEDLO N#Cc1cc(F)c(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000301389955 498088405 /nfs/dbraw/zinc/08/84/05/498088405.db2.gz ZSMAEEFYMMUEEF-UHFFFAOYSA-N 1 2 373.403 3.160 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(OC)c1 ZINC000364764271 498132837 /nfs/dbraw/zinc/13/28/37/498132837.db2.gz SVGWAHJNKCTBRG-INIZCTEOSA-N 1 2 355.438 3.279 20 30 FGEDLO COCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330443416 498133504 /nfs/dbraw/zinc/13/35/04/498133504.db2.gz FWRZSHWETFHOBQ-CABCVRRESA-N 1 2 357.857 3.153 20 30 FGEDLO COCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330443416 498133510 /nfs/dbraw/zinc/13/35/10/498133510.db2.gz FWRZSHWETFHOBQ-CABCVRRESA-N 1 2 357.857 3.153 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000330526283 498146668 /nfs/dbraw/zinc/14/66/68/498146668.db2.gz KGIJAQSGDFITDM-VIFPVBQESA-N 1 2 358.286 3.134 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)c1 ZINC000572524225 505989754 /nfs/dbraw/zinc/98/97/54/505989754.db2.gz WQQQXCZPXDGEQT-IBGZPJMESA-N 1 2 353.376 3.119 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)c1 ZINC000572524225 505989756 /nfs/dbraw/zinc/98/97/56/505989756.db2.gz WQQQXCZPXDGEQT-IBGZPJMESA-N 1 2 353.376 3.119 20 30 FGEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)C1=O ZINC000281493935 498169700 /nfs/dbraw/zinc/16/97/00/498169700.db2.gz XQFHDESHXHRCDW-AZUAARDMSA-N 1 2 360.461 3.039 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000330743344 498185150 /nfs/dbraw/zinc/18/51/50/498185150.db2.gz UCBSCUXWHXZKEU-LLVKDONJSA-N 1 2 362.396 3.137 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C)cc(C)n2)CC1 ZINC000364947319 498223460 /nfs/dbraw/zinc/22/34/60/498223460.db2.gz AGHUNIKBBGSTOX-LJQANCHMSA-N 1 2 364.449 3.059 20 30 FGEDLO CCc1nnc(C[NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000364965159 498231391 /nfs/dbraw/zinc/23/13/91/498231391.db2.gz SIVPBEAWCAIGKV-GFCCVEGCSA-N 1 2 352.467 3.223 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360108008 498247788 /nfs/dbraw/zinc/24/77/88/498247788.db2.gz PLZHMOUWTVGSEI-GOEBONIOSA-N 1 2 374.510 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360108008 498247792 /nfs/dbraw/zinc/24/77/92/498247792.db2.gz PLZHMOUWTVGSEI-GOEBONIOSA-N 1 2 374.510 3.222 20 30 FGEDLO CC1CCN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)c[nH+]2)CC1 ZINC000286209261 498325703 /nfs/dbraw/zinc/32/57/03/498325703.db2.gz GGFXVLGHQCVKLU-UHFFFAOYSA-N 1 2 366.425 3.292 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282239130 498435699 /nfs/dbraw/zinc/43/56/99/498435699.db2.gz NXUZVEGSDKLOMA-JTTJXQCZSA-N 1 2 369.444 3.278 20 30 FGEDLO Cc1onc(CC(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1C#N ZINC000331896831 498492978 /nfs/dbraw/zinc/49/29/78/498492978.db2.gz UQLMFCOCIDFISN-ZDUSSCGKSA-N 1 2 353.426 3.118 20 30 FGEDLO Cc1c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cnn1C ZINC000362655537 498533270 /nfs/dbraw/zinc/53/32/70/498533270.db2.gz FMXVIXGFWCTRLN-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1c([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cnn1C ZINC000362655537 498533273 /nfs/dbraw/zinc/53/32/73/498533273.db2.gz FMXVIXGFWCTRLN-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)CC1 ZINC000332239970 498615084 /nfs/dbraw/zinc/61/50/84/498615084.db2.gz RHCGGFJHDLMOFE-UHFFFAOYSA-N 1 2 361.515 3.110 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000581816209 506067363 /nfs/dbraw/zinc/06/73/63/506067363.db2.gz YUKJZVFURATSKG-ZWOKBUDYSA-N 1 2 368.481 3.110 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000282765122 498646180 /nfs/dbraw/zinc/64/61/80/498646180.db2.gz OLTDCVAWDKVWCH-NZSAHSFTSA-N 1 2 368.481 3.423 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000282765122 498646182 /nfs/dbraw/zinc/64/61/82/498646182.db2.gz OLTDCVAWDKVWCH-NZSAHSFTSA-N 1 2 368.481 3.423 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000287158895 498652380 /nfs/dbraw/zinc/65/23/80/498652380.db2.gz ZBSQBDOBUCNMQD-SFHVURJKSA-N 1 2 373.250 3.081 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287219363 498676787 /nfs/dbraw/zinc/67/67/87/498676787.db2.gz FJAGESMEKRZHRS-FUHWJXTLSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287219363 498676792 /nfs/dbraw/zinc/67/67/92/498676792.db2.gz FJAGESMEKRZHRS-FUHWJXTLSA-N 1 2 368.437 3.399 20 30 FGEDLO Cc1nc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)sc1SCC#N ZINC000365865329 498678031 /nfs/dbraw/zinc/67/80/31/498678031.db2.gz HWBMEKXCHXYKCZ-CQSZACIVSA-N 1 2 373.507 3.065 20 30 FGEDLO Cc1nc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)sc1SCC#N ZINC000365865329 498678032 /nfs/dbraw/zinc/67/80/32/498678032.db2.gz HWBMEKXCHXYKCZ-CQSZACIVSA-N 1 2 373.507 3.065 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)OCC ZINC000363165390 498680780 /nfs/dbraw/zinc/68/07/80/498680780.db2.gz CQZYSYFKNWPBBV-MJGOQNOKSA-N 1 2 357.454 3.006 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334591 498720802 /nfs/dbraw/zinc/72/08/02/498720802.db2.gz KQPPVGTUUTXTFD-RCCFBDPRSA-N 1 2 368.437 3.053 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334591 498720796 /nfs/dbraw/zinc/72/07/96/498720796.db2.gz KQPPVGTUUTXTFD-RCCFBDPRSA-N 1 2 368.437 3.053 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000366106750 498778814 /nfs/dbraw/zinc/77/88/14/498778814.db2.gz FKDPTQFJIXMINS-AEFFLSMTSA-N 1 2 370.522 3.152 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000366106750 498778822 /nfs/dbraw/zinc/77/88/22/498778822.db2.gz FKDPTQFJIXMINS-AEFFLSMTSA-N 1 2 370.522 3.152 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287614704 498814401 /nfs/dbraw/zinc/81/44/01/498814401.db2.gz ZLRSAHHDRIRVJS-ZWKOTPCHSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287614704 498814396 /nfs/dbraw/zinc/81/43/96/498814396.db2.gz ZLRSAHHDRIRVJS-ZWKOTPCHSA-N 1 2 368.437 3.399 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000298730787 498862779 /nfs/dbraw/zinc/86/27/79/498862779.db2.gz HEZQRVFJRYKUID-MRXNPFEDSA-N 1 2 373.460 3.480 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000298730787 498862785 /nfs/dbraw/zinc/86/27/85/498862785.db2.gz HEZQRVFJRYKUID-MRXNPFEDSA-N 1 2 373.460 3.480 20 30 FGEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328600631 498871278 /nfs/dbraw/zinc/87/12/78/498871278.db2.gz DDCPKQZGKVVWGS-JJDSTIRJSA-N 1 2 372.513 3.344 20 30 FGEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H](c2ccsc2)O1 ZINC000328609960 498874398 /nfs/dbraw/zinc/87/43/98/498874398.db2.gz NGXGCKLHTRCQBP-YCPHGPKFSA-N 1 2 360.483 3.198 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3ccccc3F)C1)CCC2 ZINC000328654064 498889790 /nfs/dbraw/zinc/88/97/90/498889790.db2.gz LOAQGDHIJQHOKE-MAUKXSAKSA-N 1 2 372.444 3.196 20 30 FGEDLO COc1ccc([C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCCn4cc(C)[nH+]c43)C2)cc1 ZINC000328663224 498894394 /nfs/dbraw/zinc/89/43/94/498894394.db2.gz XUHDETPURRPHRK-ZWKOTPCHSA-N 1 2 368.481 3.481 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000328717031 498912323 /nfs/dbraw/zinc/91/23/23/498912323.db2.gz UISZKVXEENRNEK-QFBILLFUSA-N 1 2 369.465 3.053 20 30 FGEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000363635696 498917896 /nfs/dbraw/zinc/91/78/96/498917896.db2.gz ZLMLNRSTLRHBDA-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000283566144 498926284 /nfs/dbraw/zinc/92/62/84/498926284.db2.gz ODQSSXCGUDMKLC-UHFFFAOYSA-N 1 2 371.872 3.111 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328757562 498927811 /nfs/dbraw/zinc/92/78/11/498927811.db2.gz VAVQEOLELLXFKJ-CYBMUJFWSA-N 1 2 361.833 3.033 20 30 FGEDLO C[C@]1(CO)CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328825042 498951412 /nfs/dbraw/zinc/95/14/12/498951412.db2.gz RRNNLVATXYBADF-WIYYLYMNSA-N 1 2 366.465 3.288 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328831135 498953857 /nfs/dbraw/zinc/95/38/57/498953857.db2.gz VFMLPPVLDDLDHR-UHFFFAOYSA-N 1 2 356.426 3.069 20 30 FGEDLO CN(C(=O)C[NH+]1CC(c2nc3ccccc3s2)C1)C1(C#N)CCCCC1 ZINC000328927332 498989383 /nfs/dbraw/zinc/98/93/83/498989383.db2.gz WZRTZNZCQSXYIP-UHFFFAOYSA-N 1 2 368.506 3.380 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366595742 498995276 /nfs/dbraw/zinc/99/52/76/498995276.db2.gz HZIHXUSEVQWNSR-GDBMZVCRSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366595742 498995279 /nfs/dbraw/zinc/99/52/79/498995279.db2.gz HZIHXUSEVQWNSR-GDBMZVCRSA-N 1 2 374.510 3.066 20 30 FGEDLO Cc1noc([C@H]([NH2+]CC(=O)NC2CCCCCC2)C2CCOCC2)n1 ZINC000328980300 499005564 /nfs/dbraw/zinc/00/55/64/499005564.db2.gz RIPMECYIEBZXCU-QGZVFWFLSA-N 1 2 350.463 3.115 20 30 FGEDLO N#CCCn1cc(C[NH2+]Cc2noc3c2CCCC3)c(-c2ccncc2)n1 ZINC000288396161 499013881 /nfs/dbraw/zinc/01/38/81/499013881.db2.gz HNPNNTNSKPQLBY-UHFFFAOYSA-N 1 2 362.437 3.015 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000329056693 499027495 /nfs/dbraw/zinc/02/74/95/499027495.db2.gz STDMQKKYAXDTLP-QANKJYHBSA-N 1 2 352.862 3.095 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000329056693 499027499 /nfs/dbraw/zinc/02/74/99/499027499.db2.gz STDMQKKYAXDTLP-QANKJYHBSA-N 1 2 352.862 3.095 20 30 FGEDLO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000329306648 499095024 /nfs/dbraw/zinc/09/50/24/499095024.db2.gz XZRFYLMKJMJWIA-GJZGRUSLSA-N 1 2 365.499 3.367 20 30 FGEDLO CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329464164 499125094 /nfs/dbraw/zinc/12/50/94/499125094.db2.gz UUZGQNBFAUWCIN-OAHLLOKOSA-N 1 2 369.469 3.122 20 30 FGEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCOCC2(CCC2)C1 ZINC000329494191 499127936 /nfs/dbraw/zinc/12/79/36/499127936.db2.gz FGUNGDFHTJZHCY-UHFFFAOYSA-N 1 2 372.513 3.379 20 30 FGEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068954 499143254 /nfs/dbraw/zinc/14/32/54/499143254.db2.gz ZQTOVFIOZCWEKI-UHFFFAOYSA-N 1 2 353.397 3.065 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079042 499145318 /nfs/dbraw/zinc/14/53/18/499145318.db2.gz RSGCWCNAJNRITQ-PXNSSMCTSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079042 499145321 /nfs/dbraw/zinc/14/53/21/499145321.db2.gz RSGCWCNAJNRITQ-PXNSSMCTSA-N 1 2 372.852 3.025 20 30 FGEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000372825998 499180969 /nfs/dbraw/zinc/18/09/69/499180969.db2.gz YMFHLIKTXHXXIX-MRXNPFEDSA-N 1 2 355.438 3.072 20 30 FGEDLO Cc1cc([C@H]2CCCN2CC#CC[N@@H+]2CCC[C@@H]2c2cc(C)on2)no1 ZINC000367446545 499199680 /nfs/dbraw/zinc/19/96/80/499199680.db2.gz FRKMPGGYNUUNFH-WOJBJXKFSA-N 1 2 354.454 3.257 20 30 FGEDLO Cc1cc([C@H]2CCCN2CC#CC[N@H+]2CCC[C@@H]2c2cc(C)on2)no1 ZINC000367446545 499199681 /nfs/dbraw/zinc/19/96/81/499199681.db2.gz FRKMPGGYNUUNFH-WOJBJXKFSA-N 1 2 354.454 3.257 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n1 ZINC000579290768 506137243 /nfs/dbraw/zinc/13/72/43/506137243.db2.gz KEIAIZDJRSBBAK-GFCCVEGCSA-N 1 2 350.241 3.391 20 30 FGEDLO CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367475905 499203865 /nfs/dbraw/zinc/20/38/65/499203865.db2.gz GDSRMWKYILUJEP-GDBMZVCRSA-N 1 2 351.406 3.030 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370513847 499227646 /nfs/dbraw/zinc/22/76/46/499227646.db2.gz KSQNKVUGJNNNPM-KRWDZBQOSA-N 1 2 365.437 3.011 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370513847 499227647 /nfs/dbraw/zinc/22/76/47/499227647.db2.gz KSQNKVUGJNNNPM-KRWDZBQOSA-N 1 2 365.437 3.011 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000367944189 499248091 /nfs/dbraw/zinc/24/80/91/499248091.db2.gz KPNFKZJRSDSRHO-GOSISDBHSA-N 1 2 368.481 3.149 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368073382 499261566 /nfs/dbraw/zinc/26/15/66/499261566.db2.gz ZJVXQNGWJXVRQQ-VQIMIIECSA-N 1 2 371.506 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368073382 499261568 /nfs/dbraw/zinc/26/15/68/499261568.db2.gz ZJVXQNGWJXVRQQ-VQIMIIECSA-N 1 2 371.506 3.274 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308276 499308264 /nfs/dbraw/zinc/30/82/64/499308264.db2.gz NALLJQNUEGXKDJ-GFCCVEGCSA-N 1 2 365.355 3.281 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308276 499308266 /nfs/dbraw/zinc/30/82/66/499308266.db2.gz NALLJQNUEGXKDJ-GFCCVEGCSA-N 1 2 365.355 3.281 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000368591293 499311081 /nfs/dbraw/zinc/31/10/81/499311081.db2.gz GSLFVJPJDAVUNS-KYNGSXCRSA-N 1 2 366.465 3.130 20 30 FGEDLO COCOc1ccc(OC)cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464616 499330490 /nfs/dbraw/zinc/33/04/90/499330490.db2.gz UYMOMCLEOHDNEF-OAQYLSRUSA-N 1 2 368.433 3.123 20 30 FGEDLO COCOc1ccc(OC)cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464616 499330491 /nfs/dbraw/zinc/33/04/91/499330491.db2.gz UYMOMCLEOHDNEF-OAQYLSRUSA-N 1 2 368.433 3.123 20 30 FGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371620099 499348076 /nfs/dbraw/zinc/34/80/76/499348076.db2.gz GIJDNTVDXGQXJB-RTWAWAEBSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371620099 499348077 /nfs/dbraw/zinc/34/80/77/499348077.db2.gz GIJDNTVDXGQXJB-RTWAWAEBSA-N 1 2 366.440 3.050 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371622254 499348315 /nfs/dbraw/zinc/34/83/15/499348315.db2.gz USODQTQTMKIUSN-HRAATJIYSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371622254 499348316 /nfs/dbraw/zinc/34/83/16/499348316.db2.gz USODQTQTMKIUSN-HRAATJIYSA-N 1 2 368.456 3.250 20 30 FGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369132081 499369010 /nfs/dbraw/zinc/36/90/10/499369010.db2.gz ULDCWFQEAMJQKP-NHCUHLMSSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369132081 499369012 /nfs/dbraw/zinc/36/90/12/499369012.db2.gz ULDCWFQEAMJQKP-NHCUHLMSSA-N 1 2 366.440 3.050 20 30 FGEDLO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000371853160 499371827 /nfs/dbraw/zinc/37/18/27/499371827.db2.gz MMNSKOGMBOZZSD-QZTJIDSGSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1csc2nc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000371853160 499371829 /nfs/dbraw/zinc/37/18/29/499371829.db2.gz MMNSKOGMBOZZSD-QZTJIDSGSA-N 1 2 364.474 3.336 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369541911 499415016 /nfs/dbraw/zinc/41/50/16/499415016.db2.gz QRUXZPCCFWSYMG-DJIMGWMZSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369541911 499415017 /nfs/dbraw/zinc/41/50/17/499415017.db2.gz QRUXZPCCFWSYMG-DJIMGWMZSA-N 1 2 359.495 3.130 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000369545107 499415384 /nfs/dbraw/zinc/41/53/84/499415384.db2.gz CTUWSJZRZZCYHW-NVXWUHKLSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000369545107 499415386 /nfs/dbraw/zinc/41/53/86/499415386.db2.gz CTUWSJZRZZCYHW-NVXWUHKLSA-N 1 2 365.271 3.091 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1F ZINC000375186373 499493388 /nfs/dbraw/zinc/49/33/88/499493388.db2.gz BVMBPNGNCZVIRI-QGZVFWFLSA-N 1 2 352.344 3.089 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)s1 ZINC000378344610 499504035 /nfs/dbraw/zinc/50/40/35/499504035.db2.gz AXSXOVDDBHQMSZ-AWEZNQCLSA-N 1 2 352.423 3.187 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)s1 ZINC000378344610 499504036 /nfs/dbraw/zinc/50/40/36/499504036.db2.gz AXSXOVDDBHQMSZ-AWEZNQCLSA-N 1 2 352.423 3.187 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000375480707 499524220 /nfs/dbraw/zinc/52/42/20/499524220.db2.gz HXFMSQWKSMHJGQ-SFGWALBWSA-N 1 2 362.477 3.185 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375558372 499532250 /nfs/dbraw/zinc/53/22/50/499532250.db2.gz QWMCFVQIRKMWAA-OAQYLSRUSA-N 1 2 364.445 3.144 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000376792924 499634405 /nfs/dbraw/zinc/63/44/05/499634405.db2.gz BVGRFQXTGRRDDK-OAHLLOKOSA-N 1 2 353.426 3.161 20 30 FGEDLO CC[C@@H](C)n1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130785 499762876 /nfs/dbraw/zinc/76/28/76/499762876.db2.gz JVGKURHPGMBVQW-WBVHZDCISA-N 1 2 373.526 3.215 20 30 FGEDLO CC[C@@H](C)n1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130785 499762877 /nfs/dbraw/zinc/76/28/77/499762877.db2.gz JVGKURHPGMBVQW-WBVHZDCISA-N 1 2 373.526 3.215 20 30 FGEDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000411698137 499779540 /nfs/dbraw/zinc/77/95/40/499779540.db2.gz TYGIJACNFXOKPA-UHFFFAOYSA-N 1 2 361.833 3.011 20 30 FGEDLO C=CCNc1ncc(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)s1 ZINC000412328078 499845318 /nfs/dbraw/zinc/84/53/18/499845318.db2.gz GDYKWGZURVXRTE-UHFFFAOYSA-N 1 2 367.478 3.086 20 30 FGEDLO Cn1c2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cc2[nH+]c1C1CC1 ZINC000412331885 499845459 /nfs/dbraw/zinc/84/54/59/499845459.db2.gz OMEXPKZFDXRFMQ-UHFFFAOYSA-N 1 2 365.824 3.301 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932034 499961229 /nfs/dbraw/zinc/96/12/29/499961229.db2.gz PLPPMZJSCKBQRY-HEHGZKQESA-N 1 2 356.388 3.158 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932034 499961232 /nfs/dbraw/zinc/96/12/32/499961232.db2.gz PLPPMZJSCKBQRY-HEHGZKQESA-N 1 2 356.388 3.158 20 30 FGEDLO C[C@@H](C#N)N(CC[N@@H+]1CCO[C@@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425535745 500135903 /nfs/dbraw/zinc/13/59/03/500135903.db2.gz NZXRWZIRZABIDM-GJZGRUSLSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@@H](C#N)N(CC[N@H+]1CCO[C@@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425535745 500135907 /nfs/dbraw/zinc/13/59/07/500135907.db2.gz NZXRWZIRZABIDM-GJZGRUSLSA-N 1 2 355.404 3.140 20 30 FGEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536611 500137125 /nfs/dbraw/zinc/13/71/25/500137125.db2.gz IXCOYOOIMQXMAN-CYBMUJFWSA-N 1 2 371.462 3.428 20 30 FGEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536611 500137129 /nfs/dbraw/zinc/13/71/29/500137129.db2.gz IXCOYOOIMQXMAN-CYBMUJFWSA-N 1 2 371.462 3.428 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425609660 500158900 /nfs/dbraw/zinc/15/89/00/500158900.db2.gz KMAFVHOCCLCNDT-APHBMKBZSA-N 1 2 357.845 3.154 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)c(Cl)c1 ZINC000426133642 500239980 /nfs/dbraw/zinc/23/99/80/500239980.db2.gz MIPCNKJKVBMTTJ-UHFFFAOYSA-N 1 2 365.824 3.415 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000427703683 500422316 /nfs/dbraw/zinc/42/23/16/500422316.db2.gz AQMYWIBIMWNTHT-MRXNPFEDSA-N 1 2 351.406 3.380 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)ccc2OCCC)nn1 ZINC000424169682 500463294 /nfs/dbraw/zinc/46/32/94/500463294.db2.gz ISZYRNWIHTVLOB-UHFFFAOYSA-N 1 2 365.275 3.305 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cccc(Br)c2OC(F)F)nn1 ZINC000424171643 500463413 /nfs/dbraw/zinc/46/34/13/500463413.db2.gz MHGWEYTZRICRPL-UHFFFAOYSA-N 1 2 373.201 3.118 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000424206569 500468800 /nfs/dbraw/zinc/46/88/00/500468800.db2.gz WWHOHKBXJXAVJP-GFCCVEGCSA-N 1 2 362.451 3.354 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217252 500482620 /nfs/dbraw/zinc/48/26/20/500482620.db2.gz RYFGJGUWXSPMBF-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217252 500482622 /nfs/dbraw/zinc/48/26/22/500482622.db2.gz RYFGJGUWXSPMBF-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428217252 500482625 /nfs/dbraw/zinc/48/26/25/500482625.db2.gz RYFGJGUWXSPMBF-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428388305 500504063 /nfs/dbraw/zinc/50/40/63/500504063.db2.gz ICFAHHLSWAJBJL-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428387673 500504115 /nfs/dbraw/zinc/50/41/15/500504115.db2.gz KXEFLZRHZHTTHP-UHFFFAOYSA-N 1 2 351.425 3.400 20 30 FGEDLO C=CCC1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCOCC1 ZINC000424668254 500539121 /nfs/dbraw/zinc/53/91/21/500539121.db2.gz QPLIZCPWMXPJDZ-MRXNPFEDSA-N 1 2 352.425 3.057 20 30 FGEDLO CC[C@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](CC)O1 ZINC000420963977 500542367 /nfs/dbraw/zinc/54/23/67/500542367.db2.gz WHGVYDGCNYODJI-OALUTQOASA-N 1 2 357.498 3.440 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030461 500559637 /nfs/dbraw/zinc/55/96/37/500559637.db2.gz VTXNDSKMESCSAO-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030461 500559640 /nfs/dbraw/zinc/55/96/40/500559640.db2.gz VTXNDSKMESCSAO-HIFRSBDPSA-N 1 2 359.426 3.266 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000428858779 500566854 /nfs/dbraw/zinc/56/68/54/500566854.db2.gz XSXKWNSNUVUPGM-AWEZNQCLSA-N 1 2 356.495 3.475 20 30 FGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000428858779 500566855 /nfs/dbraw/zinc/56/68/55/500566855.db2.gz XSXKWNSNUVUPGM-AWEZNQCLSA-N 1 2 356.495 3.475 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NCCCCNc3cccc[nH+]3)on2)c1 ZINC000447443916 500607391 /nfs/dbraw/zinc/60/73/91/500607391.db2.gz WDGGSCLGKCRWFZ-UHFFFAOYSA-N 1 2 361.405 3.230 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)ccc1C#N ZINC000442883962 500639607 /nfs/dbraw/zinc/63/96/07/500639607.db2.gz ITANBAPFONVTKC-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n1 ZINC000437423897 500642984 /nfs/dbraw/zinc/64/29/84/500642984.db2.gz HKPGNGPDLYHPPC-UHFFFAOYSA-N 1 2 364.421 3.247 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000433294742 500663655 /nfs/dbraw/zinc/66/36/55/500663655.db2.gz AROUPSHLANOBIU-IBGZPJMESA-N 1 2 363.461 3.230 20 30 FGEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000433297816 500664845 /nfs/dbraw/zinc/66/48/45/500664845.db2.gz MLBRWGKFWMPCEW-LBPRGKRZSA-N 1 2 357.376 3.244 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000433297816 500664849 /nfs/dbraw/zinc/66/48/49/500664849.db2.gz MLBRWGKFWMPCEW-LBPRGKRZSA-N 1 2 357.376 3.244 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000570643263 506209655 /nfs/dbraw/zinc/20/96/55/506209655.db2.gz RDDPIMHCLMNUQI-HIFRSBDPSA-N 1 2 356.451 3.301 20 30 FGEDLO O[C@@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438065101 500733762 /nfs/dbraw/zinc/73/37/62/500733762.db2.gz VVYTYOIJISLTJZ-AWEZNQCLSA-N 1 2 367.289 3.326 20 30 FGEDLO O[C@@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438065101 500733763 /nfs/dbraw/zinc/73/37/63/500733763.db2.gz VVYTYOIJISLTJZ-AWEZNQCLSA-N 1 2 367.289 3.326 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611577344 506220640 /nfs/dbraw/zinc/22/06/40/506220640.db2.gz UTCAPFXXTXYLRB-GOSISDBHSA-N 1 2 364.367 3.492 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611577344 506220642 /nfs/dbraw/zinc/22/06/42/506220642.db2.gz UTCAPFXXTXYLRB-GOSISDBHSA-N 1 2 364.367 3.492 20 30 FGEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765601 500894730 /nfs/dbraw/zinc/89/47/30/500894730.db2.gz KWIGUXLBVPBJNT-KRWDZBQOSA-N 1 2 374.916 3.125 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)C(N)=O)cc1 ZINC000439646941 500922082 /nfs/dbraw/zinc/92/20/82/500922082.db2.gz WTNBBBRRSSKZDT-HIFRSBDPSA-N 1 2 362.216 3.115 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000435444248 500979070 /nfs/dbraw/zinc/97/90/70/500979070.db2.gz RJQFXESGZDIAOE-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000435444248 500979073 /nfs/dbraw/zinc/97/90/73/500979073.db2.gz RJQFXESGZDIAOE-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435603225 501000607 /nfs/dbraw/zinc/00/06/07/501000607.db2.gz ZHSFNPMIAHKFHS-QAPCUYQASA-N 1 2 354.410 3.175 20 30 FGEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000596053768 506229232 /nfs/dbraw/zinc/22/92/32/506229232.db2.gz QHXVOFFNUNLNQJ-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)s1 ZINC000611622415 506233160 /nfs/dbraw/zinc/23/31/60/506233160.db2.gz HQAHSJIFHCAOEJ-QGZVFWFLSA-N 1 2 361.492 3.026 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)s1 ZINC000611622415 506233165 /nfs/dbraw/zinc/23/31/65/506233165.db2.gz HQAHSJIFHCAOEJ-QGZVFWFLSA-N 1 2 361.492 3.026 20 30 FGEDLO Clc1cccc(C#CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000436265193 501097880 /nfs/dbraw/zinc/09/78/80/501097880.db2.gz QZHIQQGIIRPNLD-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1cccc(C#CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000436265193 501097882 /nfs/dbraw/zinc/09/78/82/501097882.db2.gz QZHIQQGIIRPNLD-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1cccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000436265193 501097884 /nfs/dbraw/zinc/09/78/84/501097884.db2.gz QZHIQQGIIRPNLD-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1cccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000436265193 501097886 /nfs/dbraw/zinc/09/78/86/501097886.db2.gz QZHIQQGIIRPNLD-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO N#CCCN(CCc1c(Cl)cccc1Cl)CC[NH+]1CCOCC1 ZINC000450461549 501127561 /nfs/dbraw/zinc/12/75/61/501127561.db2.gz BAMCETPFHWADMO-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc3ncccc3cc2C#N)cc1 ZINC000596063904 506236545 /nfs/dbraw/zinc/23/65/45/506236545.db2.gz PAEQRKSRRYQJPT-FQEVSTJZSA-N 1 2 373.460 3.295 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000446830645 501169750 /nfs/dbraw/zinc/16/97/50/501169750.db2.gz VFZLAMGGVYFLPN-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000446830645 501169755 /nfs/dbraw/zinc/16/97/55/501169755.db2.gz VFZLAMGGVYFLPN-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450234446 501215989 /nfs/dbraw/zinc/21/59/89/501215989.db2.gz SUFHNSYULPBUTP-IAGOWNOFSA-N 1 2 360.820 3.163 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450234446 501215991 /nfs/dbraw/zinc/21/59/91/501215991.db2.gz SUFHNSYULPBUTP-IAGOWNOFSA-N 1 2 360.820 3.163 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000457775761 501306111 /nfs/dbraw/zinc/30/61/11/501306111.db2.gz KUSUQKYXRDUXBZ-WDSOQIARSA-N 1 2 357.498 3.297 20 30 FGEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452034738 501421464 /nfs/dbraw/zinc/42/14/64/501421464.db2.gz FJTYGGFABSXAAS-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452034738 501421468 /nfs/dbraw/zinc/42/14/68/501421468.db2.gz FJTYGGFABSXAAS-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000453881949 501421463 /nfs/dbraw/zinc/42/14/63/501421463.db2.gz PZGLIRQHOKFMQK-UHFFFAOYSA-N 1 2 366.465 3.153 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456401701 501518103 /nfs/dbraw/zinc/51/81/03/501518103.db2.gz VZKGDTNIXQIGJL-CXAGYDPISA-N 1 2 362.389 3.363 20 30 FGEDLO Cn1ncc(C#N)c1NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000596108633 506264200 /nfs/dbraw/zinc/26/42/00/506264200.db2.gz WAZOKPWETYFXOG-QGZVFWFLSA-N 1 2 373.888 3.209 20 30 FGEDLO Cn1ncc(C#N)c1NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000596108633 506264209 /nfs/dbraw/zinc/26/42/09/506264209.db2.gz WAZOKPWETYFXOG-QGZVFWFLSA-N 1 2 373.888 3.209 20 30 FGEDLO Cc1nsc(NC(=O)NCCCn2c(C)[nH+]c3ccccc32)c1C#N ZINC000459550662 501675236 /nfs/dbraw/zinc/67/52/36/501675236.db2.gz KORAOMVOGVKFMW-UHFFFAOYSA-N 1 2 354.439 3.193 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccn(C)n2)c1C#N ZINC000459775095 501712292 /nfs/dbraw/zinc/71/22/92/501712292.db2.gz CRUJKSJTUZFDIK-AWEZNQCLSA-N 1 2 368.485 3.115 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccn(C)n1 ZINC000459782952 501713138 /nfs/dbraw/zinc/71/31/38/501713138.db2.gz HQJPYWPCEXIVIX-OLZOCXBDSA-N 1 2 371.510 3.300 20 30 FGEDLO N#Cc1ccc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)c(F)c1 ZINC000463498147 501743170 /nfs/dbraw/zinc/74/31/70/501743170.db2.gz WEVNTWZYLYHVJS-UHFFFAOYSA-N 1 2 374.423 3.368 20 30 FGEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)c(F)c1 ZINC000463498147 501743174 /nfs/dbraw/zinc/74/31/74/501743174.db2.gz WEVNTWZYLYHVJS-UHFFFAOYSA-N 1 2 374.423 3.368 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccccc3Cl)CC1)CCC2 ZINC000481844222 501898434 /nfs/dbraw/zinc/89/84/34/501898434.db2.gz UBABLIMVISOVTA-UHFFFAOYSA-N 1 2 352.869 3.418 20 30 FGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(COc2ccccc2C#N)n1 ZINC000460750616 501911605 /nfs/dbraw/zinc/91/16/05/501911605.db2.gz WXDKZWIUBPTZHR-UHFFFAOYSA-N 1 2 359.389 3.481 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000485715268 501912356 /nfs/dbraw/zinc/91/23/56/501912356.db2.gz HOKPRKMNSROQFU-ORAYPTAESA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000485715268 501912360 /nfs/dbraw/zinc/91/23/60/501912360.db2.gz HOKPRKMNSROQFU-ORAYPTAESA-N 1 2 355.800 3.325 20 30 FGEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CCCCC1 ZINC000471146336 501934859 /nfs/dbraw/zinc/93/48/59/501934859.db2.gz ZBAZDYFAUUVMGH-OAQYLSRUSA-N 1 2 368.525 3.050 20 30 FGEDLO N#CCC[N@@H+](CCCSc1ccccc1Cl)CCN1CCOCC1 ZINC000471226902 501961255 /nfs/dbraw/zinc/96/12/55/501961255.db2.gz LWLWOJSSQLOEGO-UHFFFAOYSA-N 1 2 367.946 3.370 20 30 FGEDLO N#CCC[N@H+](CCCSc1ccccc1Cl)CCN1CCOCC1 ZINC000471226902 501961259 /nfs/dbraw/zinc/96/12/59/501961259.db2.gz LWLWOJSSQLOEGO-UHFFFAOYSA-N 1 2 367.946 3.370 20 30 FGEDLO N#CCCN(CCCSc1ccccc1Cl)CC[NH+]1CCOCC1 ZINC000471226902 501961262 /nfs/dbraw/zinc/96/12/62/501961262.db2.gz LWLWOJSSQLOEGO-UHFFFAOYSA-N 1 2 367.946 3.370 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000468270303 502012617 /nfs/dbraw/zinc/01/26/17/502012617.db2.gz MKWLBLHRQXKXOF-UHFFFAOYSA-N 1 2 369.415 3.383 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3C)cc2)c1C ZINC000461223916 502044714 /nfs/dbraw/zinc/04/47/14/502044714.db2.gz DLZQNPYSAKDDCD-UHFFFAOYSA-N 1 2 366.446 3.470 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468400933 502047499 /nfs/dbraw/zinc/04/74/99/502047499.db2.gz HBLWFVXBIBOMMD-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468400933 502047504 /nfs/dbraw/zinc/04/75/04/502047504.db2.gz HBLWFVXBIBOMMD-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464729014 502076461 /nfs/dbraw/zinc/07/64/61/502076461.db2.gz YXFXHRJQHJYWKY-QGZVFWFLSA-N 1 2 373.460 3.262 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000464820362 502105146 /nfs/dbraw/zinc/10/51/46/502105146.db2.gz FFVVLGXNQKPKBI-FPOVZHCZSA-N 1 2 358.445 3.168 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000464820362 502105152 /nfs/dbraw/zinc/10/51/52/502105152.db2.gz FFVVLGXNQKPKBI-FPOVZHCZSA-N 1 2 358.445 3.168 20 30 FGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000464821804 502107063 /nfs/dbraw/zinc/10/70/63/502107063.db2.gz JCAMBHAMJYSJQJ-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000464821804 502107067 /nfs/dbraw/zinc/10/70/67/502107067.db2.gz JCAMBHAMJYSJQJ-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO Cn1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000464867201 502129833 /nfs/dbraw/zinc/12/98/33/502129833.db2.gz HLOYQTZWQKDTGG-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000486428919 502150812 /nfs/dbraw/zinc/15/08/12/502150812.db2.gz BGSJOBBUMDCYKP-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000486433157 502152647 /nfs/dbraw/zinc/15/26/47/502152647.db2.gz JBOVMSSRRDFKQR-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461728678 502182488 /nfs/dbraw/zinc/18/24/88/502182488.db2.gz ISLBJERDXBBYKX-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940120 502245101 /nfs/dbraw/zinc/24/51/01/502245101.db2.gz JAFCNUPLPFUWHR-VZEFYGNVSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940120 502245106 /nfs/dbraw/zinc/24/51/06/502245106.db2.gz JAFCNUPLPFUWHR-VZEFYGNVSA-N 1 2 364.852 3.216 20 30 FGEDLO N#Cc1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1F ZINC000483102226 502271787 /nfs/dbraw/zinc/27/17/87/502271787.db2.gz QHGKXOBLXHIABK-CQSZACIVSA-N 1 2 354.303 3.419 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(O)c(=O)c1 ZINC000596207313 506310977 /nfs/dbraw/zinc/31/09/77/506310977.db2.gz RCHHVOBBZABFAE-UHFFFAOYSA-N 1 2 369.490 3.131 20 30 FGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082304 506315284 /nfs/dbraw/zinc/31/52/84/506315284.db2.gz BDCHKLORANXACA-HOCLYGCPSA-N 1 2 351.372 3.042 20 30 FGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082304 506315296 /nfs/dbraw/zinc/31/52/96/506315296.db2.gz BDCHKLORANXACA-HOCLYGCPSA-N 1 2 351.372 3.042 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c2ccccc21 ZINC000469740390 502526424 /nfs/dbraw/zinc/52/64/24/502526424.db2.gz XMVVJTPFGWFCGC-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c2ccccc21 ZINC000469740390 502526430 /nfs/dbraw/zinc/52/64/30/502526430.db2.gz XMVVJTPFGWFCGC-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N3CCc4c(CC#N)cccc4C3)cn21 ZINC000599092214 506320096 /nfs/dbraw/zinc/32/00/96/506320096.db2.gz VPCJJOLERJKZFP-UHFFFAOYSA-N 1 2 373.460 3.019 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000487909273 502563423 /nfs/dbraw/zinc/56/34/23/502563423.db2.gz BUPCTFSADVXGTP-QFIPXVFZSA-N 1 2 372.472 3.322 20 30 FGEDLO Cc1nc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000487918088 502567554 /nfs/dbraw/zinc/56/75/54/502567554.db2.gz NRNWBPREAWHLLB-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO CC(C)[C@@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)N1CC[NH+](C)CC1 ZINC000462920317 502626647 /nfs/dbraw/zinc/62/66/47/502626647.db2.gz XPVHVSBPIMFWCR-GOSISDBHSA-N 1 2 373.451 3.069 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)on1 ZINC000488208385 502658941 /nfs/dbraw/zinc/65/89/41/502658941.db2.gz FVSSMMLZNOOXGJ-UHFFFAOYSA-N 1 2 369.375 3.003 20 30 FGEDLO N#Cc1cccc(CCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000466823220 502695891 /nfs/dbraw/zinc/69/58/91/502695891.db2.gz FEXPSDLVIVVPFX-UHFFFAOYSA-N 1 2 365.481 3.199 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000484686991 502708773 /nfs/dbraw/zinc/70/87/73/502708773.db2.gz FHHRKEVSVAIFSD-UHFFFAOYSA-N 1 2 358.486 3.165 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000484686991 502708775 /nfs/dbraw/zinc/70/87/75/502708775.db2.gz FHHRKEVSVAIFSD-UHFFFAOYSA-N 1 2 358.486 3.165 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000484690569 502709951 /nfs/dbraw/zinc/70/99/51/502709951.db2.gz PORQHTRMYOMDNC-OAHLLOKOSA-N 1 2 351.516 3.332 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000484690569 502709956 /nfs/dbraw/zinc/70/99/56/502709956.db2.gz PORQHTRMYOMDNC-OAHLLOKOSA-N 1 2 351.516 3.332 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000484691978 502710193 /nfs/dbraw/zinc/71/01/93/502710193.db2.gz VSLGFZYVZZFHDA-UHFFFAOYSA-N 1 2 366.465 3.039 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000484691978 502710197 /nfs/dbraw/zinc/71/01/97/502710197.db2.gz VSLGFZYVZZFHDA-UHFFFAOYSA-N 1 2 366.465 3.039 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000463168178 502710973 /nfs/dbraw/zinc/71/09/73/502710973.db2.gz GMIMSPNWOWCDFD-LBPRGKRZSA-N 1 2 360.870 3.187 20 30 FGEDLO COc1ccccc1-c1nc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cs1 ZINC000602858358 506329660 /nfs/dbraw/zinc/32/96/60/506329660.db2.gz RKMSTBANHYBFEE-HUUCEWRRSA-N 1 2 356.495 3.237 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857265 506329786 /nfs/dbraw/zinc/32/97/86/506329786.db2.gz QCCKMABNOVOBSQ-YESZJQIVSA-N 1 2 350.466 3.085 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481259471 502800031 /nfs/dbraw/zinc/80/00/31/502800031.db2.gz QYORLRHYOZPBJO-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000481267690 502801992 /nfs/dbraw/zinc/80/19/92/502801992.db2.gz HIYGWEWCIJIISQ-ICSRJNTNSA-N 1 2 357.498 3.295 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000481267690 502801997 /nfs/dbraw/zinc/80/19/97/502801997.db2.gz HIYGWEWCIJIISQ-ICSRJNTNSA-N 1 2 357.498 3.295 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccc(OC)cc1 ZINC000485056967 502811268 /nfs/dbraw/zinc/81/12/68/502811268.db2.gz CMTLARCQXVLSIE-UHFFFAOYSA-N 1 2 374.510 3.372 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccc(OC)cc1 ZINC000485056967 502811270 /nfs/dbraw/zinc/81/12/70/502811270.db2.gz CMTLARCQXVLSIE-UHFFFAOYSA-N 1 2 374.510 3.372 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000513113264 502855058 /nfs/dbraw/zinc/85/50/58/502855058.db2.gz LXUGMQNPRPPKFO-UXBLZVDNSA-N 1 2 354.498 3.357 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000593018512 506339449 /nfs/dbraw/zinc/33/94/49/506339449.db2.gz GSPSOJZIBIGPOY-UHFFFAOYSA-N 1 2 365.389 3.267 20 30 FGEDLO CCOC(=O)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000496221879 502879477 /nfs/dbraw/zinc/87/94/77/502879477.db2.gz KLIKWGRFWHMRDW-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO CCOC(=O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000496221879 502879479 /nfs/dbraw/zinc/87/94/79/502879479.db2.gz KLIKWGRFWHMRDW-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO CC(C)Cc1cccc([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000509498707 502919234 /nfs/dbraw/zinc/91/92/34/502919234.db2.gz HORPUTYQJBCANQ-IBGZPJMESA-N 1 2 371.525 3.063 20 30 FGEDLO CC(C)Cc1cccc([C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000509498708 502919249 /nfs/dbraw/zinc/91/92/49/502919249.db2.gz HORPUTYQJBCANQ-LJQANCHMSA-N 1 2 371.525 3.063 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000602895522 506341679 /nfs/dbraw/zinc/34/16/79/506341679.db2.gz PTJJMHGCNVSZOH-UHFFFAOYSA-N 1 2 358.449 3.215 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000602900516 506342934 /nfs/dbraw/zinc/34/29/34/506342934.db2.gz YWULWTMDFYKNCP-UHFFFAOYSA-N 1 2 370.403 3.351 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902864 506344958 /nfs/dbraw/zinc/34/49/58/506344958.db2.gz FTPJVNWEIHMZLF-IBGZPJMESA-N 1 2 353.397 3.186 20 30 FGEDLO CCCOc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000514572614 503138170 /nfs/dbraw/zinc/13/81/70/503138170.db2.gz IAZRMWVRQZYPEA-UHFFFAOYSA-N 1 2 363.461 3.305 20 30 FGEDLO N#CCCn1ncc(C(=O)Nc2ccn3cc[nH+]c3c2)c1-c1ccccc1 ZINC000506852802 503184735 /nfs/dbraw/zinc/18/47/35/503184735.db2.gz ZIEGVFXKMMWKMX-UHFFFAOYSA-N 1 2 356.389 3.364 20 30 FGEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(Br)c1OC ZINC000510887824 503211382 /nfs/dbraw/zinc/21/13/82/503211382.db2.gz MYJGIFCOMKQFOU-UHFFFAOYSA-N 1 2 357.223 3.294 20 30 FGEDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1-c1cccc(C#N)c1 ZINC000502640140 503243002 /nfs/dbraw/zinc/24/30/02/503243002.db2.gz ZOOKKASHIJFZRR-UHFFFAOYSA-N 1 2 368.400 3.490 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000502655676 503246278 /nfs/dbraw/zinc/24/62/78/503246278.db2.gz RHNGDFKUBMJEHF-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000507245147 503259658 /nfs/dbraw/zinc/25/96/58/503259658.db2.gz ZWWKHVGUBMNZOC-LJQANCHMSA-N 1 2 369.852 3.396 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000507245147 503259660 /nfs/dbraw/zinc/25/96/60/503259660.db2.gz ZWWKHVGUBMNZOC-LJQANCHMSA-N 1 2 369.852 3.396 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000515068923 503264386 /nfs/dbraw/zinc/26/43/86/503264386.db2.gz DSGGLCPHPFMKEQ-DGCLKSJQSA-N 1 2 373.438 3.327 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507290360 503270649 /nfs/dbraw/zinc/27/06/49/503270649.db2.gz DMAAWIFISJEXFV-UHFFFAOYSA-N 1 2 368.868 3.281 20 30 FGEDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319735 503276789 /nfs/dbraw/zinc/27/67/89/503276789.db2.gz PNXNQFAORXZKTC-ROUUACIJSA-N 1 2 374.488 3.047 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(C#N)c1C ZINC000593055205 506362447 /nfs/dbraw/zinc/36/24/47/506362447.db2.gz RFLNHGCNBXCLDX-JTQLQIEISA-N 1 2 373.350 3.462 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000491369390 503300331 /nfs/dbraw/zinc/30/03/31/503300331.db2.gz UERIVFXNYBJWGM-UHFFFAOYSA-N 1 2 364.453 3.160 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000491369390 503300336 /nfs/dbraw/zinc/30/03/36/503300336.db2.gz UERIVFXNYBJWGM-UHFFFAOYSA-N 1 2 364.453 3.160 20 30 FGEDLO CC[N@H+](CC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000499229710 503360676 /nfs/dbraw/zinc/36/06/76/503360676.db2.gz QGGOZWQARXFYRO-UHFFFAOYSA-N 1 2 371.868 3.229 20 30 FGEDLO CC[N@@H+](CC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000499229710 503360680 /nfs/dbraw/zinc/36/06/80/503360680.db2.gz QGGOZWQARXFYRO-UHFFFAOYSA-N 1 2 371.868 3.229 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(OC(F)F)c1 ZINC000511650347 503361622 /nfs/dbraw/zinc/36/16/22/503361622.db2.gz SWGHTSRYUTULOL-CHWSQXEVSA-N 1 2 364.314 3.152 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(OC(F)F)c1 ZINC000511650347 503361625 /nfs/dbraw/zinc/36/16/25/503361625.db2.gz SWGHTSRYUTULOL-CHWSQXEVSA-N 1 2 364.314 3.152 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796455 503368314 /nfs/dbraw/zinc/36/83/14/503368314.db2.gz NENAQYQGIHCVAY-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796455 503368317 /nfs/dbraw/zinc/36/83/17/503368317.db2.gz NENAQYQGIHCVAY-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796457 503368720 /nfs/dbraw/zinc/36/87/20/503368720.db2.gz NENAQYQGIHCVAY-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796457 503368724 /nfs/dbraw/zinc/36/87/24/503368724.db2.gz NENAQYQGIHCVAY-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000515760393 503397349 /nfs/dbraw/zinc/39/73/49/503397349.db2.gz SIOQDGBNNJYTGU-DAXSKMNVSA-N 1 2 366.509 3.357 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)Cc2ccc(C)cc2)c1C#N ZINC000611941671 506369258 /nfs/dbraw/zinc/36/92/58/506369258.db2.gz UKEGXRROMDVVPY-UHFFFAOYSA-N 1 2 360.461 3.355 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Br)cc1 ZINC000499440529 503404876 /nfs/dbraw/zinc/40/48/76/503404876.db2.gz FGKMPECOCFEFSU-CQSZACIVSA-N 1 2 355.195 3.091 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)Cc2ccc(C)cc2)c1C#N ZINC000611941671 506369262 /nfs/dbraw/zinc/36/92/62/506369262.db2.gz UKEGXRROMDVVPY-UHFFFAOYSA-N 1 2 360.461 3.355 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1OC ZINC000515987732 503428980 /nfs/dbraw/zinc/42/89/80/503428980.db2.gz FNBCPRSDVGNBCH-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981037 506371919 /nfs/dbraw/zinc/37/19/19/506371919.db2.gz YWEADKWELRYPJV-LAUBAEHRSA-N 1 2 362.477 3.408 20 30 FGEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981037 506371924 /nfs/dbraw/zinc/37/19/24/506371924.db2.gz YWEADKWELRYPJV-LAUBAEHRSA-N 1 2 362.477 3.408 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508291056 503469405 /nfs/dbraw/zinc/46/94/05/503469405.db2.gz ZDNUIKVZYJDCPV-QZTJIDSGSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508291056 503469407 /nfs/dbraw/zinc/46/94/07/503469407.db2.gz ZDNUIKVZYJDCPV-QZTJIDSGSA-N 1 2 360.498 3.099 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccc(CO)o1 ZINC000512182566 503479617 /nfs/dbraw/zinc/47/96/17/503479617.db2.gz DPOGHDVOJVGERT-UHFFFAOYSA-N 1 2 374.456 3.338 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccc(CO)o1 ZINC000512182566 503479619 /nfs/dbraw/zinc/47/96/19/503479619.db2.gz DPOGHDVOJVGERT-UHFFFAOYSA-N 1 2 374.456 3.338 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512216950 503489013 /nfs/dbraw/zinc/48/90/13/503489013.db2.gz CLTWLANFRJUIKR-KRWDZBQOSA-N 1 2 368.477 3.123 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512216950 503489017 /nfs/dbraw/zinc/48/90/17/503489017.db2.gz CLTWLANFRJUIKR-KRWDZBQOSA-N 1 2 368.477 3.123 20 30 FGEDLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494286941 503520033 /nfs/dbraw/zinc/52/00/33/503520033.db2.gz FCNBJWZSKCJJTH-GHRIWEEISA-N 1 2 354.475 3.367 20 30 FGEDLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494286941 503520034 /nfs/dbraw/zinc/52/00/34/503520034.db2.gz FCNBJWZSKCJJTH-GHRIWEEISA-N 1 2 354.475 3.367 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C2CCCCC2)C1=O ZINC000500003324 503531912 /nfs/dbraw/zinc/53/19/12/503531912.db2.gz VJPPNFVTVGSNOV-FQEVSTJZSA-N 1 2 369.509 3.071 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C2CCCCC2)C1=O ZINC000500003324 503531914 /nfs/dbraw/zinc/53/19/14/503531914.db2.gz VJPPNFVTVGSNOV-FQEVSTJZSA-N 1 2 369.509 3.071 20 30 FGEDLO N#Cc1ccsc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000512388951 503534706 /nfs/dbraw/zinc/53/47/06/503534706.db2.gz BQFXIHBOZQENNN-UHFFFAOYSA-N 1 2 365.418 3.097 20 30 FGEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508740602 503555285 /nfs/dbraw/zinc/55/52/85/503555285.db2.gz QTLNAAACLYVOOM-HNNXBMFYSA-N 1 2 360.531 3.002 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000494703459 503597269 /nfs/dbraw/zinc/59/72/69/503597269.db2.gz OWWIVQRJUSWOEV-QGZVFWFLSA-N 1 2 354.450 3.245 20 30 FGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000494703459 503597275 /nfs/dbraw/zinc/59/72/75/503597275.db2.gz OWWIVQRJUSWOEV-QGZVFWFLSA-N 1 2 354.450 3.245 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1C#N ZINC000527066176 503664615 /nfs/dbraw/zinc/66/46/15/503664615.db2.gz XNYUTRYIPAUTOF-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000533057805 503716327 /nfs/dbraw/zinc/71/63/27/503716327.db2.gz QPXAMNCDRCQLHP-UHFFFAOYSA-N 1 2 360.454 3.190 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)c(F)c1 ZINC000540426046 503767695 /nfs/dbraw/zinc/76/76/95/503767695.db2.gz SIKILCBREOUHHF-KRWDZBQOSA-N 1 2 370.359 3.364 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000527512275 503819466 /nfs/dbraw/zinc/81/94/66/503819466.db2.gz SWNFDFFJARWJHH-IBGZPJMESA-N 1 2 353.491 3.480 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533508035 503869031 /nfs/dbraw/zinc/86/90/31/503869031.db2.gz GZURQQWAFVWGIU-OAHLLOKOSA-N 1 2 369.387 3.244 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533508035 503869035 /nfs/dbraw/zinc/86/90/35/503869035.db2.gz GZURQQWAFVWGIU-OAHLLOKOSA-N 1 2 369.387 3.244 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000518068295 503902029 /nfs/dbraw/zinc/90/20/29/503902029.db2.gz KUPYNVWBXAEMQF-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000518068290 503902737 /nfs/dbraw/zinc/90/27/37/503902737.db2.gz KUPYNVWBXAEMQF-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000530427467 503960938 /nfs/dbraw/zinc/96/09/38/503960938.db2.gz NJIYZWIXBDAFPI-KRWDZBQOSA-N 1 2 366.856 3.366 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CC#N)CC2)C[C@@H](C)O1 ZINC000541043179 503984239 /nfs/dbraw/zinc/98/42/39/503984239.db2.gz XUGVGNPQCYCOHB-IAGOWNOFSA-N 1 2 370.497 3.453 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163239 504028006 /nfs/dbraw/zinc/02/80/06/504028006.db2.gz NOQONTDFOBMSEO-QFBILLFUSA-N 1 2 370.415 3.338 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163239 504028011 /nfs/dbraw/zinc/02/80/11/504028011.db2.gz NOQONTDFOBMSEO-QFBILLFUSA-N 1 2 370.415 3.338 20 30 FGEDLO C[C@]([NH2+]Cc1cccc(C#N)c1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000538150171 504146911 /nfs/dbraw/zinc/14/69/11/504146911.db2.gz MOGVBKLVFFXBCW-QGZVFWFLSA-N 1 2 365.330 3.206 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000544518985 504160584 /nfs/dbraw/zinc/16/05/84/504160584.db2.gz QWDUNAKSBOFTGG-CKFHNAJUSA-N 1 2 361.490 3.211 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541687887 504221242 /nfs/dbraw/zinc/22/12/42/504221242.db2.gz ZMDINCAOGSNNEH-CQSZACIVSA-N 1 2 358.417 3.035 20 30 FGEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000531269411 504248083 /nfs/dbraw/zinc/24/80/83/504248083.db2.gz GHPQWFJTAKAQDQ-UHFFFAOYSA-N 1 2 374.293 3.122 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)n1 ZINC000544879168 504288385 /nfs/dbraw/zinc/28/83/85/504288385.db2.gz FTRJXGAXJDPVPV-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CCOc1ccc(/C=C\c2nc(Cc3c[nH+]cn3C)no2)cc1OC ZINC000545135906 504370231 /nfs/dbraw/zinc/37/02/31/504370231.db2.gz YZLBNACELUQLIG-VURMDHGXSA-N 1 2 352.394 3.138 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788148 504372351 /nfs/dbraw/zinc/37/23/51/504372351.db2.gz MFVSVUAEOGHMHS-LSDHHAIUSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788148 504372352 /nfs/dbraw/zinc/37/23/52/504372352.db2.gz MFVSVUAEOGHMHS-LSDHHAIUSA-N 1 2 372.465 3.479 20 30 FGEDLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000535377962 504418667 /nfs/dbraw/zinc/41/86/67/504418667.db2.gz JTWRFMZJMBBTAW-UHFFFAOYSA-N 1 2 363.465 3.361 20 30 FGEDLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000535377962 504418670 /nfs/dbraw/zinc/41/86/70/504418670.db2.gz JTWRFMZJMBBTAW-UHFFFAOYSA-N 1 2 363.465 3.361 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000531802472 504429249 /nfs/dbraw/zinc/42/92/49/504429249.db2.gz ZUTMINKSXBOZFO-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000531802472 504429252 /nfs/dbraw/zinc/42/92/52/504429252.db2.gz ZUTMINKSXBOZFO-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO C=CCOc1cccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000545382372 504467556 /nfs/dbraw/zinc/46/75/56/504467556.db2.gz UUZZOIRNAMGBRQ-UHFFFAOYSA-N 1 2 369.446 3.297 20 30 FGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000532098001 504533453 /nfs/dbraw/zinc/53/34/53/504533453.db2.gz UFKLXBHJDDGGKZ-OAQYLSRUSA-N 1 2 360.417 3.356 20 30 FGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000532098001 504533458 /nfs/dbraw/zinc/53/34/58/504533458.db2.gz UFKLXBHJDDGGKZ-OAQYLSRUSA-N 1 2 360.417 3.356 20 30 FGEDLO C=CCCOCCCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539365959 504541960 /nfs/dbraw/zinc/54/19/60/504541960.db2.gz DIVUQCGPWHGIAJ-UHFFFAOYSA-N 1 2 374.529 3.320 20 30 FGEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000548848695 504590307 /nfs/dbraw/zinc/59/03/07/504590307.db2.gz SCUBTANAKRYHET-OAHLLOKOSA-N 1 2 372.542 3.461 20 30 FGEDLO C=CCCOCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000536035993 504614780 /nfs/dbraw/zinc/61/47/80/504614780.db2.gz RECHRQDFXSAAQN-QGZVFWFLSA-N 1 2 356.470 3.111 20 30 FGEDLO C=CCn1c(CC)nnc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000548943238 504631776 /nfs/dbraw/zinc/63/17/76/504631776.db2.gz VFXQVOCAUZSEEJ-UHFFFAOYSA-N 1 2 363.868 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000521205353 504680210 /nfs/dbraw/zinc/68/02/10/504680210.db2.gz ZIODYWNJFCAKQD-HOTGVXAUSA-N 1 2 358.511 3.220 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000521205353 504680213 /nfs/dbraw/zinc/68/02/13/504680213.db2.gz ZIODYWNJFCAKQD-HOTGVXAUSA-N 1 2 358.511 3.220 20 30 FGEDLO CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000532706870 504741599 /nfs/dbraw/zinc/74/15/99/504741599.db2.gz BQXPIXPWTZTYIV-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000532706870 504741604 /nfs/dbraw/zinc/74/16/04/504741604.db2.gz BQXPIXPWTZTYIV-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCc4c(cccc4C(F)(F)F)C3)cnc12 ZINC000529663620 504754839 /nfs/dbraw/zinc/75/48/39/504754839.db2.gz YFBSUDPSQDVJBH-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4c(cccc4C(F)(F)F)C3)cnc12 ZINC000529663620 504754843 /nfs/dbraw/zinc/75/48/43/504754843.db2.gz YFBSUDPSQDVJBH-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000565052048 504782060 /nfs/dbraw/zinc/78/20/60/504782060.db2.gz ULXQFPFMSJBZMZ-NRFANRHFSA-N 1 2 367.497 3.044 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000559259213 504811525 /nfs/dbraw/zinc/81/15/25/504811525.db2.gz OUDHSKXOAURMMZ-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO N#Cc1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cnc1C(F)(F)F ZINC000556272932 504833518 /nfs/dbraw/zinc/83/35/18/504833518.db2.gz IQAJVWSGNDLGRM-UHFFFAOYSA-N 1 2 370.294 3.261 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000556366343 504855711 /nfs/dbraw/zinc/85/57/11/504855711.db2.gz GUZRKZFPNIXHBU-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO N#CCCOCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000549711182 504878580 /nfs/dbraw/zinc/87/85/80/504878580.db2.gz LWWOEZPBBSJESX-UHFFFAOYSA-N 1 2 361.795 3.411 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000556511120 504893258 /nfs/dbraw/zinc/89/32/58/504893258.db2.gz RUNJKIKEJOSATM-UHFFFAOYSA-N 1 2 361.361 3.295 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1c[nH+]ccc1OC ZINC000560219943 505020677 /nfs/dbraw/zinc/02/06/77/505020677.db2.gz FUTIRYSBBVYWGL-UHFFFAOYSA-N 1 2 367.449 3.197 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(C4CC4)s3)CC2)c(F)c1 ZINC000560249406 505029675 /nfs/dbraw/zinc/02/96/75/505029675.db2.gz BPRDRMSQXYMVKC-UHFFFAOYSA-N 1 2 358.442 3.470 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1C#N ZINC000553942506 505048554 /nfs/dbraw/zinc/04/85/54/505048554.db2.gz DRUDXCQRZKZZCM-SFHVURJKSA-N 1 2 358.825 3.212 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1nnc2ccccn21 ZINC000554264783 505129479 /nfs/dbraw/zinc/12/94/79/505129479.db2.gz NUNFDQZFWBKZCN-LLVKDONJSA-N 1 2 356.227 3.214 20 30 FGEDLO Cc1cc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCOCC2)cc(C#N)n1 ZINC000561188972 505275752 /nfs/dbraw/zinc/27/57/52/505275752.db2.gz SOJJVQSLDSCBCL-IBGZPJMESA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ncc(C#N)cc1C ZINC000551755394 505299551 /nfs/dbraw/zinc/29/95/51/505299551.db2.gz KHRAEYKXJAUEKL-QGZVFWFLSA-N 1 2 359.433 3.225 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000555550445 505454894 /nfs/dbraw/zinc/45/48/94/505454894.db2.gz TVJXGGQHBBQWAN-UYAOXDASSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000555550445 505454896 /nfs/dbraw/zinc/45/48/96/505454896.db2.gz TVJXGGQHBBQWAN-UYAOXDASSA-N 1 2 360.498 3.099 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(-c4[nH]cc[nH+]4)c3)CC2)c1 ZINC000552394862 505481372 /nfs/dbraw/zinc/48/13/72/505481372.db2.gz LERCFFXDHQDCDX-UHFFFAOYSA-N 1 2 360.392 3.435 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000555877543 505530835 /nfs/dbraw/zinc/53/08/35/505530835.db2.gz WKGVYNKZVOUZLH-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000555877543 505530837 /nfs/dbraw/zinc/53/08/37/505530837.db2.gz WKGVYNKZVOUZLH-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000558935343 505533568 /nfs/dbraw/zinc/53/35/68/505533568.db2.gz GUMRXDJPHJDBQN-UHFFFAOYSA-N 1 2 368.868 3.263 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000558935343 505533571 /nfs/dbraw/zinc/53/35/71/505533571.db2.gz GUMRXDJPHJDBQN-UHFFFAOYSA-N 1 2 368.868 3.263 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277592 506395331 /nfs/dbraw/zinc/39/53/31/506395331.db2.gz OKXOMDLDYZCGEE-XHDPSFHLSA-N 1 2 350.260 3.184 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599277592 506395341 /nfs/dbraw/zinc/39/53/41/506395341.db2.gz OKXOMDLDYZCGEE-XHDPSFHLSA-N 1 2 350.260 3.184 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000596428953 506401803 /nfs/dbraw/zinc/40/18/03/506401803.db2.gz VWNLJGADTUTIMF-GOSISDBHSA-N 1 2 365.481 3.477 20 30 FGEDLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155542 506429083 /nfs/dbraw/zinc/42/90/83/506429083.db2.gz ZXXWHJZTPJLATM-ZUZCIYMTSA-N 1 2 360.310 3.434 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC000599380487 506434945 /nfs/dbraw/zinc/43/49/45/506434945.db2.gz QGTISFXRWXNNEK-BXUZGUMPSA-N 1 2 363.248 3.442 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000599399755 506440809 /nfs/dbraw/zinc/44/08/09/506440809.db2.gz YQXCTTHQAOQJQG-BXUZGUMPSA-N 1 2 363.248 3.442 20 30 FGEDLO COCc1cc(C#N)ccc1NC[C@@H](c1ccc(C)o1)[NH+]1CCOCC1 ZINC000603273165 506473912 /nfs/dbraw/zinc/47/39/12/506473912.db2.gz OAEAOZFJIBHXQM-IBGZPJMESA-N 1 2 355.438 3.092 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(O)cc3C2)sc2c1CCC2 ZINC000599535927 506490401 /nfs/dbraw/zinc/49/04/01/506490401.db2.gz APCHJKZBQDZYEM-UHFFFAOYSA-N 1 2 353.447 3.158 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(O)cc3C2)sc2c1CCC2 ZINC000599535927 506490404 /nfs/dbraw/zinc/49/04/04/506490404.db2.gz APCHJKZBQDZYEM-UHFFFAOYSA-N 1 2 353.447 3.158 20 30 FGEDLO Cc1cc[nH+]cc1Cc1noc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000596617938 506493271 /nfs/dbraw/zinc/49/32/71/506493271.db2.gz YGSQYLDVHMXLDY-OAHLLOKOSA-N 1 2 363.396 3.369 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000589300696 506510415 /nfs/dbraw/zinc/51/04/15/506510415.db2.gz QEUQTMBBXHKPGV-HNNXBMFYSA-N 1 2 361.445 3.441 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000589300696 506510424 /nfs/dbraw/zinc/51/04/24/506510424.db2.gz QEUQTMBBXHKPGV-HNNXBMFYSA-N 1 2 361.445 3.441 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000612306570 506521198 /nfs/dbraw/zinc/52/11/98/506521198.db2.gz UJTSCBFKGHPQOE-OXJNMPFZSA-N 1 2 356.470 3.237 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000599678408 506573916 /nfs/dbraw/zinc/57/39/16/506573916.db2.gz VBKXLFULILAGOF-UHFFFAOYSA-N 1 2 364.836 3.275 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000599678408 506573921 /nfs/dbraw/zinc/57/39/21/506573921.db2.gz VBKXLFULILAGOF-UHFFFAOYSA-N 1 2 364.836 3.275 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678734 506574978 /nfs/dbraw/zinc/57/49/78/506574978.db2.gz XWFPBJHVXQQEAD-INIZCTEOSA-N 1 2 363.461 3.455 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678734 506574981 /nfs/dbraw/zinc/57/49/81/506574981.db2.gz XWFPBJHVXQQEAD-INIZCTEOSA-N 1 2 363.461 3.455 20 30 FGEDLO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(Br)cn1 ZINC000599678520 506575011 /nfs/dbraw/zinc/57/50/11/506575011.db2.gz SHOSKOWXSPLHQX-UHFFFAOYSA-N 1 2 372.266 3.477 20 30 FGEDLO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(Br)cn1 ZINC000599678520 506575014 /nfs/dbraw/zinc/57/50/14/506575014.db2.gz SHOSKOWXSPLHQX-UHFFFAOYSA-N 1 2 372.266 3.477 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000589514163 506576010 /nfs/dbraw/zinc/57/60/10/506576010.db2.gz GHKKHUZBZVAAHC-CYBMUJFWSA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000589514163 506576016 /nfs/dbraw/zinc/57/60/16/506576016.db2.gz GHKKHUZBZVAAHC-CYBMUJFWSA-N 1 2 354.372 3.347 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3Cc4cccc(C#N)c4C3)c2C1 ZINC000593365000 506577746 /nfs/dbraw/zinc/57/77/46/506577746.db2.gz HZAOXMFIAPSNEV-UHFFFAOYSA-N 1 2 368.440 3.250 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3Cc4cccc(C#N)c4C3)c2C1 ZINC000593365000 506577749 /nfs/dbraw/zinc/57/77/49/506577749.db2.gz HZAOXMFIAPSNEV-UHFFFAOYSA-N 1 2 368.440 3.250 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686296 506580649 /nfs/dbraw/zinc/58/06/49/506580649.db2.gz PHIYBVYMSXJABE-OAHLLOKOSA-N 1 2 351.425 3.127 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686296 506580653 /nfs/dbraw/zinc/58/06/53/506580653.db2.gz PHIYBVYMSXJABE-OAHLLOKOSA-N 1 2 351.425 3.127 20 30 FGEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCC1 ZINC000593429923 506615049 /nfs/dbraw/zinc/61/50/49/506615049.db2.gz MEUBXCSSCRCMPH-OALUTQOASA-N 1 2 363.465 3.495 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000589858801 506665889 /nfs/dbraw/zinc/66/58/89/506665889.db2.gz JXYSMQPCKHJIJM-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1F ZINC000593567821 506686559 /nfs/dbraw/zinc/68/65/59/506686559.db2.gz QHQCQRRZHPXFIM-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)F)cc3)CC2)cc1 ZINC000608810720 506716258 /nfs/dbraw/zinc/71/62/58/506716258.db2.gz KMXANGCXGBNNNG-UHFFFAOYSA-N 1 2 355.388 3.454 20 30 FGEDLO N#Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1OC(F)(F)F ZINC000593683067 506728663 /nfs/dbraw/zinc/72/86/63/506728663.db2.gz WVQFGLLNOCTSBF-UHFFFAOYSA-N 1 2 364.327 3.171 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000609125796 506783476 /nfs/dbraw/zinc/78/34/76/506783476.db2.gz ILFHAJTXGVVOAA-LJQANCHMSA-N 1 2 362.458 3.290 20 30 FGEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000597115084 506783462 /nfs/dbraw/zinc/78/34/62/506783462.db2.gz GJGILHVDDBWSNX-LJQANCHMSA-N 1 2 369.900 3.333 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3ccccc3n2CC#N)c1C ZINC000609169308 506801430 /nfs/dbraw/zinc/80/14/30/506801430.db2.gz AFUDCNSRQSSFHM-UHFFFAOYSA-N 1 2 362.433 3.458 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597183620 506820153 /nfs/dbraw/zinc/82/01/53/506820153.db2.gz NQEUHNWNNLYBPY-HWKANZROSA-N 1 2 354.435 3.363 20 30 FGEDLO CCOCc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1OC ZINC000597184025 506820503 /nfs/dbraw/zinc/82/05/03/506820503.db2.gz RBPGSNKASJJCQZ-UHFFFAOYSA-N 1 2 371.506 3.487 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000583523358 506826353 /nfs/dbraw/zinc/82/63/53/506826353.db2.gz WYTKPIGERYIWMC-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000583523358 506826359 /nfs/dbraw/zinc/82/63/59/506826359.db2.gz WYTKPIGERYIWMC-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000593969012 506857279 /nfs/dbraw/zinc/85/72/79/506857279.db2.gz WOLAAYMAUKTKAZ-NRFANRHFSA-N 1 2 364.493 3.326 20 30 FGEDLO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609486722 506896377 /nfs/dbraw/zinc/89/63/77/506896377.db2.gz PVOXLVIBYPTFPG-GIVPXCGWSA-N 1 2 370.541 3.198 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)c1C ZINC000609680862 506974316 /nfs/dbraw/zinc/97/43/16/506974316.db2.gz IQMDPSWZXLQWDQ-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OCC2(C)C)c1C ZINC000609680862 506974321 /nfs/dbraw/zinc/97/43/21/506974321.db2.gz IQMDPSWZXLQWDQ-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1cccc(C#N)c1 ZINC000597545177 507002463 /nfs/dbraw/zinc/00/24/63/507002463.db2.gz OBBHUANCOSJZIJ-HNNXBMFYSA-N 1 2 374.448 3.163 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000597545177 507002467 /nfs/dbraw/zinc/00/24/67/507002467.db2.gz OBBHUANCOSJZIJ-HNNXBMFYSA-N 1 2 374.448 3.163 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000594247537 507041118 /nfs/dbraw/zinc/04/11/18/507041118.db2.gz HLDHMVQQXYJLJY-QGZVFWFLSA-N 1 2 362.477 3.439 20 30 FGEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC12CCCC2 ZINC000600678514 507061921 /nfs/dbraw/zinc/06/19/21/507061921.db2.gz RZAOENMMENDCNW-JOCHJYFZSA-N 1 2 362.477 3.286 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000610116449 507105039 /nfs/dbraw/zinc/10/50/39/507105039.db2.gz WTPNBSMMTWNAIY-GASCZTMLSA-N 1 2 374.448 3.122 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4cccc(F)c4o3)CC2)cc1 ZINC000610237945 507152999 /nfs/dbraw/zinc/15/29/99/507152999.db2.gz BJWODDARJDLUOQ-UHFFFAOYSA-N 1 2 363.392 3.402 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1 ZINC000591215985 507158291 /nfs/dbraw/zinc/15/82/91/507158291.db2.gz KAKUYTKYGJJCEN-NSHGMRRFSA-N 1 2 365.864 3.488 20 30 FGEDLO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610347255 507204594 /nfs/dbraw/zinc/20/45/94/507204594.db2.gz GRQHXFWYAQUZIT-DNVCBOLYSA-N 1 2 359.433 3.442 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000613666360 507207378 /nfs/dbraw/zinc/20/73/78/507207378.db2.gz GVZJDKPWSWTWLG-LJQANCHMSA-N 1 2 359.433 3.423 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000613666360 507207387 /nfs/dbraw/zinc/20/73/87/507207387.db2.gz GVZJDKPWSWTWLG-LJQANCHMSA-N 1 2 359.433 3.423 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)CSCc3ccc(C#N)cc3)[nH+]c12 ZINC000610434918 507236944 /nfs/dbraw/zinc/23/69/44/507236944.db2.gz QGQXITQSQVWDOV-UHFFFAOYSA-N 1 2 364.474 3.107 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)cc1 ZINC000594717783 507251548 /nfs/dbraw/zinc/25/15/48/507251548.db2.gz GKYCGHOPFRAASM-KRWDZBQOSA-N 1 2 364.367 3.013 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610594192 507310166 /nfs/dbraw/zinc/31/01/66/507310166.db2.gz YHLLPEKVZUSTRF-FGZHOGPDSA-N 1 2 374.488 3.484 20 30 FGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000614186141 507398787 /nfs/dbraw/zinc/39/87/87/507398787.db2.gz YYBUKXNDGFKZCM-UHFFFAOYSA-N 1 2 351.425 3.476 20 30 FGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)cc1 ZINC000614186141 507398792 /nfs/dbraw/zinc/39/87/92/507398792.db2.gz YYBUKXNDGFKZCM-UHFFFAOYSA-N 1 2 351.425 3.476 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccnc(C#N)c1 ZINC000610991420 507470585 /nfs/dbraw/zinc/47/05/85/507470585.db2.gz FGIAVEUBVVXGSS-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccnc(C#N)c1 ZINC000610991420 507470592 /nfs/dbraw/zinc/47/05/92/507470592.db2.gz FGIAVEUBVVXGSS-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990864 507470717 /nfs/dbraw/zinc/47/07/17/507470717.db2.gz REYFWSUYUOFGPW-OAHLLOKOSA-N 1 2 366.465 3.015 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCOC[C@H]2C)c1C#N ZINC000610990864 507470720 /nfs/dbraw/zinc/47/07/20/507470720.db2.gz REYFWSUYUOFGPW-OAHLLOKOSA-N 1 2 366.465 3.015 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)ccn1 ZINC000610993349 507471126 /nfs/dbraw/zinc/47/11/26/507471126.db2.gz LMKHHQNDTANOOB-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)ccn1 ZINC000610993349 507471132 /nfs/dbraw/zinc/47/11/32/507471132.db2.gz LMKHHQNDTANOOB-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000584727556 507474140 /nfs/dbraw/zinc/47/41/40/507474140.db2.gz KHHVYYYRGOUNCK-GFCCVEGCSA-N 1 2 361.467 3.205 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598627986 507522683 /nfs/dbraw/zinc/52/26/83/507522683.db2.gz JTGZWTKXJAYHBI-FUHWJXTLSA-N 1 2 358.482 3.228 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598627986 507522689 /nfs/dbraw/zinc/52/26/89/507522689.db2.gz JTGZWTKXJAYHBI-FUHWJXTLSA-N 1 2 358.482 3.228 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)nc1 ZINC000595502969 507534466 /nfs/dbraw/zinc/53/44/66/507534466.db2.gz XVUJESLRXYXCPS-CQSZACIVSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(F)c3OC(F)F)C2)nc1 ZINC000595502969 507534475 /nfs/dbraw/zinc/53/44/75/507534475.db2.gz XVUJESLRXYXCPS-CQSZACIVSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc4cc(F)ccc4o3)C2=O)cc1 ZINC000602015761 507554992 /nfs/dbraw/zinc/55/49/92/507554992.db2.gz OYUKNUOVNBNTMD-MRXNPFEDSA-N 1 2 364.380 3.124 20 30 FGEDLO C=CCCSCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000595549706 507555515 /nfs/dbraw/zinc/55/55/15/507555515.db2.gz LAMDPYSMACFKJM-HNNXBMFYSA-N 1 2 357.470 3.176 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1Cl ZINC000611207070 507561254 /nfs/dbraw/zinc/56/12/54/507561254.db2.gz QFLYAKYEOQDFQT-UHFFFAOYSA-N 1 2 372.856 3.408 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088133 507585842 /nfs/dbraw/zinc/58/58/42/507585842.db2.gz KYYZPEGMWYRYAE-MRXNPFEDSA-N 1 2 362.355 3.463 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602137822 507604275 /nfs/dbraw/zinc/60/42/75/507604275.db2.gz YDIOCKVMOVGOSV-QGZVFWFLSA-N 1 2 356.426 3.006 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1Cl ZINC000602150786 507606997 /nfs/dbraw/zinc/60/69/97/507606997.db2.gz JEOMBOKYQDVFJE-CYBMUJFWSA-N 1 2 356.735 3.218 20 30 FGEDLO C=CCOc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000614674482 507614103 /nfs/dbraw/zinc/61/41/03/507614103.db2.gz RWKNFPRGCMGISL-UHFFFAOYSA-N 1 2 371.506 3.486 20 30 FGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000611383500 507653138 /nfs/dbraw/zinc/65/31/38/507653138.db2.gz GLSLGFGKFGXIHZ-NEPJUHHUSA-N 1 2 364.243 3.314 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2c(Br)cccc12 ZINC000602331501 507673366 /nfs/dbraw/zinc/67/33/66/507673366.db2.gz DSEKDWOPMVCGEI-QGZVFWFLSA-N 1 2 360.255 3.176 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587061821 507705254 /nfs/dbraw/zinc/70/52/54/507705254.db2.gz IAPOEPBSKZBSOP-MRXNPFEDSA-N 1 2 358.401 3.292 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840596 507709793 /nfs/dbraw/zinc/70/97/93/507709793.db2.gz PUIDLMQDHVZNQE-BLVKFPJESA-N 1 2 355.511 3.176 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840596 507709798 /nfs/dbraw/zinc/70/97/98/507709798.db2.gz PUIDLMQDHVZNQE-BLVKFPJESA-N 1 2 355.511 3.176 20 30 FGEDLO Cc1cn2c([nH+]1)CN(c1c(Br)cc(Cl)cc1C#N)CC2 ZINC000588014720 507734083 /nfs/dbraw/zinc/73/40/83/507734083.db2.gz QPWIUMOUMFIOEQ-UHFFFAOYSA-N 1 2 351.635 3.499 20 30 FGEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000108442541 700525900 /nfs/dbraw/zinc/52/59/00/700525900.db2.gz AWVBQIVCJSPGNO-NRFANRHFSA-N 1 2 353.487 3.473 20 30 FGEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000108442541 700525903 /nfs/dbraw/zinc/52/59/03/700525903.db2.gz AWVBQIVCJSPGNO-NRFANRHFSA-N 1 2 353.487 3.473 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000116267409 700592301 /nfs/dbraw/zinc/59/23/01/700592301.db2.gz AEFVJAVFWCWVBC-UHFFFAOYSA-N 1 2 365.773 3.103 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2occc2CSc2ccccc2)CC1 ZINC000127890490 700768128 /nfs/dbraw/zinc/76/81/28/700768128.db2.gz LSOAVKCBEXVCQQ-UHFFFAOYSA-N 1 2 354.475 3.353 20 30 FGEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@]1(O)CCSC1 ZINC000328946284 713826767 /nfs/dbraw/zinc/82/67/67/713826767.db2.gz GNAIMPWQXCXRDB-RHSMWYFYSA-N 1 2 372.893 3.441 20 30 FGEDLO C[C@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)[NH+]1CCOCC1 ZINC000329460945 713829624 /nfs/dbraw/zinc/82/96/24/713829624.db2.gz PLFXTNDSNJDSJZ-CYBMUJFWSA-N 1 2 352.504 3.237 20 30 FGEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000577725958 714468389 /nfs/dbraw/zinc/46/83/89/714468389.db2.gz FVFYTDDMTLPMHY-UHFFFAOYSA-N 1 2 350.806 3.202 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000779791886 724427399 /nfs/dbraw/zinc/42/73/99/724427399.db2.gz MKVQZRUTOHYYCL-LBPRGKRZSA-N 1 2 358.877 3.230 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754733 717113101 /nfs/dbraw/zinc/11/31/01/717113101.db2.gz JHPDBCVHVZNAMS-UKRRQHHQSA-N 1 2 358.454 3.007 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634754733 717113105 /nfs/dbraw/zinc/11/31/05/717113105.db2.gz JHPDBCVHVZNAMS-UKRRQHHQSA-N 1 2 358.454 3.007 20 30 FGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782948290 724711378 /nfs/dbraw/zinc/71/13/78/724711378.db2.gz JINZLKCVZWNBMF-UHFFFAOYSA-N 1 2 362.227 3.033 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000783533340 724762204 /nfs/dbraw/zinc/76/22/04/724762204.db2.gz YPAKDZWWKYOANX-LJQANCHMSA-N 1 2 356.447 3.108 20 30 FGEDLO CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783705750 724780212 /nfs/dbraw/zinc/78/02/12/724780212.db2.gz CGJKUOYLFVNTEV-VOTSOKGWSA-N 1 2 373.459 3.201 20 30 FGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C(C)C)ccc2C#N)CC1 ZINC001164915454 721813063 /nfs/dbraw/zinc/81/30/63/721813063.db2.gz ARTGBHBSQYRCIZ-UHFFFAOYSA-N 1 2 364.497 3.023 20 30 FGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC001164918843 721818911 /nfs/dbraw/zinc/81/89/11/721818911.db2.gz VQAGTMMMSOIFHD-UHFFFAOYSA-N 1 2 372.476 3.053 20 30 FGEDLO C#CCN(CC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732469407 722485153 /nfs/dbraw/zinc/48/51/53/722485153.db2.gz HSNTXQQALYKRDP-INIZCTEOSA-N 1 2 351.853 3.108 20 30 FGEDLO C#CCN(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732469407 722485154 /nfs/dbraw/zinc/48/51/54/722485154.db2.gz HSNTXQQALYKRDP-INIZCTEOSA-N 1 2 351.853 3.108 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000734823307 722510307 /nfs/dbraw/zinc/51/03/07/722510307.db2.gz AJPBHXPMFDSAHI-IBGZPJMESA-N 1 2 358.507 3.135 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000734823307 722510308 /nfs/dbraw/zinc/51/03/08/722510308.db2.gz AJPBHXPMFDSAHI-IBGZPJMESA-N 1 2 358.507 3.135 20 30 FGEDLO COc1ccccc1C[N@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735309694 722514836 /nfs/dbraw/zinc/51/48/36/722514836.db2.gz RRBRBCCYPIGXAD-UHFFFAOYSA-N 1 2 360.841 3.245 20 30 FGEDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735309694 722514837 /nfs/dbraw/zinc/51/48/37/722514837.db2.gz RRBRBCCYPIGXAD-UHFFFAOYSA-N 1 2 360.841 3.245 20 30 FGEDLO CN1CCc2cc(C=[NH+]Nc3ccc(S(=O)(=O)C(F)F)cc3)ccc21 ZINC000752726778 722868468 /nfs/dbraw/zinc/86/84/68/722868468.db2.gz FEPXYXPTNTZGQD-UHFFFAOYSA-N 1 2 365.405 3.121 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2SCc2ccccc2)C[N@@H+]1C1CC1 ZINC000753954535 722920090 /nfs/dbraw/zinc/92/00/90/722920090.db2.gz DYFMHFJYBNDNCS-GFCCVEGCSA-N 1 2 359.524 3.320 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2SCc2ccccc2)C[N@H+]1C1CC1 ZINC000753954535 722920091 /nfs/dbraw/zinc/92/00/91/722920091.db2.gz DYFMHFJYBNDNCS-GFCCVEGCSA-N 1 2 359.524 3.320 20 30 FGEDLO FC(F)(F)Oc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755628111 722955203 /nfs/dbraw/zinc/95/52/03/722955203.db2.gz FKCCPDHHMHTAOT-UHFFFAOYSA-N 1 2 372.372 3.324 20 30 FGEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c(=O)c1C#N ZINC000758204474 722986115 /nfs/dbraw/zinc/98/61/15/722986115.db2.gz JWMCFWKOUGTROY-INIZCTEOSA-N 1 2 357.841 3.183 20 30 FGEDLO Cc1ccn(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c(=O)c1C#N ZINC000758204474 722986116 /nfs/dbraw/zinc/98/61/16/722986116.db2.gz JWMCFWKOUGTROY-INIZCTEOSA-N 1 2 357.841 3.183 20 30 FGEDLO N#Cc1cccn(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1=O ZINC000758207803 722986199 /nfs/dbraw/zinc/98/61/99/722986199.db2.gz UPKUDIYYPCVFPJ-UHFFFAOYSA-N 1 2 358.239 3.105 20 30 FGEDLO N#Cc1cccn(C[N@H+](Cc2cccc(Br)c2)C2CC2)c1=O ZINC000758207803 722986200 /nfs/dbraw/zinc/98/62/00/722986200.db2.gz UPKUDIYYPCVFPJ-UHFFFAOYSA-N 1 2 358.239 3.105 20 30 FGEDLO Cn1cc[nH+]c1NN=Cc1ccc(Br)c(Br)c1 ZINC000790299679 723124452 /nfs/dbraw/zinc/12/44/52/723124452.db2.gz IHPQMFFDCYAHDB-UHFFFAOYSA-N 1 2 358.037 3.391 20 30 FGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)OCC(=O)N2 ZINC000794731560 723543333 /nfs/dbraw/zinc/54/33/33/723543333.db2.gz BLXKFJOLPLAOFD-RQOWECAXSA-N 1 2 351.387 3.161 20 30 FGEDLO COc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c([N+](=O)[O-])cc1F ZINC000766068240 723553799 /nfs/dbraw/zinc/55/37/99/723553799.db2.gz BIWSRBNBBOGUKC-UHFFFAOYSA-N 1 2 351.309 3.027 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2Br)cc1 ZINC000768298554 723653274 /nfs/dbraw/zinc/65/32/74/723653274.db2.gz BYGYTPWXMVVATO-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[C@@H]1CCSC1 ZINC000773983066 723846015 /nfs/dbraw/zinc/84/60/15/723846015.db2.gz FIMHZHBCWUNVIJ-VXGBXAGGSA-N 1 2 364.421 3.045 20 30 FGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[C@@H]1CCSC1 ZINC000773983066 723846017 /nfs/dbraw/zinc/84/60/17/723846017.db2.gz FIMHZHBCWUNVIJ-VXGBXAGGSA-N 1 2 364.421 3.045 20 30 FGEDLO C=CCn1nnn(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1=S ZINC000774609645 723910175 /nfs/dbraw/zinc/91/01/75/723910175.db2.gz OUEFQTMDHVEUNO-MRXNPFEDSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1nnn(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1=S ZINC000774609645 723910177 /nfs/dbraw/zinc/91/01/77/723910177.db2.gz OUEFQTMDHVEUNO-MRXNPFEDSA-N 1 2 358.515 3.383 20 30 FGEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC=C(Br)C1 ZINC000799574885 724061693 /nfs/dbraw/zinc/06/16/93/724061693.db2.gz PNBKJEZHUGSJPM-UHFFFAOYSA-N 1 2 358.243 3.067 20 30 FGEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC=C(Br)C1 ZINC000799574885 724061696 /nfs/dbraw/zinc/06/16/96/724061696.db2.gz PNBKJEZHUGSJPM-UHFFFAOYSA-N 1 2 358.243 3.067 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000801071331 724267458 /nfs/dbraw/zinc/26/74/58/724267458.db2.gz CUQNIRFNCVHHLO-HNNXBMFYSA-N 1 2 357.845 3.034 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)CCSc2ccc(Cl)cc2)n1 ZINC000789322159 725122159 /nfs/dbraw/zinc/12/21/59/725122159.db2.gz ASUVKNSOXNBVFT-UHFFFAOYSA-N 1 2 363.914 3.410 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSc2ccc(Cl)cc2)n1 ZINC000789322159 725122162 /nfs/dbraw/zinc/12/21/62/725122162.db2.gz ASUVKNSOXNBVFT-UHFFFAOYSA-N 1 2 363.914 3.410 20 30 FGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789523373 725133920 /nfs/dbraw/zinc/13/39/20/725133920.db2.gz YKHGMQDXVJLMFN-HXUWFJFHSA-N 1 2 352.865 3.424 20 30 FGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789523373 725133922 /nfs/dbraw/zinc/13/39/22/725133922.db2.gz YKHGMQDXVJLMFN-HXUWFJFHSA-N 1 2 352.865 3.424 20 30 FGEDLO C[C@H]1C(N=Nc2ccccc2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000811642435 725375545 /nfs/dbraw/zinc/37/55/45/725375545.db2.gz QZZLIGHTCQSPSC-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1C(N=Nc2ccccc2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000811642435 725375546 /nfs/dbraw/zinc/37/55/46/725375546.db2.gz QZZLIGHTCQSPSC-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C(=NNC[C@@H]1CCSC1)c1ccc(C=[NH+]NC[C@@H]2CCSC2)cc1 ZINC000811657823 725375844 /nfs/dbraw/zinc/37/58/44/725375844.db2.gz AQJYVHFYZRHUOP-ROUUACIJSA-N 1 2 362.568 3.040 20 30 FGEDLO Cn1c[nH+]cc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000811882293 725383837 /nfs/dbraw/zinc/38/38/37/725383837.db2.gz HATWTYPSRRRXLJ-UHFFFAOYSA-N 1 2 351.435 3.020 20 30 FGEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000826724924 729413278 /nfs/dbraw/zinc/41/32/78/729413278.db2.gz RYXICFIEJMZBMM-LJQANCHMSA-N 1 2 351.475 3.094 20 30 FGEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000826724924 729413280 /nfs/dbraw/zinc/41/32/80/729413280.db2.gz RYXICFIEJMZBMM-LJQANCHMSA-N 1 2 351.475 3.094 20 30 FGEDLO CO[C@@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000841614562 730260021 /nfs/dbraw/zinc/26/00/21/730260021.db2.gz PCQDMNLXHQMEIS-ZFWWWQNUSA-N 1 2 366.874 3.109 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1cnccn1 ZINC000842618829 730519777 /nfs/dbraw/zinc/51/97/77/730519777.db2.gz RQCLYSLBHNEMGU-HOCLYGCPSA-N 1 2 356.499 3.279 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1cnccn1 ZINC000842618829 730519780 /nfs/dbraw/zinc/51/97/80/730519780.db2.gz RQCLYSLBHNEMGU-HOCLYGCPSA-N 1 2 356.499 3.279 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366289 730707821 /nfs/dbraw/zinc/70/78/21/730707821.db2.gz LZNRHASZLKKFJE-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366289 730707826 /nfs/dbraw/zinc/70/78/26/730707826.db2.gz LZNRHASZLKKFJE-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365239 730708188 /nfs/dbraw/zinc/70/81/88/730708188.db2.gz AHRKUVBNIZTSDE-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365239 730708193 /nfs/dbraw/zinc/70/81/93/730708193.db2.gz AHRKUVBNIZTSDE-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368313 730708626 /nfs/dbraw/zinc/70/86/26/730708626.db2.gz DIPGQBWMEMVKDK-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368313 730708627 /nfs/dbraw/zinc/70/86/27/730708627.db2.gz DIPGQBWMEMVKDK-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282180 730826990 /nfs/dbraw/zinc/82/69/90/730826990.db2.gz UATVIVFKWIDTJK-CABCVRRESA-N 1 2 361.467 3.042 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)CCSc2cccc(Cl)c2)n1 ZINC000851996642 731529892 /nfs/dbraw/zinc/52/98/92/731529892.db2.gz YGGVLSGNCXMGKP-UHFFFAOYSA-N 1 2 363.914 3.410 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSc2cccc(Cl)c2)n1 ZINC000851996642 731529893 /nfs/dbraw/zinc/52/98/93/731529893.db2.gz YGGVLSGNCXMGKP-UHFFFAOYSA-N 1 2 363.914 3.410 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(Cl)c(C(=O)OC)n1 ZINC000853803704 731756401 /nfs/dbraw/zinc/75/64/01/731756401.db2.gz GFKJOCKCAKLPMF-UHFFFAOYSA-N 1 2 359.813 3.321 20 30 FGEDLO C#CC[C@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000858334807 732204582 /nfs/dbraw/zinc/20/45/82/732204582.db2.gz GGKPVVJZGFWODK-OAHLLOKOSA-N 1 2 361.442 3.095 20 30 FGEDLO CNC(=S)N(C)N=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863119869 732916528 /nfs/dbraw/zinc/91/65/28/732916528.db2.gz JNQVLDDBQVFCHC-CQSZACIVSA-N 1 2 369.332 3.008 20 30 FGEDLO CNC(=S)N(C)N=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863119869 732916531 /nfs/dbraw/zinc/91/65/31/732916531.db2.gz JNQVLDDBQVFCHC-CQSZACIVSA-N 1 2 369.332 3.008 20 30 FGEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876940594 736165133 /nfs/dbraw/zinc/16/51/33/736165133.db2.gz WBPIDDOQMUWISY-ZDUSSCGKSA-N 1 2 356.857 3.425 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052972 737109944 /nfs/dbraw/zinc/10/99/44/737109944.db2.gz ZOTFRLWLKQNEOU-SJORKVTESA-N 1 2 354.372 3.080 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052972 737109949 /nfs/dbraw/zinc/10/99/49/737109949.db2.gz ZOTFRLWLKQNEOU-SJORKVTESA-N 1 2 354.372 3.080 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000890452074 739801002 /nfs/dbraw/zinc/80/10/02/739801002.db2.gz JVIGOYRQQOCJBH-UHFFFAOYSA-N 1 2 355.467 3.023 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cs1 ZINC000891816104 739939309 /nfs/dbraw/zinc/93/93/09/739939309.db2.gz MSDXJCYONOXDDL-UHFFFAOYSA-N 1 2 357.454 3.036 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cs1 ZINC000891816104 739939314 /nfs/dbraw/zinc/93/93/14/739939314.db2.gz MSDXJCYONOXDDL-UHFFFAOYSA-N 1 2 357.454 3.036 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(Br)cc1 ZINC000894870784 742345271 /nfs/dbraw/zinc/34/52/71/742345271.db2.gz PERCHPHVXGODSK-IINYFYTJSA-N 1 2 351.269 3.423 20 30 FGEDLO O=C1[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCCN1O ZINC000895165893 742383484 /nfs/dbraw/zinc/38/34/84/742383484.db2.gz NRJOEZWGBAJWQB-ZDUSSCGKSA-N 1 2 371.384 3.299 20 30 FGEDLO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1S(=O)(=O)C(F)F ZINC000903031137 743798752 /nfs/dbraw/zinc/79/87/52/743798752.db2.gz IVUKVUQRGLHDSO-NSHDSACASA-N 1 2 358.410 3.036 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1C#N ZINC000909615611 744380624 /nfs/dbraw/zinc/38/06/24/744380624.db2.gz REEIEGJHHHVGLF-UHFFFAOYSA-N 1 2 356.451 3.003 20 30 FGEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cc1OC ZINC000916285342 758064225 /nfs/dbraw/zinc/06/42/25/758064225.db2.gz GMBUEVOJNWQHEJ-UHFFFAOYSA-N 1 2 358.467 3.090 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000917028257 758168730 /nfs/dbraw/zinc/16/87/30/758168730.db2.gz OMIPQMMGDRCTLE-RVKKMQEKSA-N 1 2 355.511 3.495 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000917028259 758168992 /nfs/dbraw/zinc/16/89/92/758168992.db2.gz OMIPQMMGDRCTLE-VKJFTORMSA-N 1 2 355.511 3.495 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953906 758827615 /nfs/dbraw/zinc/82/76/15/758827615.db2.gz ZBJAOQLVYLBPFS-ROUUACIJSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953906 758827622 /nfs/dbraw/zinc/82/76/22/758827622.db2.gz ZBJAOQLVYLBPFS-ROUUACIJSA-N 1 2 361.898 3.435 20 30 FGEDLO C[C@H](c1cccc(NC(=O)C2(C#N)CCSCC2)c1)[NH+]1CCOCC1 ZINC000931999044 761027790 /nfs/dbraw/zinc/02/77/90/761027790.db2.gz CUUGRIVSDFDPKR-OAHLLOKOSA-N 1 2 359.495 3.055 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ncc(Br)cn2)cc1 ZINC000932264555 761114012 /nfs/dbraw/zinc/11/40/12/761114012.db2.gz JLQPLXBMPKFGFK-INIZCTEOSA-N 1 2 357.255 3.490 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2c2ncc(Br)cn2)cc1 ZINC000932264555 761114018 /nfs/dbraw/zinc/11/40/18/761114018.db2.gz JLQPLXBMPKFGFK-INIZCTEOSA-N 1 2 357.255 3.490 20 30 FGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126922 761322952 /nfs/dbraw/zinc/32/29/52/761322952.db2.gz UQHCBFIXFCZFHF-QAPCUYQASA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126922 761322962 /nfs/dbraw/zinc/32/29/62/761322962.db2.gz UQHCBFIXFCZFHF-QAPCUYQASA-N 1 2 355.463 3.102 20 30 FGEDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933654354 761447395 /nfs/dbraw/zinc/44/73/95/761447395.db2.gz TWYKJURPFXIGHO-AWEZNQCLSA-N 1 2 360.479 3.073 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775032 761470953 /nfs/dbraw/zinc/47/09/53/761470953.db2.gz INAOHHMKVWNNSM-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000933775032 761470956 /nfs/dbraw/zinc/47/09/56/761470956.db2.gz INAOHHMKVWNNSM-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775589 761471149 /nfs/dbraw/zinc/47/11/49/761471149.db2.gz KKAUIPAFUNVXDG-UONOGXRCSA-N 1 2 357.479 3.326 20 30 FGEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775589 761471152 /nfs/dbraw/zinc/47/11/52/761471152.db2.gz KKAUIPAFUNVXDG-UONOGXRCSA-N 1 2 357.479 3.326 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC000992243927 764592005 /nfs/dbraw/zinc/59/20/05/764592005.db2.gz WYEOAIKAKLVOKK-AIHATNLBSA-N 1 2 359.297 3.010 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC000992243927 764592007 /nfs/dbraw/zinc/59/20/07/764592007.db2.gz WYEOAIKAKLVOKK-AIHATNLBSA-N 1 2 359.297 3.010 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001187095 765273007 /nfs/dbraw/zinc/27/30/07/765273007.db2.gz NXZNQNYDBAFKSZ-HUUCEWRRSA-N 1 2 365.271 3.040 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001187095 765273012 /nfs/dbraw/zinc/27/30/12/765273012.db2.gz NXZNQNYDBAFKSZ-HUUCEWRRSA-N 1 2 365.271 3.040 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 ZINC001001243757 765275491 /nfs/dbraw/zinc/27/54/91/765275491.db2.gz UTAVLTCFIFJSFL-RBUKOAKNSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 ZINC001001243757 765275495 /nfs/dbraw/zinc/27/54/95/765275495.db2.gz UTAVLTCFIFJSFL-RBUKOAKNSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001008031937 765636362 /nfs/dbraw/zinc/63/63/62/765636362.db2.gz MXQVHKJOLGKABX-CWRNSKLLSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001008031937 765636368 /nfs/dbraw/zinc/63/63/68/765636368.db2.gz MXQVHKJOLGKABX-CWRNSKLLSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001014466137 765782162 /nfs/dbraw/zinc/78/21/62/765782162.db2.gz BALXBRXSJDZOOW-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001014466137 765782168 /nfs/dbraw/zinc/78/21/68/765782168.db2.gz BALXBRXSJDZOOW-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001015726093 765800784 /nfs/dbraw/zinc/80/07/84/765800784.db2.gz JMUMUXFZXBZHCZ-AHIWAGSCSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001015726093 765800791 /nfs/dbraw/zinc/80/07/91/765800791.db2.gz JMUMUXFZXBZHCZ-AHIWAGSCSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001028020210 766108234 /nfs/dbraw/zinc/10/82/34/766108234.db2.gz QFDWJRWEOXSQNR-SYNHAJSKSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001028020210 766108236 /nfs/dbraw/zinc/10/82/36/766108236.db2.gz QFDWJRWEOXSQNR-SYNHAJSKSA-N 1 2 360.885 3.060 20 30 FGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031990131 766190355 /nfs/dbraw/zinc/19/03/55/766190355.db2.gz QKSDEABQZUSFGZ-UYAOXDASSA-N 1 2 358.913 3.422 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033984691 766231752 /nfs/dbraw/zinc/23/17/52/766231752.db2.gz YBAKDMSBDNMIFE-BPQIPLTHSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001033984691 766231753 /nfs/dbraw/zinc/23/17/53/766231753.db2.gz YBAKDMSBDNMIFE-BPQIPLTHSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001039450888 766297042 /nfs/dbraw/zinc/29/70/42/766297042.db2.gz YZJKDBIQYOPPGO-FXUDXRNXSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001039450888 766297045 /nfs/dbraw/zinc/29/70/45/766297045.db2.gz YZJKDBIQYOPPGO-FXUDXRNXSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)O2 ZINC001053673566 766994654 /nfs/dbraw/zinc/99/46/54/766994654.db2.gz CUSBSIKLEISSNQ-BRWVUGGUSA-N 1 2 360.523 3.086 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000576733240 505581091 /nfs/dbraw/zinc/58/10/91/505581091.db2.gz JPWDUMGHYDRUAE-XMTFNYHQSA-N 1 2 350.422 3.138 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000576733240 505581094 /nfs/dbraw/zinc/58/10/94/505581094.db2.gz JPWDUMGHYDRUAE-XMTFNYHQSA-N 1 2 350.422 3.138 20 30 FGEDLO Cc1ccc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000576977255 505637366 /nfs/dbraw/zinc/63/73/66/505637366.db2.gz CUTWEAWYUZDNTM-INIZCTEOSA-N 1 2 357.479 3.037 20 30 FGEDLO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000576977255 505637371 /nfs/dbraw/zinc/63/73/71/505637371.db2.gz CUTWEAWYUZDNTM-INIZCTEOSA-N 1 2 357.479 3.037 20 30 FGEDLO CC1(C)C[NH+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000573979801 505665303 /nfs/dbraw/zinc/66/53/03/505665303.db2.gz OVKSFWPWYCOMPY-UHFFFAOYSA-N 1 2 362.433 3.091 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c(F)c1 ZINC000075916783 493796070 /nfs/dbraw/zinc/79/60/70/493796070.db2.gz HKMNDPFRXUMFOK-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c(F)c1 ZINC000075916783 493796073 /nfs/dbraw/zinc/79/60/73/493796073.db2.gz HKMNDPFRXUMFOK-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1cccs1 ZINC000028726422 493798470 /nfs/dbraw/zinc/79/84/70/493798470.db2.gz YOVHJXYUVLDEEO-UHFFFAOYSA-N 1 2 357.479 3.125 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1cccs1 ZINC000028726422 493798474 /nfs/dbraw/zinc/79/84/74/493798474.db2.gz YOVHJXYUVLDEEO-UHFFFAOYSA-N 1 2 357.479 3.125 20 30 FGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857282 493862717 /nfs/dbraw/zinc/86/27/17/493862717.db2.gz ZHWMHADEIXIYQH-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO COc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512428 493906467 /nfs/dbraw/zinc/90/64/67/493906467.db2.gz USNYXMVMOUQATB-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512428 493906472 /nfs/dbraw/zinc/90/64/72/493906472.db2.gz USNYXMVMOUQATB-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC1CC1 ZINC000081514644 493907565 /nfs/dbraw/zinc/90/75/65/493907565.db2.gz MPLORAIPNMWQOZ-UHFFFAOYSA-N 1 2 357.351 3.086 20 30 FGEDLO N#CCC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC1CC1 ZINC000081514644 493907569 /nfs/dbraw/zinc/90/75/69/493907569.db2.gz MPLORAIPNMWQOZ-UHFFFAOYSA-N 1 2 357.351 3.086 20 30 FGEDLO C[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000081514685 493907897 /nfs/dbraw/zinc/90/78/97/493907897.db2.gz HHPQHYCQOWQJAC-ZDUSSCGKSA-N 1 2 369.387 3.388 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000081514685 493907898 /nfs/dbraw/zinc/90/78/98/493907898.db2.gz HHPQHYCQOWQJAC-ZDUSSCGKSA-N 1 2 369.387 3.388 20 30 FGEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513463 493908073 /nfs/dbraw/zinc/90/80/73/493908073.db2.gz NTGJXWISKRJPTB-HXUWFJFHSA-N 1 2 354.475 3.341 20 30 FGEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513463 493908077 /nfs/dbraw/zinc/90/80/77/493908077.db2.gz NTGJXWISKRJPTB-HXUWFJFHSA-N 1 2 354.475 3.341 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000076797883 493972060 /nfs/dbraw/zinc/97/20/60/493972060.db2.gz HGAFPBGQSDGIAT-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000083170873 494002245 /nfs/dbraw/zinc/00/22/45/494002245.db2.gz CGQSNHAUUSSOHR-DOTOQJQBSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000083170873 494002248 /nfs/dbraw/zinc/00/22/48/494002248.db2.gz CGQSNHAUUSSOHR-DOTOQJQBSA-N 1 2 355.438 3.354 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000007717283 494037583 /nfs/dbraw/zinc/03/75/83/494037583.db2.gz OSBLDZAZUSURPJ-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000007717283 494037589 /nfs/dbraw/zinc/03/75/89/494037589.db2.gz OSBLDZAZUSURPJ-LJQANCHMSA-N 1 2 365.433 3.351 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C ZINC000007914567 494051178 /nfs/dbraw/zinc/05/11/78/494051178.db2.gz VCKOMBIXYHUTIR-UHFFFAOYSA-N 1 2 364.449 3.156 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C ZINC000007914567 494051181 /nfs/dbraw/zinc/05/11/81/494051181.db2.gz VCKOMBIXYHUTIR-UHFFFAOYSA-N 1 2 364.449 3.156 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Cl)cc1Cl ZINC000052919997 494075879 /nfs/dbraw/zinc/07/58/79/494075879.db2.gz PWDUNHOUVRSQBF-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Cl)cc1Cl ZINC000052919997 494075881 /nfs/dbraw/zinc/07/58/81/494075881.db2.gz PWDUNHOUVRSQBF-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000036660737 494094776 /nfs/dbraw/zinc/09/47/76/494094776.db2.gz VWHBNOGRBLXCAH-OAHLLOKOSA-N 1 2 362.433 3.190 20 30 FGEDLO COc1ccc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000072490577 494185789 /nfs/dbraw/zinc/18/57/89/494185789.db2.gz MCWMRCVIAFCZNY-UHFFFAOYSA-N 1 2 355.463 3.446 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c1C#N ZINC000571334191 505708968 /nfs/dbraw/zinc/70/89/68/505708968.db2.gz MQUPUWHTIJNCQA-UHFFFAOYSA-N 1 2 365.433 3.092 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000072691453 494234031 /nfs/dbraw/zinc/23/40/31/494234031.db2.gz WJXZMIMNYZTARI-OAHLLOKOSA-N 1 2 351.441 3.274 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000072691453 494234034 /nfs/dbraw/zinc/23/40/34/494234034.db2.gz WJXZMIMNYZTARI-OAHLLOKOSA-N 1 2 351.441 3.274 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054676970 494260069 /nfs/dbraw/zinc/26/00/69/494260069.db2.gz AGUGPIWDSCVBFR-HNNXBMFYSA-N 1 2 372.494 3.474 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054676970 494260074 /nfs/dbraw/zinc/26/00/74/494260074.db2.gz AGUGPIWDSCVBFR-HNNXBMFYSA-N 1 2 372.494 3.474 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000043281327 494283593 /nfs/dbraw/zinc/28/35/93/494283593.db2.gz LPZKIERFYIHQEY-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089642413 494336821 /nfs/dbraw/zinc/33/68/21/494336821.db2.gz SDBNNGNIRQIPKU-UHFFFAOYSA-N 1 2 366.446 3.432 20 30 FGEDLO COc1ccc([C@H](NC(=O)Nc2ccc(C#N)cc2)c2[nH+]ccn2C)cc1 ZINC000045029403 494392240 /nfs/dbraw/zinc/39/22/40/494392240.db2.gz QAYBKUVUEFNPGU-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO OC1(C(F)(F)F)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000089970950 494416869 /nfs/dbraw/zinc/41/68/69/494416869.db2.gz UZFUHFIUDYMJQM-UHFFFAOYSA-N 1 2 351.290 3.446 20 30 FGEDLO CC(C)CCC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258089 494558325 /nfs/dbraw/zinc/55/83/25/494558325.db2.gz BQXKKMOFIDRWDN-LJQANCHMSA-N 1 2 370.541 3.007 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000080102235 494594635 /nfs/dbraw/zinc/59/46/35/494594635.db2.gz GLSLYCOLHYSMHD-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000080102235 494594642 /nfs/dbraw/zinc/59/46/42/494594642.db2.gz GLSLYCOLHYSMHD-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361472 494605789 /nfs/dbraw/zinc/60/57/89/494605789.db2.gz NDVTTXJKQZQGBH-SFHVURJKSA-N 1 2 351.512 3.431 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361472 494605796 /nfs/dbraw/zinc/60/57/96/494605796.db2.gz NDVTTXJKQZQGBH-SFHVURJKSA-N 1 2 351.512 3.431 20 30 FGEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000121213393 494649069 /nfs/dbraw/zinc/64/90/69/494649069.db2.gz WIRQDLNWCRADHS-IBGZPJMESA-N 1 2 350.462 3.396 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246505 494713769 /nfs/dbraw/zinc/71/37/69/494713769.db2.gz WKYWOIUYOFKENT-CXAGYDPISA-N 1 2 371.403 3.460 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246505 494713777 /nfs/dbraw/zinc/71/37/77/494713777.db2.gz WKYWOIUYOFKENT-CXAGYDPISA-N 1 2 371.403 3.460 20 30 FGEDLO CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000568635355 505741100 /nfs/dbraw/zinc/74/11/00/505741100.db2.gz YBWIHDAADRJGST-UHFFFAOYSA-N 1 2 366.421 3.187 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371672 494822745 /nfs/dbraw/zinc/82/27/45/494822745.db2.gz HWGWRZHHCUAPJH-GOSISDBHSA-N 1 2 359.514 3.295 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371672 494822747 /nfs/dbraw/zinc/82/27/47/494822747.db2.gz HWGWRZHHCUAPJH-GOSISDBHSA-N 1 2 359.514 3.295 20 30 FGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000026866938 494842297 /nfs/dbraw/zinc/84/22/97/494842297.db2.gz DKYZMZFXOPZFHT-MRXNPFEDSA-N 1 2 350.422 3.345 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccnc2)ccc1Cl ZINC000132302671 494853324 /nfs/dbraw/zinc/85/33/24/494853324.db2.gz UXMMZQCSPUCJEI-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccnc2)ccc1Cl ZINC000132302671 494853328 /nfs/dbraw/zinc/85/33/28/494853328.db2.gz UXMMZQCSPUCJEI-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO Fc1cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)ccc1OC(F)F ZINC000093416442 494888915 /nfs/dbraw/zinc/88/89/15/494888915.db2.gz VUZGDIFAUJBAGH-UHFFFAOYSA-N 1 2 374.300 3.445 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000132856683 494934564 /nfs/dbraw/zinc/93/45/64/494934564.db2.gz PNEXMPAELBYFFM-UHFFFAOYSA-N 1 2 354.360 3.300 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(Br)c1 ZINC000122238422 494944844 /nfs/dbraw/zinc/94/48/44/494944844.db2.gz AADCHJUGULKAFU-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127619501 494970648 /nfs/dbraw/zinc/97/06/48/494970648.db2.gz LTTBDAPBXXIRGM-RBUKOAKNSA-N 1 2 374.387 3.267 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127619501 494970653 /nfs/dbraw/zinc/97/06/53/494970653.db2.gz LTTBDAPBXXIRGM-RBUKOAKNSA-N 1 2 374.387 3.267 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127623407 494971473 /nfs/dbraw/zinc/97/14/73/494971473.db2.gz BTGYIOIXBFVTJT-HKUYNNGSSA-N 1 2 371.387 3.042 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000127623407 494971475 /nfs/dbraw/zinc/97/14/75/494971475.db2.gz BTGYIOIXBFVTJT-HKUYNNGSSA-N 1 2 371.387 3.042 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981591 495028084 /nfs/dbraw/zinc/02/80/84/495028084.db2.gz MXMHPEZUYXPLLD-HUUCEWRRSA-N 1 2 352.425 3.027 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981591 495028088 /nfs/dbraw/zinc/02/80/88/495028088.db2.gz MXMHPEZUYXPLLD-HUUCEWRRSA-N 1 2 352.425 3.027 20 30 FGEDLO C=CC1CC[NH+](Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 ZINC000111259471 495055967 /nfs/dbraw/zinc/05/59/67/495055967.db2.gz NVKCPHODLINBLK-UHFFFAOYSA-N 1 2 356.495 3.175 20 30 FGEDLO OC1(C(F)(F)F)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000128290424 495074449 /nfs/dbraw/zinc/07/44/49/495074449.db2.gz OECMXEWXNXARCZ-UHFFFAOYSA-N 1 2 367.289 3.326 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000128368192 495086662 /nfs/dbraw/zinc/08/66/62/495086662.db2.gz RJBMOQAQWXHCEC-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000128368192 495086665 /nfs/dbraw/zinc/08/66/65/495086665.db2.gz RJBMOQAQWXHCEC-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000101864002 495103489 /nfs/dbraw/zinc/10/34/89/495103489.db2.gz ZPPRFWYEDVOAFI-UHFFFAOYSA-N 1 2 367.478 3.226 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101865994 495103763 /nfs/dbraw/zinc/10/37/63/495103763.db2.gz GYENRACCHPOXGP-IBGZPJMESA-N 1 2 352.438 3.022 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000119192537 495114338 /nfs/dbraw/zinc/11/43/38/495114338.db2.gz USXGKNARCJQUBP-UHFFFAOYSA-N 1 2 371.268 3.073 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000128759413 495146574 /nfs/dbraw/zinc/14/65/74/495146574.db2.gz YJQULQUXBOCTHS-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000103139255 495197655 /nfs/dbraw/zinc/19/76/55/495197655.db2.gz ZYWKPHMZYWONHS-UHFFFAOYSA-N 1 2 353.397 3.254 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129340114 495231308 /nfs/dbraw/zinc/23/13/08/495231308.db2.gz DRVARVCFWKUNCA-QAPCUYQASA-N 1 2 355.438 3.180 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(C#N)CC2)C[C@H](C)O1 ZINC000105004857 495325300 /nfs/dbraw/zinc/32/53/00/495325300.db2.gz XWYGVSLVULCESX-IYBDPMFKSA-N 1 2 356.470 3.063 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(C#N)CC2)C[C@H](C)O1 ZINC000105004857 495325302 /nfs/dbraw/zinc/32/53/02/495325302.db2.gz XWYGVSLVULCESX-IYBDPMFKSA-N 1 2 356.470 3.063 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000136110021 495356304 /nfs/dbraw/zinc/35/63/04/495356304.db2.gz MMRNPJLVCVMRPC-UHFFFAOYSA-N 1 2 363.512 3.436 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125073844 495386047 /nfs/dbraw/zinc/38/60/47/495386047.db2.gz ALRGMOLLNWBYDZ-BFUOFWGJSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@](C)(O)C1 ZINC000125073844 495386049 /nfs/dbraw/zinc/38/60/49/495386049.db2.gz ALRGMOLLNWBYDZ-BFUOFWGJSA-N 1 2 361.511 3.062 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130920901 495466838 /nfs/dbraw/zinc/46/68/38/495466838.db2.gz PXAMMYWZKACGFP-WMLDXEAASA-N 1 2 356.401 3.149 20 30 FGEDLO CC(C)=C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000139407547 495477620 /nfs/dbraw/zinc/47/76/20/495477620.db2.gz QMHPWKHMXRTMPX-WOJBJXKFSA-N 1 2 351.494 3.441 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000176209114 495546804 /nfs/dbraw/zinc/54/68/04/495546804.db2.gz ICCCAHBGMLEXKR-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000176209114 495546811 /nfs/dbraw/zinc/54/68/11/495546811.db2.gz ICCCAHBGMLEXKR-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000145492060 495556817 /nfs/dbraw/zinc/55/68/17/495556817.db2.gz AETWXPLKPKCGEN-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000176291047 495582490 /nfs/dbraw/zinc/58/24/90/495582490.db2.gz IQQRRZVUVIDFTM-UHFFFAOYSA-N 1 2 373.678 3.188 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000176338990 495607142 /nfs/dbraw/zinc/60/71/42/495607142.db2.gz WHUVBUNMDFZWKS-UHFFFAOYSA-N 1 2 352.344 3.011 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)[nH+]c(C)n2)cc1 ZINC000150694651 495609317 /nfs/dbraw/zinc/60/93/17/495609317.db2.gz RXYKEBVOULRCFA-UHFFFAOYSA-N 1 2 363.421 3.405 20 30 FGEDLO N#C[C@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CCCC2 ZINC000577817668 505797045 /nfs/dbraw/zinc/79/70/45/505797045.db2.gz SASKRZSBKODDJB-IERDGZPVSA-N 1 2 352.482 3.399 20 30 FGEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000150995983 495705571 /nfs/dbraw/zinc/70/55/71/495705571.db2.gz BBHRIIYHACXNGY-OAHLLOKOSA-N 1 2 370.478 3.441 20 30 FGEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000150995983 495705574 /nfs/dbraw/zinc/70/55/74/495705574.db2.gz BBHRIIYHACXNGY-OAHLLOKOSA-N 1 2 370.478 3.441 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(C#N)c1C ZINC000179810391 495743874 /nfs/dbraw/zinc/74/38/74/495743874.db2.gz QXRZOWCUXJHJMO-HNNXBMFYSA-N 1 2 373.482 3.422 20 30 FGEDLO C=CC[N@@H+](CCN1CCCC1=O)Cc1cc(Br)ccc1F ZINC000159553348 495758191 /nfs/dbraw/zinc/75/81/91/495758191.db2.gz DPIHEVOMWHUHHG-UHFFFAOYSA-N 1 2 355.251 3.199 20 30 FGEDLO C=CC[N@H+](CCN1CCCC1=O)Cc1cc(Br)ccc1F ZINC000159553348 495758197 /nfs/dbraw/zinc/75/81/97/495758197.db2.gz DPIHEVOMWHUHHG-UHFFFAOYSA-N 1 2 355.251 3.199 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179988675 495812442 /nfs/dbraw/zinc/81/24/42/495812442.db2.gz RKCGYCKYNCSQNP-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000577882879 505811488 /nfs/dbraw/zinc/81/14/88/505811488.db2.gz PHPDWZRCMWAEIQ-HXUWFJFHSA-N 1 2 361.445 3.159 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000577882879 505811492 /nfs/dbraw/zinc/81/14/92/505811492.db2.gz PHPDWZRCMWAEIQ-HXUWFJFHSA-N 1 2 361.445 3.159 20 30 FGEDLO CCOc1ccccc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000177076717 495914339 /nfs/dbraw/zinc/91/43/39/495914339.db2.gz BOWGACCKPGGHQT-INIZCTEOSA-N 1 2 355.463 3.256 20 30 FGEDLO CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000177076717 495914345 /nfs/dbraw/zinc/91/43/45/495914345.db2.gz BOWGACCKPGGHQT-INIZCTEOSA-N 1 2 355.463 3.256 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000155349705 495929192 /nfs/dbraw/zinc/92/91/92/495929192.db2.gz YZWHEQUJOLZOHE-UHFFFAOYSA-N 1 2 368.868 3.211 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1C)c1[nH+]ccn1C ZINC000160344511 495941814 /nfs/dbraw/zinc/94/18/14/495941814.db2.gz GXYPXDMWZSSPPN-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000151898586 495985742 /nfs/dbraw/zinc/98/57/42/495985742.db2.gz MGKOHASDQKHDBJ-ZBFHGGJFSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000151898586 495985747 /nfs/dbraw/zinc/98/57/47/495985747.db2.gz MGKOHASDQKHDBJ-ZBFHGGJFSA-N 1 2 373.478 3.356 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000151932964 495996533 /nfs/dbraw/zinc/99/65/33/495996533.db2.gz WFBNZHXCUPTUJF-NVXWUHKLSA-N 1 2 373.840 3.331 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000151932964 495996537 /nfs/dbraw/zinc/99/65/37/495996537.db2.gz WFBNZHXCUPTUJF-NVXWUHKLSA-N 1 2 373.840 3.331 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000155594494 496006752 /nfs/dbraw/zinc/00/67/52/496006752.db2.gz ISQOBZLWNVDXEZ-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000155594494 496006755 /nfs/dbraw/zinc/00/67/55/496006755.db2.gz ISQOBZLWNVDXEZ-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO CN(C(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1)C1(C#N)CCCCC1 ZINC000180481231 496014935 /nfs/dbraw/zinc/01/49/35/496014935.db2.gz UBDROIISMMCULB-UHFFFAOYSA-N 1 2 353.388 3.221 20 30 FGEDLO CN(C(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1)C1(C#N)CCCCC1 ZINC000180481231 496014943 /nfs/dbraw/zinc/01/49/43/496014943.db2.gz UBDROIISMMCULB-UHFFFAOYSA-N 1 2 353.388 3.221 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000177347221 496026966 /nfs/dbraw/zinc/02/69/66/496026966.db2.gz XNSYUHYMUMUXEG-UHFFFAOYSA-N 1 2 365.462 3.238 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000177347221 496026970 /nfs/dbraw/zinc/02/69/70/496026970.db2.gz XNSYUHYMUMUXEG-UHFFFAOYSA-N 1 2 365.462 3.238 20 30 FGEDLO N#Cc1cccc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000177359489 496030141 /nfs/dbraw/zinc/03/01/41/496030141.db2.gz CZTNRXIWYNLBDK-UHFFFAOYSA-N 1 2 367.474 3.121 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)s1 ZINC000155675085 496032655 /nfs/dbraw/zinc/03/26/55/496032655.db2.gz KUIYQAMWARIMDW-UHFFFAOYSA-N 1 2 369.490 3.155 20 30 FGEDLO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000177414595 496052577 /nfs/dbraw/zinc/05/25/77/496052577.db2.gz OSUPLNAIMFYARU-CQSZACIVSA-N 1 2 371.462 3.065 20 30 FGEDLO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000177414595 496052583 /nfs/dbraw/zinc/05/25/83/496052583.db2.gz OSUPLNAIMFYARU-CQSZACIVSA-N 1 2 371.462 3.065 20 30 FGEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000183668627 496070409 /nfs/dbraw/zinc/07/04/09/496070409.db2.gz FVOFREOXBZORPX-UHFFFAOYSA-N 1 2 350.466 3.082 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000177468564 496074484 /nfs/dbraw/zinc/07/44/84/496074484.db2.gz FCYMNMJXQRXVDK-SFHVURJKSA-N 1 2 372.419 3.084 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485417 496080526 /nfs/dbraw/zinc/08/05/26/496080526.db2.gz HUCWWUJGAONVAW-FQEVSTJZSA-N 1 2 356.466 3.444 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646810 496145227 /nfs/dbraw/zinc/14/52/27/496145227.db2.gz UAPXEPGVWZGBJE-LJQANCHMSA-N 1 2 364.493 3.400 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646810 496145232 /nfs/dbraw/zinc/14/52/32/496145232.db2.gz UAPXEPGVWZGBJE-LJQANCHMSA-N 1 2 364.493 3.400 20 30 FGEDLO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000574678967 505829745 /nfs/dbraw/zinc/82/97/45/505829745.db2.gz ZYOLMVXMXLDKJF-SNVBAGLBSA-N 1 2 373.194 3.181 20 30 FGEDLO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000574678967 505829748 /nfs/dbraw/zinc/82/97/48/505829748.db2.gz ZYOLMVXMXLDKJF-SNVBAGLBSA-N 1 2 373.194 3.181 20 30 FGEDLO COc1ccc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)sc2c1 ZINC000186915821 496208648 /nfs/dbraw/zinc/20/86/48/496208648.db2.gz XGRMCUIRSHNBFP-UHFFFAOYSA-N 1 2 364.474 3.499 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156310217 496212708 /nfs/dbraw/zinc/21/27/08/496212708.db2.gz AOFNHFFVDAEVTG-GOSISDBHSA-N 1 2 353.422 3.009 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187014148 496252221 /nfs/dbraw/zinc/25/22/21/496252221.db2.gz QGFRDXVFEUQPPA-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187014148 496252224 /nfs/dbraw/zinc/25/22/24/496252224.db2.gz QGFRDXVFEUQPPA-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2C#N)c(OC)c1 ZINC000187023173 496255498 /nfs/dbraw/zinc/25/54/98/496255498.db2.gz SXWOXDWNALANTC-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2C#N)c(OC)c1 ZINC000187023173 496255504 /nfs/dbraw/zinc/25/55/04/496255504.db2.gz SXWOXDWNALANTC-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO CC(C)COC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccco1 ZINC000184157180 496262343 /nfs/dbraw/zinc/26/23/43/496262343.db2.gz DPQVUCQLGIBRLK-KRWDZBQOSA-N 1 2 361.486 3.268 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175169076 496275970 /nfs/dbraw/zinc/27/59/70/496275970.db2.gz LYOFYTQZJLJDIN-HXUWFJFHSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175169076 496275974 /nfs/dbraw/zinc/27/59/74/496275974.db2.gz LYOFYTQZJLJDIN-HXUWFJFHSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)s1 ZINC000153132722 496362434 /nfs/dbraw/zinc/36/24/34/496362434.db2.gz GNLFUUURNIVMHN-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000181437902 496396615 /nfs/dbraw/zinc/39/66/15/496396615.db2.gz YEDCWCWISUBQEW-GOSISDBHSA-N 1 2 371.282 3.227 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000184520084 496422325 /nfs/dbraw/zinc/42/23/25/496422325.db2.gz CPMAZUBFBYTQTL-RISCZKNCSA-N 1 2 359.451 3.006 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000157350445 496460180 /nfs/dbraw/zinc/46/01/80/496460180.db2.gz LNTOLLYXZDCAQO-LJQANCHMSA-N 1 2 369.852 3.281 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153467188 496465508 /nfs/dbraw/zinc/46/55/08/496465508.db2.gz FWSLGOHBGIBMFX-WMZOPIPTSA-N 1 2 354.454 3.241 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000178540176 496492687 /nfs/dbraw/zinc/49/26/87/496492687.db2.gz CRVJFJNPSOPZOM-UHFFFAOYSA-N 1 2 359.433 3.476 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(C)o1 ZINC000184739182 496513695 /nfs/dbraw/zinc/51/36/95/496513695.db2.gz YCGBVCSGAOPDIO-WMZOPIPTSA-N 1 2 355.438 3.201 20 30 FGEDLO COc1cccc2c1[nH+]c(NCc1cn(C)nc1-c1ccc(C#N)cc1)n2C ZINC000184792126 496534034 /nfs/dbraw/zinc/53/40/34/496534034.db2.gz YFWGJVZZRIGSMD-UHFFFAOYSA-N 1 2 372.432 3.466 20 30 FGEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000173102479 496549706 /nfs/dbraw/zinc/54/97/06/496549706.db2.gz DCTLERVXJVJHMM-UHFFFAOYSA-N 1 2 370.415 3.332 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187794726 496574718 /nfs/dbraw/zinc/57/47/18/496574718.db2.gz JVBHBQGYKRGYSA-QGZVFWFLSA-N 1 2 361.348 3.379 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000185231454 496711942 /nfs/dbraw/zinc/71/19/42/496711942.db2.gz ZMGFMISHDZYPAE-AWEZNQCLSA-N 1 2 359.474 3.111 20 30 FGEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@]34CCOC4)c2)c1 ZINC000195010807 496789671 /nfs/dbraw/zinc/78/96/71/496789671.db2.gz RYXIPXZLLNVROK-JOCHJYFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@]34CCOC4)c2)c1 ZINC000195010807 496789678 /nfs/dbraw/zinc/78/96/78/496789678.db2.gz RYXIPXZLLNVROK-JOCHJYFZSA-N 1 2 364.445 3.129 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264052839 496801062 /nfs/dbraw/zinc/80/10/62/496801062.db2.gz XTMJMVIFPFULLB-UHFFFAOYSA-N 1 2 374.444 3.286 20 30 FGEDLO COC(=O)C[N@H+](CCCSCC#N)Cc1cccc(Br)c1 ZINC000191614413 496832247 /nfs/dbraw/zinc/83/22/47/496832247.db2.gz BKZTVCJKSOCWQQ-UHFFFAOYSA-N 1 2 371.300 3.071 20 30 FGEDLO COC(=O)C[N@@H+](CCCSCC#N)Cc1cccc(Br)c1 ZINC000191614413 496832252 /nfs/dbraw/zinc/83/22/52/496832252.db2.gz BKZTVCJKSOCWQQ-UHFFFAOYSA-N 1 2 371.300 3.071 20 30 FGEDLO CC[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@H](C)C#N ZINC000191615613 496832992 /nfs/dbraw/zinc/83/29/92/496832992.db2.gz GIDUBKBOVUIIEE-CQSZACIVSA-N 1 2 366.303 3.267 20 30 FGEDLO CC[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@H](C)C#N ZINC000191615613 496832998 /nfs/dbraw/zinc/83/29/98/496832998.db2.gz GIDUBKBOVUIIEE-CQSZACIVSA-N 1 2 366.303 3.267 20 30 FGEDLO C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000188702208 496882477 /nfs/dbraw/zinc/88/24/77/496882477.db2.gz ZCKLGEDYRMNCGJ-JKSUJKDBSA-N 1 2 368.441 3.076 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273763429 496899158 /nfs/dbraw/zinc/89/91/58/496899158.db2.gz YKGKCNRBTPUDDN-CABCVRRESA-N 1 2 371.510 3.449 20 30 FGEDLO N#Cc1ccccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195415578 496917461 /nfs/dbraw/zinc/91/74/61/496917461.db2.gz HRAVRCLIAUBUTI-UHFFFAOYSA-N 1 2 353.429 3.300 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)cc1F ZINC000191919098 496931971 /nfs/dbraw/zinc/93/19/71/496931971.db2.gz WSDJPPKRASJKKV-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1F ZINC000191919098 496931978 /nfs/dbraw/zinc/93/19/78/496931978.db2.gz WSDJPPKRASJKKV-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO CC(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000189216597 497048502 /nfs/dbraw/zinc/04/85/02/497048502.db2.gz OFPIWMKAXBKYOW-UHFFFAOYSA-N 1 2 363.889 3.151 20 30 FGEDLO N#Cc1cnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c(Cl)c1 ZINC000265171402 497062884 /nfs/dbraw/zinc/06/28/84/497062884.db2.gz YOQVHBZPYKUSSA-UHFFFAOYSA-N 1 2 355.829 3.052 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000574919834 505883647 /nfs/dbraw/zinc/88/36/47/505883647.db2.gz NODPSUZDVNSNLB-CXAGYDPISA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC000574919834 505883652 /nfs/dbraw/zinc/88/36/52/505883652.db2.gz NODPSUZDVNSNLB-CXAGYDPISA-N 1 2 359.426 3.409 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000189410119 497110364 /nfs/dbraw/zinc/11/03/64/497110364.db2.gz RLPLQPHXQNCBKD-CYBMUJFWSA-N 1 2 373.378 3.370 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000189410119 497110370 /nfs/dbraw/zinc/11/03/70/497110370.db2.gz RLPLQPHXQNCBKD-CYBMUJFWSA-N 1 2 373.378 3.370 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192464891 497122759 /nfs/dbraw/zinc/12/27/59/497122759.db2.gz GNQLVXUUIRWBQR-UHFFFAOYSA-N 1 2 365.408 3.231 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000274653510 497138945 /nfs/dbraw/zinc/13/89/45/497138945.db2.gz LUZWVSNDWOXJFN-QMMMGPOBSA-N 1 2 361.081 3.385 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000274653510 497138952 /nfs/dbraw/zinc/13/89/52/497138952.db2.gz LUZWVSNDWOXJFN-QMMMGPOBSA-N 1 2 361.081 3.385 20 30 FGEDLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000274699314 497146743 /nfs/dbraw/zinc/14/67/43/497146743.db2.gz PMUPVDJXPLNJTG-MRXNPFEDSA-N 1 2 358.486 3.231 20 30 FGEDLO N#C[C@H](C(=O)C[NH+]1CCC2(CCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000265661751 497156646 /nfs/dbraw/zinc/15/66/46/497156646.db2.gz SANFRSQAFAZIGS-MRXNPFEDSA-N 1 2 364.449 3.168 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249717890 497235652 /nfs/dbraw/zinc/23/56/52/497235652.db2.gz KBRWFUCXSKVIDC-HOCLYGCPSA-N 1 2 356.495 3.441 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249717890 497235658 /nfs/dbraw/zinc/23/56/58/497235658.db2.gz KBRWFUCXSKVIDC-HOCLYGCPSA-N 1 2 356.495 3.441 20 30 FGEDLO COCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000249822390 497250931 /nfs/dbraw/zinc/25/09/31/497250931.db2.gz HLZPECNIJWOCKF-LEWJYISDSA-N 1 2 369.509 3.188 20 30 FGEDLO COCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 ZINC000249822390 497250936 /nfs/dbraw/zinc/25/09/36/497250936.db2.gz HLZPECNIJWOCKF-LEWJYISDSA-N 1 2 369.509 3.188 20 30 FGEDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000189865300 497272577 /nfs/dbraw/zinc/27/25/77/497272577.db2.gz TTXWRCUMTHSSPL-UHFFFAOYSA-N 1 2 372.300 3.159 20 30 FGEDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOCC(F)(F)C(F)(F)F ZINC000189865300 497272583 /nfs/dbraw/zinc/27/25/83/497272583.db2.gz TTXWRCUMTHSSPL-UHFFFAOYSA-N 1 2 372.300 3.159 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1C ZINC000252061048 497296023 /nfs/dbraw/zinc/29/60/23/497296023.db2.gz ZXCBQTWJDIGNIV-YQQAZPJKSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1C ZINC000252061048 497296029 /nfs/dbraw/zinc/29/60/29/497296029.db2.gz ZXCBQTWJDIGNIV-YQQAZPJKSA-N 1 2 361.511 3.376 20 30 FGEDLO C#CCOc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278996817 497296240 /nfs/dbraw/zinc/29/62/40/497296240.db2.gz RQOKOQWOKJBQTE-UHFFFAOYSA-N 1 2 363.461 3.251 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279156841 497351718 /nfs/dbraw/zinc/35/17/18/497351718.db2.gz DGCNXARLBZJNSB-UHFFFAOYSA-N 1 2 363.465 3.180 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245450814 497414464 /nfs/dbraw/zinc/41/44/64/497414464.db2.gz OYJYXYHXIMUVRB-POAQFYNOSA-N 1 2 357.498 3.073 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000245450814 497414470 /nfs/dbraw/zinc/41/44/70/497414470.db2.gz OYJYXYHXIMUVRB-POAQFYNOSA-N 1 2 357.498 3.073 20 30 FGEDLO C#CC[C@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1 ZINC000271753235 497438281 /nfs/dbraw/zinc/43/82/81/497438281.db2.gz YATAMCXOAQALSI-KRWDZBQOSA-N 1 2 368.458 3.476 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570441 497460737 /nfs/dbraw/zinc/46/07/37/497460737.db2.gz BCSGGQRWCMBXNY-SJLPKXTDSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245570441 497460741 /nfs/dbraw/zinc/46/07/41/497460741.db2.gz BCSGGQRWCMBXNY-SJLPKXTDSA-N 1 2 374.847 3.255 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000280161093 497667652 /nfs/dbraw/zinc/66/76/52/497667652.db2.gz BZNRCKQULIOZAR-WMZOPIPTSA-N 1 2 358.461 3.091 20 30 FGEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000272580879 497669840 /nfs/dbraw/zinc/66/98/40/497669840.db2.gz OIAVXLKLTISDFI-OAHLLOKOSA-N 1 2 367.371 3.316 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272591288 497673784 /nfs/dbraw/zinc/67/37/84/497673784.db2.gz PNVXIKXOZFDIGF-MRXNPFEDSA-N 1 2 370.497 3.121 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000268174876 497693096 /nfs/dbraw/zinc/69/30/96/497693096.db2.gz RJMDHSQXRRNDGW-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)c[nH+]1 ZINC000191282600 497768273 /nfs/dbraw/zinc/76/82/73/497768273.db2.gz LGNUOQYKHXBEBN-VQHVLOKHSA-N 1 2 356.470 3.455 20 30 FGEDLO N#CCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000272999820 497781569 /nfs/dbraw/zinc/78/15/69/497781569.db2.gz HFCWXYPMPRMQOW-HNNXBMFYSA-N 1 2 350.260 3.006 20 30 FGEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246616919 497789898 /nfs/dbraw/zinc/78/98/98/497789898.db2.gz VKASSYRKJKKMQL-DOMZBBRYSA-N 1 2 361.492 3.472 20 30 FGEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246616919 497789903 /nfs/dbraw/zinc/78/99/03/497789903.db2.gz VKASSYRKJKKMQL-DOMZBBRYSA-N 1 2 361.492 3.472 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329538616 497823928 /nfs/dbraw/zinc/82/39/28/497823928.db2.gz MMHUMJJRNYRFQK-HNNXBMFYSA-N 1 2 358.833 3.352 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1CCCCC12CCCC2 ZINC000329618614 497847543 /nfs/dbraw/zinc/84/75/43/497847543.db2.gz LYCVVZFDQZCWAM-GOSISDBHSA-N 1 2 372.513 3.425 20 30 FGEDLO O=C(NC[C@@]1(O)CCSC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329631589 497851171 /nfs/dbraw/zinc/85/11/71/497851171.db2.gz RNGPZNOTVDFPKU-IBGZPJMESA-N 1 2 372.494 3.080 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CCCCS1)C2 ZINC000329752120 497889814 /nfs/dbraw/zinc/88/98/14/497889814.db2.gz JHXGLINXLPBYPG-KBPBESRZSA-N 1 2 350.532 3.285 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CCCCS1)C2 ZINC000329752120 497889819 /nfs/dbraw/zinc/88/98/19/497889819.db2.gz JHXGLINXLPBYPG-KBPBESRZSA-N 1 2 350.532 3.285 20 30 FGEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1CCc3c([nH+]c(C(C)C)n3C)C1)C2 ZINC000329758286 497890986 /nfs/dbraw/zinc/89/09/86/497890986.db2.gz ZXGICDBMJTYWJK-INIZCTEOSA-N 1 2 368.481 3.128 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292156334 497903437 /nfs/dbraw/zinc/90/34/37/497903437.db2.gz KPVMIMDYNXMRIX-HIFRSBDPSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292156334 497903445 /nfs/dbraw/zinc/90/34/45/497903445.db2.gz KPVMIMDYNXMRIX-HIFRSBDPSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000329845012 497924121 /nfs/dbraw/zinc/92/41/21/497924121.db2.gz XWCFJCYISTWBQL-CYBMUJFWSA-N 1 2 357.479 3.167 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000329854352 497928391 /nfs/dbraw/zinc/92/83/91/497928391.db2.gz SOSYZCWZLAQSQV-HNNXBMFYSA-N 1 2 362.518 3.377 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)C2CC2)cc1 ZINC000329917277 497952029 /nfs/dbraw/zinc/95/20/29/497952029.db2.gz QTVIGHNDPURSJT-ORYQWCPZSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)C2CC2)cc1 ZINC000329917277 497952034 /nfs/dbraw/zinc/95/20/34/497952034.db2.gz QTVIGHNDPURSJT-ORYQWCPZSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC000329933121 497957537 /nfs/dbraw/zinc/95/75/37/497957537.db2.gz JCCHTDKDORURCD-JYJNAYRXSA-N 1 2 353.438 3.120 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC000329933121 497957542 /nfs/dbraw/zinc/95/75/42/497957542.db2.gz JCCHTDKDORURCD-JYJNAYRXSA-N 1 2 353.438 3.120 20 30 FGEDLO O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329953079 497966546 /nfs/dbraw/zinc/96/65/46/497966546.db2.gz NBUMBZBQWFBYIU-HUUCEWRRSA-N 1 2 356.426 3.003 20 30 FGEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329954487 497968283 /nfs/dbraw/zinc/96/82/83/497968283.db2.gz OLDSWRRODJPJOG-RDTXWAMCSA-N 1 2 366.531 3.421 20 30 FGEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000329954487 497968292 /nfs/dbraw/zinc/96/82/92/497968292.db2.gz OLDSWRRODJPJOG-RDTXWAMCSA-N 1 2 366.531 3.421 20 30 FGEDLO CCN1CCN(C(=O)NCc2c(C)oc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329960792 497971326 /nfs/dbraw/zinc/97/13/26/497971326.db2.gz ODABBIAYZJRVRG-QGZVFWFLSA-N 1 2 367.453 3.257 20 30 FGEDLO CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329967365 497973892 /nfs/dbraw/zinc/97/38/92/497973892.db2.gz WDZLBWXARZNYAX-OAHLLOKOSA-N 1 2 361.515 3.363 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCC2(C)C)on1 ZINC000329981802 497978592 /nfs/dbraw/zinc/97/85/92/497978592.db2.gz NZBIVWCKNGDOKP-ZOBUZTSGSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CCCC2(C)C)on1 ZINC000329981802 497978598 /nfs/dbraw/zinc/97/85/98/497978598.db2.gz NZBIVWCKNGDOKP-ZOBUZTSGSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)cc[nH+]1 ZINC000330023027 497995615 /nfs/dbraw/zinc/99/56/15/497995615.db2.gz IAZKWRHROCJOSO-SFHVURJKSA-N 1 2 369.444 3.038 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281039383 497996594 /nfs/dbraw/zinc/99/65/94/497996594.db2.gz NURSKYVXYUYKBZ-POAQFYNOSA-N 1 2 373.497 3.183 20 30 FGEDLO Cc1ccn2cc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[nH+]c2c1 ZINC000285200445 498019745 /nfs/dbraw/zinc/01/97/45/498019745.db2.gz UYHIRBJILRONSY-UHFFFAOYSA-N 1 2 350.397 3.248 20 30 FGEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000581346838 505966747 /nfs/dbraw/zinc/96/67/47/505966747.db2.gz NAXMTEOFPIGUGS-IBGZPJMESA-N 1 2 364.449 3.168 20 30 FGEDLO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000581346838 505966753 /nfs/dbraw/zinc/96/67/53/505966753.db2.gz NAXMTEOFPIGUGS-IBGZPJMESA-N 1 2 364.449 3.168 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000330131863 498032298 /nfs/dbraw/zinc/03/22/98/498032298.db2.gz PYZJCZJKFCNWIZ-MAODMQOUSA-N 1 2 358.482 3.364 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000330131863 498032303 /nfs/dbraw/zinc/03/23/03/498032303.db2.gz PYZJCZJKFCNWIZ-MAODMQOUSA-N 1 2 358.482 3.364 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330184786 498053043 /nfs/dbraw/zinc/05/30/43/498053043.db2.gz QXWJDFXWSDQQJC-AWEZNQCLSA-N 1 2 362.861 3.150 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)NCC1(CC#N)CC1)CC2 ZINC000330253336 498080396 /nfs/dbraw/zinc/08/03/96/498080396.db2.gz AMPCHOIGEXJLAX-HNNXBMFYSA-N 1 2 373.526 3.037 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)NCC1(CC#N)CC1)CC2 ZINC000330253336 498080402 /nfs/dbraw/zinc/08/04/02/498080402.db2.gz AMPCHOIGEXJLAX-HNNXBMFYSA-N 1 2 373.526 3.037 20 30 FGEDLO O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330274733 498089357 /nfs/dbraw/zinc/08/93/57/498089357.db2.gz KOOMWHJJVVOCBY-LKUPVBHCSA-N 1 2 371.456 3.315 20 30 FGEDLO O=C(N[C@@H]1CC=CCC1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000330322088 498103926 /nfs/dbraw/zinc/10/39/26/498103926.db2.gz GOTDLTXHXYGWJA-IAGOWNOFSA-N 1 2 356.470 3.158 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc3occ(C)c3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330325495 498105748 /nfs/dbraw/zinc/10/57/48/498105748.db2.gz JHXJYHXZVDMLDX-INIZCTEOSA-N 1 2 353.426 3.389 20 30 FGEDLO Cc1cc(NC(=O)c2cc3n(n2)CCCO3)c[nH+]c1N1CCCC[C@@H]1C ZINC000330346443 498112659 /nfs/dbraw/zinc/11/26/59/498112659.db2.gz GNTZLJLVHZNYDH-AWEZNQCLSA-N 1 2 355.442 3.384 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(OC)c1 ZINC000364764272 498133165 /nfs/dbraw/zinc/13/31/65/498133165.db2.gz SVGWAHJNKCTBRG-MRXNPFEDSA-N 1 2 355.438 3.279 20 30 FGEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330462545 498136422 /nfs/dbraw/zinc/13/64/22/498136422.db2.gz BPJAFYPLQWEHHO-UHFFFAOYSA-N 1 2 355.360 3.160 20 30 FGEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c(C)c1 ZINC000330462545 498136427 /nfs/dbraw/zinc/13/64/27/498136427.db2.gz BPJAFYPLQWEHHO-UHFFFAOYSA-N 1 2 355.360 3.160 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289551486 498190330 /nfs/dbraw/zinc/19/03/30/498190330.db2.gz NCENQQVAVIJBAI-RRQGHBQHSA-N 1 2 357.454 3.129 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289551486 498190338 /nfs/dbraw/zinc/19/03/38/498190338.db2.gz NCENQQVAVIJBAI-RRQGHBQHSA-N 1 2 357.454 3.129 20 30 FGEDLO Cc1cc(NC(=O)NCCC(=O)NC(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000330787213 498193718 /nfs/dbraw/zinc/19/37/18/498193718.db2.gz WTLIIKMOHAFODD-HNNXBMFYSA-N 1 2 361.490 3.009 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360036146 498237615 /nfs/dbraw/zinc/23/76/15/498237615.db2.gz LVQDGHAFQCBTHS-RDJZCZTQSA-N 1 2 354.454 3.363 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360036146 498237619 /nfs/dbraw/zinc/23/76/19/498237619.db2.gz LVQDGHAFQCBTHS-RDJZCZTQSA-N 1 2 354.454 3.363 20 30 FGEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000289690802 498249727 /nfs/dbraw/zinc/24/97/27/498249727.db2.gz IDHRHJCEQUGZRY-IONNQARKSA-N 1 2 365.065 3.115 20 30 FGEDLO N#CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281749465 498256783 /nfs/dbraw/zinc/25/67/83/498256783.db2.gz IPLFNNYGFJOFTF-INIZCTEOSA-N 1 2 364.449 3.142 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000301812603 498274570 /nfs/dbraw/zinc/27/45/70/498274570.db2.gz YMMQEZOASOGJCP-SJLPKXTDSA-N 1 2 351.454 3.142 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000301812603 498274577 /nfs/dbraw/zinc/27/45/77/498274577.db2.gz YMMQEZOASOGJCP-SJLPKXTDSA-N 1 2 351.454 3.142 20 30 FGEDLO CN(CCO)c1ccc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000286337901 498367654 /nfs/dbraw/zinc/36/76/54/498367654.db2.gz YSLFPGDFRKNEBR-UHFFFAOYSA-N 1 2 350.466 3.068 20 30 FGEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c2ccccc2)n1C ZINC000361283772 498369332 /nfs/dbraw/zinc/36/93/32/498369332.db2.gz IXMOWKTZBNIGKJ-MGPUTAFESA-N 1 2 361.449 3.294 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000286342449 498369994 /nfs/dbraw/zinc/36/99/94/498369994.db2.gz GMQQUHNBSYEQRC-OAHLLOKOSA-N 1 2 371.462 3.110 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000286342449 498370000 /nfs/dbraw/zinc/37/00/00/498370000.db2.gz GMQQUHNBSYEQRC-OAHLLOKOSA-N 1 2 371.462 3.110 20 30 FGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000293404115 498372322 /nfs/dbraw/zinc/37/23/22/498372322.db2.gz HSMDRHNJUZAYQW-QWHCGFSZSA-N 1 2 352.265 3.443 20 30 FGEDLO COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263084 498379383 /nfs/dbraw/zinc/37/93/83/498379383.db2.gz UMDQKUNVKWLIHZ-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(Cl)c(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263084 498379390 /nfs/dbraw/zinc/37/93/90/498379390.db2.gz UMDQKUNVKWLIHZ-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@H]2C)c1C#N ZINC000331589581 498384658 /nfs/dbraw/zinc/38/46/58/498384658.db2.gz KHWPBSJQWBJITQ-CYBMUJFWSA-N 1 2 360.527 3.468 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@H]2C)c1C#N ZINC000331589581 498384665 /nfs/dbraw/zinc/38/46/65/498384665.db2.gz KHWPBSJQWBJITQ-CYBMUJFWSA-N 1 2 360.527 3.468 20 30 FGEDLO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1Cl)CCC2 ZINC000365428413 498462118 /nfs/dbraw/zinc/46/21/18/498462118.db2.gz NEFCRHSYBKVMJI-MRXNPFEDSA-N 1 2 362.836 3.361 20 30 FGEDLO Cc1nsc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C#N ZINC000297532750 498483959 /nfs/dbraw/zinc/48/39/59/498483959.db2.gz XXRUVOJJASXKNN-UHFFFAOYSA-N 1 2 370.482 3.268 20 30 FGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282378865 498487509 /nfs/dbraw/zinc/48/75/09/498487509.db2.gz CSINUMLGFGDJHY-CQSZACIVSA-N 1 2 367.371 3.312 20 30 FGEDLO Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(-c2cccnc2)[nH+]1 ZINC000362303636 498490710 /nfs/dbraw/zinc/49/07/10/498490710.db2.gz BVICNSLZQOZHAF-UHFFFAOYSA-N 1 2 367.416 3.143 20 30 FGEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000282447467 498516422 /nfs/dbraw/zinc/51/64/22/498516422.db2.gz ZZRZLKTYRROWCF-CABCVRRESA-N 1 2 360.531 3.317 20 30 FGEDLO Cc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C#N)cc1N(C)C ZINC000332014698 498532460 /nfs/dbraw/zinc/53/24/60/498532460.db2.gz GFDNELZVVNYUBO-MRXNPFEDSA-N 1 2 352.442 3.415 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000332100160 498560781 /nfs/dbraw/zinc/56/07/81/498560781.db2.gz DTWCAYQOVPCXNR-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO CC(C)c1nc(N2CCN(c3ncccc3C#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302782356 498572221 /nfs/dbraw/zinc/57/22/21/498572221.db2.gz SQKWHVNVYTZNSO-UHFFFAOYSA-N 1 2 364.497 3.491 20 30 FGEDLO N#Cc1ccc2nc(N3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)ccc2c1 ZINC000302799661 498580570 /nfs/dbraw/zinc/58/05/70/498580570.db2.gz SDCZJKUASITVTH-UHFFFAOYSA-N 1 2 368.444 3.305 20 30 FGEDLO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)ccc1C#N ZINC000332158638 498583913 /nfs/dbraw/zinc/58/39/13/498583913.db2.gz YFEWMCMPZPVNBZ-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098900 498588307 /nfs/dbraw/zinc/58/83/07/498588307.db2.gz MHCHACGYYCBOQZ-WDEREUQCSA-N 1 2 350.216 3.408 20 30 FGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098900 498588312 /nfs/dbraw/zinc/58/83/12/498588312.db2.gz MHCHACGYYCBOQZ-WDEREUQCSA-N 1 2 350.216 3.408 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000362957026 498589587 /nfs/dbraw/zinc/58/95/87/498589587.db2.gz BORCEAFRVUCWGS-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO Cc1cc2sc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)nc2cc1F ZINC000332225533 498609861 /nfs/dbraw/zinc/60/98/61/498609861.db2.gz YZXJXXDMGPQLHC-UHFFFAOYSA-N 1 2 361.446 3.196 20 30 FGEDLO C=C(CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000287150724 498649282 /nfs/dbraw/zinc/64/92/82/498649282.db2.gz PTDGQJBOPZGKOP-UHFFFAOYSA-N 1 2 352.438 3.062 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000298214347 498695828 /nfs/dbraw/zinc/69/58/28/498695828.db2.gz VAKJEGLSPVDXPS-LWCVALJOSA-N 1 2 363.465 3.493 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303645198 498700562 /nfs/dbraw/zinc/70/05/62/498700562.db2.gz ILKAWMWKJAHELR-NRFANRHFSA-N 1 2 358.445 3.438 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303645198 498700567 /nfs/dbraw/zinc/70/05/67/498700567.db2.gz ILKAWMWKJAHELR-NRFANRHFSA-N 1 2 358.445 3.438 20 30 FGEDLO CN(C(=O)Nc1ccc(F)cc1C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000365931719 498703215 /nfs/dbraw/zinc/70/32/15/498703215.db2.gz PBAAMBINUASKQU-UHFFFAOYSA-N 1 2 353.401 3.225 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccc(Cl)cc3)CC1)CCOC2 ZINC000581865420 506077667 /nfs/dbraw/zinc/07/76/67/506077667.db2.gz XDVWUBHHORVQBW-UHFFFAOYSA-N 1 2 368.868 3.002 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282939546 498717476 /nfs/dbraw/zinc/71/74/76/498717476.db2.gz ZSIDAUDSOQJTGK-XNQWGTPPSA-N 1 2 366.465 3.220 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334582 498720573 /nfs/dbraw/zinc/72/05/73/498720573.db2.gz KQPPVGTUUTXTFD-FGTMMUONSA-N 1 2 368.437 3.053 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334582 498720580 /nfs/dbraw/zinc/72/05/80/498720580.db2.gz KQPPVGTUUTXTFD-FGTMMUONSA-N 1 2 368.437 3.053 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000366093045 498771847 /nfs/dbraw/zinc/77/18/47/498771847.db2.gz NVILQNDCEFYCEU-WIYYLYMNSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000366093045 498771852 /nfs/dbraw/zinc/77/18/52/498771852.db2.gz NVILQNDCEFYCEU-WIYYLYMNSA-N 1 2 361.530 3.198 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000366097723 498774293 /nfs/dbraw/zinc/77/42/93/498774293.db2.gz RMMUSFJLEVBPAM-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000366097723 498774299 /nfs/dbraw/zinc/77/42/99/498774299.db2.gz RMMUSFJLEVBPAM-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1ccnc(Oc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2C)c1 ZINC000572993359 506095218 /nfs/dbraw/zinc/09/52/18/506095218.db2.gz ZUBUVPAWOANSLK-GOSISDBHSA-N 1 2 354.454 3.109 20 30 FGEDLO Cc1ccnc(Oc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2C)c1 ZINC000572993359 506095220 /nfs/dbraw/zinc/09/52/20/506095220.db2.gz ZUBUVPAWOANSLK-GOSISDBHSA-N 1 2 354.454 3.109 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000363397849 498799488 /nfs/dbraw/zinc/79/94/88/498799488.db2.gz XFBQLRFYGLBLEW-YADHBBJMSA-N 1 2 364.493 3.466 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000363397849 498799491 /nfs/dbraw/zinc/79/94/91/498799491.db2.gz XFBQLRFYGLBLEW-YADHBBJMSA-N 1 2 364.493 3.466 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC000298677492 498846445 /nfs/dbraw/zinc/84/64/45/498846445.db2.gz URVMJABORSIGSB-HNNXBMFYSA-N 1 2 351.454 3.360 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000570142663 506100284 /nfs/dbraw/zinc/10/02/84/506100284.db2.gz IYIDPMQUQNHDLK-CQSZACIVSA-N 1 2 374.444 3.406 20 30 FGEDLO C[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328600113 498870500 /nfs/dbraw/zinc/87/05/00/498870500.db2.gz CTOWPNLQVOQHHJ-HZPDHXFCSA-N 1 2 353.470 3.015 20 30 FGEDLO CC1(C)CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328600632 498871567 /nfs/dbraw/zinc/87/15/67/498871567.db2.gz DDCPKQZGKVVWGS-VWXURSGXSA-N 1 2 372.513 3.344 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CCC2 ZINC000328646361 498888813 /nfs/dbraw/zinc/88/88/13/498888813.db2.gz AZESQKUCDNSSAG-LBPRGKRZSA-N 1 2 354.385 3.467 20 30 FGEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328709467 498910439 /nfs/dbraw/zinc/91/04/39/498910439.db2.gz FXNPNKABGAIJOU-HNNXBMFYSA-N 1 2 372.513 3.461 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)Cc1cn3ccccc3[nH+]1)C2 ZINC000328713832 498911419 /nfs/dbraw/zinc/91/14/19/498911419.db2.gz CUNFRQWKCQSCKC-AWEZNQCLSA-N 1 2 351.454 3.342 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363642045 498920315 /nfs/dbraw/zinc/92/03/15/498920315.db2.gz VMCHSFAYHLVZGX-MRXNPFEDSA-N 1 2 365.437 3.014 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000363650019 498924849 /nfs/dbraw/zinc/92/48/49/498924849.db2.gz BSZHHYUTABSGPR-UHFFFAOYSA-N 1 2 358.492 3.210 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328757565 498927764 /nfs/dbraw/zinc/92/77/64/498927764.db2.gz VAVQEOLELLXFKJ-ZDUSSCGKSA-N 1 2 361.833 3.033 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@@H](C)Cc1ccc(O)cc1)CCC2 ZINC000328774877 498933624 /nfs/dbraw/zinc/93/36/24/498933624.db2.gz SDGIAKZDYVQJIC-RDJZCZTQSA-N 1 2 356.470 3.252 20 30 FGEDLO CC(=O)N1CCSc2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc21 ZINC000363724829 498962170 /nfs/dbraw/zinc/96/21/70/498962170.db2.gz RBKUUHJBGFTSKE-UHFFFAOYSA-N 1 2 363.446 3.277 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000328861207 498964647 /nfs/dbraw/zinc/96/46/47/498964647.db2.gz ZGJVBVCIKOQEKB-JKSUJKDBSA-N 1 2 364.515 3.318 20 30 FGEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1nc(C2CCCCC2)no1 ZINC000328870469 498968913 /nfs/dbraw/zinc/96/89/13/498968913.db2.gz PORKGJBWUNWAMH-ZFWWWQNUSA-N 1 2 372.473 3.315 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000366546565 498974338 /nfs/dbraw/zinc/97/43/38/498974338.db2.gz VHTNUTHAIPSKLW-LLVKDONJSA-N 1 2 354.357 3.082 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)nc1 ZINC000366546565 498974345 /nfs/dbraw/zinc/97/43/45/498974345.db2.gz VHTNUTHAIPSKLW-LLVKDONJSA-N 1 2 354.357 3.082 20 30 FGEDLO CO[C@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000328902730 498978838 /nfs/dbraw/zinc/97/88/38/498978838.db2.gz GYHYVXDKIGESGN-HIFRSBDPSA-N 1 2 352.504 3.031 20 30 FGEDLO CO[C@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000328902730 498978843 /nfs/dbraw/zinc/97/88/43/498978843.db2.gz GYHYVXDKIGESGN-HIFRSBDPSA-N 1 2 352.504 3.031 20 30 FGEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000328930782 498990014 /nfs/dbraw/zinc/99/00/14/498990014.db2.gz AVYIAJIDYLUFIC-GJZGRUSLSA-N 1 2 364.515 3.141 20 30 FGEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000328930782 498990021 /nfs/dbraw/zinc/99/00/21/498990021.db2.gz AVYIAJIDYLUFIC-GJZGRUSLSA-N 1 2 364.515 3.141 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000363829584 499015418 /nfs/dbraw/zinc/01/54/18/499015418.db2.gz ZMGIVFAJALMIDS-RTBURBONSA-N 1 2 359.433 3.316 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329025405 499019061 /nfs/dbraw/zinc/01/90/61/499019061.db2.gz JKUXZWNYOXCECG-CMPLNLGQSA-N 1 2 361.833 3.461 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329025405 499019066 /nfs/dbraw/zinc/01/90/66/499019066.db2.gz JKUXZWNYOXCECG-CMPLNLGQSA-N 1 2 361.833 3.461 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329272014 499088430 /nfs/dbraw/zinc/08/84/30/499088430.db2.gz IIZGWVGNJFVUDD-KBAYOESNSA-N 1 2 352.519 3.428 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329272014 499088438 /nfs/dbraw/zinc/08/84/38/499088438.db2.gz IIZGWVGNJFVUDD-KBAYOESNSA-N 1 2 352.519 3.428 20 30 FGEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC(OCC2CCCC2)CC1 ZINC000329277890 499089902 /nfs/dbraw/zinc/08/99/02/499089902.db2.gz CQXVMPZGKMAIBW-UHFFFAOYSA-N 1 2 356.470 3.420 20 30 FGEDLO N#Cc1c(F)ccc(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)c1Cl ZINC000366840088 499090366 /nfs/dbraw/zinc/09/03/66/499090366.db2.gz IIGWHUZTFVPHDG-UHFFFAOYSA-N 1 2 360.820 3.073 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCOCC3)n2)C1 ZINC000329290130 499091629 /nfs/dbraw/zinc/09/16/29/499091629.db2.gz QMZKAWBNVICPNC-KGLIPLIRSA-N 1 2 352.504 3.270 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCOCC3)n2)C1 ZINC000329290130 499091636 /nfs/dbraw/zinc/09/16/36/499091636.db2.gz QMZKAWBNVICPNC-KGLIPLIRSA-N 1 2 352.504 3.270 20 30 FGEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329344121 499104325 /nfs/dbraw/zinc/10/43/25/499104325.db2.gz UBLIDSVMPLULGB-CVEARBPZSA-N 1 2 351.491 3.122 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329363014 499108269 /nfs/dbraw/zinc/10/82/69/499108269.db2.gz DBFJNHZBTBJUIA-INIZCTEOSA-N 1 2 359.470 3.349 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329363014 499108270 /nfs/dbraw/zinc/10/82/70/499108270.db2.gz DBFJNHZBTBJUIA-INIZCTEOSA-N 1 2 359.470 3.349 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCC1CCSCC1)C2 ZINC000329375289 499111110 /nfs/dbraw/zinc/11/11/10/499111110.db2.gz KTMNRNGAEZDCHZ-CQSZACIVSA-N 1 2 350.532 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]CC1CCSCC1)C2 ZINC000329375289 499111114 /nfs/dbraw/zinc/11/11/14/499111114.db2.gz KTMNRNGAEZDCHZ-CQSZACIVSA-N 1 2 350.532 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCC1CCSCC1)C2 ZINC000329375287 499111698 /nfs/dbraw/zinc/11/16/98/499111698.db2.gz KTMNRNGAEZDCHZ-AWEZNQCLSA-N 1 2 350.532 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]CC1CCSCC1)C2 ZINC000329375287 499111702 /nfs/dbraw/zinc/11/17/02/499111702.db2.gz KTMNRNGAEZDCHZ-AWEZNQCLSA-N 1 2 350.532 3.142 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C)[C@H]3C)n2)C1 ZINC000329429665 499120660 /nfs/dbraw/zinc/12/06/60/499120660.db2.gz JWRUWZGRBGGHTH-MCIONIFRSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C)[C@H]3C)n2)C1 ZINC000329429665 499120662 /nfs/dbraw/zinc/12/06/62/499120662.db2.gz JWRUWZGRBGGHTH-MCIONIFRSA-N 1 2 352.504 3.030 20 30 FGEDLO O=C(Nc1nc(C2CCOCC2)cs1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329460535 499124548 /nfs/dbraw/zinc/12/45/48/499124548.db2.gz SEFAEHWJQQNWQH-UHFFFAOYSA-N 1 2 361.471 3.185 20 30 FGEDLO O=C(Nc1nc(C2CCOCC2)cs1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329460535 499124551 /nfs/dbraw/zinc/12/45/51/499124551.db2.gz SEFAEHWJQQNWQH-UHFFFAOYSA-N 1 2 361.471 3.185 20 30 FGEDLO O=C(NCC1(c2ccncc2)CCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534489 499129499 /nfs/dbraw/zinc/12/94/99/499129499.db2.gz KWUKNBCBBWFDQY-IBGZPJMESA-N 1 2 357.498 3.493 20 30 FGEDLO O=C(NCC1(c2ccncc2)CCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329534489 499129500 /nfs/dbraw/zinc/12/95/00/499129500.db2.gz KWUKNBCBBWFDQY-IBGZPJMESA-N 1 2 357.498 3.493 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000370039271 499169616 /nfs/dbraw/zinc/16/96/16/499169616.db2.gz ADPXXFHIHVJPCJ-SFHVURJKSA-N 1 2 355.401 3.280 20 30 FGEDLO CCCC(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000370206567 499197337 /nfs/dbraw/zinc/19/73/37/499197337.db2.gz ODWCRRSDPKTXEG-UHFFFAOYSA-N 1 2 352.400 3.391 20 30 FGEDLO CCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000370206567 499197338 /nfs/dbraw/zinc/19/73/38/499197338.db2.gz ODWCRRSDPKTXEG-UHFFFAOYSA-N 1 2 352.400 3.391 20 30 FGEDLO C=CCc1cc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)cc(OC)c1O ZINC000370299075 499207125 /nfs/dbraw/zinc/20/71/25/499207125.db2.gz RSJOUGPURPFPQQ-GOSISDBHSA-N 1 2 373.453 3.078 20 30 FGEDLO COc1ccc([C@@H](CCO)[NH2+]Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000370364740 499213357 /nfs/dbraw/zinc/21/33/57/499213357.db2.gz BVJBUJLBPIWRTH-LJQANCHMSA-N 1 2 363.417 3.435 20 30 FGEDLO C#CC[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000370372669 499214010 /nfs/dbraw/zinc/21/40/10/499214010.db2.gz BZRYYQYLQZLVOO-QGZVFWFLSA-N 1 2 369.375 3.118 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368068293 499261205 /nfs/dbraw/zinc/26/12/05/499261205.db2.gz HKJNWLCXAQEELC-QWHCGFSZSA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368068293 499261207 /nfs/dbraw/zinc/26/12/07/499261207.db2.gz HKJNWLCXAQEELC-QWHCGFSZSA-N 1 2 355.467 3.483 20 30 FGEDLO N#CCCn1cc(CNc2[nH]c(C(F)(F)F)c[nH+]2)c(-c2ccccc2)n1 ZINC000368184338 499272360 /nfs/dbraw/zinc/27/23/60/499272360.db2.gz LTDXZBCKFJBASO-UHFFFAOYSA-N 1 2 360.343 3.240 20 30 FGEDLO C=C[C@H](CC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1)c1ccccc1 ZINC000371306751 499308507 /nfs/dbraw/zinc/30/85/07/499308507.db2.gz XQOIZJRUVAFHLF-QGZVFWFLSA-N 1 2 350.466 3.230 20 30 FGEDLO C=CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568750 499308630 /nfs/dbraw/zinc/30/86/30/499308630.db2.gz SBENQQXBFVYHOA-GOEBONIOSA-N 1 2 353.459 3.103 20 30 FGEDLO C=CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568750 499308631 /nfs/dbraw/zinc/30/86/31/499308631.db2.gz SBENQQXBFVYHOA-GOEBONIOSA-N 1 2 353.459 3.103 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000371365912 499315875 /nfs/dbraw/zinc/31/58/75/499315875.db2.gz WEXRHDOGTDZGJN-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000371365912 499315877 /nfs/dbraw/zinc/31/58/77/499315877.db2.gz WEXRHDOGTDZGJN-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000371367792 499315930 /nfs/dbraw/zinc/31/59/30/499315930.db2.gz BLYBBTTXQRUPRT-PKOBYXMFSA-N 1 2 350.466 3.149 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368824642 499336889 /nfs/dbraw/zinc/33/68/89/499336889.db2.gz QQZKVIYVHUVJOE-UHFFFAOYSA-N 1 2 365.412 3.304 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123619 499367817 /nfs/dbraw/zinc/36/78/17/499367817.db2.gz DBTLDUWXYBBDNT-XMSQKQJNSA-N 1 2 364.493 3.419 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123619 499367819 /nfs/dbraw/zinc/36/78/19/499367819.db2.gz DBTLDUWXYBBDNT-XMSQKQJNSA-N 1 2 364.493 3.419 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCCOC2)O1 ZINC000369556503 499417161 /nfs/dbraw/zinc/41/71/61/499417161.db2.gz MSXRGBIUTNJOSH-SUMWQHHRSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCCOC2)O1 ZINC000369556503 499417163 /nfs/dbraw/zinc/41/71/63/499417163.db2.gz MSXRGBIUTNJOSH-SUMWQHHRSA-N 1 2 365.271 3.091 20 30 FGEDLO CCN(C(=O)/C=C/c1cccc(C#N)c1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000373101293 499451430 /nfs/dbraw/zinc/45/14/30/499451430.db2.gz WOXCIAUXOIMDQU-GLCJEOIMSA-N 1 2 371.444 3.338 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CCS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000373377212 499466237 /nfs/dbraw/zinc/46/62/37/499466237.db2.gz MJCQLRBBHPVZRB-UHFFFAOYSA-N 1 2 366.486 3.262 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CCS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000373377212 499466238 /nfs/dbraw/zinc/46/62/38/499466238.db2.gz MJCQLRBBHPVZRB-UHFFFAOYSA-N 1 2 366.486 3.262 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1OC ZINC000373752389 499486416 /nfs/dbraw/zinc/48/64/16/499486416.db2.gz WMQBXROOEALJDC-ZWKOTPCHSA-N 1 2 359.466 3.220 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1OC ZINC000373752389 499486417 /nfs/dbraw/zinc/48/64/17/499486417.db2.gz WMQBXROOEALJDC-ZWKOTPCHSA-N 1 2 359.466 3.220 20 30 FGEDLO O=C1C/C(=C\c2[nH+]ccn2CC(F)(F)F)C(=O)c2cc(F)ccc2N1 ZINC000375401050 499514379 /nfs/dbraw/zinc/51/43/79/499514379.db2.gz FYDVRICTRULNBQ-WEVVVXLNSA-N 1 2 353.275 3.193 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375731858 499549560 /nfs/dbraw/zinc/54/95/60/499549560.db2.gz PGNLIIMWYYDNTJ-LSDHHAIUSA-N 1 2 353.426 3.122 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3c3nccs3)C2=O)cc1 ZINC000375831867 499560288 /nfs/dbraw/zinc/56/02/88/499560288.db2.gz PBCBSFJVOOQQCE-IAGOWNOFSA-N 1 2 352.463 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3c3nccs3)C2=O)cc1 ZINC000375831867 499560290 /nfs/dbraw/zinc/56/02/90/499560290.db2.gz PBCBSFJVOOQQCE-IAGOWNOFSA-N 1 2 352.463 3.347 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ncc(C#N)cc1Cl)CCCC2 ZINC000408037842 499574787 /nfs/dbraw/zinc/57/47/87/499574787.db2.gz IGSBKDLXMOOGHQ-MRXNPFEDSA-N 1 2 369.856 3.196 20 30 FGEDLO N#CC1(NC(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCSCC1 ZINC000376179114 499589130 /nfs/dbraw/zinc/58/91/30/499589130.db2.gz XMRTVAGIQDKGBN-INIZCTEOSA-N 1 2 366.490 3.018 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000410343307 499656293 /nfs/dbraw/zinc/65/62/93/499656293.db2.gz CAONSMNWNBTMEF-IBGZPJMESA-N 1 2 371.525 3.474 20 30 FGEDLO N#Cc1cccc(C#N)c1N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000377159193 499666683 /nfs/dbraw/zinc/66/66/83/499666683.db2.gz PMOQCKWLGOIAFZ-GOSISDBHSA-N 1 2 359.433 3.083 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]n1 ZINC000377844194 499741554 /nfs/dbraw/zinc/74/15/54/499741554.db2.gz KNIWUKYFDNLKCL-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]n1 ZINC000377844194 499741556 /nfs/dbraw/zinc/74/15/56/499741556.db2.gz KNIWUKYFDNLKCL-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n[nH]1 ZINC000377844194 499741558 /nfs/dbraw/zinc/74/15/58/499741558.db2.gz KNIWUKYFDNLKCL-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n[nH]1 ZINC000377844194 499741559 /nfs/dbraw/zinc/74/15/59/499741559.db2.gz KNIWUKYFDNLKCL-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000411515257 499750187 /nfs/dbraw/zinc/75/01/87/499750187.db2.gz VFFNYLINSCULNA-CVEARBPZSA-N 1 2 373.478 3.322 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000378002726 499754647 /nfs/dbraw/zinc/75/46/47/499754647.db2.gz YCWODMDYHKHSRJ-HXUWFJFHSA-N 1 2 370.884 3.352 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000378002726 499754648 /nfs/dbraw/zinc/75/46/48/499754648.db2.gz YCWODMDYHKHSRJ-HXUWFJFHSA-N 1 2 370.884 3.352 20 30 FGEDLO CCc1ncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000414450097 499793782 /nfs/dbraw/zinc/79/37/82/499793782.db2.gz WARWBLITMJUNIF-SFHVURJKSA-N 1 2 355.873 3.075 20 30 FGEDLO COc1cc(Cl)c(C)cc1NC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000425239386 500053552 /nfs/dbraw/zinc/05/35/52/500053552.db2.gz WNVCWXAXPUOTRK-UHFFFAOYSA-N 1 2 358.829 3.095 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1C#N ZINC000421918242 500175569 /nfs/dbraw/zinc/17/55/69/500175569.db2.gz KULGSJIVAMZWDB-UHFFFAOYSA-N 1 2 352.463 3.494 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C/c3ccccc3F)CC2)cc1 ZINC000426068877 500232621 /nfs/dbraw/zinc/23/26/21/500232621.db2.gz ZUWGHCROGCRQNP-HWKANZROSA-N 1 2 363.436 3.445 20 30 FGEDLO N#Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000426140114 500240572 /nfs/dbraw/zinc/24/05/72/500240572.db2.gz QLTZZJXMDGZZBF-UHFFFAOYSA-N 1 2 355.829 3.397 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000426374956 500266255 /nfs/dbraw/zinc/26/62/55/500266255.db2.gz ZAZFURWDTRMFCR-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000426374956 500266256 /nfs/dbraw/zinc/26/62/56/500266256.db2.gz ZAZFURWDTRMFCR-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 ZINC000430875917 500300452 /nfs/dbraw/zinc/30/04/52/500300452.db2.gz BNZPTMZNWLSHLI-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cn2c1 ZINC000419418079 500363507 /nfs/dbraw/zinc/36/35/07/500363507.db2.gz BCRYVHKPHYJDSM-IBGZPJMESA-N 1 2 359.433 3.391 20 30 FGEDLO Cc1cc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc(C)[nH+]1 ZINC000420846401 500514682 /nfs/dbraw/zinc/51/46/82/500514682.db2.gz IZGFSSPSNDRNJJ-UHFFFAOYSA-N 1 2 364.449 3.323 20 30 FGEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000424547120 500515208 /nfs/dbraw/zinc/51/52/08/500515208.db2.gz UBWVFMOFUIRTJI-UHFFFAOYSA-N 1 2 354.498 3.198 20 30 FGEDLO C=C(C)C(C)(C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000424547120 500515210 /nfs/dbraw/zinc/51/52/10/500515210.db2.gz UBWVFMOFUIRTJI-UHFFFAOYSA-N 1 2 354.498 3.198 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC000424642661 500534620 /nfs/dbraw/zinc/53/46/20/500534620.db2.gz KMJXJXGIFRQKSV-SFHVURJKSA-N 1 2 372.509 3.273 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433350459 500678003 /nfs/dbraw/zinc/67/80/03/500678003.db2.gz FQUKKZXLVZDPMA-UYAOXDASSA-N 1 2 362.477 3.059 20 30 FGEDLO CC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1[nH]cc[nH+]1 ZINC000443131320 500685434 /nfs/dbraw/zinc/68/54/34/500685434.db2.gz OTUDSYURAKCBSW-MRXNPFEDSA-N 1 2 350.378 3.334 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCCNc1cccc[nH+]1 ZINC000439100542 500856059 /nfs/dbraw/zinc/85/60/59/500856059.db2.gz OCTWXWKCWNRKQO-UHFFFAOYSA-N 1 2 357.339 3.255 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000439096929 500856098 /nfs/dbraw/zinc/85/60/98/500856098.db2.gz DXHHRCTYUHWZQU-CYBMUJFWSA-N 1 2 351.410 3.068 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000439151331 500864516 /nfs/dbraw/zinc/86/45/16/500864516.db2.gz FTJQACDVSMKXMZ-UHFFFAOYSA-N 1 2 359.355 3.410 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434665372 500875634 /nfs/dbraw/zinc/87/56/34/500875634.db2.gz MBZNJIAXZQURAP-BTYIYWSLSA-N 1 2 373.472 3.163 20 30 FGEDLO COc1cc(F)cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449007463 500893782 /nfs/dbraw/zinc/89/37/82/500893782.db2.gz DHCHRBZKTWTOBF-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COc1cc(F)cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449007463 500893785 /nfs/dbraw/zinc/89/37/85/500893785.db2.gz DHCHRBZKTWTOBF-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCOc1ccccc1C#N ZINC000434792114 500895804 /nfs/dbraw/zinc/89/58/04/500895804.db2.gz GDSITARGVVPWQI-OALUTQOASA-N 1 2 350.418 3.316 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCOc1ccccc1C#N ZINC000434792114 500895806 /nfs/dbraw/zinc/89/58/06/500895806.db2.gz GDSITARGVVPWQI-OALUTQOASA-N 1 2 350.418 3.316 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000444769890 500895988 /nfs/dbraw/zinc/89/59/88/500895988.db2.gz XZZRETJWZQAEPZ-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)[nH]1 ZINC000435336392 500956958 /nfs/dbraw/zinc/95/69/58/500956958.db2.gz PVCFGDFMNMAVBU-UHFFFAOYSA-N 1 2 353.813 3.079 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C1=O ZINC000449303380 500971292 /nfs/dbraw/zinc/97/12/92/500971292.db2.gz LXDRWLJEKZYQLK-GOSISDBHSA-N 1 2 355.507 3.147 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C1=O ZINC000449303380 500971296 /nfs/dbraw/zinc/97/12/96/500971296.db2.gz LXDRWLJEKZYQLK-GOSISDBHSA-N 1 2 355.507 3.147 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC000435561307 500992874 /nfs/dbraw/zinc/99/28/74/500992874.db2.gz SPEMDHODAUJUQI-UHFFFAOYSA-N 1 2 353.426 3.128 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000440474437 501012573 /nfs/dbraw/zinc/01/25/73/501012573.db2.gz AYUXTWZNLBSTJL-IBGZPJMESA-N 1 2 363.465 3.099 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000440474437 501012576 /nfs/dbraw/zinc/01/25/76/501012576.db2.gz AYUXTWZNLBSTJL-IBGZPJMESA-N 1 2 363.465 3.099 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1Cl ZINC000449527883 501025752 /nfs/dbraw/zinc/02/57/52/501025752.db2.gz LRYUYPJQNUADQW-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1Cl ZINC000449527883 501025754 /nfs/dbraw/zinc/02/57/54/501025754.db2.gz LRYUYPJQNUADQW-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1OC ZINC000449573735 501036013 /nfs/dbraw/zinc/03/60/13/501036013.db2.gz TWYNHIWRLVTTLH-XMMPIXPASA-N 1 2 351.512 3.383 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)ccc1OC ZINC000449573735 501036017 /nfs/dbraw/zinc/03/60/17/501036017.db2.gz TWYNHIWRLVTTLH-XMMPIXPASA-N 1 2 351.512 3.383 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N4CC(C)(C#N)C4)c3)cn2c1 ZINC000435930856 501048289 /nfs/dbraw/zinc/04/82/89/501048289.db2.gz QAMZNJNDZHOFPF-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO COCC[N@H+](Cc1cccs1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441264381 501110560 /nfs/dbraw/zinc/11/05/60/501110560.db2.gz QNPNBCAGFKBULO-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COCC[N@@H+](Cc1cccs1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441264381 501110562 /nfs/dbraw/zinc/11/05/62/501110562.db2.gz QNPNBCAGFKBULO-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450410490 501114611 /nfs/dbraw/zinc/11/46/11/501114611.db2.gz VUVZFNGCSZZVBS-SJLPKXTDSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450410490 501114615 /nfs/dbraw/zinc/11/46/15/501114615.db2.gz VUVZFNGCSZZVBS-SJLPKXTDSA-N 1 2 374.847 3.255 20 30 FGEDLO Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000436498352 501140020 /nfs/dbraw/zinc/14/00/20/501140020.db2.gz OYQIOXKDKDQFAL-UHFFFAOYSA-N 1 2 374.448 3.440 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000441456546 501142866 /nfs/dbraw/zinc/14/28/66/501142866.db2.gz GUWCMNZVAUPJEE-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000441456546 501142867 /nfs/dbraw/zinc/14/28/67/501142867.db2.gz GUWCMNZVAUPJEE-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)COc2ccccc2C#N)c(C)c1 ZINC000441488707 501147079 /nfs/dbraw/zinc/14/70/79/501147079.db2.gz ITSDHBSKMQIFQV-FQEVSTJZSA-N 1 2 374.444 3.308 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457679289 501285440 /nfs/dbraw/zinc/28/54/40/501285440.db2.gz DRWURTNPMXIMIH-UTRMSSBJSA-N 1 2 364.436 3.198 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000457679289 501285444 /nfs/dbraw/zinc/28/54/44/501285444.db2.gz DRWURTNPMXIMIH-UTRMSSBJSA-N 1 2 364.436 3.198 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCCC1 ZINC000451448925 501294776 /nfs/dbraw/zinc/29/47/76/501294776.db2.gz WOPYZCSNABXPCC-LJQANCHMSA-N 1 2 350.503 3.045 20 30 FGEDLO N#CCc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000455759195 501380170 /nfs/dbraw/zinc/38/01/70/501380170.db2.gz WKFBREMPQUGLBQ-UHFFFAOYSA-N 1 2 357.845 3.303 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451890938 501394035 /nfs/dbraw/zinc/39/40/35/501394035.db2.gz NUHDZOBHIUDEMQ-MFKMUULPSA-N 1 2 363.177 3.066 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451890938 501394036 /nfs/dbraw/zinc/39/40/36/501394036.db2.gz NUHDZOBHIUDEMQ-MFKMUULPSA-N 1 2 363.177 3.066 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000451965265 501409588 /nfs/dbraw/zinc/40/95/88/501409588.db2.gz KLLNRPJWRASRJV-LJQANCHMSA-N 1 2 355.388 3.290 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000451965265 501409591 /nfs/dbraw/zinc/40/95/91/501409591.db2.gz KLLNRPJWRASRJV-LJQANCHMSA-N 1 2 355.388 3.290 20 30 FGEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000455899560 501410339 /nfs/dbraw/zinc/41/03/39/501410339.db2.gz AVMAFIXPCOQDQP-UHFFFAOYSA-N 1 2 352.413 3.241 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389561 501433820 /nfs/dbraw/zinc/43/38/20/501433820.db2.gz ZHHPTEHWFRMSLK-CQSZACIVSA-N 1 2 364.440 3.120 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389561 501433824 /nfs/dbraw/zinc/43/38/24/501433824.db2.gz ZHHPTEHWFRMSLK-CQSZACIVSA-N 1 2 364.440 3.120 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CCC2 ZINC000456000247 501435244 /nfs/dbraw/zinc/43/52/44/501435244.db2.gz QZDDNTBXHFNBDU-SFHVURJKSA-N 1 2 350.466 3.326 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458507218 501461814 /nfs/dbraw/zinc/46/18/14/501461814.db2.gz LWGLQDPLQHIZIN-GJZGRUSLSA-N 1 2 351.516 3.021 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458507218 501461816 /nfs/dbraw/zinc/46/18/16/501461816.db2.gz LWGLQDPLQHIZIN-GJZGRUSLSA-N 1 2 351.516 3.021 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2[nH+]ccn21 ZINC000456377553 501513024 /nfs/dbraw/zinc/51/30/24/501513024.db2.gz LBVQMCWTOOUSCF-GUYCJALGSA-N 1 2 362.389 3.363 20 30 FGEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000458769750 501527874 /nfs/dbraw/zinc/52/78/74/501527874.db2.gz NDFGLQGZQOZEHX-OAHLLOKOSA-N 1 2 356.470 3.060 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456976388 501628690 /nfs/dbraw/zinc/62/86/90/501628690.db2.gz BSMUGUKXEWURGY-LBPRGKRZSA-N 1 2 368.275 3.222 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000459353050 501637625 /nfs/dbraw/zinc/63/76/25/501637625.db2.gz YVUHMESJYLOBAB-KRWDZBQOSA-N 1 2 359.426 3.017 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459534036 501671516 /nfs/dbraw/zinc/67/15/16/501671516.db2.gz UDVJFWYUMLUXTA-LJQANCHMSA-N 1 2 367.884 3.390 20 30 FGEDLO C[NH+](C)Cc1csc(NC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000457291246 501677003 /nfs/dbraw/zinc/67/70/03/501677003.db2.gz NCELVMJZLYTKDM-UHFFFAOYSA-N 1 2 358.467 3.264 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459631614 501689910 /nfs/dbraw/zinc/68/99/10/501689910.db2.gz IPYKKNAPQVNNRJ-WDEREUQCSA-N 1 2 358.467 3.391 20 30 FGEDLO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000477638676 501746606 /nfs/dbraw/zinc/74/66/06/501746606.db2.gz ADNGIOYYACAJGI-KRWDZBQOSA-N 1 2 359.376 3.349 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1C ZINC000485344134 501792830 /nfs/dbraw/zinc/79/28/30/501792830.db2.gz ILKSERIIWUMJIS-MOPGFXCFSA-N 1 2 359.514 3.195 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1C ZINC000485344134 501792834 /nfs/dbraw/zinc/79/28/34/501792834.db2.gz ILKSERIIWUMJIS-MOPGFXCFSA-N 1 2 359.514 3.195 20 30 FGEDLO C=CC[C@@H](CO)NC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000467658559 501839884 /nfs/dbraw/zinc/83/98/84/501839884.db2.gz WDJLDYVKIFJQAQ-GUYCJALGSA-N 1 2 354.853 3.059 20 30 FGEDLO Cc1c(F)cccc1NC(=O)CC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460612999 501875989 /nfs/dbraw/zinc/87/59/89/501875989.db2.gz ZWUAKATUOPMJGT-UHFFFAOYSA-N 1 2 353.397 3.098 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000478169377 501899030 /nfs/dbraw/zinc/89/90/30/501899030.db2.gz AIIJPWWKXKTONA-OAHLLOKOSA-N 1 2 369.415 3.284 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000474700446 501926420 /nfs/dbraw/zinc/92/64/20/501926420.db2.gz FARWVCMMTKUXDD-UHFFFAOYSA-N 1 2 362.433 3.042 20 30 FGEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)c1 ZINC000468058754 501943630 /nfs/dbraw/zinc/94/36/30/501943630.db2.gz IDQDNSKDQSWNEY-UHFFFAOYSA-N 1 2 373.412 3.167 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000478417563 501975719 /nfs/dbraw/zinc/97/57/19/501975719.db2.gz NWOUUNFRRQFONQ-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000478417563 501975723 /nfs/dbraw/zinc/97/57/23/501975723.db2.gz NWOUUNFRRQFONQ-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000475208203 502099367 /nfs/dbraw/zinc/09/93/67/502099367.db2.gz NVRQSOOQJKBYFM-UHFFFAOYSA-N 1 2 373.840 3.304 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000475346472 502142954 /nfs/dbraw/zinc/14/29/54/502142954.db2.gz OHZOYVUPVWJKGX-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662505 506297441 /nfs/dbraw/zinc/29/74/41/506297441.db2.gz AUVCTOJOQKGNQB-HKUYNNGSSA-N 1 2 363.889 3.302 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCCCCC#N)c2ccc(Cl)cc2)C1 ZINC000588662505 506297446 /nfs/dbraw/zinc/29/74/46/506297446.db2.gz AUVCTOJOQKGNQB-HKUYNNGSSA-N 1 2 363.889 3.302 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)ccc1C ZINC000486706871 502238206 /nfs/dbraw/zinc/23/82/06/502238206.db2.gz LKNGKMLGYNEIKQ-UHFFFAOYSA-N 1 2 363.461 3.142 20 30 FGEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468962732 502245856 /nfs/dbraw/zinc/24/58/56/502245856.db2.gz OUOXRXJBDOVPSR-UHFFFAOYSA-N 1 2 353.388 3.289 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c[nH+]1 ZINC000465535463 502295775 /nfs/dbraw/zinc/29/57/75/502295775.db2.gz YFDFITHJGZHPKU-RBUKOAKNSA-N 1 2 363.465 3.129 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472634822 502407321 /nfs/dbraw/zinc/40/73/21/502407321.db2.gz IBXUDMZYBSCJLV-RTWAWAEBSA-N 1 2 355.482 3.011 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472634822 502407327 /nfs/dbraw/zinc/40/73/27/502407327.db2.gz IBXUDMZYBSCJLV-RTWAWAEBSA-N 1 2 355.482 3.011 20 30 FGEDLO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462558247 502485778 /nfs/dbraw/zinc/48/57/78/502485778.db2.gz XICFTXSABRLJEW-JLSDUUJJSA-N 1 2 371.481 3.452 20 30 FGEDLO C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462558247 502485785 /nfs/dbraw/zinc/48/57/85/502485785.db2.gz XICFTXSABRLJEW-JLSDUUJJSA-N 1 2 371.481 3.452 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469883580 502583677 /nfs/dbraw/zinc/58/36/77/502583677.db2.gz JQPPLFQWHQIRRK-MSOLQXFVSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469883580 502583681 /nfs/dbraw/zinc/58/36/81/502583681.db2.gz JQPPLFQWHQIRRK-MSOLQXFVSA-N 1 2 359.351 3.151 20 30 FGEDLO Cc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000488127219 502634430 /nfs/dbraw/zinc/63/44/30/502634430.db2.gz OQXHMVUCCUFTOP-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000488127219 502634434 /nfs/dbraw/zinc/63/44/34/502634434.db2.gz OQXHMVUCCUFTOP-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO N#Cc1nnc2ccccc2c1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000477047575 502659755 /nfs/dbraw/zinc/65/97/55/502659755.db2.gz LUZCDNOOJQOMFE-UHFFFAOYSA-N 1 2 352.401 3.250 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000477148739 502691465 /nfs/dbraw/zinc/69/14/65/502691465.db2.gz HKHFZEWAIVFMRO-UHFFFAOYSA-N 1 2 360.461 3.017 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccc(F)cc4o3)CC2)cc1 ZINC000466818789 502692868 /nfs/dbraw/zinc/69/28/68/502692868.db2.gz DMQLQGQJJWNBKF-UHFFFAOYSA-N 1 2 350.397 3.156 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602859401 506329315 /nfs/dbraw/zinc/32/93/15/506329315.db2.gz XXMDQBYCHBDGSE-ZACQAIPSSA-N 1 2 356.514 3.057 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857973 506330015 /nfs/dbraw/zinc/33/00/15/506330015.db2.gz ZRDCNKJOABLXQK-INIZCTEOSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857973 506330020 /nfs/dbraw/zinc/33/00/20/506330020.db2.gz ZRDCNKJOABLXQK-INIZCTEOSA-N 1 2 354.841 3.425 20 30 FGEDLO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cn1cc[nH+]c1 ZINC000473876871 502735179 /nfs/dbraw/zinc/73/51/79/502735179.db2.gz LVUSYNAUXANTNS-HNNXBMFYSA-N 1 2 361.405 3.008 20 30 FGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000602869384 506332026 /nfs/dbraw/zinc/33/20/26/506332026.db2.gz NUPBHONTQODRLG-STQMWFEESA-N 1 2 356.451 3.219 20 30 FGEDLO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 ZINC000602871212 506332711 /nfs/dbraw/zinc/33/27/11/506332711.db2.gz ZKPZJLOAKOABOG-CRAIPNDOSA-N 1 2 350.422 3.158 20 30 FGEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000470442045 502774721 /nfs/dbraw/zinc/77/47/21/502774721.db2.gz IVYBRUYLNXWUQK-GOSISDBHSA-N 1 2 363.461 3.066 20 30 FGEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000470442045 502774730 /nfs/dbraw/zinc/77/47/30/502774730.db2.gz IVYBRUYLNXWUQK-GOSISDBHSA-N 1 2 363.461 3.066 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCSC[C@@H]2C)c1C#N ZINC000467145814 502801445 /nfs/dbraw/zinc/80/14/45/502801445.db2.gz FGPIBYFTRKWKSZ-AWEZNQCLSA-N 1 2 368.506 3.342 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c1C#N ZINC000467145814 502801452 /nfs/dbraw/zinc/80/14/52/502801452.db2.gz FGPIBYFTRKWKSZ-AWEZNQCLSA-N 1 2 368.506 3.342 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1C ZINC000602881343 506336037 /nfs/dbraw/zinc/33/60/37/506336037.db2.gz POMUJIBUWYKXGG-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1C ZINC000602881343 506336038 /nfs/dbraw/zinc/33/60/38/506336038.db2.gz POMUJIBUWYKXGG-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c3c(Br)cccc23)C1=O ZINC000513047983 502838675 /nfs/dbraw/zinc/83/86/75/502838675.db2.gz WOVWUQUSALEPOQ-OAHLLOKOSA-N 1 2 360.255 3.220 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)c3ccc(F)cc3)cn2c1 ZINC000513103651 502853405 /nfs/dbraw/zinc/85/34/05/502853405.db2.gz XHXUHAASFCFURL-KRWDZBQOSA-N 1 2 368.437 3.396 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501064137 502925570 /nfs/dbraw/zinc/92/55/70/502925570.db2.gz TXYCNEKLORKIEJ-QFBILLFUSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501064137 502925574 /nfs/dbraw/zinc/92/55/74/502925574.db2.gz TXYCNEKLORKIEJ-QFBILLFUSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCOc1ccccc1C#N ZINC000497613053 502999747 /nfs/dbraw/zinc/99/97/47/502999747.db2.gz VKZPPTLOAPZMAZ-UHFFFAOYSA-N 1 2 373.840 3.170 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCOc1ccccc1C#N ZINC000497613053 502999750 /nfs/dbraw/zinc/99/97/50/502999750.db2.gz VKZPPTLOAPZMAZ-UHFFFAOYSA-N 1 2 373.840 3.170 20 30 FGEDLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000514075774 503080557 /nfs/dbraw/zinc/08/05/57/503080557.db2.gz LRGADSZKGSFFNH-XCLFUZPHSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000514075774 503080561 /nfs/dbraw/zinc/08/05/61/503080561.db2.gz LRGADSZKGSFFNH-XCLFUZPHSA-N 1 2 367.836 3.194 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000490042469 503097368 /nfs/dbraw/zinc/09/73/68/503097368.db2.gz VMZDWXATUMFKCE-UHFFFAOYSA-N 1 2 367.396 3.087 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501869178 503097981 /nfs/dbraw/zinc/09/79/81/503097981.db2.gz HDJJTJWDESSUAR-GDBMZVCRSA-N 1 2 368.403 3.088 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501869178 503097985 /nfs/dbraw/zinc/09/79/85/503097985.db2.gz HDJJTJWDESSUAR-GDBMZVCRSA-N 1 2 368.403 3.088 20 30 FGEDLO N#Cc1ccc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000501971685 503118630 /nfs/dbraw/zinc/11/86/30/503118630.db2.gz JFPLRTUKSAMCLT-UHFFFAOYSA-N 1 2 360.417 3.405 20 30 FGEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000593046729 506356930 /nfs/dbraw/zinc/35/69/30/506356930.db2.gz RLSVNKADBMUXMM-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000593046729 506356935 /nfs/dbraw/zinc/35/69/35/506356935.db2.gz RLSVNKADBMUXMM-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000510851468 503204565 /nfs/dbraw/zinc/20/45/65/503204565.db2.gz MYICXQHMIQFQCK-UHFFFAOYSA-N 1 2 374.431 3.320 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000510851468 503204569 /nfs/dbraw/zinc/20/45/69/503204569.db2.gz MYICXQHMIQFQCK-UHFFFAOYSA-N 1 2 374.431 3.320 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000510893697 503212788 /nfs/dbraw/zinc/21/27/88/503212788.db2.gz ALMSSZQCMWKXGX-UHFFFAOYSA-N 1 2 366.440 3.062 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593053955 506362995 /nfs/dbraw/zinc/36/29/95/506362995.db2.gz DENXBHXDTPFCMM-LLVKDONJSA-N 1 2 355.335 3.252 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000499052793 503322020 /nfs/dbraw/zinc/32/20/20/503322020.db2.gz CLUNXOICWKAJJM-UHFFFAOYSA-N 1 2 371.444 3.463 20 30 FGEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Br)cc1 ZINC000499440527 503404769 /nfs/dbraw/zinc/40/47/69/503404769.db2.gz FGKMPECOCFEFSU-AWEZNQCLSA-N 1 2 355.195 3.091 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000503545848 503433947 /nfs/dbraw/zinc/43/39/47/503433947.db2.gz ARMSKKCBSJMNIZ-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000503545848 503433948 /nfs/dbraw/zinc/43/39/48/503433948.db2.gz ARMSKKCBSJMNIZ-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC3)C1 ZINC000602986492 506373939 /nfs/dbraw/zinc/37/39/39/506373939.db2.gz FBYLIPKOSWVWJW-UHFFFAOYSA-N 1 2 373.407 3.280 20 30 FGEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC3)C1 ZINC000602986492 506373940 /nfs/dbraw/zinc/37/39/40/506373940.db2.gz FBYLIPKOSWVWJW-UHFFFAOYSA-N 1 2 373.407 3.280 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1 ZINC000512253627 503499254 /nfs/dbraw/zinc/49/92/54/503499254.db2.gz REDIHMWOVHIBGS-UHFFFAOYSA-N 1 2 368.452 3.277 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000504075164 503518092 /nfs/dbraw/zinc/51/80/92/503518092.db2.gz KPQKCWDLHGZGCT-FQEVSTJZSA-N 1 2 368.437 3.287 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954589 503521341 /nfs/dbraw/zinc/52/13/41/503521341.db2.gz MNCOXPXLFFVCFM-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954589 503521345 /nfs/dbraw/zinc/52/13/45/503521345.db2.gz MNCOXPXLFFVCFM-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500024723 503535512 /nfs/dbraw/zinc/53/55/12/503535512.db2.gz MQRDSQKPQJZWRF-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500024723 503535517 /nfs/dbraw/zinc/53/55/17/503535517.db2.gz MQRDSQKPQJZWRF-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000512408499 503541105 /nfs/dbraw/zinc/54/11/05/503541105.db2.gz HWDYVRQZQAKSQO-OAHLLOKOSA-N 1 2 363.479 3.315 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000512408499 503541110 /nfs/dbraw/zinc/54/11/10/503541110.db2.gz HWDYVRQZQAKSQO-OAHLLOKOSA-N 1 2 363.479 3.315 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2ccccc2n1 ZINC000512516582 503574526 /nfs/dbraw/zinc/57/45/26/503574526.db2.gz IKWSWCFGZKDPOA-UHFFFAOYSA-N 1 2 351.454 3.050 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2ccccc2n1 ZINC000512516582 503574532 /nfs/dbraw/zinc/57/45/32/503574532.db2.gz IKWSWCFGZKDPOA-UHFFFAOYSA-N 1 2 351.454 3.050 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000516765938 503582709 /nfs/dbraw/zinc/58/27/09/503582709.db2.gz IELYTFPUAIISDM-MRXNPFEDSA-N 1 2 357.397 3.145 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000516765938 503582711 /nfs/dbraw/zinc/58/27/11/503582711.db2.gz IELYTFPUAIISDM-MRXNPFEDSA-N 1 2 357.397 3.145 20 30 FGEDLO CCn1cc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)cn1 ZINC000593079624 506380795 /nfs/dbraw/zinc/38/07/95/506380795.db2.gz GHHUUYITPDVTFX-UHFFFAOYSA-N 1 2 350.426 3.235 20 30 FGEDLO CCn1cc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)C)cn1 ZINC000593079624 506380803 /nfs/dbraw/zinc/38/08/03/506380803.db2.gz GHHUUYITPDVTFX-UHFFFAOYSA-N 1 2 350.426 3.235 20 30 FGEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508924616 503601239 /nfs/dbraw/zinc/60/12/39/503601239.db2.gz YRXOSVGWDREVDN-HNNXBMFYSA-N 1 2 374.558 3.392 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000512690205 503613787 /nfs/dbraw/zinc/61/37/87/503613787.db2.gz HJXYDETYZMVCCE-OALUTQOASA-N 1 2 355.388 3.320 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000512690205 503613791 /nfs/dbraw/zinc/61/37/91/503613791.db2.gz HJXYDETYZMVCCE-OALUTQOASA-N 1 2 355.388 3.320 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000532946457 503670205 /nfs/dbraw/zinc/67/02/05/503670205.db2.gz RPQLUCQAJRZZMF-JKSUJKDBSA-N 1 2 353.466 3.287 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000532946457 503670210 /nfs/dbraw/zinc/67/02/10/503670210.db2.gz RPQLUCQAJRZZMF-JKSUJKDBSA-N 1 2 353.466 3.287 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537048257 503788438 /nfs/dbraw/zinc/78/84/38/503788438.db2.gz WUAGDLOQGHNPHX-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000533280226 503789708 /nfs/dbraw/zinc/78/97/08/503789708.db2.gz ACTFPWSFRJYBKE-GFCCVEGCSA-N 1 2 370.234 3.270 20 30 FGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C[C@H](C)C#N ZINC000533402097 503833225 /nfs/dbraw/zinc/83/32/25/503833225.db2.gz WRLWGTBIJWJOOT-QWHCGFSZSA-N 1 2 357.527 3.422 20 30 FGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C[C@H](C)C#N ZINC000533402097 503833230 /nfs/dbraw/zinc/83/32/30/503833230.db2.gz WRLWGTBIJWJOOT-QWHCGFSZSA-N 1 2 357.527 3.422 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517937615 503870692 /nfs/dbraw/zinc/87/06/92/503870692.db2.gz ZPUINAUCKIMGTO-IBGZPJMESA-N 1 2 371.448 3.308 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517937615 503870697 /nfs/dbraw/zinc/87/06/97/503870697.db2.gz ZPUINAUCKIMGTO-IBGZPJMESA-N 1 2 371.448 3.308 20 30 FGEDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4cccc(C#N)n4)CC3)o2)cc1 ZINC000546917890 503925795 /nfs/dbraw/zinc/92/57/95/503925795.db2.gz AKJYHWTTXMCDAO-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000518508454 504004340 /nfs/dbraw/zinc/00/43/40/504004340.db2.gz RCFZAODEDMAZOL-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000530722319 504064821 /nfs/dbraw/zinc/06/48/21/504064821.db2.gz ZJHOLTBCOIVLFQ-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO Cc1cccn2cc(CC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)[nH+]c12 ZINC000530738946 504070565 /nfs/dbraw/zinc/07/05/65/504070565.db2.gz WRIZROXCLXNTRV-UHFFFAOYSA-N 1 2 371.362 3.372 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)nc1 ZINC000518926699 504096186 /nfs/dbraw/zinc/09/61/86/504096186.db2.gz LIZCYXSTWNFXJA-UHFFFAOYSA-N 1 2 373.416 3.488 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH+]cn1C ZINC000547539818 504143084 /nfs/dbraw/zinc/14/30/84/504143084.db2.gz QGXLAIJIHLROHC-UHFFFAOYSA-N 1 2 366.234 3.079 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000531198972 504223644 /nfs/dbraw/zinc/22/36/44/504223644.db2.gz PZSMQUHIVCXSPR-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1C ZINC000531255327 504244723 /nfs/dbraw/zinc/24/47/23/504244723.db2.gz YHMJSUPQCIOJFW-UHFFFAOYSA-N 1 2 351.450 3.240 20 30 FGEDLO COCCC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000528576273 504280237 /nfs/dbraw/zinc/28/02/37/504280237.db2.gz LWMHOXCVRLVXOT-HNNXBMFYSA-N 1 2 357.479 3.221 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547996061 504287289 /nfs/dbraw/zinc/28/72/89/504287289.db2.gz KGTRBTCYUANIBK-ZIAGYGMSSA-N 1 2 355.467 3.271 20 30 FGEDLO COc1cc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000541923201 504303486 /nfs/dbraw/zinc/30/34/86/504303486.db2.gz KARJFYKIMPYXCS-HXUWFJFHSA-N 1 2 350.466 3.090 20 30 FGEDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097706 504328995 /nfs/dbraw/zinc/32/89/95/504328995.db2.gz VXECDEAKIXWFFF-LJQANCHMSA-N 1 2 361.511 3.328 20 30 FGEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097706 504328999 /nfs/dbraw/zinc/32/89/99/504328999.db2.gz VXECDEAKIXWFFF-LJQANCHMSA-N 1 2 361.511 3.328 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000519903934 504379323 /nfs/dbraw/zinc/37/93/23/504379323.db2.gz IHHADVMKGIQCBQ-UHFFFAOYSA-N 1 2 355.388 3.117 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000519903934 504379329 /nfs/dbraw/zinc/37/93/29/504379329.db2.gz IHHADVMKGIQCBQ-UHFFFAOYSA-N 1 2 355.388 3.117 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c1C#N ZINC000545217546 504401234 /nfs/dbraw/zinc/40/12/34/504401234.db2.gz SAAKEARQLDVZHP-ZDUSSCGKSA-N 1 2 354.454 3.456 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1C ZINC000548426018 504441442 /nfs/dbraw/zinc/44/14/42/504441442.db2.gz DANMJQLQHHNVBM-UZLBHIALSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1C ZINC000548426018 504441444 /nfs/dbraw/zinc/44/14/44/504441444.db2.gz DANMJQLQHHNVBM-UZLBHIALSA-N 1 2 355.482 3.049 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000542311223 504445847 /nfs/dbraw/zinc/44/58/47/504445847.db2.gz NKYDQQJEKPOHOW-UHFFFAOYSA-N 1 2 364.409 3.164 20 30 FGEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000531977296 504493637 /nfs/dbraw/zinc/49/36/37/504493637.db2.gz MAAUWICUQMMSOQ-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO CC[C@H](CC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000545482196 504502897 /nfs/dbraw/zinc/50/28/97/504502897.db2.gz GKHOMVLMCZBPSE-MRXNPFEDSA-N 1 2 368.403 3.116 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000539390003 504552715 /nfs/dbraw/zinc/55/27/15/504552715.db2.gz XADHBZGOAMKOCE-UYAOXDASSA-N 1 2 359.514 3.412 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3sccc3C3CC3)CC2)cc1 ZINC000520776967 504579798 /nfs/dbraw/zinc/57/97/98/504579798.db2.gz JNZBFTQREPEHKE-UHFFFAOYSA-N 1 2 351.475 3.455 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000532413892 504640683 /nfs/dbraw/zinc/64/06/83/504640683.db2.gz ABZIDVHLNGKXOZ-FUHWJXTLSA-N 1 2 350.528 3.448 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000532413892 504640687 /nfs/dbraw/zinc/64/06/87/504640687.db2.gz ABZIDVHLNGKXOZ-FUHWJXTLSA-N 1 2 350.528 3.448 20 30 FGEDLO C[C@H]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521350398 504716012 /nfs/dbraw/zinc/71/60/12/504716012.db2.gz LPKKAUSCBDNDDH-FXAWDEMLSA-N 1 2 354.498 3.212 20 30 FGEDLO Cc1cc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)oc2c(Br)c1 ZINC000565051710 504782276 /nfs/dbraw/zinc/78/22/76/504782276.db2.gz QWHILOVMIOSLHV-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCc2ccc(C#N)cc2[N+](=O)[O-])c1C(=O)OC ZINC000565057456 504783997 /nfs/dbraw/zinc/78/39/97/504783997.db2.gz GTZRPXPLGWSQFH-UHFFFAOYSA-N 1 2 369.377 3.488 20 30 FGEDLO C=C(C)Cn1c(N2CC[NH+](Cc3nc(C)c(C)o3)CC2)nnc1C(C)(C)C ZINC000549638389 504865417 /nfs/dbraw/zinc/86/54/17/504865417.db2.gz XJJOYJGJAUGZEW-UHFFFAOYSA-N 1 2 372.517 3.079 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)Nc2c[nH+]c3n2CCCC3)c1C#N ZINC000556410158 504866948 /nfs/dbraw/zinc/86/69/48/504866948.db2.gz WSEGWIQAMUGYNV-UHFFFAOYSA-N 1 2 353.451 3.338 20 30 FGEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 ZINC000553310145 504879130 /nfs/dbraw/zinc/87/91/30/504879130.db2.gz XRMMTKJBSFIUNH-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000565493556 504904540 /nfs/dbraw/zinc/90/45/40/504904540.db2.gz QUSJWNHXTMEQSG-AWEZNQCLSA-N 1 2 355.360 3.306 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000559822850 504932738 /nfs/dbraw/zinc/93/27/38/504932738.db2.gz HWGOLVSWBMSZRH-TWGQIWQCSA-N 1 2 374.488 3.095 20 30 FGEDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000565772580 504982550 /nfs/dbraw/zinc/98/25/50/504982550.db2.gz CQBGNJBZDNEMSJ-HZPDHXFCSA-N 1 2 361.511 3.376 20 30 FGEDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000565772580 504982556 /nfs/dbraw/zinc/98/25/56/504982556.db2.gz CQBGNJBZDNEMSJ-HZPDHXFCSA-N 1 2 361.511 3.376 20 30 FGEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000554130510 505100807 /nfs/dbraw/zinc/10/08/07/505100807.db2.gz UOWLAADQEWFTKO-UHFFFAOYSA-N 1 2 367.424 3.139 20 30 FGEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000554130510 505100810 /nfs/dbraw/zinc/10/08/10/505100810.db2.gz UOWLAADQEWFTKO-UHFFFAOYSA-N 1 2 367.424 3.139 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@H](CC)CC#N ZINC000563367553 505123098 /nfs/dbraw/zinc/12/30/98/505123098.db2.gz PQMTYHQWQIIDFT-NWDGAFQWSA-N 1 2 351.472 3.096 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563641041 505199821 /nfs/dbraw/zinc/19/98/21/505199821.db2.gz XMCJTDUXGBMKGN-HOTGVXAUSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563641041 505199823 /nfs/dbraw/zinc/19/98/23/505199823.db2.gz XMCJTDUXGBMKGN-HOTGVXAUSA-N 1 2 364.852 3.217 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CCC2 ZINC000563764147 505231808 /nfs/dbraw/zinc/23/18/08/505231808.db2.gz ASGJZLYCIQVRSX-OTWHNJEPSA-N 1 2 363.465 3.018 20 30 FGEDLO Cn1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CCC1 ZINC000566802525 505275951 /nfs/dbraw/zinc/27/59/51/505275951.db2.gz HNZUAGMCCYCXSM-UHFFFAOYSA-N 1 2 362.477 3.122 20 30 FGEDLO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566917239 505310815 /nfs/dbraw/zinc/31/08/15/505310815.db2.gz BGYQBGJKMNIIRU-QFIPXVFZSA-N 1 2 364.493 3.287 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cc(F)cc(C#N)c1 ZINC000551925922 505344097 /nfs/dbraw/zinc/34/40/97/505344097.db2.gz KHQLSEPLTMAQLT-UHFFFAOYSA-N 1 2 371.481 3.381 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000555272572 505396799 /nfs/dbraw/zinc/39/67/99/505396799.db2.gz PLKIGEIDAIZPEM-UHFFFAOYSA-N 1 2 363.868 3.277 20 30 FGEDLO N#Cc1cccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000567223704 505399772 /nfs/dbraw/zinc/39/97/72/505399772.db2.gz VHRQTZXIJJERPG-HXUWFJFHSA-N 1 2 365.502 3.007 20 30 FGEDLO C=CCn1c(-c2ccc(C)s2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558662903 505455477 /nfs/dbraw/zinc/45/54/77/505455477.db2.gz DVOCSDUYCGZROF-UHFFFAOYSA-N 1 2 366.494 3.223 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000567481027 505476736 /nfs/dbraw/zinc/47/67/36/505476736.db2.gz SVOPVRXVQVAEST-HDJSIYSDSA-N 1 2 356.376 3.385 20 30 FGEDLO Cc1c(COc2ccccc2)cccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000567701775 505542205 /nfs/dbraw/zinc/54/22/05/505542205.db2.gz KPIGSMIIRWFAEY-IBGZPJMESA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1c(COc2ccccc2)cccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000567701775 505542208 /nfs/dbraw/zinc/54/22/08/505542208.db2.gz KPIGSMIIRWFAEY-IBGZPJMESA-N 1 2 353.466 3.192 20 30 FGEDLO CN(C)c1cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)[nH+]cc1Br ZINC000603029700 506387573 /nfs/dbraw/zinc/38/75/73/506387573.db2.gz NMJXEOPFOPKXFW-JQWIXIFHSA-N 1 2 366.263 3.066 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3coc(-c4ccccc4F)n3)CC2)nc1 ZINC000599269084 506391553 /nfs/dbraw/zinc/39/15/53/506391553.db2.gz NBAMMFPKMBTUNG-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588954786 506394114 /nfs/dbraw/zinc/39/41/14/506394114.db2.gz PBWKTDUWMPNVTF-AWEZNQCLSA-N 1 2 369.446 3.166 20 30 FGEDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588954786 506394122 /nfs/dbraw/zinc/39/41/22/506394122.db2.gz PBWKTDUWMPNVTF-AWEZNQCLSA-N 1 2 369.446 3.166 20 30 FGEDLO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155577 506428693 /nfs/dbraw/zinc/42/86/93/506428693.db2.gz FKEWVHQQCZUDRM-OAHLLOKOSA-N 1 2 370.400 3.197 20 30 FGEDLO Cc1cc(N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000596689559 506538972 /nfs/dbraw/zinc/53/89/72/506538972.db2.gz ALMUMJCPWMLGKK-UHFFFAOYSA-N 1 2 369.513 3.421 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000599677228 506572810 /nfs/dbraw/zinc/57/28/10/506572810.db2.gz INVKXTXXAFBIHT-NRFANRHFSA-N 1 2 363.436 3.445 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000599677228 506572813 /nfs/dbraw/zinc/57/28/13/506572813.db2.gz INVKXTXXAFBIHT-NRFANRHFSA-N 1 2 363.436 3.445 20 30 FGEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677658 506573941 /nfs/dbraw/zinc/57/39/41/506573941.db2.gz JDCHXZLMYWCUJT-UHFFFAOYSA-N 1 2 365.389 3.006 20 30 FGEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677658 506573945 /nfs/dbraw/zinc/57/39/45/506573945.db2.gz JDCHXZLMYWCUJT-UHFFFAOYSA-N 1 2 365.389 3.006 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000599678572 506574692 /nfs/dbraw/zinc/57/46/92/506574692.db2.gz VYSMVVCTGRHHQJ-UHFFFAOYSA-N 1 2 364.836 3.275 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000599678572 506574699 /nfs/dbraw/zinc/57/46/99/506574699.db2.gz VYSMVVCTGRHHQJ-UHFFFAOYSA-N 1 2 364.836 3.275 20 30 FGEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678611 506574787 /nfs/dbraw/zinc/57/47/87/506574787.db2.gz WZCZGBYCXWVDOD-UHFFFAOYSA-N 1 2 368.502 3.283 20 30 FGEDLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678611 506574796 /nfs/dbraw/zinc/57/47/96/506574796.db2.gz WZCZGBYCXWVDOD-UHFFFAOYSA-N 1 2 368.502 3.283 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000599679836 506576763 /nfs/dbraw/zinc/57/67/63/506576763.db2.gz YDMCIYNTHZZUOS-UHFFFAOYSA-N 1 2 374.400 3.090 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000599679836 506576769 /nfs/dbraw/zinc/57/67/69/506576769.db2.gz YDMCIYNTHZZUOS-UHFFFAOYSA-N 1 2 374.400 3.090 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685559 506581232 /nfs/dbraw/zinc/58/12/32/506581232.db2.gz GJQSFQKBXJPWAM-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685559 506581234 /nfs/dbraw/zinc/58/12/34/506581234.db2.gz GJQSFQKBXJPWAM-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO COCCN(CCC#N)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000589763781 506645153 /nfs/dbraw/zinc/64/51/53/506645153.db2.gz IQWOSTSORKJDAW-UHFFFAOYSA-N 1 2 367.453 3.280 20 30 FGEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000593571614 506688481 /nfs/dbraw/zinc/68/84/81/506688481.db2.gz WDKGURZCWLGLFM-CQSZACIVSA-N 1 2 354.281 3.230 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000608779895 506707574 /nfs/dbraw/zinc/70/75/74/506707574.db2.gz MHDSUUJMHSOJIO-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000597083346 506763286 /nfs/dbraw/zinc/76/32/86/506763286.db2.gz ZMQDOFFSMUJMKC-UHFFFAOYSA-N 1 2 363.421 3.195 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000583434224 506777087 /nfs/dbraw/zinc/77/70/87/506777087.db2.gz VNOWEHUFTKFHFP-HOTGVXAUSA-N 1 2 373.522 3.256 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000583434224 506777094 /nfs/dbraw/zinc/77/70/94/506777094.db2.gz VNOWEHUFTKFHFP-HOTGVXAUSA-N 1 2 373.522 3.256 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3n2CC#N)c[nH+]1 ZINC000609164169 506800224 /nfs/dbraw/zinc/80/02/24/506800224.db2.gz IVIGJYPOYDPXJJ-UHFFFAOYSA-N 1 2 361.449 3.336 20 30 FGEDLO N#Cc1ccc(NCC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000590375395 506805315 /nfs/dbraw/zinc/80/53/15/506805315.db2.gz VMTIEPDAGNBTIS-UHFFFAOYSA-N 1 2 373.460 3.328 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000593967403 506855315 /nfs/dbraw/zinc/85/53/15/506855315.db2.gz VJVDZHFHRALGMO-QGZVFWFLSA-N 1 2 363.461 3.208 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057718 506912294 /nfs/dbraw/zinc/91/22/94/506912294.db2.gz LWTDJQCVIJIVEJ-QFBILLFUSA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057718 506912299 /nfs/dbraw/zinc/91/22/99/506912299.db2.gz LWTDJQCVIJIVEJ-QFBILLFUSA-N 1 2 353.466 3.087 20 30 FGEDLO CC(C)C[C@@H](NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609538328 506912685 /nfs/dbraw/zinc/91/26/85/506912685.db2.gz QHWGLPKQQKLXPE-RTWAWAEBSA-N 1 2 370.541 3.056 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000590746227 506935809 /nfs/dbraw/zinc/93/58/09/506935809.db2.gz VRRZLJWABKZEPG-KRWDZBQOSA-N 1 2 374.843 3.343 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000590746227 506935817 /nfs/dbraw/zinc/93/58/17/506935817.db2.gz VRRZLJWABKZEPG-KRWDZBQOSA-N 1 2 374.843 3.343 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000583761399 506958133 /nfs/dbraw/zinc/95/81/33/506958133.db2.gz PZIJCZGYAVCPRK-GFCCVEGCSA-N 1 2 374.466 3.048 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000594248721 507041140 /nfs/dbraw/zinc/04/11/40/507041140.db2.gz NAGZZEYSAOZZOQ-MRXNPFEDSA-N 1 2 350.466 3.294 20 30 FGEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)ccc1Cl ZINC000597642691 507043393 /nfs/dbraw/zinc/04/33/93/507043393.db2.gz WBSKGPNONBQAPE-UHFFFAOYSA-N 1 2 374.897 3.446 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000594293191 507066421 /nfs/dbraw/zinc/06/64/21/507066421.db2.gz GPTSZBQHMGDLNO-MSOLQXFVSA-N 1 2 362.477 3.037 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000584002634 507097650 /nfs/dbraw/zinc/09/76/50/507097650.db2.gz HAXGCIOQHDCNNW-ZFWWWQNUSA-N 1 2 356.451 3.301 20 30 FGEDLO C=CCCn1cc(CSC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000594565874 507188064 /nfs/dbraw/zinc/18/80/64/507188064.db2.gz PZKNLBLRZFVIHJ-QGZVFWFLSA-N 1 2 371.510 3.115 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000610356219 507209955 /nfs/dbraw/zinc/20/99/55/507209955.db2.gz MBRQMENJMGATSG-DLBZAZTESA-N 1 2 363.465 3.103 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N3CC(CC#N)C3)cn2c1 ZINC000598030660 507226216 /nfs/dbraw/zinc/22/62/16/507226216.db2.gz GCJFIQUUQSHYKC-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1noc(-c2ccsc2)n1 ZINC000584255480 507238303 /nfs/dbraw/zinc/23/83/03/507238303.db2.gz LAWKZWNCWDTFLH-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1noc(-c2ccsc2)n1 ZINC000584255480 507238309 /nfs/dbraw/zinc/23/83/09/507238309.db2.gz LAWKZWNCWDTFLH-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)nc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000601101432 507261291 /nfs/dbraw/zinc/26/12/91/507261291.db2.gz RFFLIAICFFTZFY-KRWDZBQOSA-N 1 2 364.840 3.236 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610581649 507302071 /nfs/dbraw/zinc/30/20/71/507302071.db2.gz IFALLRRFBIWJOT-UXHICEINSA-N 1 2 350.418 3.236 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610581649 507302075 /nfs/dbraw/zinc/30/20/75/507302075.db2.gz IFALLRRFBIWJOT-UXHICEINSA-N 1 2 350.418 3.236 20 30 FGEDLO N#Cc1nnc2ccccc2c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239825 507307464 /nfs/dbraw/zinc/30/74/64/507307464.db2.gz CYRDTNPMHYLJLQ-UHFFFAOYSA-N 1 2 362.462 3.062 20 30 FGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000601241141 507308323 /nfs/dbraw/zinc/30/83/23/507308323.db2.gz ZJKPPPYKXJDIOQ-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@H](C)CO2)c1 ZINC000584470499 507362791 /nfs/dbraw/zinc/36/27/91/507362791.db2.gz GWZLMJGSXKMKJM-OXQOHEQNSA-N 1 2 361.449 3.180 20 30 FGEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@H](C)CO2)c1 ZINC000584470499 507362793 /nfs/dbraw/zinc/36/27/93/507362793.db2.gz GWZLMJGSXKMKJM-OXQOHEQNSA-N 1 2 361.449 3.180 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000610944411 507449499 /nfs/dbraw/zinc/44/94/99/507449499.db2.gz BEKCGWFBAVOOEC-IBGZPJMESA-N 1 2 364.449 3.344 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000610944411 507449505 /nfs/dbraw/zinc/44/95/05/507449505.db2.gz BEKCGWFBAVOOEC-IBGZPJMESA-N 1 2 364.449 3.344 20 30 FGEDLO N#CCC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccn1 ZINC000595343398 507466684 /nfs/dbraw/zinc/46/66/84/507466684.db2.gz QCTHYLXGPGEBDY-SFHVURJKSA-N 1 2 352.463 3.300 20 30 FGEDLO N#CCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccn1 ZINC000595343398 507466688 /nfs/dbraw/zinc/46/66/88/507466688.db2.gz QCTHYLXGPGEBDY-SFHVURJKSA-N 1 2 352.463 3.300 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1Cl ZINC000601856383 507490131 /nfs/dbraw/zinc/49/01/31/507490131.db2.gz VQQDNNPHWYMAHJ-UHFFFAOYSA-N 1 2 372.881 3.090 20 30 FGEDLO N#Cc1cnccc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000592120484 507490919 /nfs/dbraw/zinc/49/09/19/507490919.db2.gz CYKIXLGATGYUPW-HNNXBMFYSA-N 1 2 355.747 3.449 20 30 FGEDLO N#CC1(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000595436871 507495884 /nfs/dbraw/zinc/49/58/84/507495884.db2.gz AECUOFOPWOIITP-UHFFFAOYSA-N 1 2 351.454 3.205 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(Br)c1 ZINC000592136782 507500382 /nfs/dbraw/zinc/50/03/82/507500382.db2.gz WJRFRNLKQNBENC-HNNXBMFYSA-N 1 2 353.285 3.029 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(Br)c1 ZINC000592136782 507500384 /nfs/dbraw/zinc/50/03/84/507500384.db2.gz WJRFRNLKQNBENC-HNNXBMFYSA-N 1 2 353.285 3.029 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000598590511 507508858 /nfs/dbraw/zinc/50/88/58/507508858.db2.gz NFTLRCMHRHHPOU-JKSUJKDBSA-N 1 2 367.287 3.123 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000598590511 507508862 /nfs/dbraw/zinc/50/88/62/507508862.db2.gz NFTLRCMHRHHPOU-JKSUJKDBSA-N 1 2 367.287 3.123 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150581 507509146 /nfs/dbraw/zinc/50/91/46/507509146.db2.gz GYKHKHPUJOEAQS-QFYYESIMSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150581 507509152 /nfs/dbraw/zinc/50/91/52/507509152.db2.gz GYKHKHPUJOEAQS-QFYYESIMSA-N 1 2 367.236 3.455 20 30 FGEDLO C=CC[C@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000614466464 507526602 /nfs/dbraw/zinc/52/66/02/507526602.db2.gz SKEOYEOSUOKJKT-KRWDZBQOSA-N 1 2 354.454 3.032 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196333 507534899 /nfs/dbraw/zinc/53/48/99/507534899.db2.gz VYPHGXQIXCQSAW-IAGOWNOFSA-N 1 2 373.472 3.494 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196333 507534906 /nfs/dbraw/zinc/53/49/06/507534906.db2.gz VYPHGXQIXCQSAW-IAGOWNOFSA-N 1 2 373.472 3.494 20 30 FGEDLO N#CCCN1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000611173558 507545855 /nfs/dbraw/zinc/54/58/55/507545855.db2.gz AJYMELRFOHWNQY-FQEVSTJZSA-N 1 2 366.440 3.037 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000595537907 507548258 /nfs/dbraw/zinc/54/82/58/507548258.db2.gz HLIMYUOIQXPWRY-LJQANCHMSA-N 1 2 365.481 3.351 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602090183 507586668 /nfs/dbraw/zinc/58/66/68/507586668.db2.gz LUETZCABNUQIBF-CYBMUJFWSA-N 1 2 367.331 3.093 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000611260258 507587371 /nfs/dbraw/zinc/58/73/71/507587371.db2.gz OFRXCSGDIHFNTM-UHFFFAOYSA-N 1 2 374.448 3.136 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595633135 507604283 /nfs/dbraw/zinc/60/42/83/507604283.db2.gz NSAQWPJMTGSILK-OAHLLOKOSA-N 1 2 354.479 3.077 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000611349967 507634719 /nfs/dbraw/zinc/63/47/19/507634719.db2.gz SNDZRPFGBWYIKM-BFUOFWGJSA-N 1 2 356.495 3.138 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000586824224 507684938 /nfs/dbraw/zinc/68/49/38/507684938.db2.gz RTINXSFCMLFTCY-SFHVURJKSA-N 1 2 357.816 3.066 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488201 507704197 /nfs/dbraw/zinc/70/41/97/507704197.db2.gz AHBICZXXJSORGX-KRWDZBQOSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488201 507704204 /nfs/dbraw/zinc/70/42/04/507704204.db2.gz AHBICZXXJSORGX-KRWDZBQOSA-N 1 2 350.470 3.499 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829567 507705314 /nfs/dbraw/zinc/70/53/14/507705314.db2.gz WCUFRHBQNKHVOV-GFCCVEGCSA-N 1 2 358.829 3.406 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830369 507705737 /nfs/dbraw/zinc/70/57/37/507705737.db2.gz UHVPWQBJYYMXGW-FABXCBLPSA-N 1 2 372.296 3.059 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844490 507710199 /nfs/dbraw/zinc/71/01/99/507710199.db2.gz UBADCJFMFVEACZ-WMZOPIPTSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844490 507710201 /nfs/dbraw/zinc/71/02/01/507710201.db2.gz UBADCJFMFVEACZ-WMZOPIPTSA-N 1 2 365.399 3.432 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CC=CCC2)cc1 ZINC000611517577 507717774 /nfs/dbraw/zinc/71/77/74/507717774.db2.gz SLPSZUJQUKKCRE-UHFFFAOYSA-N 1 2 364.449 3.175 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC=CCC2)cc1 ZINC000611517577 507717779 /nfs/dbraw/zinc/71/77/79/507717779.db2.gz SLPSZUJQUKKCRE-UHFFFAOYSA-N 1 2 364.449 3.175 20 30 FGEDLO CC[N@H+](CCOc1ccccc1OC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000595888973 507729099 /nfs/dbraw/zinc/72/90/99/507729099.db2.gz WOZLCKCIQFSCKV-FQEVSTJZSA-N 1 2 368.433 3.182 20 30 FGEDLO CC[N@@H+](CCOc1ccccc1OC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000595888973 507729105 /nfs/dbraw/zinc/72/91/05/507729105.db2.gz WOZLCKCIQFSCKV-FQEVSTJZSA-N 1 2 368.433 3.182 20 30 FGEDLO C=CCOc1ccccc1C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602553099 507748466 /nfs/dbraw/zinc/74/84/66/507748466.db2.gz UYXNDDMDXGDCLE-UHFFFAOYSA-N 1 2 357.454 3.230 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380226 608749406 /nfs/dbraw/zinc/74/94/06/608749406.db2.gz RTAOBGXRKIFKPD-CVEARBPZSA-N 1 2 350.451 3.200 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380226 608749408 /nfs/dbraw/zinc/74/94/08/608749408.db2.gz RTAOBGXRKIFKPD-CVEARBPZSA-N 1 2 350.451 3.200 20 30 FGEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006046780 695553784 /nfs/dbraw/zinc/55/37/84/695553784.db2.gz WWVAFJRAZYOXRP-LLVKDONJSA-N 1 2 351.328 3.370 20 30 FGEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000108520580 700526296 /nfs/dbraw/zinc/52/62/96/700526296.db2.gz XXRAFRYUKXCNTE-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO C=C(Br)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403362 700593328 /nfs/dbraw/zinc/59/33/28/700593328.db2.gz CWSLLSSIQNHDRV-NSHDSACASA-N 1 2 368.193 3.286 20 30 FGEDLO C=C(Br)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403362 700593330 /nfs/dbraw/zinc/59/33/30/700593330.db2.gz CWSLLSSIQNHDRV-NSHDSACASA-N 1 2 368.193 3.286 20 30 FGEDLO CCc1ccc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127529871 700762676 /nfs/dbraw/zinc/76/26/76/700762676.db2.gz CBXZCLCOYXVTNR-FQEVSTJZSA-N 1 2 355.507 3.033 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000133476080 700838383 /nfs/dbraw/zinc/83/83/83/700838383.db2.gz MMVMUBLCGLPKLZ-CYBMUJFWSA-N 1 2 355.276 3.489 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000133476080 700838385 /nfs/dbraw/zinc/83/83/85/700838385.db2.gz MMVMUBLCGLPKLZ-CYBMUJFWSA-N 1 2 355.276 3.489 20 30 FGEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(-c2cccs2)no1 ZINC000158201843 705176916 /nfs/dbraw/zinc/17/69/16/705176916.db2.gz GYYSRPKEGZUASG-SNVBAGLBSA-N 1 2 356.407 3.131 20 30 FGEDLO C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329505721 713830036 /nfs/dbraw/zinc/83/00/36/713830036.db2.gz HKUVSYYQWPNXPX-HZSPNIEDSA-N 1 2 350.532 3.235 20 30 FGEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330070088 713833908 /nfs/dbraw/zinc/83/39/08/713833908.db2.gz WSZMESYQSNRPIW-ZIAGYGMSSA-N 1 2 350.532 3.237 20 30 FGEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000617098431 714629222 /nfs/dbraw/zinc/62/92/22/714629222.db2.gz ZNCOZRCJCQDZTH-YVEFUNNKSA-N 1 2 354.479 3.083 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000623537184 715357090 /nfs/dbraw/zinc/35/70/90/715357090.db2.gz QBWMJTQPBGJVCJ-UHFFFAOYSA-N 1 2 350.850 3.445 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(Br)n2)CC1 ZINC000779436139 724413914 /nfs/dbraw/zinc/41/39/14/724413914.db2.gz BXJQKYRUYYOPSQ-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(Br)n2)CC1 ZINC000779436139 724413915 /nfs/dbraw/zinc/41/39/15/724413915.db2.gz BXJQKYRUYYOPSQ-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO COc1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1F ZINC000782949465 724711858 /nfs/dbraw/zinc/71/18/58/724711858.db2.gz ICIHGDOODNDJFO-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 ZINC000730097157 722465235 /nfs/dbraw/zinc/46/52/35/722465235.db2.gz DWDKBKORSKOXFA-HNNXBMFYSA-N 1 2 356.447 3.114 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 ZINC000730097157 722465236 /nfs/dbraw/zinc/46/52/36/722465236.db2.gz DWDKBKORSKOXFA-HNNXBMFYSA-N 1 2 356.447 3.114 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745089822 722583408 /nfs/dbraw/zinc/58/34/08/722583408.db2.gz ROEIBNJWCSTYLJ-RDJZCZTQSA-N 1 2 364.511 3.069 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745089822 722583409 /nfs/dbraw/zinc/58/34/09/722583409.db2.gz ROEIBNJWCSTYLJ-RDJZCZTQSA-N 1 2 364.511 3.069 20 30 FGEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000749276368 722722917 /nfs/dbraw/zinc/72/29/17/722722917.db2.gz VXWCPXGQIHTLHK-HXUWFJFHSA-N 1 2 356.853 3.085 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799236 722741972 /nfs/dbraw/zinc/74/19/72/722741972.db2.gz VECKDIXQKOEVCV-LSDHHAIUSA-N 1 2 360.483 3.176 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799236 722741974 /nfs/dbraw/zinc/74/19/74/722741974.db2.gz VECKDIXQKOEVCV-LSDHHAIUSA-N 1 2 360.483 3.176 20 30 FGEDLO N#Cc1cccn(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1=O ZINC000750608549 722774719 /nfs/dbraw/zinc/77/47/19/722774719.db2.gz YHVPGJKNKKOUQG-UHFFFAOYSA-N 1 2 350.447 3.167 20 30 FGEDLO C#CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000756911839 722971784 /nfs/dbraw/zinc/97/17/84/722971784.db2.gz HZQFYYVVUPKLQS-UHFFFAOYSA-N 1 2 370.312 3.101 20 30 FGEDLO C#CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000756911839 722971785 /nfs/dbraw/zinc/97/17/85/722971785.db2.gz HZQFYYVVUPKLQS-UHFFFAOYSA-N 1 2 370.312 3.101 20 30 FGEDLO C[N@H+](CCC1CCOCC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000757841662 722980326 /nfs/dbraw/zinc/98/03/26/722980326.db2.gz UIAYDGRWTPFTSK-HNNXBMFYSA-N 1 2 357.479 3.221 20 30 FGEDLO C[N@@H+](CCC1CCOCC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000757841662 722980327 /nfs/dbraw/zinc/98/03/27/722980327.db2.gz UIAYDGRWTPFTSK-HNNXBMFYSA-N 1 2 357.479 3.221 20 30 FGEDLO CC(C)c1cn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=S)n1C ZINC000793590083 723452216 /nfs/dbraw/zinc/45/22/16/723452216.db2.gz KPHQGWRIFDMPSD-OAHLLOKOSA-N 1 2 357.483 3.057 20 30 FGEDLO CC(C)c1cn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=S)n1C ZINC000793590083 723452221 /nfs/dbraw/zinc/45/22/21/723452221.db2.gz KPHQGWRIFDMPSD-OAHLLOKOSA-N 1 2 357.483 3.057 20 30 FGEDLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638951 723537431 /nfs/dbraw/zinc/53/74/31/723537431.db2.gz IMDMUPJFDSODRZ-XJKSGUPXSA-N 1 2 357.483 3.066 20 30 FGEDLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638951 723537434 /nfs/dbraw/zinc/53/74/34/723537434.db2.gz IMDMUPJFDSODRZ-XJKSGUPXSA-N 1 2 357.483 3.066 20 30 FGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccnc(Br)c1 ZINC000794931620 723552260 /nfs/dbraw/zinc/55/22/60/723552260.db2.gz ZDIKNNUVCNLIIC-UHFFFAOYSA-N 1 2 371.242 3.366 20 30 FGEDLO C[N@@H+](Cc1cccc(Br)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611284 723583539 /nfs/dbraw/zinc/58/35/39/723583539.db2.gz BUWDPCABTVESRN-UHFFFAOYSA-N 1 2 372.266 3.061 20 30 FGEDLO C[N@H+](Cc1cccc(Br)c1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611284 723583541 /nfs/dbraw/zinc/58/35/41/723583541.db2.gz BUWDPCABTVESRN-UHFFFAOYSA-N 1 2 372.266 3.061 20 30 FGEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC(C)=C(Br)C1 ZINC000797419734 723815235 /nfs/dbraw/zinc/81/52/35/723815235.db2.gz PYVROUWSEOQKCT-UHFFFAOYSA-N 1 2 372.270 3.457 20 30 FGEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC(C)=C(Br)C1 ZINC000797419734 723815244 /nfs/dbraw/zinc/81/52/44/723815244.db2.gz PYVROUWSEOQKCT-UHFFFAOYSA-N 1 2 372.270 3.457 20 30 FGEDLO N#CCc1ccccc1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000777367923 724219961 /nfs/dbraw/zinc/21/99/61/724219961.db2.gz XXOJKDZGSNLBMW-UHFFFAOYSA-N 1 2 354.479 3.376 20 30 FGEDLO C[C@@H](C#N)OCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000801935548 724348159 /nfs/dbraw/zinc/34/81/59/724348159.db2.gz HCSGEMILIZIWGB-AWEZNQCLSA-N 1 2 356.297 3.082 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000801968563 724351983 /nfs/dbraw/zinc/35/19/83/724351983.db2.gz VHVCVVORPNKYEW-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000801968563 724351989 /nfs/dbraw/zinc/35/19/89/724351989.db2.gz VHVCVVORPNKYEW-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO Cc1cc(Br)cn2c(C=CC(=O)c3cc[nH]c(=O)c3)c[nH+]c12 ZINC000806555539 725133076 /nfs/dbraw/zinc/13/30/76/725133076.db2.gz UHBHJDDZRQIVSS-IHWYPQMZSA-N 1 2 358.195 3.402 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)C(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115086 725345762 /nfs/dbraw/zinc/34/57/62/725345762.db2.gz QIFBZNWGUIBLKI-GHMZBOCLSA-N 1 2 360.273 3.325 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)[C@@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115086 725345764 /nfs/dbraw/zinc/34/57/64/725345764.db2.gz QIFBZNWGUIBLKI-GHMZBOCLSA-N 1 2 360.273 3.325 20 30 FGEDLO CCC[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000811461478 725366961 /nfs/dbraw/zinc/36/69/61/725366961.db2.gz LVGUMRHQBVRTDJ-CQSZACIVSA-N 1 2 350.488 3.236 20 30 FGEDLO CCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000811461478 725366962 /nfs/dbraw/zinc/36/69/62/725366962.db2.gz LVGUMRHQBVRTDJ-CQSZACIVSA-N 1 2 350.488 3.236 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038151 725387871 /nfs/dbraw/zinc/38/78/71/725387871.db2.gz HRQQVRKVWOWMKJ-CJNGLKHVSA-N 1 2 351.853 3.107 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038151 725387872 /nfs/dbraw/zinc/38/78/72/725387872.db2.gz HRQQVRKVWOWMKJ-CJNGLKHVSA-N 1 2 351.853 3.107 20 30 FGEDLO COC(=O)c1ccc(Br)c(N[NH+]=C(C)c2ccc(N)nc2)c1 ZINC000814937910 727013096 /nfs/dbraw/zinc/01/30/96/727013096.db2.gz DNJHCIIMKAYURE-UHFFFAOYSA-N 1 2 363.215 3.049 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367580 730708670 /nfs/dbraw/zinc/70/86/70/730708670.db2.gz ADHOIUXJUVMZBZ-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367580 730708672 /nfs/dbraw/zinc/70/86/72/730708672.db2.gz ADHOIUXJUVMZBZ-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C)c1C ZINC000844371580 730709037 /nfs/dbraw/zinc/70/90/37/730709037.db2.gz ZPDGCBZMDIIECL-KRWDZBQOSA-N 1 2 357.479 3.149 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C)c1C ZINC000844371580 730709045 /nfs/dbraw/zinc/70/90/45/730709045.db2.gz ZPDGCBZMDIIECL-KRWDZBQOSA-N 1 2 357.479 3.149 20 30 FGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333518 731570877 /nfs/dbraw/zinc/57/08/77/731570877.db2.gz OEMZATURGHHYGW-UYAOXDASSA-N 1 2 355.869 3.196 20 30 FGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333518 731570879 /nfs/dbraw/zinc/57/08/79/731570879.db2.gz OEMZATURGHHYGW-UYAOXDASSA-N 1 2 355.869 3.196 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000858190095 732190873 /nfs/dbraw/zinc/19/08/73/732190873.db2.gz AXEMUSPKGXPMJI-UHFFFAOYSA-N 1 2 353.491 3.242 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1OC ZINC000862383657 732820688 /nfs/dbraw/zinc/82/06/88/732820688.db2.gz XDTCKLNJWPJNNG-CQSZACIVSA-N 1 2 368.861 3.186 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1OC ZINC000862383657 732820690 /nfs/dbraw/zinc/82/06/90/732820690.db2.gz XDTCKLNJWPJNNG-CQSZACIVSA-N 1 2 368.861 3.186 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000877479802 736225928 /nfs/dbraw/zinc/22/59/28/736225928.db2.gz YABLEQQJODNLIO-LBPRGKRZSA-N 1 2 353.260 3.343 20 30 FGEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000877546282 736682230 /nfs/dbraw/zinc/68/22/30/736682230.db2.gz PUKXYVOMFLBHQI-CQSZACIVSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1ccnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000877546282 736682232 /nfs/dbraw/zinc/68/22/32/736682232.db2.gz PUKXYVOMFLBHQI-CQSZACIVSA-N 1 2 373.254 3.073 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)CCC1 ZINC000886181855 739227475 /nfs/dbraw/zinc/22/74/75/739227475.db2.gz VIGNRWHICBNUKD-AWEZNQCLSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)CCC1 ZINC000886181855 739227483 /nfs/dbraw/zinc/22/74/83/739227483.db2.gz VIGNRWHICBNUKD-AWEZNQCLSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CCC1 ZINC000886193840 739227661 /nfs/dbraw/zinc/22/76/61/739227661.db2.gz DBRWNMMECJFYDU-OAHLLOKOSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CCC1 ZINC000886193840 739227664 /nfs/dbraw/zinc/22/76/64/739227664.db2.gz DBRWNMMECJFYDU-OAHLLOKOSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278586 739238535 /nfs/dbraw/zinc/23/85/35/739238535.db2.gz DDWBMSCFROFBMI-CHWSQXEVSA-N 1 2 354.376 3.077 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278586 739238539 /nfs/dbraw/zinc/23/85/39/739238539.db2.gz DDWBMSCFROFBMI-CHWSQXEVSA-N 1 2 354.376 3.077 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000886778755 739298373 /nfs/dbraw/zinc/29/83/73/739298373.db2.gz RZJFCZUMMAVGSB-UHFFFAOYSA-N 1 2 355.232 3.260 20 30 FGEDLO C#C[C@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(Br)cc1 ZINC000894870085 742345280 /nfs/dbraw/zinc/34/52/80/742345280.db2.gz IQEZRMRNGREVDZ-KRWDZBQOSA-N 1 2 362.271 3.146 20 30 FGEDLO N#Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ncc1Br ZINC000895347232 742400322 /nfs/dbraw/zinc/40/03/22/742400322.db2.gz SKPUGICXNZLSST-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000897588775 742693345 /nfs/dbraw/zinc/69/33/45/742693345.db2.gz NCRIYGNEGYGHHF-UHFFFAOYSA-N 1 2 355.463 3.440 20 30 FGEDLO C/C(=C\C(=O)Nc1ccccc1SC[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000900631237 743140738 /nfs/dbraw/zinc/14/07/38/743140738.db2.gz YUJBVPJOBYKHLX-SFKKXYGYSA-N 1 2 359.495 3.155 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2nc(Br)cs2)s1 ZINC000905080211 743992001 /nfs/dbraw/zinc/99/20/01/743992001.db2.gz JCTIFZMMKJEFNW-ONEGZZNKSA-N 1 2 358.286 3.320 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000915951004 758009974 /nfs/dbraw/zinc/00/99/74/758009974.db2.gz FYPXYJZUUMEHLW-VYDXJSESSA-N 1 2 359.543 3.327 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924770701 759384239 /nfs/dbraw/zinc/38/42/39/759384239.db2.gz JJYZPMYFOHNBLP-UHFFFAOYSA-N 1 2 350.532 3.483 20 30 FGEDLO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000924886046 759410957 /nfs/dbraw/zinc/41/09/57/759410957.db2.gz RDNNAHYGZUFUSC-GOSISDBHSA-N 1 2 358.463 3.049 20 30 FGEDLO N#CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCSCC1 ZINC000930472395 760620263 /nfs/dbraw/zinc/62/02/63/760620263.db2.gz JXBFYWMHALTSGZ-UHFFFAOYSA-N 1 2 350.513 3.104 20 30 FGEDLO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ncc(Br)cn1 ZINC000931868278 760987593 /nfs/dbraw/zinc/98/75/93/760987593.db2.gz IVWRUUYRZYFWRG-UHFFFAOYSA-N 1 2 361.243 3.012 20 30 FGEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ncc(Br)cn1 ZINC000931868278 760987594 /nfs/dbraw/zinc/98/75/94/760987594.db2.gz IVWRUUYRZYFWRG-UHFFFAOYSA-N 1 2 361.243 3.012 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932193640 761079346 /nfs/dbraw/zinc/07/93/46/761079346.db2.gz JGTJOGIHISPHEC-ZDUSSCGKSA-N 1 2 372.519 3.383 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932193640 761079358 /nfs/dbraw/zinc/07/93/58/761079358.db2.gz JGTJOGIHISPHEC-ZDUSSCGKSA-N 1 2 372.519 3.383 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1=O ZINC000932197864 761081396 /nfs/dbraw/zinc/08/13/96/761081396.db2.gz IMNQWBZGZMLURX-ZFWWWQNUSA-N 1 2 372.519 3.136 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](Cc3nccs3)C2)C1=O ZINC000932197864 761081409 /nfs/dbraw/zinc/08/14/09/761081409.db2.gz IMNQWBZGZMLURX-ZFWWWQNUSA-N 1 2 372.519 3.136 20 30 FGEDLO C#CCC1([NH2+]Cc2nnc(C(=O)Nc3ccc(CC)cc3)s2)CCC1 ZINC000933297637 761357191 /nfs/dbraw/zinc/35/71/91/761357191.db2.gz PATFYSFNYKNRQT-UHFFFAOYSA-N 1 2 354.479 3.388 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775913 761472057 /nfs/dbraw/zinc/47/20/57/761472057.db2.gz OPNPTNBKTLIZBZ-GUYCJALGSA-N 1 2 355.463 3.080 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775913 761472060 /nfs/dbraw/zinc/47/20/60/761472060.db2.gz OPNPTNBKTLIZBZ-GUYCJALGSA-N 1 2 355.463 3.080 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001001932319 765306685 /nfs/dbraw/zinc/30/66/85/765306685.db2.gz YLFBWWSDMRPJNZ-GQXMGIGRSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001008558604 765675826 /nfs/dbraw/zinc/67/58/26/765675826.db2.gz KKTCVXKBRXIBOP-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001008558604 765675828 /nfs/dbraw/zinc/67/58/28/765675828.db2.gz KKTCVXKBRXIBOP-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015828149 765811025 /nfs/dbraw/zinc/81/10/25/765811025.db2.gz BFUOYJKFCXNWRW-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015828149 765811034 /nfs/dbraw/zinc/81/10/34/765811034.db2.gz BFUOYJKFCXNWRW-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001023643423 766046444 /nfs/dbraw/zinc/04/64/44/766046444.db2.gz YBQCWTDOFXEJHO-FLOCWHQKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001023643423 766046451 /nfs/dbraw/zinc/04/64/51/766046451.db2.gz YBQCWTDOFXEJHO-FLOCWHQKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001039941527 766299656 /nfs/dbraw/zinc/29/96/56/766299656.db2.gz XQCKJWDNLJBVQR-GFEQUFNTSA-N 1 2 352.494 3.171 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001039941527 766299662 /nfs/dbraw/zinc/29/96/62/766299662.db2.gz XQCKJWDNLJBVQR-GFEQUFNTSA-N 1 2 352.494 3.171 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001046629230 766596354 /nfs/dbraw/zinc/59/63/54/766596354.db2.gz ALLTYBTVSNQDHO-XVGQJIODSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001046629230 766596360 /nfs/dbraw/zinc/59/63/60/766596360.db2.gz ALLTYBTVSNQDHO-XVGQJIODSA-N 1 2 366.864 3.151 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(C#N)c2)n1C ZINC000328636966 210119997 /nfs/dbraw/zinc/11/99/97/210119997.db2.gz OJWWJKJMSKCRMD-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(C#N)c2)n1C ZINC000328636966 210119999 /nfs/dbraw/zinc/11/99/99/210119999.db2.gz OJWWJKJMSKCRMD-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccccc3C#N)CC2)cs1 ZINC000075887674 493791624 /nfs/dbraw/zinc/79/16/24/493791624.db2.gz HLIXMTOBHFMWAQ-MRXNPFEDSA-N 1 2 370.522 3.430 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(C#N)CC3)n2)cc1 ZINC000057875803 493811569 /nfs/dbraw/zinc/81/15/69/493811569.db2.gz RQGXGKPACJAYDY-ZDUSSCGKSA-N 1 2 370.478 3.381 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152805 493833651 /nfs/dbraw/zinc/83/36/51/493833651.db2.gz ZHQOVFXLPCBRBA-VXKWHMMOSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152805 493833654 /nfs/dbraw/zinc/83/36/54/493833654.db2.gz ZHQOVFXLPCBRBA-VXKWHMMOSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1ccc2[nH]c(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2c1 ZINC000029459134 493840469 /nfs/dbraw/zinc/84/04/69/493840469.db2.gz WIEVVLDHLJZFRR-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000029851157 493861794 /nfs/dbraw/zinc/86/17/94/493861794.db2.gz CWUJZRKACUJYSY-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000029851157 493861798 /nfs/dbraw/zinc/86/17/98/493861798.db2.gz CWUJZRKACUJYSY-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO COc1ccc([C@H](NC(=O)c2cccc(CC#N)c2)c2[nH+]ccn2C)cc1 ZINC000049619564 493877908 /nfs/dbraw/zinc/87/79/08/493877908.db2.gz FTGLLQSYYPTSPW-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(Br)o1)C1(C#N)CCCCC1 ZINC000030215274 493880075 /nfs/dbraw/zinc/88/00/75/493880075.db2.gz KPHSELQVVDUPFN-UHFFFAOYSA-N 1 2 368.275 3.159 20 30 FGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)o1)C1(C#N)CCCCC1 ZINC000030215274 493880078 /nfs/dbraw/zinc/88/00/78/493880078.db2.gz KPHSELQVVDUPFN-UHFFFAOYSA-N 1 2 368.275 3.159 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000068884965 493888738 /nfs/dbraw/zinc/88/87/38/493888738.db2.gz MCJKEKXXBYOBRX-UHFFFAOYSA-N 1 2 359.433 3.412 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000050274141 493907404 /nfs/dbraw/zinc/90/74/04/493907404.db2.gz ANEUAXZBDRKIQO-GOSISDBHSA-N 1 2 371.481 3.183 20 30 FGEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000050274141 493907409 /nfs/dbraw/zinc/90/74/09/493907409.db2.gz ANEUAXZBDRKIQO-GOSISDBHSA-N 1 2 371.481 3.183 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000060481886 493938253 /nfs/dbraw/zinc/93/82/53/493938253.db2.gz INKRTUMTPYZUPJ-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)OCC)CC1 ZINC000007663566 494032994 /nfs/dbraw/zinc/03/29/94/494032994.db2.gz CZSPONKGEGBECX-UHFFFAOYSA-N 1 2 362.495 3.178 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccc(C#N)c1 ZINC000063299894 494042268 /nfs/dbraw/zinc/04/22/68/494042268.db2.gz BYSRGEHECQMZHE-KRWDZBQOSA-N 1 2 365.399 3.347 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccc(C#N)c1 ZINC000063299894 494042273 /nfs/dbraw/zinc/04/22/73/494042273.db2.gz BYSRGEHECQMZHE-KRWDZBQOSA-N 1 2 365.399 3.347 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccc(F)c2)c1 ZINC000580183584 505698560 /nfs/dbraw/zinc/69/85/60/505698560.db2.gz IJVCXUIQWYCQOX-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccc(F)c2)c1 ZINC000580183584 505698563 /nfs/dbraw/zinc/69/85/63/505698563.db2.gz IJVCXUIQWYCQOX-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(C#N)cc1 ZINC000063754588 494083489 /nfs/dbraw/zinc/08/34/89/494083489.db2.gz URPXBCGTDINJGH-UHFFFAOYSA-N 1 2 369.490 3.367 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(C#N)cc1 ZINC000063754588 494083494 /nfs/dbraw/zinc/08/34/94/494083494.db2.gz URPXBCGTDINJGH-UHFFFAOYSA-N 1 2 369.490 3.367 20 30 FGEDLO COCC[N@H+](Cc1csc(-c2cnn(C)c2)n1)Cc1ccc(C#N)cc1 ZINC000063753511 494084496 /nfs/dbraw/zinc/08/44/96/494084496.db2.gz VRMHAVHKIRMJCQ-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO COCC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)Cc1ccc(C#N)cc1 ZINC000063753511 494084500 /nfs/dbraw/zinc/08/45/00/494084500.db2.gz VRMHAVHKIRMJCQ-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)N(CCC#N)c2cccc(C)c2C)[nH+]1 ZINC000053562841 494148218 /nfs/dbraw/zinc/14/82/18/494148218.db2.gz BGUUYWMFIPNECO-UHFFFAOYSA-N 1 2 355.467 3.023 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000054538837 494245311 /nfs/dbraw/zinc/24/53/11/494245311.db2.gz VSDHQJSAJIJRNG-UHFFFAOYSA-N 1 2 353.426 3.128 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878764 494274674 /nfs/dbraw/zinc/27/46/74/494274674.db2.gz LTAWMCVYUYNGMO-INIZCTEOSA-N 1 2 359.433 3.203 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878764 494274677 /nfs/dbraw/zinc/27/46/77/494274677.db2.gz LTAWMCVYUYNGMO-INIZCTEOSA-N 1 2 359.433 3.203 20 30 FGEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000066163088 494281924 /nfs/dbraw/zinc/28/19/24/494281924.db2.gz VMEDPXRKKCVMMU-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CCO[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000072935698 494285852 /nfs/dbraw/zinc/28/58/52/494285852.db2.gz UKVWHNYBZFVKQE-NRFANRHFSA-N 1 2 367.493 3.108 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541396 494352121 /nfs/dbraw/zinc/35/21/21/494352121.db2.gz FYSUSZKQOPMEAP-UWJYYQICSA-N 1 2 350.466 3.111 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541396 494352123 /nfs/dbraw/zinc/35/21/23/494352123.db2.gz FYSUSZKQOPMEAP-UWJYYQICSA-N 1 2 350.466 3.111 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3O)CC2)cc1 ZINC000073439958 494371889 /nfs/dbraw/zinc/37/18/89/494371889.db2.gz AKNDGNIPLOQYIG-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3O)CC2)cc1 ZINC000073439958 494371892 /nfs/dbraw/zinc/37/18/92/494371892.db2.gz AKNDGNIPLOQYIG-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000056291355 494483260 /nfs/dbraw/zinc/48/32/60/494483260.db2.gz OLIUDBDTRCFZMZ-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000056291355 494483264 /nfs/dbraw/zinc/48/32/64/494483264.db2.gz OLIUDBDTRCFZMZ-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019475 494487419 /nfs/dbraw/zinc/48/74/19/494487419.db2.gz OMIFQGPMTUPSIX-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH+]1 ZINC000021487351 494497401 /nfs/dbraw/zinc/49/74/01/494497401.db2.gz RQKAPMSKNZKNBX-UHFFFAOYSA-N 1 2 373.507 3.300 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225926 494506217 /nfs/dbraw/zinc/50/62/17/494506217.db2.gz UGYQMWMQWLACCW-XJKSGUPXSA-N 1 2 366.868 3.417 20 30 FGEDLO C=CCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000046616562 494542687 /nfs/dbraw/zinc/54/26/87/494542687.db2.gz VQPKEZOCNKHXPU-UHFFFAOYSA-N 1 2 367.449 3.054 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000067656110 494598635 /nfs/dbraw/zinc/59/86/35/494598635.db2.gz AUHIUMHLUCTGCX-UHFFFAOYSA-N 1 2 352.434 3.336 20 30 FGEDLO C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1ccc(C#N)cc1 ZINC000115762026 494614859 /nfs/dbraw/zinc/61/48/59/494614859.db2.gz JLNKNWDFWBKYCN-ACJLOTCBSA-N 1 2 372.419 3.500 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000024771817 494664365 /nfs/dbraw/zinc/66/43/65/494664365.db2.gz YFXBTRLCBWKOIY-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000024771817 494664373 /nfs/dbraw/zinc/66/43/73/494664373.db2.gz YFXBTRLCBWKOIY-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000126184961 494665677 /nfs/dbraw/zinc/66/56/77/494665677.db2.gz YKZHHAINUJQPLL-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000126184961 494665686 /nfs/dbraw/zinc/66/56/86/494665686.db2.gz YKZHHAINUJQPLL-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423791 494738429 /nfs/dbraw/zinc/73/84/29/494738429.db2.gz PNGIOMAQCGKHPZ-GSVIPDFHSA-N 1 2 368.525 3.128 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4ccc(F)cc4)CC3)o2)c1 ZINC000075621980 494805011 /nfs/dbraw/zinc/80/50/11/494805011.db2.gz PNFJGQSXAWVEPK-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000093022387 494811638 /nfs/dbraw/zinc/81/16/38/494811638.db2.gz KYHGDIOVCKQRBM-UHFFFAOYSA-N 1 2 359.433 3.343 20 30 FGEDLO CC(C)S(=O)(=O)Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000126750461 494832281 /nfs/dbraw/zinc/83/22/81/494832281.db2.gz WBDLSYHSMGZPII-UHFFFAOYSA-N 1 2 368.462 3.141 20 30 FGEDLO C#CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000132188937 494835969 /nfs/dbraw/zinc/83/59/69/494835969.db2.gz NMKBXWIXZUBQKQ-IBGZPJMESA-N 1 2 363.392 3.091 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000121806091 494865169 /nfs/dbraw/zinc/86/51/69/494865169.db2.gz AZYQLOIJPONJKO-UHFFFAOYSA-N 1 2 372.432 3.164 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000027776025 494884797 /nfs/dbraw/zinc/88/47/97/494884797.db2.gz ZOZUUYVIASUIKA-UHFFFAOYSA-N 1 2 365.433 3.129 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000027776025 494884801 /nfs/dbraw/zinc/88/48/01/494884801.db2.gz ZOZUUYVIASUIKA-UHFFFAOYSA-N 1 2 365.433 3.129 20 30 FGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000577541114 505747861 /nfs/dbraw/zinc/74/78/61/505747861.db2.gz IZQWIJXOWABWAN-UHFFFAOYSA-N 1 2 353.445 3.107 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000109813957 494921916 /nfs/dbraw/zinc/92/19/16/494921916.db2.gz RVPPHRHAMCPFSU-UHFFFAOYSA-N 1 2 371.525 3.113 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000109813957 494921919 /nfs/dbraw/zinc/92/19/19/494921919.db2.gz RVPPHRHAMCPFSU-UHFFFAOYSA-N 1 2 371.525 3.113 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4[nH]ccc43)CC2)cc1 ZINC000110079589 494947032 /nfs/dbraw/zinc/94/70/32/494947032.db2.gz PRDYQIPRGNAEPM-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000096971770 495017789 /nfs/dbraw/zinc/01/77/89/495017789.db2.gz HHMRRBZHDAHQOI-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO C=CCCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000102232794 495126380 /nfs/dbraw/zinc/12/63/80/495126380.db2.gz HHDNXZFQIDCJBM-UHFFFAOYSA-N 1 2 368.456 3.130 20 30 FGEDLO C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000134770161 495198761 /nfs/dbraw/zinc/19/87/61/495198761.db2.gz JUYKRZPPBDYYLM-INIZCTEOSA-N 1 2 364.449 3.149 20 30 FGEDLO C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000134770161 495198764 /nfs/dbraw/zinc/19/87/64/495198764.db2.gz JUYKRZPPBDYYLM-INIZCTEOSA-N 1 2 364.449 3.149 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119669040 495214488 /nfs/dbraw/zinc/21/44/88/495214488.db2.gz YIVCWLDKBWBGEG-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000103490647 495242692 /nfs/dbraw/zinc/24/26/92/495242692.db2.gz KMTFMLZFGNLHLW-OXJNMPFZSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000103490647 495242698 /nfs/dbraw/zinc/24/26/98/495242698.db2.gz KMTFMLZFGNLHLW-OXJNMPFZSA-N 1 2 372.852 3.025 20 30 FGEDLO COc1cc[nH+]cc1COc1ccc(C#N)cc1I ZINC000577675416 505773221 /nfs/dbraw/zinc/77/32/21/505773221.db2.gz UWCOYCMFMWLZJL-UHFFFAOYSA-N 1 2 366.158 3.145 20 30 FGEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1C(C)C ZINC000568773331 505774621 /nfs/dbraw/zinc/77/46/21/505774621.db2.gz JVVUZZZNTUQCHD-UHFFFAOYSA-N 1 2 350.466 3.207 20 30 FGEDLO COC(=O)CC[N@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC000130045607 495333421 /nfs/dbraw/zinc/33/34/21/495333421.db2.gz DXRQJZFCZJVACK-UHFFFAOYSA-N 1 2 350.390 3.463 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1F ZINC000130045607 495333423 /nfs/dbraw/zinc/33/34/23/495333423.db2.gz DXRQJZFCZJVACK-UHFFFAOYSA-N 1 2 350.390 3.463 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c(F)c1 ZINC000105600828 495375591 /nfs/dbraw/zinc/37/55/91/495375591.db2.gz SLQNOZWIUDLSRZ-IBGZPJMESA-N 1 2 369.465 3.104 20 30 FGEDLO N#Cc1c(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn2ccccc12 ZINC000120511019 495395255 /nfs/dbraw/zinc/39/52/55/495395255.db2.gz WJQQXQIMPACVSP-UHFFFAOYSA-N 1 2 371.444 3.291 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000120562658 495405567 /nfs/dbraw/zinc/40/55/67/495405567.db2.gz CCPIYNPWWADGRN-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130576471 495413726 /nfs/dbraw/zinc/41/37/26/495413726.db2.gz SLCJCLZJHSLOHB-HNNXBMFYSA-N 1 2 357.483 3.352 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130576471 495413731 /nfs/dbraw/zinc/41/37/31/495413731.db2.gz SLCJCLZJHSLOHB-HNNXBMFYSA-N 1 2 357.483 3.352 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130920237 495467156 /nfs/dbraw/zinc/46/71/56/495467156.db2.gz PXAMMYWZKACGFP-PBHICJAKSA-N 1 2 356.401 3.149 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sccc3C#N)CCCCC2)no1 ZINC000138827902 495468629 /nfs/dbraw/zinc/46/86/29/495468629.db2.gz NCULDKBOROOLIE-UHFFFAOYSA-N 1 2 359.455 3.089 20 30 FGEDLO N#Cc1ccccc1OCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107181191 495523168 /nfs/dbraw/zinc/52/31/68/495523168.db2.gz DPPFYXYWTFHIES-UHFFFAOYSA-N 1 2 364.449 3.029 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000143087734 495530786 /nfs/dbraw/zinc/53/07/86/495530786.db2.gz RPQLUCQAJRZZMF-HOTGVXAUSA-N 1 2 353.466 3.287 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000143087734 495530789 /nfs/dbraw/zinc/53/07/89/495530789.db2.gz RPQLUCQAJRZZMF-HOTGVXAUSA-N 1 2 353.466 3.287 20 30 FGEDLO COC(=O)CC[N@H+](Cc1cccc(F)c1F)Cc1cc(C#N)ccc1OC ZINC000154181446 495536564 /nfs/dbraw/zinc/53/65/64/495536564.db2.gz JJYZTOBAFSMFDR-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1cccc(F)c1F)Cc1cc(C#N)ccc1OC ZINC000154181446 495536568 /nfs/dbraw/zinc/53/65/68/495536568.db2.gz JJYZTOBAFSMFDR-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000179355219 495556926 /nfs/dbraw/zinc/55/69/26/495556926.db2.gz KTDVKUDQHSAINT-MRXNPFEDSA-N 1 2 364.511 3.031 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000179355219 495556928 /nfs/dbraw/zinc/55/69/28/495556928.db2.gz KTDVKUDQHSAINT-MRXNPFEDSA-N 1 2 364.511 3.031 20 30 FGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179366061 495562978 /nfs/dbraw/zinc/56/29/78/495562978.db2.gz VADYKPGFVLUNNB-NEIHUHTASA-N 1 2 352.434 3.259 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185408414 495566407 /nfs/dbraw/zinc/56/64/07/495566407.db2.gz WLCLCSBTAWZGAE-JKSUJKDBSA-N 1 2 356.470 3.124 20 30 FGEDLO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000176391917 495632735 /nfs/dbraw/zinc/63/27/35/495632735.db2.gz KLMRFEUOYOWMJI-QGZVFWFLSA-N 1 2 374.444 3.400 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC4(CCCCC4)C3)C2=O)cc1 ZINC000182810828 495712236 /nfs/dbraw/zinc/71/22/36/495712236.db2.gz ZADBXNKGYVGVOC-LJQANCHMSA-N 1 2 353.466 3.089 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC4(CCCCC4)C3)C2=O)cc1 ZINC000182810828 495712238 /nfs/dbraw/zinc/71/22/38/495712238.db2.gz ZADBXNKGYVGVOC-LJQANCHMSA-N 1 2 353.466 3.089 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179981759 495810315 /nfs/dbraw/zinc/81/03/15/495810315.db2.gz VBKDNGAUIFXHPE-ZDUSSCGKSA-N 1 2 373.416 3.344 20 30 FGEDLO C=CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000577857369 505806302 /nfs/dbraw/zinc/80/63/02/505806302.db2.gz BUYOKOSVWVWUOI-SFHVURJKSA-N 1 2 369.465 3.267 20 30 FGEDLO C=CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000577857369 505806305 /nfs/dbraw/zinc/80/63/05/505806305.db2.gz BUYOKOSVWVWUOI-SFHVURJKSA-N 1 2 369.465 3.267 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000155095581 495834017 /nfs/dbraw/zinc/83/40/17/495834017.db2.gz GKZGWWKPQVHVHY-QZTJIDSGSA-N 1 2 366.490 3.302 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000155095581 495834024 /nfs/dbraw/zinc/83/40/24/495834024.db2.gz GKZGWWKPQVHVHY-QZTJIDSGSA-N 1 2 366.490 3.302 20 30 FGEDLO N#CCC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000151423461 495835671 /nfs/dbraw/zinc/83/56/71/495835671.db2.gz FNUXMGMOHLTJGN-OALUTQOASA-N 1 2 350.422 3.289 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183159646 495860558 /nfs/dbraw/zinc/86/05/58/495860558.db2.gz LZTCCIKXUJSBNM-UHFFFAOYSA-N 1 2 372.837 3.413 20 30 FGEDLO Cc1csc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177032162 495891682 /nfs/dbraw/zinc/89/16/82/495891682.db2.gz ZNHIEJPIBBZUEG-LSDHHAIUSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1csc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000177032162 495891690 /nfs/dbraw/zinc/89/16/90/495891690.db2.gz ZNHIEJPIBBZUEG-LSDHHAIUSA-N 1 2 372.519 3.370 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174325392 495911328 /nfs/dbraw/zinc/91/13/28/495911328.db2.gz KWZUTRWSIQFTJR-HUUCEWRRSA-N 1 2 372.469 3.209 20 30 FGEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)cc2C)c2[nH+]ccn2C)cc1 ZINC000160279502 495925895 /nfs/dbraw/zinc/92/58/95/495925895.db2.gz LTSXNFAJNYVDEX-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO COc1ccc(C#N)cc1CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000151889970 495983101 /nfs/dbraw/zinc/98/31/01/495983101.db2.gz NGOFIFVSIPJVLV-UHFFFAOYSA-N 1 2 364.449 3.268 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccc(C)cc2)c(C#N)c1C ZINC000177237895 495988793 /nfs/dbraw/zinc/98/87/93/495988793.db2.gz RXEVLFYXKAHKCF-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)c(C#N)c1C ZINC000177237895 495988796 /nfs/dbraw/zinc/98/87/96/495988796.db2.gz RXEVLFYXKAHKCF-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171702772 495996165 /nfs/dbraw/zinc/99/61/65/495996165.db2.gz NXCBCFJPUWJQNA-QGZVFWFLSA-N 1 2 369.494 3.451 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000177397026 496046884 /nfs/dbraw/zinc/04/68/84/496046884.db2.gz ZDTYIFWSMYLMLQ-INIZCTEOSA-N 1 2 353.447 3.296 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000177397026 496046888 /nfs/dbraw/zinc/04/68/88/496046888.db2.gz ZDTYIFWSMYLMLQ-INIZCTEOSA-N 1 2 353.447 3.296 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000571847608 505827077 /nfs/dbraw/zinc/82/70/77/505827077.db2.gz WDBXUCYLGQHIIQ-YSVLISHTSA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000571847608 505827080 /nfs/dbraw/zinc/82/70/80/505827080.db2.gz WDBXUCYLGQHIIQ-YSVLISHTSA-N 1 2 354.410 3.007 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571878230 505835897 /nfs/dbraw/zinc/83/58/97/505835897.db2.gz RYYXCVJPMZBTFM-JLSDUUJJSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571878230 505835899 /nfs/dbraw/zinc/83/58/99/505835899.db2.gz RYYXCVJPMZBTFM-JLSDUUJJSA-N 1 2 372.465 3.072 20 30 FGEDLO COc1cc(C#N)ccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000156709905 496317542 /nfs/dbraw/zinc/31/75/42/496317542.db2.gz RLWBKOZVRSVGRC-UHFFFAOYSA-N 1 2 362.311 3.409 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000184420184 496376743 /nfs/dbraw/zinc/37/67/43/496376743.db2.gz OXPFDKNFVJGTQQ-UHFFFAOYSA-N 1 2 362.389 3.021 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccc(F)cc3)CC2)cc1 ZINC000571893589 505840529 /nfs/dbraw/zinc/84/05/29/505840529.db2.gz QFAKEPFDZJULGP-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1ccco1 ZINC000184514890 496419697 /nfs/dbraw/zinc/41/96/97/496419697.db2.gz ZPMVATIGEINHBG-SFHVURJKSA-N 1 2 355.438 3.120 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccco1 ZINC000184552948 496435887 /nfs/dbraw/zinc/43/58/87/496435887.db2.gz RICHTODOHBHSRL-GOSISDBHSA-N 1 2 355.438 3.120 20 30 FGEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000178475741 496469630 /nfs/dbraw/zinc/46/96/30/496469630.db2.gz DFCDLASUIWUOJD-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(F)c(F)c1 ZINC000187766579 496562947 /nfs/dbraw/zinc/56/29/47/496562947.db2.gz JDLDBBZLWHCOIQ-INIZCTEOSA-N 1 2 372.462 3.373 20 30 FGEDLO CC(C)c1ccc([C@@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000157846230 496568707 /nfs/dbraw/zinc/56/87/07/496568707.db2.gz GUAYONKIPNKWHH-IBGZPJMESA-N 1 2 371.525 3.378 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000158014203 496608629 /nfs/dbraw/zinc/60/86/29/496608629.db2.gz ORLRXBKRYAVSGG-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[NH+]3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000158219372 496653185 /nfs/dbraw/zinc/65/31/85/496653185.db2.gz JLQAAZRHWAGTSL-UHFFFAOYSA-N 1 2 360.417 3.241 20 30 FGEDLO CC[C@H](C#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000179237611 496719211 /nfs/dbraw/zinc/71/92/11/496719211.db2.gz WDJRYPNEPFHWGL-CABCVRRESA-N 1 2 350.260 3.004 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3[nH+]ccn3CCc3ccccc3)CC2)cc1 ZINC000188245566 496722843 /nfs/dbraw/zinc/72/28/43/496722843.db2.gz ABJGBLXURKPVHH-UHFFFAOYSA-N 1 2 370.456 3.345 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194885560 496747815 /nfs/dbraw/zinc/74/78/15/496747815.db2.gz WKSQPGAFRSFLQV-CQSZACIVSA-N 1 2 366.421 3.129 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000569157226 505864814 /nfs/dbraw/zinc/86/48/14/505864814.db2.gz GBUBNZXYFPLIBN-UHFFFAOYSA-N 1 2 360.465 3.398 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277474884 496784611 /nfs/dbraw/zinc/78/46/11/496784611.db2.gz NPYPOJGWOHLQLT-KRWDZBQOSA-N 1 2 355.463 3.417 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000264117351 496815493 /nfs/dbraw/zinc/81/54/93/496815493.db2.gz LLJRBIFHXCQXEB-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)cc1C(F)(F)F ZINC000264429545 496898880 /nfs/dbraw/zinc/89/88/80/496898880.db2.gz QDMCCTSFWMOWOW-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273763430 496899151 /nfs/dbraw/zinc/89/91/51/496899151.db2.gz YKGKCNRBTPUDDN-GJZGRUSLSA-N 1 2 371.510 3.449 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247690442 496906413 /nfs/dbraw/zinc/90/64/13/496906413.db2.gz QTYDWGFVYKICQI-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247690442 496906418 /nfs/dbraw/zinc/90/64/18/496906418.db2.gz QTYDWGFVYKICQI-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247774071 496913460 /nfs/dbraw/zinc/91/34/60/496913460.db2.gz QAHNYPCZBSVSEP-PBHICJAKSA-N 1 2 369.469 3.283 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247774071 496913465 /nfs/dbraw/zinc/91/34/65/496913465.db2.gz QAHNYPCZBSVSEP-PBHICJAKSA-N 1 2 369.469 3.283 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000195479921 496935357 /nfs/dbraw/zinc/93/53/57/496935357.db2.gz DKCHLHDNACKTSY-OAHLLOKOSA-N 1 2 350.466 3.235 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000195479921 496935360 /nfs/dbraw/zinc/93/53/60/496935360.db2.gz DKCHLHDNACKTSY-OAHLLOKOSA-N 1 2 350.466 3.235 20 30 FGEDLO C=CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000274179908 497033986 /nfs/dbraw/zinc/03/39/86/497033986.db2.gz JISYCTFZWMISIO-UHFFFAOYSA-N 1 2 363.259 3.265 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278200697 497035911 /nfs/dbraw/zinc/03/59/11/497035911.db2.gz WLASGLHCWHYXNT-FRFSOERESA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278200697 497035916 /nfs/dbraw/zinc/03/59/16/497035916.db2.gz WLASGLHCWHYXNT-FRFSOERESA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000574919836 505883456 /nfs/dbraw/zinc/88/34/56/505883456.db2.gz NODPSUZDVNSNLB-GUYCJALGSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000574919836 505883459 /nfs/dbraw/zinc/88/34/59/505883459.db2.gz NODPSUZDVNSNLB-GUYCJALGSA-N 1 2 359.426 3.409 20 30 FGEDLO CC(C)(C)C1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265355443 497106341 /nfs/dbraw/zinc/10/63/41/497106341.db2.gz KXPFJFJEWCIUFP-MRXNPFEDSA-N 1 2 366.465 3.270 20 30 FGEDLO C[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000274676525 497142761 /nfs/dbraw/zinc/14/27/61/497142761.db2.gz IWCBEWSBNLMICR-INIZCTEOSA-N 1 2 354.498 3.256 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000189523783 497150483 /nfs/dbraw/zinc/15/04/83/497150483.db2.gz QQXODWKLYMOQPK-UHFFFAOYSA-N 1 2 366.465 3.313 20 30 FGEDLO N#Cc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000265748631 497174890 /nfs/dbraw/zinc/17/48/90/497174890.db2.gz DVYFADVFADSDIL-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccon1 ZINC000265774966 497179456 /nfs/dbraw/zinc/17/94/56/497179456.db2.gz JGVDKNJKSWIKKY-UHFFFAOYSA-N 1 2 358.467 3.337 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccon1 ZINC000265774966 497179460 /nfs/dbraw/zinc/17/94/60/497179460.db2.gz JGVDKNJKSWIKKY-UHFFFAOYSA-N 1 2 358.467 3.337 20 30 FGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000278669982 497184036 /nfs/dbraw/zinc/18/40/36/497184036.db2.gz QZPRSZDCUQCXFO-OCCSQVGLSA-N 1 2 352.265 3.443 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000274875086 497188312 /nfs/dbraw/zinc/18/83/12/497188312.db2.gz URCGSNTXAIRYCI-UHFFFAOYSA-N 1 2 354.498 3.342 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000574977217 505896214 /nfs/dbraw/zinc/89/62/14/505896214.db2.gz AQSUFAIOSPPFSX-QUCCMNQESA-N 1 2 373.378 3.080 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000574977217 505896217 /nfs/dbraw/zinc/89/62/17/505896217.db2.gz AQSUFAIOSPPFSX-QUCCMNQESA-N 1 2 373.378 3.080 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000249918395 497258521 /nfs/dbraw/zinc/25/85/21/497258521.db2.gz YBCQOOMKRRQASZ-UONOGXRCSA-N 1 2 366.303 3.278 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000249918395 497258527 /nfs/dbraw/zinc/25/85/27/497258527.db2.gz YBCQOOMKRRQASZ-UONOGXRCSA-N 1 2 366.303 3.278 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000275226839 497259884 /nfs/dbraw/zinc/25/98/84/497259884.db2.gz CPMFPWFLQYQUCM-SJLPKXTDSA-N 1 2 367.453 3.263 20 30 FGEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(=O)N1CCCCC1 ZINC000271137921 497270555 /nfs/dbraw/zinc/27/05/55/497270555.db2.gz SQBGZUUBBBJJBX-QGZVFWFLSA-N 1 2 373.497 3.068 20 30 FGEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(=O)N1CCCCC1 ZINC000271137921 497270558 /nfs/dbraw/zinc/27/05/58/497270558.db2.gz SQBGZUUBBBJJBX-QGZVFWFLSA-N 1 2 373.497 3.068 20 30 FGEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000271142408 497272322 /nfs/dbraw/zinc/27/23/22/497272322.db2.gz XUBZYDXBXZFMNR-UHFFFAOYSA-N 1 2 368.506 3.056 20 30 FGEDLO Cc1ccc([C@H]2OCCC[C@H]2C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 ZINC000266309513 497301537 /nfs/dbraw/zinc/30/15/37/497301537.db2.gz DREMEWJTOXGVMX-YKABMDOLSA-N 1 2 354.450 3.483 20 30 FGEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266508653 497360466 /nfs/dbraw/zinc/36/04/66/497360466.db2.gz DAQKTSWNCYEZKT-UHFFFAOYSA-N 1 2 368.437 3.162 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccc(F)cc4F)C3)n2c1 ZINC000190132926 497369437 /nfs/dbraw/zinc/36/94/37/497369437.db2.gz VADSCGQLTUJVIE-SFHVURJKSA-N 1 2 354.360 3.058 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245459214 497417023 /nfs/dbraw/zinc/41/70/23/497417023.db2.gz VEVCDRNPKYQUDP-LRDDRELGSA-N 1 2 369.494 3.006 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245459214 497417026 /nfs/dbraw/zinc/41/70/26/497417026.db2.gz VEVCDRNPKYQUDP-LRDDRELGSA-N 1 2 369.494 3.006 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000271778746 497447140 /nfs/dbraw/zinc/44/71/40/497447140.db2.gz KKLSHPRNGAYTCM-UHFFFAOYSA-N 1 2 365.264 3.228 20 30 FGEDLO C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000279538424 497466902 /nfs/dbraw/zinc/46/69/02/497466902.db2.gz SVXOXCYGEPEXSA-KSSFIOAISA-N 1 2 361.405 3.133 20 30 FGEDLO COc1ccnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1OC ZINC000190517680 497513462 /nfs/dbraw/zinc/51/34/62/497513462.db2.gz UDWQXTRYDHIBSJ-UHFFFAOYSA-N 1 2 353.422 3.014 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000279818447 497553256 /nfs/dbraw/zinc/55/32/56/497553256.db2.gz PDLMMCLNWHQSIL-UHFFFAOYSA-N 1 2 374.444 3.459 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000246009600 497596033 /nfs/dbraw/zinc/59/60/33/497596033.db2.gz YDYPTIDVYJCWJB-ZACQAIPSSA-N 1 2 360.502 3.239 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000246032322 497600140 /nfs/dbraw/zinc/60/01/40/497600140.db2.gz TWHOTLUGYQJMBJ-RHSMWYFYSA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000246032322 497600145 /nfs/dbraw/zinc/60/01/45/497600145.db2.gz TWHOTLUGYQJMBJ-RHSMWYFYSA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000246032334 497601133 /nfs/dbraw/zinc/60/11/33/497601133.db2.gz TWHOTLUGYQJMBJ-WMLDXEAASA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000246032334 497601136 /nfs/dbraw/zinc/60/11/36/497601136.db2.gz TWHOTLUGYQJMBJ-WMLDXEAASA-N 1 2 352.438 3.282 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC2(CCOCC2)O1 ZINC000279961784 497602860 /nfs/dbraw/zinc/60/28/60/497602860.db2.gz YJKDZIKXZUXGDZ-CYBMUJFWSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC2(CCOCC2)O1 ZINC000279961784 497602863 /nfs/dbraw/zinc/60/28/63/497602863.db2.gz YJKDZIKXZUXGDZ-CYBMUJFWSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c2[nH+]ccn21 ZINC000575091926 505918691 /nfs/dbraw/zinc/91/86/91/505918691.db2.gz FCXOLKMDFCUPBG-IUODEOHRSA-N 1 2 362.355 3.259 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000280098293 497649153 /nfs/dbraw/zinc/64/91/53/497649153.db2.gz OWVZACDVUKUAEL-LAUBAEHRSA-N 1 2 350.466 3.077 20 30 FGEDLO N#Cc1csc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272573346 497667123 /nfs/dbraw/zinc/66/71/23/497667123.db2.gz DGOFFGAOKQTGJG-OAHLLOKOSA-N 1 2 352.419 3.243 20 30 FGEDLO N#Cc1csc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272573346 497667126 /nfs/dbraw/zinc/66/71/26/497667126.db2.gz DGOFFGAOKQTGJG-OAHLLOKOSA-N 1 2 352.419 3.243 20 30 FGEDLO N#Cc1ccc(Cc2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272680308 497699641 /nfs/dbraw/zinc/69/96/41/497699641.db2.gz RUMFGLUUDLUNEZ-IBGZPJMESA-N 1 2 360.417 3.106 20 30 FGEDLO N#Cc1ccc(Cc2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272680308 497699647 /nfs/dbraw/zinc/69/96/47/497699647.db2.gz RUMFGLUUDLUNEZ-IBGZPJMESA-N 1 2 360.417 3.106 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C#N)ccc1OC ZINC000277003092 497712161 /nfs/dbraw/zinc/71/21/61/497712161.db2.gz AOWDPSMGPWMNIA-UHFFFAOYSA-N 1 2 355.442 3.270 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194743898 497757549 /nfs/dbraw/zinc/75/75/49/497757549.db2.gz LARXYIAFZMTODY-IRXDYDNUSA-N 1 2 363.461 3.349 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191305048 497774654 /nfs/dbraw/zinc/77/46/54/497774654.db2.gz QFFXMKQMAMYMDM-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191305048 497774656 /nfs/dbraw/zinc/77/46/56/497774656.db2.gz QFFXMKQMAMYMDM-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)sc1C ZINC000280530591 497782316 /nfs/dbraw/zinc/78/23/16/497782316.db2.gz SIXKCJBMQRXDOU-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)sc1C ZINC000280530591 497782318 /nfs/dbraw/zinc/78/23/18/497782318.db2.gz SIXKCJBMQRXDOU-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO NC(=[NH+]OCc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCO1 ZINC000284598579 497839074 /nfs/dbraw/zinc/83/90/74/497839074.db2.gz YIXXOJIHGQYYCF-GFCCVEGCSA-N 1 2 366.215 3.072 20 30 FGEDLO NC(=[NH+]OCc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCO1 ZINC000284598581 497839321 /nfs/dbraw/zinc/83/93/21/497839321.db2.gz YIXXOJIHGQYYCF-LBPRGKRZSA-N 1 2 366.215 3.072 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1)[NH+]1CCOCC1 ZINC000284651583 497855314 /nfs/dbraw/zinc/85/53/14/497855314.db2.gz MFBPJEOMKXUNPX-CQSZACIVSA-N 1 2 353.397 3.343 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000280681566 497855703 /nfs/dbraw/zinc/85/57/03/497855703.db2.gz ZMAVSSUPMFHXRA-UHFFFAOYSA-N 1 2 357.841 3.461 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000280681566 497855712 /nfs/dbraw/zinc/85/57/12/497855712.db2.gz ZMAVSSUPMFHXRA-UHFFFAOYSA-N 1 2 357.841 3.461 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329746637 497886333 /nfs/dbraw/zinc/88/63/33/497886333.db2.gz RXSKUQRHWDQJHI-PBHICJAKSA-N 1 2 356.474 3.138 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329746637 497886338 /nfs/dbraw/zinc/88/63/38/497886338.db2.gz RXSKUQRHWDQJHI-PBHICJAKSA-N 1 2 356.474 3.138 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC2(CCOCC2)C1 ZINC000329800154 497905087 /nfs/dbraw/zinc/90/50/87/497905087.db2.gz IGFHGAZILDZWKA-UHFFFAOYSA-N 1 2 354.454 3.179 20 30 FGEDLO Cc1ccccc1[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000329801444 497906666 /nfs/dbraw/zinc/90/66/66/497906666.db2.gz JPGBMZCRIJHTQJ-IYARVYRRSA-N 1 2 365.481 3.076 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000364360911 497920128 /nfs/dbraw/zinc/92/01/28/497920128.db2.gz JSIZQFONDRKNOT-GOSISDBHSA-N 1 2 357.885 3.436 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000280904717 497943233 /nfs/dbraw/zinc/94/32/33/497943233.db2.gz RMBIYELOZLWHSC-INIZCTEOSA-N 1 2 370.478 3.043 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000280904717 497943237 /nfs/dbraw/zinc/94/32/37/497943237.db2.gz RMBIYELOZLWHSC-INIZCTEOSA-N 1 2 370.478 3.043 20 30 FGEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC(OC2CCCCC2)CC1 ZINC000329905691 497948227 /nfs/dbraw/zinc/94/82/27/497948227.db2.gz RRZCDNVDFXBHKL-INIZCTEOSA-N 1 2 360.502 3.173 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329932187 497957619 /nfs/dbraw/zinc/95/76/19/497957619.db2.gz IOEYLZRSZCCSNS-SJORKVTESA-N 1 2 355.486 3.382 20 30 FGEDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1nc2c(s1)CCC2 ZINC000329938740 497961124 /nfs/dbraw/zinc/96/11/24/497961124.db2.gz ANWNBKLDFRHCQP-LJQANCHMSA-N 1 2 355.463 3.351 20 30 FGEDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1nc2c(s1)CCC2 ZINC000329938740 497961130 /nfs/dbraw/zinc/96/11/30/497961130.db2.gz ANWNBKLDFRHCQP-LJQANCHMSA-N 1 2 355.463 3.351 20 30 FGEDLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1nc2c(s1)CCC2 ZINC000329938739 497961308 /nfs/dbraw/zinc/96/13/08/497961308.db2.gz ANWNBKLDFRHCQP-IBGZPJMESA-N 1 2 355.463 3.351 20 30 FGEDLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1nc2c(s1)CCC2 ZINC000329938739 497961314 /nfs/dbraw/zinc/96/13/14/497961314.db2.gz ANWNBKLDFRHCQP-IBGZPJMESA-N 1 2 355.463 3.351 20 30 FGEDLO O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329967883 497973959 /nfs/dbraw/zinc/97/39/59/497973959.db2.gz VVNDYBCDWPWJRW-YLJYHZDGSA-N 1 2 366.465 3.118 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CC=CCC2)on1 ZINC000329972518 497976363 /nfs/dbraw/zinc/97/63/63/497976363.db2.gz ZCHKTPXHFYXYEK-IKGGRYGDSA-N 1 2 364.465 3.098 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H]2CC=CCC2)on1 ZINC000329972518 497976370 /nfs/dbraw/zinc/97/63/70/497976370.db2.gz ZCHKTPXHFYXYEK-IKGGRYGDSA-N 1 2 364.465 3.098 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000329974480 497976595 /nfs/dbraw/zinc/97/65/95/497976595.db2.gz ZDXJLZUMVXRNAF-BBRMVZONSA-N 1 2 358.417 3.002 20 30 FGEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCCCS3)c2)CC1 ZINC000329986274 497981253 /nfs/dbraw/zinc/98/12/53/497981253.db2.gz FBMCPLQBSCSQEB-SFHVURJKSA-N 1 2 361.511 3.224 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H](CC(N)=O)C1)C2 ZINC000329994410 497984352 /nfs/dbraw/zinc/98/43/52/497984352.db2.gz ZGZLHSBKKBVDEJ-KBPBESRZSA-N 1 2 361.490 3.047 20 30 FGEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000281043515 497998071 /nfs/dbraw/zinc/99/80/71/497998071.db2.gz QFFMZIFXHSHMSK-QGZVFWFLSA-N 1 2 354.454 3.389 20 30 FGEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000281043515 497998077 /nfs/dbraw/zinc/99/80/77/497998077.db2.gz QFFMZIFXHSHMSK-QGZVFWFLSA-N 1 2 354.454 3.389 20 30 FGEDLO CCOC1CC(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1 ZINC000285122871 497999980 /nfs/dbraw/zinc/99/99/80/497999980.db2.gz KLWDHMSHWROYQR-UHFFFAOYSA-N 1 2 355.438 3.113 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000330098875 498020690 /nfs/dbraw/zinc/02/06/90/498020690.db2.gz CINDGRKRKOUVJR-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000330098875 498020695 /nfs/dbraw/zinc/02/06/95/498020695.db2.gz CINDGRKRKOUVJR-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@]2(CCCOC2)O1 ZINC000330098707 498020775 /nfs/dbraw/zinc/02/07/75/498020775.db2.gz CFPUOCDFBMCLNH-XLIONFOSSA-N 1 2 358.482 3.292 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@]2(CCCOC2)O1 ZINC000330098707 498020782 /nfs/dbraw/zinc/02/07/82/498020782.db2.gz CFPUOCDFBMCLNH-XLIONFOSSA-N 1 2 358.482 3.292 20 30 FGEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000330118861 498028851 /nfs/dbraw/zinc/02/88/51/498028851.db2.gz ZCQUUAOHEMWAQN-INDMIFKZSA-N 1 2 371.529 3.256 20 30 FGEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000330118861 498028858 /nfs/dbraw/zinc/02/88/58/498028858.db2.gz ZCQUUAOHEMWAQN-INDMIFKZSA-N 1 2 371.529 3.256 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330134161 498034630 /nfs/dbraw/zinc/03/46/30/498034630.db2.gz RSJIHOHSXCYEHO-SPYBWZPUSA-N 1 2 366.889 3.455 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330134161 498034638 /nfs/dbraw/zinc/03/46/38/498034638.db2.gz RSJIHOHSXCYEHO-SPYBWZPUSA-N 1 2 366.889 3.455 20 30 FGEDLO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000330150810 498039967 /nfs/dbraw/zinc/03/99/67/498039967.db2.gz VWFHGCZCSLOPBB-INIZCTEOSA-N 1 2 352.438 3.449 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@]1=O ZINC000289191087 498053821 /nfs/dbraw/zinc/05/38/21/498053821.db2.gz AVVNGUZNJSDDRW-KGVVXCLESA-N 1 2 370.522 3.195 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[S@]1=O ZINC000289191087 498053823 /nfs/dbraw/zinc/05/38/23/498053823.db2.gz AVVNGUZNJSDDRW-KGVVXCLESA-N 1 2 370.522 3.195 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)nc4ccccc43)c[nH+]2)CCO1 ZINC000301329363 498059687 /nfs/dbraw/zinc/05/96/87/498059687.db2.gz AVUFRIMNFQKQOX-OAHLLOKOSA-N 1 2 359.433 3.339 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCOC3(CCCC3)C1)C2 ZINC000330218906 498066401 /nfs/dbraw/zinc/06/64/01/498066401.db2.gz JVIGUOORVPNLJI-CVEARBPZSA-N 1 2 374.529 3.491 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCOC3(CCCC3)C1)C2 ZINC000330218906 498066407 /nfs/dbraw/zinc/06/64/07/498066407.db2.gz JVIGUOORVPNLJI-CVEARBPZSA-N 1 2 374.529 3.491 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000330223012 498067322 /nfs/dbraw/zinc/06/73/22/498067322.db2.gz ABVVLDUXPVFROK-UFYCRDLUSA-N 1 2 368.481 3.490 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000330243332 498075849 /nfs/dbraw/zinc/07/58/49/498075849.db2.gz CPWIOIWBVLERTH-IRXDYDNUSA-N 1 2 354.454 3.348 20 30 FGEDLO CN(CC(=O)Nc1nc2c(s1)CCCC2)Cc1cn2c([nH+]1)CCCC2 ZINC000330265152 498085296 /nfs/dbraw/zinc/08/52/96/498085296.db2.gz YVHMKGDYWZZTLB-UHFFFAOYSA-N 1 2 359.499 3.275 20 30 FGEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330280743 498092371 /nfs/dbraw/zinc/09/23/71/498092371.db2.gz SXPMDUITMMNYBN-YOEHRIQHSA-N 1 2 358.442 3.193 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000289315930 498102612 /nfs/dbraw/zinc/10/26/12/498102612.db2.gz JPNPRJPTZBNSMM-MRXNPFEDSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000289315930 498102614 /nfs/dbraw/zinc/10/26/14/498102614.db2.gz JPNPRJPTZBNSMM-MRXNPFEDSA-N 1 2 354.479 3.450 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330327131 498105825 /nfs/dbraw/zinc/10/58/25/498105825.db2.gz KRBOQYQIPDUZIA-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)C(F)(F)F ZINC000330708935 498178772 /nfs/dbraw/zinc/17/87/72/498178772.db2.gz VXAFTJCTUSSWOF-CQSZACIVSA-N 1 2 355.364 3.487 20 30 FGEDLO CCc1nnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C#N)c1CC ZINC000301616131 498189485 /nfs/dbraw/zinc/18/94/85/498189485.db2.gz JOLCTOVHFOGTFY-UHFFFAOYSA-N 1 2 350.401 3.410 20 30 FGEDLO C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000301661875 498211854 /nfs/dbraw/zinc/21/18/54/498211854.db2.gz XWEIHFWQIPYZNB-ACJLOTCBSA-N 1 2 362.393 3.299 20 30 FGEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccn12 ZINC000575758392 505997854 /nfs/dbraw/zinc/99/78/54/505997854.db2.gz BFPLUMNEYBJYCT-UHFFFAOYSA-N 1 2 360.417 3.198 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301673539 498218010 /nfs/dbraw/zinc/21/80/10/498218010.db2.gz ZYFXCKLCHBYDIO-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO Cn1c2ccc(CNC(=O)COc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000289648281 498231670 /nfs/dbraw/zinc/23/16/70/498231670.db2.gz NPKIYVLEQKJNEO-UHFFFAOYSA-N 1 2 360.417 3.018 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000581525545 506007618 /nfs/dbraw/zinc/00/76/18/506007618.db2.gz WPDHMUWFKKVLNY-QGZVFWFLSA-N 1 2 362.424 3.047 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCOCC2)o1 ZINC000301829969 498284162 /nfs/dbraw/zinc/28/41/62/498284162.db2.gz RLIKUMUDUROUQZ-IBGZPJMESA-N 1 2 362.433 3.493 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139604 498317627 /nfs/dbraw/zinc/31/76/27/498317627.db2.gz RQGRNJWESJQTQZ-OALUTQOASA-N 1 2 350.422 3.187 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139604 498317631 /nfs/dbraw/zinc/31/76/31/498317631.db2.gz RQGRNJWESJQTQZ-OALUTQOASA-N 1 2 350.422 3.187 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc(F)c3)CC1)CCCC2 ZINC000301934031 498334808 /nfs/dbraw/zinc/33/48/08/498334808.db2.gz QEPUIPYALDVBFO-UHFFFAOYSA-N 1 2 350.441 3.293 20 30 FGEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000293384724 498365784 /nfs/dbraw/zinc/36/57/84/498365784.db2.gz KDONHPMJNXMXRL-UHFFFAOYSA-N 1 2 360.845 3.269 20 30 FGEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000293384724 498365788 /nfs/dbraw/zinc/36/57/88/498365788.db2.gz KDONHPMJNXMXRL-UHFFFAOYSA-N 1 2 360.845 3.269 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056568 498373840 /nfs/dbraw/zinc/37/38/40/498373840.db2.gz MIBGOLNSNXMIDA-UHFFFAOYSA-N 1 2 366.490 3.085 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000302067075 498393557 /nfs/dbraw/zinc/39/35/57/498393557.db2.gz WMZNMOQXWHQJNN-UHFFFAOYSA-N 1 2 363.465 3.309 20 30 FGEDLO C#CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282278119 498449107 /nfs/dbraw/zinc/44/91/07/498449107.db2.gz KOPCEFWCCKPPMK-GOSISDBHSA-N 1 2 363.461 3.251 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000365488104 498492621 /nfs/dbraw/zinc/49/26/21/498492621.db2.gz DAUMJXIKUTXIFU-XLIONFOSSA-N 1 2 358.449 3.024 20 30 FGEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302914868 498626457 /nfs/dbraw/zinc/62/64/57/498626457.db2.gz VHAPOOVVYFVRLQ-MRXNPFEDSA-N 1 2 369.494 3.323 20 30 FGEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302914868 498626462 /nfs/dbraw/zinc/62/64/62/498626462.db2.gz VHAPOOVVYFVRLQ-MRXNPFEDSA-N 1 2 369.494 3.323 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000332287293 498634677 /nfs/dbraw/zinc/63/46/77/498634677.db2.gz IUGXNLOMAOSTCU-DOMZBBRYSA-N 1 2 373.254 3.241 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000287158890 498652780 /nfs/dbraw/zinc/65/27/80/498652780.db2.gz ZBSQBDOBUCNMQD-GOSISDBHSA-N 1 2 373.250 3.081 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365840882 498665626 /nfs/dbraw/zinc/66/56/26/498665626.db2.gz OAMCVUBPTJPQNZ-JKSUJKDBSA-N 1 2 369.494 3.020 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365840882 498665630 /nfs/dbraw/zinc/66/56/30/498665630.db2.gz OAMCVUBPTJPQNZ-JKSUJKDBSA-N 1 2 369.494 3.020 20 30 FGEDLO Cn1c2ccc(CNC(=O)c3ccccc3OCC#N)cc2[nH+]c1C1CC1 ZINC000298361651 498746285 /nfs/dbraw/zinc/74/62/85/498746285.db2.gz LNDCHJPFCHKUIZ-UHFFFAOYSA-N 1 2 360.417 3.283 20 30 FGEDLO C#CCCOc1ccc(C[NH2+][C@@H](c2nnc(C)n2C)c2ccccc2)cc1 ZINC000363412762 498807962 /nfs/dbraw/zinc/80/79/62/498807962.db2.gz UEEFJPHXSONQQE-OAQYLSRUSA-N 1 2 360.461 3.405 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)(c3ccccn3)CC2)C1=O ZINC000298633869 498834076 /nfs/dbraw/zinc/83/40/76/498834076.db2.gz WCHFYKNLEGWILG-OAHLLOKOSA-N 1 2 370.453 3.081 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298696470 498852930 /nfs/dbraw/zinc/85/29/30/498852930.db2.gz BCHAUGIGHNPXFH-UHFFFAOYSA-N 1 2 363.465 3.285 20 30 FGEDLO CC[N@H+](CCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298772717 498874996 /nfs/dbraw/zinc/87/49/96/498874996.db2.gz PJJZNHNKPGSXNO-SFHVURJKSA-N 1 2 374.444 3.076 20 30 FGEDLO CC[N@@H+](CCc1ccccc1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298772717 498875002 /nfs/dbraw/zinc/87/50/02/498875002.db2.gz PJJZNHNKPGSXNO-SFHVURJKSA-N 1 2 374.444 3.076 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000573072823 506112169 /nfs/dbraw/zinc/11/21/69/506112169.db2.gz BXAFTPSTWIJRAS-HKUYNNGSSA-N 1 2 363.465 3.317 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000328763502 498930498 /nfs/dbraw/zinc/93/04/98/498930498.db2.gz FTEANVGOQGMSKI-FGTMMUONSA-N 1 2 360.502 3.410 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3noc(C4CCCCC4)n3)CC2)cc1 ZINC000328809501 498945734 /nfs/dbraw/zinc/94/57/34/498945734.db2.gz MBXLKCQORSKJHS-UHFFFAOYSA-N 1 2 365.481 3.307 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@H]2C=CCCC2)CCC(=O)N1C1CC1 ZINC000328998964 499011188 /nfs/dbraw/zinc/01/11/88/499011188.db2.gz GFLZIFOFRJUHPM-YYFZDKIDSA-N 1 2 356.470 3.318 20 30 FGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329062082 499031008 /nfs/dbraw/zinc/03/10/08/499031008.db2.gz ZLIVXNKWAXHXBP-OLMNPRSZSA-N 1 2 358.486 3.306 20 30 FGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329062082 499031013 /nfs/dbraw/zinc/03/10/13/499031013.db2.gz ZLIVXNKWAXHXBP-OLMNPRSZSA-N 1 2 358.486 3.306 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C12CCCCC2 ZINC000329087161 499038389 /nfs/dbraw/zinc/03/83/89/499038389.db2.gz HFICDBADJWZOFQ-DLBZAZTESA-N 1 2 350.503 3.326 20 30 FGEDLO O=C(NCCc1ccc2ccccc2n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329247536 499083304 /nfs/dbraw/zinc/08/33/04/499083304.db2.gz RVTVWSOHJXTKHP-FQEVSTJZSA-N 1 2 353.466 3.377 20 30 FGEDLO O=C(NCCc1ccc2ccccc2n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329247536 499083308 /nfs/dbraw/zinc/08/33/08/499083308.db2.gz RVTVWSOHJXTKHP-FQEVSTJZSA-N 1 2 353.466 3.377 20 30 FGEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329357914 499108159 /nfs/dbraw/zinc/10/81/59/499108159.db2.gz BHPLAHUYJXSFQC-ZDUSSCGKSA-N 1 2 361.442 3.392 20 30 FGEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329357914 499108161 /nfs/dbraw/zinc/10/81/61/499108161.db2.gz BHPLAHUYJXSFQC-ZDUSSCGKSA-N 1 2 361.442 3.392 20 30 FGEDLO COc1cccc([C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2nccn2C)c1 ZINC000366918927 499115248 /nfs/dbraw/zinc/11/52/48/499115248.db2.gz AUYCHHVGAUYTSZ-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO CC(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccncc2)no1 ZINC000366922735 499116368 /nfs/dbraw/zinc/11/63/68/499116368.db2.gz BMJMPBWYZRJDKP-SFHVURJKSA-N 1 2 373.420 3.138 20 30 FGEDLO CC(=O)N1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000329520716 499129025 /nfs/dbraw/zinc/12/90/25/499129025.db2.gz FMIQDRCXQYPOFI-ICSRJNTNSA-N 1 2 371.481 3.084 20 30 FGEDLO CC(=O)N1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c2ccccc21 ZINC000329520716 499129026 /nfs/dbraw/zinc/12/90/26/499129026.db2.gz FMIQDRCXQYPOFI-ICSRJNTNSA-N 1 2 371.481 3.084 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2C)c(C#N)c1C ZINC000367343129 499185161 /nfs/dbraw/zinc/18/51/61/499185161.db2.gz VIDYVWJVKBJNHI-MRXNPFEDSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)c(C#N)c1C ZINC000367343129 499185163 /nfs/dbraw/zinc/18/51/63/499185163.db2.gz VIDYVWJVKBJNHI-MRXNPFEDSA-N 1 2 357.483 3.054 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367871623 499240515 /nfs/dbraw/zinc/24/05/15/499240515.db2.gz SPPVWUKDUKUVLC-HOTGVXAUSA-N 1 2 350.422 3.228 20 30 FGEDLO N#CCC[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000370919888 499270639 /nfs/dbraw/zinc/27/06/39/499270639.db2.gz KOHLTODCPNNMMV-SFHVURJKSA-N 1 2 360.421 3.112 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc(OC)c1OC ZINC000371462718 499329926 /nfs/dbraw/zinc/32/99/26/499329926.db2.gz FBGCRRFYKIDJMZ-MRXNPFEDSA-N 1 2 355.438 3.143 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371543829 499339611 /nfs/dbraw/zinc/33/96/11/499339611.db2.gz PBEOBDKNPFTVNT-ZMOMAAQPSA-N 1 2 358.401 3.234 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371543829 499339613 /nfs/dbraw/zinc/33/96/13/499339613.db2.gz PBEOBDKNPFTVNT-ZMOMAAQPSA-N 1 2 358.401 3.234 20 30 FGEDLO C=CCc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc(OC)c1O ZINC000371679860 499354367 /nfs/dbraw/zinc/35/43/67/499354367.db2.gz UHSQJPYPYQBQDM-AWEZNQCLSA-N 1 2 356.470 3.298 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369127302 499368199 /nfs/dbraw/zinc/36/81/99/499368199.db2.gz VOJRGZAXVARYEN-HRAATJIYSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369127302 499368201 /nfs/dbraw/zinc/36/82/01/499368201.db2.gz VOJRGZAXVARYEN-HRAATJIYSA-N 1 2 368.456 3.250 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000369208276 499377461 /nfs/dbraw/zinc/37/74/61/499377461.db2.gz WMGJAHBECHNIPF-JOCHJYFZSA-N 1 2 374.488 3.206 20 30 FGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369207841 499377467 /nfs/dbraw/zinc/37/74/67/499377467.db2.gz RNWOCGLYEMIFNG-MSOLQXFVSA-N 1 2 362.477 3.205 20 30 FGEDLO CCCc1nc([C@H](NCc2c[nH+]c3ccc(C#N)cn23)c2ccccc2)no1 ZINC000369477526 499407062 /nfs/dbraw/zinc/40/70/62/499407062.db2.gz ARZIAHRIFOWFFU-HXUWFJFHSA-N 1 2 372.432 3.421 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CCC2 ZINC000373120874 499452457 /nfs/dbraw/zinc/45/24/57/499452457.db2.gz ATEDAQJJGSOLFI-GJZGRUSLSA-N 1 2 353.426 3.182 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc(C#N)ccc1Br ZINC000373773929 499487376 /nfs/dbraw/zinc/48/73/76/499487376.db2.gz DCTPOBOQXHZARH-UHFFFAOYSA-N 1 2 359.271 3.486 20 30 FGEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCc2ccccc2C1 ZINC000378455247 499518793 /nfs/dbraw/zinc/51/87/93/499518793.db2.gz RMBIAFCUFZOUQJ-QHCPKHFHSA-N 1 2 374.488 3.387 20 30 FGEDLO CCCCN(CCCC)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376593692 499621386 /nfs/dbraw/zinc/62/13/86/499621386.db2.gz ABEUITYCCYQGRD-UHFFFAOYSA-N 1 2 356.514 3.368 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595820 499621541 /nfs/dbraw/zinc/62/15/41/499621541.db2.gz RECBESZFYRFTCI-AWEZNQCLSA-N 1 2 370.403 3.244 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(OC)c1OC ZINC000377251250 499673966 /nfs/dbraw/zinc/67/39/66/499673966.db2.gz POYDKFMYQQYUNC-IBGZPJMESA-N 1 2 368.433 3.158 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(OC)c1OC ZINC000377251250 499673967 /nfs/dbraw/zinc/67/39/67/499673967.db2.gz POYDKFMYQQYUNC-IBGZPJMESA-N 1 2 368.433 3.158 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377710940 499723902 /nfs/dbraw/zinc/72/39/02/499723902.db2.gz XHNJIAMTENEVOO-HNNXBMFYSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC000377710940 499723904 /nfs/dbraw/zinc/72/39/04/499723904.db2.gz XHNJIAMTENEVOO-HNNXBMFYSA-N 1 2 361.511 3.378 20 30 FGEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000411392271 499733408 /nfs/dbraw/zinc/73/34/08/499733408.db2.gz RABDMLQXVLXNBH-UHFFFAOYSA-N 1 2 370.453 3.217 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@H](OC)C1 ZINC000570401444 506159536 /nfs/dbraw/zinc/15/95/36/506159536.db2.gz SRRYMQWEZXAJFH-HHXXYDBFSA-N 1 2 358.482 3.324 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@H](OC)C1 ZINC000570401447 506159668 /nfs/dbraw/zinc/15/96/68/506159668.db2.gz SRRYMQWEZXAJFH-VDZJLULYSA-N 1 2 358.482 3.324 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412033761 499814958 /nfs/dbraw/zinc/81/49/58/499814958.db2.gz JEILYVFYDDRAMK-KDOFPFPSSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c1C#N ZINC000412033761 499814959 /nfs/dbraw/zinc/81/49/59/499814959.db2.gz JEILYVFYDDRAMK-KDOFPFPSSA-N 1 2 372.513 3.123 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000412335332 499845772 /nfs/dbraw/zinc/84/57/72/499845772.db2.gz VPQJKTNQZLVTPD-UHFFFAOYSA-N 1 2 362.433 3.341 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929128 499960283 /nfs/dbraw/zinc/96/02/83/499960283.db2.gz LSXJPWUXGQDHAY-WBVHZDCISA-N 1 2 373.415 3.197 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929128 499960287 /nfs/dbraw/zinc/96/02/87/499960287.db2.gz LSXJPWUXGQDHAY-WBVHZDCISA-N 1 2 373.415 3.197 20 30 FGEDLO C=C[C@@H]1CCCCN1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428986147 499974418 /nfs/dbraw/zinc/97/44/18/499974418.db2.gz MUBHQPWRAZUINB-QGZVFWFLSA-N 1 2 362.543 3.354 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(CCC#N)CC2CC2)c1)[NH+]1CCOCC1 ZINC000429079397 499999107 /nfs/dbraw/zinc/99/91/07/499999107.db2.gz ARYTYKJNYGRYKR-MRXNPFEDSA-N 1 2 356.470 3.237 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000425083047 500015114 /nfs/dbraw/zinc/01/51/14/500015114.db2.gz HBPYPQPFCLFFPF-LBPRGKRZSA-N 1 2 350.344 3.302 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000425090888 500016579 /nfs/dbraw/zinc/01/65/79/500016579.db2.gz VYEWCVWLWTUIOK-GFCCVEGCSA-N 1 2 350.344 3.302 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000425090888 500016582 /nfs/dbraw/zinc/01/65/82/500016582.db2.gz VYEWCVWLWTUIOK-GFCCVEGCSA-N 1 2 350.344 3.302 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000579429833 506171919 /nfs/dbraw/zinc/17/19/19/506171919.db2.gz IYKPTCXZGDIHLY-ZBFHGGJFSA-N 1 2 364.515 3.232 20 30 FGEDLO CCOc1ccc(C2(CNc3cc(C)[nH+]cc3C#N)CCOCC2)cc1 ZINC000425218080 500047056 /nfs/dbraw/zinc/04/70/56/500047056.db2.gz XEDRRTLBTUVWQG-UHFFFAOYSA-N 1 2 351.450 3.243 20 30 FGEDLO COc1cc(CNc2cc(C)[nH+]cc2C#N)cc(Br)c1OC ZINC000425226441 500049316 /nfs/dbraw/zinc/04/93/16/500049316.db2.gz QGNOKOWXTYPMOD-UHFFFAOYSA-N 1 2 362.227 3.075 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000425282753 500064510 /nfs/dbraw/zinc/06/45/10/500064510.db2.gz NXAJJGOHEQYEQN-BBRMVZONSA-N 1 2 356.426 3.240 20 30 FGEDLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000429722141 500131794 /nfs/dbraw/zinc/13/17/94/500131794.db2.gz RZHRPMFNDQTSKL-LJQANCHMSA-N 1 2 362.433 3.458 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000582297935 506180729 /nfs/dbraw/zinc/18/07/29/506180729.db2.gz PSUAZXGBZWPTKI-FRYIKTPZSA-N 1 2 366.465 3.002 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1C ZINC000430256837 500216133 /nfs/dbraw/zinc/21/61/33/500216133.db2.gz MAGFSPBDUGWCPF-FIKGOQFSSA-N 1 2 360.498 3.132 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1C ZINC000430256837 500216135 /nfs/dbraw/zinc/21/61/35/500216135.db2.gz MAGFSPBDUGWCPF-FIKGOQFSSA-N 1 2 360.498 3.132 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cc1C#N ZINC000427784572 500432512 /nfs/dbraw/zinc/43/25/12/500432512.db2.gz YVWOZLCHIRFXJJ-UHFFFAOYSA-N 1 2 369.450 3.236 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)nn1 ZINC000424298430 500483371 /nfs/dbraw/zinc/48/33/71/500483371.db2.gz SHWJLAXDINXZLJ-OAHLLOKOSA-N 1 2 363.259 3.230 20 30 FGEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000432260752 500489932 /nfs/dbraw/zinc/48/99/32/500489932.db2.gz WAVXDVPPJFLXIN-QGZVFWFLSA-N 1 2 372.494 3.235 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428356871 500499622 /nfs/dbraw/zinc/49/96/22/500499622.db2.gz BNSNVLIOGDDFOY-INIZCTEOSA-N 1 2 358.401 3.292 20 30 FGEDLO CSCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1nnc2ccccn21 ZINC000428352818 500499646 /nfs/dbraw/zinc/49/96/46/500499646.db2.gz RFLDUDJUDIRUEX-INIZCTEOSA-N 1 2 355.442 3.324 20 30 FGEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nn1 ZINC000424564799 500517902 /nfs/dbraw/zinc/51/79/02/500517902.db2.gz MECODQQCVQIFJB-HNNXBMFYSA-N 1 2 373.888 3.027 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000432560121 500532527 /nfs/dbraw/zinc/53/25/27/500532527.db2.gz TWSCAFQEDCFBHJ-LJQANCHMSA-N 1 2 359.514 3.270 20 30 FGEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCC1(C)C ZINC000447424119 500604376 /nfs/dbraw/zinc/60/43/76/500604376.db2.gz VGRHTAWPKDBHQA-INIZCTEOSA-N 1 2 354.454 3.175 20 30 FGEDLO C=CC[C@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442829240 500631791 /nfs/dbraw/zinc/63/17/91/500631791.db2.gz UITVLUPHXLEUAR-AVRDEDQJSA-N 1 2 372.509 3.269 20 30 FGEDLO CC(C)c1ccc2ncc(C#N)c(N3CCN(Cc4[nH]cc[nH+]4)CC3)c2c1 ZINC000447668236 500642282 /nfs/dbraw/zinc/64/22/82/500642282.db2.gz BLHAWJYDDCHBHN-UHFFFAOYSA-N 1 2 360.465 3.275 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433299825 500665223 /nfs/dbraw/zinc/66/52/23/500665223.db2.gz ROJJJHNNGKBIED-CQSZACIVSA-N 1 2 350.260 3.036 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433299825 500665224 /nfs/dbraw/zinc/66/52/24/500665224.db2.gz ROJJJHNNGKBIED-CQSZACIVSA-N 1 2 350.260 3.036 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437630947 500671787 /nfs/dbraw/zinc/67/17/87/500671787.db2.gz QAODPARHSWPMDM-LJQANCHMSA-N 1 2 350.890 3.213 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000570674931 506213126 /nfs/dbraw/zinc/21/31/26/506213126.db2.gz PMTQGRGJJIJFJT-INIZCTEOSA-N 1 2 372.860 3.040 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1Br ZINC000448834329 500847342 /nfs/dbraw/zinc/84/73/42/500847342.db2.gz ISHXHIBIHKUUPC-CYBMUJFWSA-N 1 2 359.227 3.411 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccc[nH+]c3N(C)C)c2c1 ZINC000439099824 500855930 /nfs/dbraw/zinc/85/59/30/500855930.db2.gz RECORUJVVQDCRI-UHFFFAOYSA-N 1 2 363.421 3.197 20 30 FGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444676279 500877219 /nfs/dbraw/zinc/87/72/19/500877219.db2.gz NVFFBMYFRRMALZ-BZNIZROVSA-N 1 2 369.375 3.180 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580175 506222059 /nfs/dbraw/zinc/22/20/59/506222059.db2.gz SBWVDAQOXCJGIN-GXFFZTMASA-N 1 2 357.788 3.242 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580175 506222063 /nfs/dbraw/zinc/22/20/63/506222063.db2.gz SBWVDAQOXCJGIN-GXFFZTMASA-N 1 2 357.788 3.242 20 30 FGEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765602 500894965 /nfs/dbraw/zinc/89/49/65/500894965.db2.gz KWIGUXLBVPBJNT-QGZVFWFLSA-N 1 2 374.916 3.125 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439515 500897303 /nfs/dbraw/zinc/89/73/03/500897303.db2.gz MJHALTTUVZQHQQ-YWZLYKJASA-N 1 2 362.820 3.057 20 30 FGEDLO N#Cc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439515 500897306 /nfs/dbraw/zinc/89/73/06/500897306.db2.gz MJHALTTUVZQHQQ-YWZLYKJASA-N 1 2 362.820 3.057 20 30 FGEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444776075 500897423 /nfs/dbraw/zinc/89/74/23/500897423.db2.gz KUEDFBZOTBWAQT-CQSZACIVSA-N 1 2 362.905 3.027 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)c(Cl)c1 ZINC000444775343 500897504 /nfs/dbraw/zinc/89/75/04/500897504.db2.gz HYMZCEAFCUYOTD-UHFFFAOYSA-N 1 2 369.852 3.305 20 30 FGEDLO C=C1CC[NH+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000449022971 500900886 /nfs/dbraw/zinc/90/08/86/500900886.db2.gz MFRRCNJKLHUJTB-ZDUSSCGKSA-N 1 2 367.287 3.114 20 30 FGEDLO N#Cc1c(Br)cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000439578034 500915572 /nfs/dbraw/zinc/91/55/72/500915572.db2.gz FDGIDJPORSIEFM-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)CC2)c1 ZINC000435047046 500927046 /nfs/dbraw/zinc/92/70/46/500927046.db2.gz AKEFDCQCQYFTMQ-UITAMQMPSA-N 1 2 371.484 3.447 20 30 FGEDLO O[C@H]([C@@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665252 501054469 /nfs/dbraw/zinc/05/44/69/501054469.db2.gz CHTGPYBIHMGCME-PRHODGIISA-N 1 2 361.257 3.469 20 30 FGEDLO O[C@H]([C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665252 501054471 /nfs/dbraw/zinc/05/44/71/501054471.db2.gz CHTGPYBIHMGCME-PRHODGIISA-N 1 2 361.257 3.469 20 30 FGEDLO C=CCOc1ccc(CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000449866340 501111769 /nfs/dbraw/zinc/11/17/69/501111769.db2.gz CPBYCYRUPXSGIY-LJQANCHMSA-N 1 2 374.431 3.491 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)s1 ZINC000449899619 501121403 /nfs/dbraw/zinc/12/14/03/501121403.db2.gz BVZFRXQITIUVRC-FQEVSTJZSA-N 1 2 357.523 3.429 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc(C#N)c1Br ZINC000449935188 501129888 /nfs/dbraw/zinc/12/98/88/501129888.db2.gz PGAJTZFUINNCTR-UHFFFAOYSA-N 1 2 361.243 3.103 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(C#N)c(Cl)s2)cc1 ZINC000596063298 506236103 /nfs/dbraw/zinc/23/61/03/506236103.db2.gz LBRQFRYSIJHGAH-HNNXBMFYSA-N 1 2 362.886 3.462 20 30 FGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000441542754 501153483 /nfs/dbraw/zinc/15/34/83/501153483.db2.gz FYSCWZFULXDJLS-AWEZNQCLSA-N 1 2 354.385 3.489 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1(C)C ZINC000450648124 501175770 /nfs/dbraw/zinc/17/57/70/501175770.db2.gz OKQXXOBNCWNCRL-KRWDZBQOSA-N 1 2 362.393 3.336 20 30 FGEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)cc12 ZINC000446917063 501181158 /nfs/dbraw/zinc/18/11/58/501181158.db2.gz VBJLEYCWCOYDEU-UHFFFAOYSA-N 1 2 366.856 3.114 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450234447 501216023 /nfs/dbraw/zinc/21/60/23/501216023.db2.gz SUFHNSYULPBUTP-IRXDYDNUSA-N 1 2 360.820 3.163 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450234447 501216025 /nfs/dbraw/zinc/21/60/25/501216025.db2.gz SUFHNSYULPBUTP-IRXDYDNUSA-N 1 2 360.820 3.163 20 30 FGEDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)n1 ZINC000602636239 506241413 /nfs/dbraw/zinc/24/14/13/506241413.db2.gz XPXGDUDFYPNETD-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1cccc(C#N)n1 ZINC000602636239 506241417 /nfs/dbraw/zinc/24/14/17/506241417.db2.gz XPXGDUDFYPNETD-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455372466 501285191 /nfs/dbraw/zinc/28/51/91/501285191.db2.gz UQANWYUWXAGDPP-QGZVFWFLSA-N 1 2 372.469 3.038 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000455738736 501376415 /nfs/dbraw/zinc/37/64/15/501376415.db2.gz ZYCLLNJNFPUBQV-UHFFFAOYSA-N 1 2 372.472 3.325 20 30 FGEDLO N#CCc1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000455947462 501422893 /nfs/dbraw/zinc/42/28/93/501422893.db2.gz OBPGAPNBLNQFLP-KRWDZBQOSA-N 1 2 370.478 3.009 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc2n1[C@H](C)CO ZINC000456697902 501580318 /nfs/dbraw/zinc/58/03/18/501580318.db2.gz DPBKHBAUSMJNQP-CQSZACIVSA-N 1 2 374.444 3.440 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459111066 501595874 /nfs/dbraw/zinc/59/58/74/501595874.db2.gz LTPDBNZDROPNOU-XJKSGUPXSA-N 1 2 355.398 3.195 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000459308674 501628887 /nfs/dbraw/zinc/62/88/87/501628887.db2.gz OUPWZMSPRJYCDR-MRXNPFEDSA-N 1 2 364.405 3.317 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000459308674 501628891 /nfs/dbraw/zinc/62/88/91/501628891.db2.gz OUPWZMSPRJYCDR-MRXNPFEDSA-N 1 2 364.405 3.317 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000459335460 501634113 /nfs/dbraw/zinc/63/41/13/501634113.db2.gz AKDSETFZPUHNHG-IBGZPJMESA-N 1 2 351.406 3.338 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000459335460 501634116 /nfs/dbraw/zinc/63/41/16/501634116.db2.gz AKDSETFZPUHNHG-IBGZPJMESA-N 1 2 351.406 3.338 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459442913 501655051 /nfs/dbraw/zinc/65/50/51/501655051.db2.gz AOBIWHUQJJRFMV-CYBMUJFWSA-N 1 2 373.434 3.111 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000459471971 501659300 /nfs/dbraw/zinc/65/93/00/501659300.db2.gz WFAHJDJNRBUBCX-UKRRQHHQSA-N 1 2 356.451 3.039 20 30 FGEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)c(C)o1 ZINC000485214523 501757632 /nfs/dbraw/zinc/75/76/32/501757632.db2.gz VRQVMXWYKLUCEJ-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302599 501765118 /nfs/dbraw/zinc/76/51/18/501765118.db2.gz JDICKYTYMXTONG-UAGQMJEPSA-N 1 2 351.368 3.330 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302599 501765123 /nfs/dbraw/zinc/76/51/23/501765123.db2.gz JDICKYTYMXTONG-UAGQMJEPSA-N 1 2 351.368 3.330 20 30 FGEDLO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCn2cc[nH+]c2C1 ZINC000460378527 501809262 /nfs/dbraw/zinc/80/92/62/501809262.db2.gz YDBDILVQTNHFFZ-UHFFFAOYSA-N 1 2 368.510 3.308 20 30 FGEDLO CN(C)c1ccc2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000470837873 501824381 /nfs/dbraw/zinc/82/43/81/501824381.db2.gz YFENDLIEIFTLFT-GOSISDBHSA-N 1 2 369.428 3.493 20 30 FGEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)c1 ZINC000485651875 501888092 /nfs/dbraw/zinc/88/80/92/501888092.db2.gz AXLGMDADUQKOGI-UHFFFAOYSA-N 1 2 359.389 3.105 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)c1C ZINC000461206512 502038546 /nfs/dbraw/zinc/03/85/46/502038546.db2.gz HNXHJSQZCHZYFA-UHFFFAOYSA-N 1 2 352.419 3.162 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464740007 502079218 /nfs/dbraw/zinc/07/92/18/502079218.db2.gz RBJNKMUNCTVPAO-QGZVFWFLSA-N 1 2 373.460 3.262 20 30 FGEDLO CCCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000468499042 502082134 /nfs/dbraw/zinc/08/21/34/502082134.db2.gz URLWXTUHHGLHRJ-UHFFFAOYSA-N 1 2 354.498 3.356 20 30 FGEDLO CNc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000582556047 506294061 /nfs/dbraw/zinc/29/40/61/506294061.db2.gz SBMWEZJULCCPAX-UHFFFAOYSA-N 1 2 368.868 3.211 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1OC ZINC000482596278 502121417 /nfs/dbraw/zinc/12/14/17/502121417.db2.gz ZXMUJJXYUWWAKY-LLVKDONJSA-N 1 2 372.259 3.016 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C(=O)OC)cc1OC ZINC000482596278 502121421 /nfs/dbraw/zinc/12/14/21/502121421.db2.gz ZXMUJJXYUWWAKY-LLVKDONJSA-N 1 2 372.259 3.016 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475436838 502171214 /nfs/dbraw/zinc/17/12/14/502171214.db2.gz DBSLTHXNPJUNEB-UHFFFAOYSA-N 1 2 356.332 3.142 20 30 FGEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)c1cccc(C#N)c1 ZINC000461782209 502199273 /nfs/dbraw/zinc/19/92/73/502199273.db2.gz AAKQHUSNRSSXMY-LIRRHRJNSA-N 1 2 362.408 3.440 20 30 FGEDLO COc1ccc([C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000461790200 502201842 /nfs/dbraw/zinc/20/18/42/502201842.db2.gz XPJQSORBGMQMSG-YWZLYKJASA-N 1 2 374.444 3.310 20 30 FGEDLO C=CCNC(=O)c1ccc(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)nc1 ZINC000486789920 502262265 /nfs/dbraw/zinc/26/22/65/502262265.db2.gz DTCABJKDJUUYBM-UHFFFAOYSA-N 1 2 373.460 3.054 20 30 FGEDLO C[C@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000462075046 502296017 /nfs/dbraw/zinc/29/60/17/502296017.db2.gz PVDXYTXAXIUWTQ-UGSOOPFHSA-N 1 2 357.404 3.359 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469252088 502351545 /nfs/dbraw/zinc/35/15/45/502351545.db2.gz OIMMNKYCPDBIQP-QUCCMNQESA-N 1 2 365.433 3.037 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)cn21 ZINC000469283510 502361044 /nfs/dbraw/zinc/36/10/44/502361044.db2.gz NRANEYMZIRUSTA-UHFFFAOYSA-N 1 2 357.373 3.099 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000480688381 502642584 /nfs/dbraw/zinc/64/25/84/502642584.db2.gz ZWRVAOTYUVVNRN-NRFANRHFSA-N 1 2 373.500 3.398 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000477053090 502663547 /nfs/dbraw/zinc/66/35/47/502663547.db2.gz YVFXBDNKOYYMKL-UHFFFAOYSA-N 1 2 371.440 3.493 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000477053090 502663552 /nfs/dbraw/zinc/66/35/52/502663552.db2.gz YVFXBDNKOYYMKL-UHFFFAOYSA-N 1 2 371.440 3.493 20 30 FGEDLO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cc1 ZINC000470119002 502667185 /nfs/dbraw/zinc/66/71/85/502667185.db2.gz DWJPXIJWEMSHAS-UHFFFAOYSA-N 1 2 370.478 3.475 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602856757 506330113 /nfs/dbraw/zinc/33/01/13/506330113.db2.gz RAPFDNJTWHPTBW-INIZCTEOSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602856757 506330115 /nfs/dbraw/zinc/33/01/15/506330115.db2.gz RAPFDNJTWHPTBW-INIZCTEOSA-N 1 2 354.479 3.450 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC(C)(C)CCC#N)CC2)c1 ZINC000513136640 502860781 /nfs/dbraw/zinc/86/07/81/502860781.db2.gz ZJRODNHVVFFDRU-KRWDZBQOSA-N 1 2 372.513 3.413 20 30 FGEDLO N#C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC000489052973 502869026 /nfs/dbraw/zinc/86/90/26/502869026.db2.gz PZFMZKSEZYMXMD-CTNGQTDRSA-N 1 2 371.444 3.321 20 30 FGEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897572 506341408 /nfs/dbraw/zinc/34/14/08/506341408.db2.gz YUSUFCDKCCLDOO-INIZCTEOSA-N 1 2 373.464 3.171 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489564807 502987200 /nfs/dbraw/zinc/98/72/00/502987200.db2.gz GOFZGNZXFQRZLB-YLJYHZDGSA-N 1 2 362.477 3.464 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)cc1F ZINC000489619113 502999657 /nfs/dbraw/zinc/99/96/57/502999657.db2.gz GOBQFVBWRRWAFT-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000506114084 503050294 /nfs/dbraw/zinc/05/02/94/503050294.db2.gz WQOJYIDJJJLGGU-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000514098373 503087362 /nfs/dbraw/zinc/08/73/62/503087362.db2.gz GHZMKSPVFZQKOS-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000490053716 503099348 /nfs/dbraw/zinc/09/93/48/503099348.db2.gz MIBOVUBHKNFBFN-WMZOPIPTSA-N 1 2 351.878 3.014 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000490053716 503099356 /nfs/dbraw/zinc/09/93/56/503099356.db2.gz MIBOVUBHKNFBFN-WMZOPIPTSA-N 1 2 351.878 3.014 20 30 FGEDLO O=C(NCC#Cc1cccc(F)c1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000510883478 503210362 /nfs/dbraw/zinc/21/03/62/503210362.db2.gz OFCXUWJAOKRLPV-UHFFFAOYSA-N 1 2 366.440 3.062 20 30 FGEDLO COc1cc(Br)c(C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000510886248 503211345 /nfs/dbraw/zinc/21/13/45/503211345.db2.gz CHZOKSOHXKHOAO-UHFFFAOYSA-N 1 2 357.223 3.294 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc1 ZINC000498584352 503220412 /nfs/dbraw/zinc/22/04/12/503220412.db2.gz QPLWSXRYSOBDED-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510953144 503224729 /nfs/dbraw/zinc/22/47/29/503224729.db2.gz RNQSSOHCDZPMJL-IBGZPJMESA-N 1 2 373.472 3.467 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507294663 503271701 /nfs/dbraw/zinc/27/17/01/503271701.db2.gz DWZBWBJAMGWBJG-HNNXBMFYSA-N 1 2 368.868 3.361 20 30 FGEDLO COc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507788325 503365716 /nfs/dbraw/zinc/36/57/16/503365716.db2.gz LYRCJZQIBWPDNG-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503332015 503390901 /nfs/dbraw/zinc/39/09/01/503390901.db2.gz XYMWVWUVMPORJW-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503332015 503390903 /nfs/dbraw/zinc/39/09/03/503390903.db2.gz XYMWVWUVMPORJW-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2Cc3cccc(Br)c3C[C@H]2CC)C1=O ZINC000499716907 503464779 /nfs/dbraw/zinc/46/47/79/503464779.db2.gz BTMLKWCKUMXLOI-PBHICJAKSA-N 1 2 363.299 3.373 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2Cc3cccc(Br)c3C[C@H]2CC)C1=O ZINC000499716907 503464781 /nfs/dbraw/zinc/46/47/81/503464781.db2.gz BTMLKWCKUMXLOI-PBHICJAKSA-N 1 2 363.299 3.373 20 30 FGEDLO Cc1onc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C#N ZINC000499800638 503485484 /nfs/dbraw/zinc/48/54/84/503485484.db2.gz NLMRWENFUPFLMU-UHFFFAOYSA-N 1 2 361.405 3.236 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000512212357 503487937 /nfs/dbraw/zinc/48/79/37/503487937.db2.gz NMSIXIAWCMIYAY-AWEZNQCLSA-N 1 2 371.437 3.259 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000512212357 503487940 /nfs/dbraw/zinc/48/79/40/503487940.db2.gz NMSIXIAWCMIYAY-AWEZNQCLSA-N 1 2 371.437 3.259 20 30 FGEDLO N#C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000499950403 503519675 /nfs/dbraw/zinc/51/96/75/503519675.db2.gz ZMLIRIKPWWPGTE-LJQANCHMSA-N 1 2 369.852 3.167 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000499985008 503527219 /nfs/dbraw/zinc/52/72/19/503527219.db2.gz BIYKETBWFKENTD-GOSISDBHSA-N 1 2 371.506 3.428 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(OCC)cc3)n2)C1=O ZINC000499985008 503527224 /nfs/dbraw/zinc/52/72/24/503527224.db2.gz BIYKETBWFKENTD-GOSISDBHSA-N 1 2 371.506 3.428 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000512450048 503555898 /nfs/dbraw/zinc/55/58/98/503555898.db2.gz OBCRHCONCTTYMJ-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000509030941 503625784 /nfs/dbraw/zinc/62/57/84/503625784.db2.gz PMBWFPANGCFCMY-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000512828505 503641542 /nfs/dbraw/zinc/64/15/42/503641542.db2.gz PGBSCGRNAQVARE-KSSFIOAISA-N 1 2 369.490 3.120 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000512828505 503641545 /nfs/dbraw/zinc/64/15/45/503641545.db2.gz PGBSCGRNAQVARE-KSSFIOAISA-N 1 2 369.490 3.120 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000533130908 503740339 /nfs/dbraw/zinc/74/03/39/503740339.db2.gz CAEYLRRHMAZJCR-IKGGRYGDSA-N 1 2 370.497 3.452 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C#N)C3CCCCC3)c2)cc[nH+]1 ZINC000543587968 503821609 /nfs/dbraw/zinc/82/16/09/503821609.db2.gz NGWWAURYAVMDEL-LJQANCHMSA-N 1 2 363.465 3.021 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533524145 503875006 /nfs/dbraw/zinc/87/50/06/503875006.db2.gz DMTNPJLNVADFQH-LPHOPBHVSA-N 1 2 367.497 3.108 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533524145 503875008 /nfs/dbraw/zinc/87/50/08/503875008.db2.gz DMTNPJLNVADFQH-LPHOPBHVSA-N 1 2 367.497 3.108 20 30 FGEDLO C=CCCO[C@H](C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546821081 503890383 /nfs/dbraw/zinc/89/03/83/503890383.db2.gz RMNMLEZFHLFTND-GFCCVEGCSA-N 1 2 366.259 3.003 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000518040940 503896584 /nfs/dbraw/zinc/89/65/84/503896584.db2.gz ORRVGMHZALGORK-UHFFFAOYSA-N 1 2 364.380 3.495 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@]3(CCCCO3)[C@H]1C#N)C2 ZINC000530309185 503919499 /nfs/dbraw/zinc/91/94/99/503919499.db2.gz HTHMZNWHGMOHAN-FPDPHYFHSA-N 1 2 370.497 3.092 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@]3(CCCCO3)[C@H]1C#N)CC2 ZINC000530309185 503919504 /nfs/dbraw/zinc/91/95/04/503919504.db2.gz HTHMZNWHGMOHAN-FPDPHYFHSA-N 1 2 370.497 3.092 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024168 503976935 /nfs/dbraw/zinc/97/69/35/503976935.db2.gz PRNHPVGWPHABNE-QGZVFWFLSA-N 1 2 366.465 3.241 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533882202 503978696 /nfs/dbraw/zinc/97/86/96/503978696.db2.gz SSFDASRSCSAZPG-UHFFFAOYSA-N 1 2 352.438 3.316 20 30 FGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000537660440 503996143 /nfs/dbraw/zinc/99/61/43/503996143.db2.gz FGSKWJKOOIKWHI-NSHDSACASA-N 1 2 351.244 3.344 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000537660440 503996144 /nfs/dbraw/zinc/99/61/44/503996144.db2.gz FGSKWJKOOIKWHI-NSHDSACASA-N 1 2 351.244 3.344 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)cc[nH+]1 ZINC000544499900 504153863 /nfs/dbraw/zinc/15/38/63/504153863.db2.gz SWYKFDPEOUPTLK-UHFFFAOYSA-N 1 2 361.380 3.082 20 30 FGEDLO Fc1ccc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000538219985 504166620 /nfs/dbraw/zinc/16/66/20/504166620.db2.gz RMKIQVCOVLWKPT-UHFFFAOYSA-N 1 2 363.358 3.413 20 30 FGEDLO Cc1ccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1Oc1cc[nH+]cc1 ZINC000531119916 504195897 /nfs/dbraw/zinc/19/58/97/504195897.db2.gz FVMBRFHARGWORL-KRWDZBQOSA-N 1 2 364.449 3.148 20 30 FGEDLO N#CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000534805096 504246724 /nfs/dbraw/zinc/24/67/24/504246724.db2.gz JJUTUVAYWOBQKD-KRWDZBQOSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000534805096 504246728 /nfs/dbraw/zinc/24/67/28/504246728.db2.gz JJUTUVAYWOBQKD-KRWDZBQOSA-N 1 2 369.415 3.425 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538534593 504276815 /nfs/dbraw/zinc/27/68/15/504276815.db2.gz LLOQUXFKMCLHNE-DLBZAZTESA-N 1 2 374.909 3.498 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538534593 504276818 /nfs/dbraw/zinc/27/68/18/504276818.db2.gz LLOQUXFKMCLHNE-DLBZAZTESA-N 1 2 374.909 3.498 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547995147 504286677 /nfs/dbraw/zinc/28/66/77/504286677.db2.gz RQBCGENRGCPIDI-UONOGXRCSA-N 1 2 355.467 3.414 20 30 FGEDLO C=CCSCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000541888238 504291950 /nfs/dbraw/zinc/29/19/50/504291950.db2.gz SFPKKRVLLASSRC-INIZCTEOSA-N 1 2 358.511 3.438 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000538749821 504357090 /nfs/dbraw/zinc/35/70/90/504357090.db2.gz HTAQNBHAWXAWNZ-AWEZNQCLSA-N 1 2 357.841 3.080 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000538749821 504357095 /nfs/dbraw/zinc/35/70/95/504357095.db2.gz HTAQNBHAWXAWNZ-AWEZNQCLSA-N 1 2 357.841 3.080 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000520348757 504474702 /nfs/dbraw/zinc/47/47/02/504474702.db2.gz VCOHAZWXEKSDTF-ZANVPECISA-N 1 2 360.215 3.345 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1C#N ZINC000548630553 504502644 /nfs/dbraw/zinc/50/26/44/504502644.db2.gz JRDMIECPNUNDOZ-LJQANCHMSA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000548630553 504502648 /nfs/dbraw/zinc/50/26/48/504502648.db2.gz JRDMIECPNUNDOZ-LJQANCHMSA-N 1 2 352.434 3.043 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccon2)c1C#N ZINC000542656798 504566108 /nfs/dbraw/zinc/56/61/08/504566108.db2.gz VIWATGWVLJAPLH-ZDUSSCGKSA-N 1 2 355.442 3.369 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc(COC)c(C#N)c2)c[nH+]1 ZINC000529208737 504584583 /nfs/dbraw/zinc/58/45/83/504584583.db2.gz CIWPVOMMOOATQW-UHFFFAOYSA-N 1 2 367.453 3.268 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000548859438 504594997 /nfs/dbraw/zinc/59/49/97/504594997.db2.gz DFKAICZGFUZJAW-UHFFFAOYSA-N 1 2 357.255 3.296 20 30 FGEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588940 504617753 /nfs/dbraw/zinc/61/77/53/504617753.db2.gz WNGBNWOYSNBBDI-KRWDZBQOSA-N 1 2 357.498 3.100 20 30 FGEDLO Cc1[nH+]c2ccccn2c1CNc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542924051 504659552 /nfs/dbraw/zinc/65/95/52/504659552.db2.gz GMDBCXVXDFUSSI-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000559263965 504812305 /nfs/dbraw/zinc/81/23/05/504812305.db2.gz OIWUJMKFAXPRMI-GXTWGEPZSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000559263965 504812306 /nfs/dbraw/zinc/81/23/06/504812306.db2.gz OIWUJMKFAXPRMI-GXTWGEPZSA-N 1 2 367.434 3.279 20 30 FGEDLO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549670171 504870747 /nfs/dbraw/zinc/87/07/47/504870747.db2.gz WYEZIPQXKNRSLA-UHFFFAOYSA-N 1 2 364.453 3.144 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556534727 504899409 /nfs/dbraw/zinc/89/94/09/504899409.db2.gz WIYGVPWDGRZWHH-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556534727 504899411 /nfs/dbraw/zinc/89/94/11/504899411.db2.gz WIYGVPWDGRZWHH-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000550112820 504969028 /nfs/dbraw/zinc/96/90/28/504969028.db2.gz UWURLCZVBTURNP-ORAYPTAESA-N 1 2 363.889 3.150 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000550112820 504969034 /nfs/dbraw/zinc/96/90/34/504969034.db2.gz UWURLCZVBTURNP-ORAYPTAESA-N 1 2 363.889 3.150 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000560275705 505037527 /nfs/dbraw/zinc/03/75/27/505037527.db2.gz FGASCWBHXWNMJF-OALUTQOASA-N 1 2 360.417 3.085 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550502529 505054750 /nfs/dbraw/zinc/05/47/50/505054750.db2.gz KFESZZMAOOVEQO-OAQYLSRUSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550502529 505054755 /nfs/dbraw/zinc/05/47/55/505054755.db2.gz KFESZZMAOOVEQO-OAQYLSRUSA-N 1 2 369.509 3.441 20 30 FGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000550502616 505055229 /nfs/dbraw/zinc/05/52/29/505055229.db2.gz MZYKHDOVZHQVDM-ZDUSSCGKSA-N 1 2 372.387 3.013 20 30 FGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000550502616 505055232 /nfs/dbraw/zinc/05/52/32/505055232.db2.gz MZYKHDOVZHQVDM-ZDUSSCGKSA-N 1 2 372.387 3.013 20 30 FGEDLO Cc1nc2cccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2[nH]1 ZINC000566391363 505162281 /nfs/dbraw/zinc/16/22/81/505162281.db2.gz BJKTXEQGSSJOHV-UHFFFAOYSA-N 1 2 373.460 3.160 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C)nc(C#N)c3)CC2)cs1 ZINC000557607515 505181630 /nfs/dbraw/zinc/18/16/30/505181630.db2.gz XATMPMRBJXUZSW-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C)nc(C#N)c3)CC2)cs1 ZINC000557607515 505181634 /nfs/dbraw/zinc/18/16/34/505181634.db2.gz XATMPMRBJXUZSW-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ccn1 ZINC000557621594 505184083 /nfs/dbraw/zinc/18/40/83/505184083.db2.gz ABQSGARLQZULSF-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cc1cc(Nc2nc3c(cc2C#N)COCC3)c[nH+]c1N1CCCC[C@H]1C ZINC000566543428 505200836 /nfs/dbraw/zinc/20/08/36/505200836.db2.gz WBQWFBHCMMQZPD-OAHLLOKOSA-N 1 2 363.465 3.274 20 30 FGEDLO N#Cc1ccc(OCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000563755583 505229328 /nfs/dbraw/zinc/22/93/28/505229328.db2.gz ZBLCOSDUSSSYSL-UHFFFAOYSA-N 1 2 366.808 3.093 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cscc3Br)CC2)nc1 ZINC000566848396 505290715 /nfs/dbraw/zinc/29/07/15/505290715.db2.gz WKGSPSVYPPHMEJ-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132721 505315818 /nfs/dbraw/zinc/31/58/18/505315818.db2.gz TYYBATSTYHSANZ-DZGCQCFKSA-N 1 2 373.503 3.059 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558132721 505315823 /nfs/dbraw/zinc/31/58/23/505315823.db2.gz TYYBATSTYHSANZ-DZGCQCFKSA-N 1 2 373.503 3.059 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000552185726 505423495 /nfs/dbraw/zinc/42/34/95/505423495.db2.gz TXMQIKGILJTJFD-KRWDZBQOSA-N 1 2 362.458 3.263 20 30 FGEDLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000561873484 505456588 /nfs/dbraw/zinc/45/65/88/505456588.db2.gz QSOGLQSCKGAFLC-INIZCTEOSA-N 1 2 364.287 3.201 20 30 FGEDLO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000561873484 505456589 /nfs/dbraw/zinc/45/65/89/505456589.db2.gz QSOGLQSCKGAFLC-INIZCTEOSA-N 1 2 364.287 3.201 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1C ZINC000567461547 505470850 /nfs/dbraw/zinc/47/08/50/505470850.db2.gz IBMNOHXEDJYJHF-AWEZNQCLSA-N 1 2 371.510 3.193 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cnn1C ZINC000567461547 505470855 /nfs/dbraw/zinc/47/08/55/505470855.db2.gz IBMNOHXEDJYJHF-AWEZNQCLSA-N 1 2 371.510 3.193 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000555635296 505481408 /nfs/dbraw/zinc/48/14/08/505481408.db2.gz WUUODPNSKYDRQF-GXTWGEPZSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000555635296 505481411 /nfs/dbraw/zinc/48/14/11/505481411.db2.gz WUUODPNSKYDRQF-GXTWGEPZSA-N 1 2 354.429 3.384 20 30 FGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000555751775 505506771 /nfs/dbraw/zinc/50/67/71/505506771.db2.gz MHFCFTUTZOVZJJ-GFCCVEGCSA-N 1 2 358.423 3.000 20 30 FGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000555751775 505506772 /nfs/dbraw/zinc/50/67/72/505506772.db2.gz MHFCFTUTZOVZJJ-GFCCVEGCSA-N 1 2 358.423 3.000 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000552541320 505510848 /nfs/dbraw/zinc/51/08/48/505510848.db2.gz LEPJRCGXEBGANQ-UHFFFAOYSA-N 1 2 355.251 3.221 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000552541320 505510853 /nfs/dbraw/zinc/51/08/53/505510853.db2.gz LEPJRCGXEBGANQ-UHFFFAOYSA-N 1 2 355.251 3.221 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C#N ZINC000599249280 506384353 /nfs/dbraw/zinc/38/43/53/506384353.db2.gz VUUOPQVEEIGTHY-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588954790 506393997 /nfs/dbraw/zinc/39/39/97/506393997.db2.gz PBWKTDUWMPNVTF-CQSZACIVSA-N 1 2 369.446 3.166 20 30 FGEDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588954790 506394005 /nfs/dbraw/zinc/39/40/05/506394005.db2.gz PBWKTDUWMPNVTF-CQSZACIVSA-N 1 2 369.446 3.166 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115693 506401292 /nfs/dbraw/zinc/40/12/92/506401292.db2.gz DTYKITMQYKZFDE-QFYYESIMSA-N 1 2 351.422 3.167 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115693 506401297 /nfs/dbraw/zinc/40/12/97/506401297.db2.gz DTYKITMQYKZFDE-QFYYESIMSA-N 1 2 351.422 3.167 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2CF)c1C#N ZINC000582859333 506457843 /nfs/dbraw/zinc/45/78/43/506457843.db2.gz YIPOMUNWFVCQMS-KRWDZBQOSA-N 1 2 372.419 3.477 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2CF)c1C#N ZINC000582859333 506457850 /nfs/dbraw/zinc/45/78/50/506457850.db2.gz YIPOMUNWFVCQMS-KRWDZBQOSA-N 1 2 372.419 3.477 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163865 506468445 /nfs/dbraw/zinc/46/84/45/506468445.db2.gz VMAWZSNWMPIDPE-QGZVFWFLSA-N 1 2 364.287 3.033 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163865 506468448 /nfs/dbraw/zinc/46/84/48/506468448.db2.gz VMAWZSNWMPIDPE-QGZVFWFLSA-N 1 2 364.287 3.033 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OCC(F)F ZINC000589173143 506471682 /nfs/dbraw/zinc/47/16/82/506471682.db2.gz GIEINMUTYPZLFX-SFHVURJKSA-N 1 2 354.397 3.473 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OCC(F)F ZINC000589173143 506471684 /nfs/dbraw/zinc/47/16/84/506471684.db2.gz GIEINMUTYPZLFX-SFHVURJKSA-N 1 2 354.397 3.473 20 30 FGEDLO COCCOCc1cc(C#N)ccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000603311292 506481756 /nfs/dbraw/zinc/48/17/56/506481756.db2.gz LQFZCWXCCANOMG-OXQOHEQNSA-N 1 2 354.454 3.005 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000589300697 506509713 /nfs/dbraw/zinc/50/97/13/506509713.db2.gz QEUQTMBBXHKPGV-OAHLLOKOSA-N 1 2 361.445 3.441 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000589300697 506509717 /nfs/dbraw/zinc/50/97/17/506509717.db2.gz QEUQTMBBXHKPGV-OAHLLOKOSA-N 1 2 361.445 3.441 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599634399 506541759 /nfs/dbraw/zinc/54/17/59/506541759.db2.gz JTSIYHFLMHDMAV-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599634399 506541766 /nfs/dbraw/zinc/54/17/66/506541766.db2.gz JTSIYHFLMHDMAV-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000596695789 506543940 /nfs/dbraw/zinc/54/39/40/506543940.db2.gz BROMSGGFGLOLHH-GQIGUUNPSA-N 1 2 356.470 3.063 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000596695789 506543949 /nfs/dbraw/zinc/54/39/49/506543949.db2.gz BROMSGGFGLOLHH-GQIGUUNPSA-N 1 2 356.470 3.063 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593357777 506569820 /nfs/dbraw/zinc/56/98/20/506569820.db2.gz IEZOVDCGTSYRHN-QGZVFWFLSA-N 1 2 351.454 3.087 20 30 FGEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679202 506574664 /nfs/dbraw/zinc/57/46/64/506574664.db2.gz XKPIUCUGYIODNH-UHFFFAOYSA-N 1 2 368.502 3.283 20 30 FGEDLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679202 506574672 /nfs/dbraw/zinc/57/46/72/506574672.db2.gz XKPIUCUGYIODNH-UHFFFAOYSA-N 1 2 368.502 3.283 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599678546 506575128 /nfs/dbraw/zinc/57/51/28/506575128.db2.gz VFJOULBVDHAQMQ-ZDUSSCGKSA-N 1 2 354.479 3.211 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599678546 506575133 /nfs/dbraw/zinc/57/51/33/506575133.db2.gz VFJOULBVDHAQMQ-ZDUSSCGKSA-N 1 2 354.479 3.211 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1nc(-c3cccc(C#N)c3)cs1)CC2 ZINC000599719767 506601700 /nfs/dbraw/zinc/60/17/00/506601700.db2.gz WIAFMBQKRSXPMN-HNNXBMFYSA-N 1 2 363.446 3.388 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCC(N=c3nc(-c4ccccc4)o[nH]3)CC2)c1 ZINC000593514944 506663578 /nfs/dbraw/zinc/66/35/78/506663578.db2.gz HFHUQQVHZUXXPP-UHFFFAOYSA-N 1 2 359.433 3.107 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000590053232 506717305 /nfs/dbraw/zinc/71/73/05/506717305.db2.gz ZECUDWHUSOBHHL-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000597024555 506737437 /nfs/dbraw/zinc/73/74/37/506737437.db2.gz KSINKOYEXJUFEQ-UHFFFAOYSA-N 1 2 371.868 3.181 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1Br ZINC000583417735 506767572 /nfs/dbraw/zinc/76/75/72/506767572.db2.gz IDENEONIRCPMOZ-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO Cc1ccccc1-n1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nn1 ZINC000583467095 506793427 /nfs/dbraw/zinc/79/34/27/506793427.db2.gz MIQRRDPBPRRLKQ-UHFFFAOYSA-N 1 2 373.460 3.491 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000590326599 506795774 /nfs/dbraw/zinc/79/57/74/506795774.db2.gz SCHGECMPCRDRDT-WMLDXEAASA-N 1 2 351.372 3.049 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000590326599 506795778 /nfs/dbraw/zinc/79/57/78/506795778.db2.gz SCHGECMPCRDRDT-WMLDXEAASA-N 1 2 351.372 3.049 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000609195129 506809791 /nfs/dbraw/zinc/80/97/91/506809791.db2.gz VTQNGSMZAMPZRY-UHFFFAOYSA-N 1 2 360.417 3.250 20 30 FGEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cnc(C5CC5)o4)CC3)n[nH]2)cc1 ZINC000600179589 506826624 /nfs/dbraw/zinc/82/66/24/506826624.db2.gz CIWUHNWCRCXRME-UHFFFAOYSA-N 1 2 374.448 3.136 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(C#N)cc1 ZINC000604493164 506849863 /nfs/dbraw/zinc/84/98/63/506849863.db2.gz IUQZTDUDYGFLEM-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(C#N)cc1 ZINC000604493164 506849866 /nfs/dbraw/zinc/84/98/66/506849866.db2.gz IUQZTDUDYGFLEM-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000593965306 506854521 /nfs/dbraw/zinc/85/45/21/506854521.db2.gz CXZHDPGRYKRJOI-SFHVURJKSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000593965306 506854527 /nfs/dbraw/zinc/85/45/27/506854527.db2.gz CXZHDPGRYKRJOI-SFHVURJKSA-N 1 2 360.417 3.094 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059605 506913899 /nfs/dbraw/zinc/91/38/99/506913899.db2.gz XFZBGHCFYBDIJX-ZBFHGGJFSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059605 506913903 /nfs/dbraw/zinc/91/39/03/506913903.db2.gz XFZBGHCFYBDIJX-ZBFHGGJFSA-N 1 2 359.495 3.149 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000600429956 506951675 /nfs/dbraw/zinc/95/16/75/506951675.db2.gz NHOJVZSRAKAJBN-INIZCTEOSA-N 1 2 354.853 3.152 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000600429956 506951680 /nfs/dbraw/zinc/95/16/80/506951680.db2.gz NHOJVZSRAKAJBN-INIZCTEOSA-N 1 2 354.853 3.152 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000583761400 506958831 /nfs/dbraw/zinc/95/88/31/506958831.db2.gz PZIJCZGYAVCPRK-LBPRGKRZSA-N 1 2 374.466 3.048 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000590819701 506979682 /nfs/dbraw/zinc/97/96/82/506979682.db2.gz RIYQHSSTGBQTQJ-HNNXBMFYSA-N 1 2 357.845 3.238 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000610274671 507172007 /nfs/dbraw/zinc/17/20/07/507172007.db2.gz FHRTXFXZEAQALF-UHFFFAOYSA-N 1 2 365.387 3.282 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000594596804 507202423 /nfs/dbraw/zinc/20/24/23/507202423.db2.gz BXEVQYNYNMMHDE-UHFFFAOYSA-N 1 2 372.476 3.078 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1cccc(C#N)c1 ZINC000610356220 507210401 /nfs/dbraw/zinc/21/04/01/507210401.db2.gz MBRQMENJMGATSG-IAGOWNOFSA-N 1 2 363.465 3.103 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610581650 507302866 /nfs/dbraw/zinc/30/28/66/507302866.db2.gz IFALLRRFBIWJOT-VQTJNVASSA-N 1 2 350.418 3.236 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610581650 507302871 /nfs/dbraw/zinc/30/28/71/507302871.db2.gz IFALLRRFBIWJOT-VQTJNVASSA-N 1 2 350.418 3.236 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000584478868 507367286 /nfs/dbraw/zinc/36/72/86/507367286.db2.gz DMSPZJUGRMQCOQ-CABCVRRESA-N 1 2 364.371 3.400 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222653 507412360 /nfs/dbraw/zinc/41/23/60/507412360.db2.gz SJTWKTBITWOXAY-CQSZACIVSA-N 1 2 373.522 3.328 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222653 507412366 /nfs/dbraw/zinc/41/23/66/507412366.db2.gz SJTWKTBITWOXAY-CQSZACIVSA-N 1 2 373.522 3.328 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000610865080 507418895 /nfs/dbraw/zinc/41/88/95/507418895.db2.gz ZCWNHPKUYGWFCY-UHFFFAOYSA-N 1 2 358.392 3.067 20 30 FGEDLO N#CCCN1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000611173559 507546832 /nfs/dbraw/zinc/54/68/32/507546832.db2.gz AJYMELRFOHWNQY-HXUWFJFHSA-N 1 2 366.440 3.037 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179929 507550076 /nfs/dbraw/zinc/55/00/76/507550076.db2.gz NTTZFSGAECJSOA-HNNXBMFYSA-N 1 2 372.419 3.491 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179929 507550085 /nfs/dbraw/zinc/55/00/85/507550085.db2.gz NTTZFSGAECJSOA-HNNXBMFYSA-N 1 2 372.419 3.491 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000595574355 507568994 /nfs/dbraw/zinc/56/89/94/507568994.db2.gz KBVJZRRKFIMMSU-SJORKVTESA-N 1 2 369.481 3.319 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000595574355 507569001 /nfs/dbraw/zinc/56/90/01/507569001.db2.gz KBVJZRRKFIMMSU-SJORKVTESA-N 1 2 369.481 3.319 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1c[nH+]c[nH]1 ZINC000595594549 507581346 /nfs/dbraw/zinc/58/13/46/507581346.db2.gz MSMZHQDLNHZLSI-GFCCVEGCSA-N 1 2 357.483 3.071 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1c[nH]c[nH+]1 ZINC000595594549 507581348 /nfs/dbraw/zinc/58/13/48/507581348.db2.gz MSMZHQDLNHZLSI-GFCCVEGCSA-N 1 2 357.483 3.071 20 30 FGEDLO Cc1cn2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2[nH+]1 ZINC000602092034 507587307 /nfs/dbraw/zinc/58/73/07/507587307.db2.gz BKWZSDCXJSJBTQ-UHFFFAOYSA-N 1 2 360.417 3.198 20 30 FGEDLO N#C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000602097930 507591719 /nfs/dbraw/zinc/59/17/19/507591719.db2.gz QPAMQWMZNHVDFR-OLZOCXBDSA-N 1 2 356.735 3.411 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615748 507594041 /nfs/dbraw/zinc/59/40/41/507594041.db2.gz SKCBHMWNAZZJDW-ZIAGYGMSSA-N 1 2 363.483 3.186 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615748 507594049 /nfs/dbraw/zinc/59/40/49/507594049.db2.gz SKCBHMWNAZZJDW-ZIAGYGMSSA-N 1 2 363.483 3.186 20 30 FGEDLO N#C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000595625269 507599281 /nfs/dbraw/zinc/59/92/81/507599281.db2.gz CDKYQVXHCKTERF-HBMCJLEFSA-N 1 2 367.880 3.490 20 30 FGEDLO N#C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000595625269 507599284 /nfs/dbraw/zinc/59/92/84/507599284.db2.gz CDKYQVXHCKTERF-HBMCJLEFSA-N 1 2 367.880 3.490 20 30 FGEDLO N#Cc1sccc1N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000595629593 507601507 /nfs/dbraw/zinc/60/15/07/507601507.db2.gz GTTHTNVTHCPIJF-UHFFFAOYSA-N 1 2 363.490 3.187 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000595630627 507602697 /nfs/dbraw/zinc/60/26/97/507602697.db2.gz HVDCHBBZXXBHSR-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602172000 507614626 /nfs/dbraw/zinc/61/46/26/507614626.db2.gz MUHZRBDQMWWWCC-CYBMUJFWSA-N 1 2 362.315 3.072 20 30 FGEDLO Cc1csc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 ZINC000595725254 507648440 /nfs/dbraw/zinc/64/84/40/507648440.db2.gz CUSYEMQJXVVWPD-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000611389190 507657836 /nfs/dbraw/zinc/65/78/36/507657836.db2.gz YGVSITAEPGPCCG-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000595782340 507681859 /nfs/dbraw/zinc/68/18/59/507681859.db2.gz YLBRMIVMSIYQPV-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000595782340 507681863 /nfs/dbraw/zinc/68/18/63/507681863.db2.gz YLBRMIVMSIYQPV-KGLIPLIRSA-N 1 2 361.511 3.326 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595785663 507683645 /nfs/dbraw/zinc/68/36/45/507683645.db2.gz YSEPFXSDRBYLGA-QGZVFWFLSA-N 1 2 361.511 3.456 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000595839390 507708027 /nfs/dbraw/zinc/70/80/27/507708027.db2.gz FMNVUZNHIWCEIU-JTHBVZDNSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000595839390 507708036 /nfs/dbraw/zinc/70/80/36/507708036.db2.gz FMNVUZNHIWCEIU-JTHBVZDNSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@H]([C@H](C)Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[NH+]1CCOCC1 ZINC000479981694 561200571 /nfs/dbraw/zinc/20/05/71/561200571.db2.gz GNLVRLZFTNRIRJ-JKSUJKDBSA-N 1 2 367.497 3.005 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000652649102 568195730 /nfs/dbraw/zinc/19/57/30/568195730.db2.gz USKRGAWJUHZZQJ-APWZRJJASA-N 1 2 368.481 3.466 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330320096 568237869 /nfs/dbraw/zinc/23/78/69/568237869.db2.gz DVKIFIJEWHNEPW-DVTFPSANSA-N 1 2 374.407 3.265 20 30 FGEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000072001962 695959116 /nfs/dbraw/zinc/95/91/16/695959116.db2.gz WZGXZKQFODRDFO-UHFFFAOYSA-N 1 2 351.328 3.175 20 30 FGEDLO C=C(Br)C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000116402122 700593195 /nfs/dbraw/zinc/59/31/95/700593195.db2.gz ZAKVQRNQGSHNDN-LBPRGKRZSA-N 1 2 368.193 3.286 20 30 FGEDLO C=C(Br)C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000116402122 700593197 /nfs/dbraw/zinc/59/31/97/700593197.db2.gz ZAKVQRNQGSHNDN-LBPRGKRZSA-N 1 2 368.193 3.286 20 30 FGEDLO CCc1ccc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127530098 700762648 /nfs/dbraw/zinc/76/26/48/700762648.db2.gz CBXZCLCOYXVTNR-HXUWFJFHSA-N 1 2 355.507 3.033 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000132013897 700822564 /nfs/dbraw/zinc/82/25/64/700822564.db2.gz OGMITBGGGAIHOA-UHFFFAOYSA-N 1 2 358.785 3.236 20 30 FGEDLO C=CCC1(NC(=O)C[N@@H+](CC)Cc2ccccc2Cl)CCOCC1 ZINC000618250874 714728516 /nfs/dbraw/zinc/72/85/16/714728516.db2.gz SHPLZIDDSZYZAD-UHFFFAOYSA-N 1 2 350.890 3.403 20 30 FGEDLO C=CCC1(NC(=O)C[N@H+](CC)Cc2ccccc2Cl)CCOCC1 ZINC000618250874 714728518 /nfs/dbraw/zinc/72/85/18/714728518.db2.gz SHPLZIDDSZYZAD-UHFFFAOYSA-N 1 2 350.890 3.403 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)N1 ZINC000779791885 724427447 /nfs/dbraw/zinc/42/74/47/724427447.db2.gz MKVQZRUTOHYYCL-GFCCVEGCSA-N 1 2 358.877 3.230 20 30 FGEDLO Cc1cccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(Cl)cc2)c1 ZINC000766058595 723553287 /nfs/dbraw/zinc/55/32/87/723553287.db2.gz GBTOYKCHJRJZKJ-UHFFFAOYSA-N 1 2 366.870 3.149 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662056594 720367570 /nfs/dbraw/zinc/36/75/70/720367570.db2.gz SRUOFFVQRHOCAQ-SWLSCSKDSA-N 1 2 359.297 3.430 20 30 FGEDLO N#Cc1ccccc1OCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947934 724711292 /nfs/dbraw/zinc/71/12/92/724711292.db2.gz GJHOZYQZNGXLBX-UHFFFAOYSA-N 1 2 360.211 3.037 20 30 FGEDLO NC(=[NH+]OCCOc1ccccc1F)c1ccc(Br)cc1 ZINC000782949493 724711716 /nfs/dbraw/zinc/71/17/16/724711716.db2.gz VXVDRKOTBAHCJQ-UHFFFAOYSA-N 1 2 353.191 3.304 20 30 FGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3c(C)cc(Br)cn23)cnn1C ZINC000783712592 724780533 /nfs/dbraw/zinc/78/05/33/724780533.db2.gz HOCQQWZVZJHBCO-PLNGDYQASA-N 1 2 359.227 3.343 20 30 FGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3c(C)cc(Br)cn23)cnn1C ZINC000783712593 724780651 /nfs/dbraw/zinc/78/06/51/724780651.db2.gz HOCQQWZVZJHBCO-SNAWJCMRSA-N 1 2 359.227 3.343 20 30 FGEDLO Cc1cc(Br)cn2c(CN=Nc3cncc(Cl)n3)c[nH+]c12 ZINC000783825248 724793992 /nfs/dbraw/zinc/79/39/92/724793992.db2.gz XSEKMBDLDHBSHV-UHFFFAOYSA-N 1 2 365.622 3.295 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165034408 721872915 /nfs/dbraw/zinc/87/29/15/721872915.db2.gz JPXDIUXUOJNRLQ-UHFFFAOYSA-N 1 2 355.829 3.102 20 30 FGEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000749966163 722750348 /nfs/dbraw/zinc/75/03/48/722750348.db2.gz LEPAOSGCNZQCTG-AWEZNQCLSA-N 1 2 362.474 3.332 20 30 FGEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000749966163 722750351 /nfs/dbraw/zinc/75/03/51/722750351.db2.gz LEPAOSGCNZQCTG-AWEZNQCLSA-N 1 2 362.474 3.332 20 30 FGEDLO C#CCN(Cc1c[nH+]cn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000751480317 722809613 /nfs/dbraw/zinc/80/96/13/722809613.db2.gz UXIOPZKMLURAFL-INIZCTEOSA-N 1 2 360.255 3.142 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000752288211 722852660 /nfs/dbraw/zinc/85/26/60/722852660.db2.gz VCRDINIWBJNETG-GOSISDBHSA-N 1 2 360.527 3.126 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755228268 722951452 /nfs/dbraw/zinc/95/14/52/722951452.db2.gz UZLGNTFFRRYKHJ-QUCCMNQESA-N 1 2 356.828 3.392 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755228268 722951453 /nfs/dbraw/zinc/95/14/53/722951453.db2.gz UZLGNTFFRRYKHJ-QUCCMNQESA-N 1 2 356.828 3.392 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1C ZINC000761056604 723117580 /nfs/dbraw/zinc/11/75/80/723117580.db2.gz YIYSVWWQTAPSJJ-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c1C ZINC000761056604 723117593 /nfs/dbraw/zinc/11/75/93/723117593.db2.gz YIYSVWWQTAPSJJ-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000763951076 723380848 /nfs/dbraw/zinc/38/08/48/723380848.db2.gz QFCZOLYSMWKUMB-OAQYLSRUSA-N 1 2 350.487 3.320 20 30 FGEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000763951076 723380851 /nfs/dbraw/zinc/38/08/51/723380851.db2.gz QFCZOLYSMWKUMB-OAQYLSRUSA-N 1 2 350.487 3.320 20 30 FGEDLO C#CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000764728056 723440620 /nfs/dbraw/zinc/44/06/20/723440620.db2.gz MWYPTGLJEPUVQX-MRXNPFEDSA-N 1 2 363.864 3.251 20 30 FGEDLO C#CCN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000764728056 723440621 /nfs/dbraw/zinc/44/06/21/723440621.db2.gz MWYPTGLJEPUVQX-MRXNPFEDSA-N 1 2 363.864 3.251 20 30 FGEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)s1 ZINC000794696839 723541461 /nfs/dbraw/zinc/54/14/61/723541461.db2.gz BNRUMNAZWXGWIZ-XQRVVYSFSA-N 1 2 357.357 3.220 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796557049 723643507 /nfs/dbraw/zinc/64/35/07/723643507.db2.gz BBXQQNIYWCNWDJ-SJLPKXTDSA-N 1 2 350.846 3.012 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796557049 723643508 /nfs/dbraw/zinc/64/35/08/723643508.db2.gz BBXQQNIYWCNWDJ-SJLPKXTDSA-N 1 2 350.846 3.012 20 30 FGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000774063080 723854723 /nfs/dbraw/zinc/85/47/23/723854723.db2.gz QGTKJRUVRMFYDF-OAHLLOKOSA-N 1 2 358.438 3.127 20 30 FGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000774063080 723854726 /nfs/dbraw/zinc/85/47/26/723854726.db2.gz QGTKJRUVRMFYDF-OAHLLOKOSA-N 1 2 358.438 3.127 20 30 FGEDLO C#C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000799048333 723984780 /nfs/dbraw/zinc/98/47/80/723984780.db2.gz GEOABEANUBNSAM-IAGOWNOFSA-N 1 2 363.299 3.360 20 30 FGEDLO Cc1[nH+]c(C(C)N=Nc2ccc([N+](=O)[O-])cc2Br)cn1C ZINC000800815757 724230892 /nfs/dbraw/zinc/23/08/92/724230892.db2.gz MJONXMBFPFJSKE-UHFFFAOYSA-N 1 2 352.192 3.235 20 30 FGEDLO C[NH+]1CCN(c2ccc(Nc3ncccc3C#N)cc2Br)CC1 ZINC000786828342 725002487 /nfs/dbraw/zinc/00/24/87/725002487.db2.gz UWPQNFIALFTQEB-UHFFFAOYSA-N 1 2 372.270 3.211 20 30 FGEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000787997001 725041363 /nfs/dbraw/zinc/04/13/63/725041363.db2.gz DWHIQNXUSQEOFG-HNNXBMFYSA-N 1 2 355.463 3.362 20 30 FGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000787997001 725041364 /nfs/dbraw/zinc/04/13/64/725041364.db2.gz DWHIQNXUSQEOFG-HNNXBMFYSA-N 1 2 355.463 3.362 20 30 FGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](C)COC ZINC000878889567 736929837 /nfs/dbraw/zinc/92/98/37/736929837.db2.gz BSYRBFNHWMIXEX-LLVKDONJSA-N 1 2 366.805 3.321 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](C)COC ZINC000878889567 736929839 /nfs/dbraw/zinc/92/98/39/736929839.db2.gz BSYRBFNHWMIXEX-LLVKDONJSA-N 1 2 366.805 3.321 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1nc(C#N)cs1)C2 ZINC000844357318 730707128 /nfs/dbraw/zinc/70/71/28/730707128.db2.gz NAOGJALJCGUDJK-UGSOOPFHSA-N 1 2 362.499 3.142 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000844357318 730707132 /nfs/dbraw/zinc/70/71/32/730707132.db2.gz NAOGJALJCGUDJK-UGSOOPFHSA-N 1 2 362.499 3.142 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCCCS(=O)(=O)c1ccccc1 ZINC000853234436 731685132 /nfs/dbraw/zinc/68/51/32/731685132.db2.gz QPYGQRDVVCTGHE-UHFFFAOYSA-N 1 2 358.463 3.150 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CCS(=O)(=O)C3CCCCC3)CC2)cc1 ZINC000856732263 732048608 /nfs/dbraw/zinc/04/86/08/732048608.db2.gz KGOAYFBEGVZVRE-UHFFFAOYSA-N 1 2 358.507 3.395 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CCS(=O)(=O)C3CCCCC3)CC2)cc1 ZINC000856732263 732048610 /nfs/dbraw/zinc/04/86/10/732048610.db2.gz KGOAYFBEGVZVRE-UHFFFAOYSA-N 1 2 358.507 3.395 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000859607106 732359779 /nfs/dbraw/zinc/35/97/79/732359779.db2.gz UKQABWTUJXOBGR-QWHCGFSZSA-N 1 2 361.408 3.315 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000859607106 732359780 /nfs/dbraw/zinc/35/97/80/732359780.db2.gz UKQABWTUJXOBGR-QWHCGFSZSA-N 1 2 361.408 3.315 20 30 FGEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876940592 736165315 /nfs/dbraw/zinc/16/53/15/736165315.db2.gz WBPIDDOQMUWISY-CYBMUJFWSA-N 1 2 356.857 3.425 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052966 737109687 /nfs/dbraw/zinc/10/96/87/737109687.db2.gz ZOTFRLWLKQNEOU-DLBZAZTESA-N 1 2 354.372 3.080 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052966 737109691 /nfs/dbraw/zinc/10/96/91/737109691.db2.gz ZOTFRLWLKQNEOU-DLBZAZTESA-N 1 2 354.372 3.080 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318900 737154496 /nfs/dbraw/zinc/15/44/96/737154496.db2.gz PARADNJYUQOBGS-CYBMUJFWSA-N 1 2 358.492 3.187 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318900 737154498 /nfs/dbraw/zinc/15/44/98/737154498.db2.gz PARADNJYUQOBGS-CYBMUJFWSA-N 1 2 358.492 3.187 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(CSC(C)C)c1C ZINC000884152945 737638160 /nfs/dbraw/zinc/63/81/60/737638160.db2.gz YEZQESNAJSCARY-HNNXBMFYSA-N 1 2 350.484 3.022 20 30 FGEDLO COc1ccccc1N1CCC[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000897923532 742726394 /nfs/dbraw/zinc/72/63/94/742726394.db2.gz QUHWIUFAFJIJSA-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO COc1ccccc1N1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000897923532 742726397 /nfs/dbraw/zinc/72/63/97/742726397.db2.gz QUHWIUFAFJIJSA-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO CSCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nnc2ccccn21 ZINC000902729813 743771310 /nfs/dbraw/zinc/77/13/10/743771310.db2.gz NWTXLOIDAWWPLL-ZFWWWQNUSA-N 1 2 352.467 3.141 20 30 FGEDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)c1cc(C#N)ccn1 ZINC000902947447 743791629 /nfs/dbraw/zinc/79/16/29/743791629.db2.gz IIIPZPIMGMXGLY-BLLLJJGKSA-N 1 2 360.255 3.490 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2nc(Br)cs2)s1 ZINC000905080210 743991877 /nfs/dbraw/zinc/99/18/77/743991877.db2.gz JCTIFZMMKJEFNW-ARJAWSKDSA-N 1 2 358.286 3.320 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000918186038 758313000 /nfs/dbraw/zinc/31/30/00/758313000.db2.gz PNLFJHGUKAVQGG-UHFFFAOYSA-N 1 2 354.328 3.473 20 30 FGEDLO C#CCOc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000922999660 759046638 /nfs/dbraw/zinc/04/66/38/759046638.db2.gz GZAQKMGQEGZSPD-UHFFFAOYSA-N 1 2 372.266 3.420 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)n1 ZINC000927766161 760042810 /nfs/dbraw/zinc/04/28/10/760042810.db2.gz LFFBYHSAZVZCIO-UHFFFAOYSA-N 1 2 369.277 3.313 20 30 FGEDLO C[N@H+](CC1CCC(C#N)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000930066161 760520805 /nfs/dbraw/zinc/52/08/05/760520805.db2.gz BPDAOIVFSNETGS-ZUEPYMLJSA-N 1 2 352.887 3.430 20 30 FGEDLO C[N@@H+](CC1CCC(C#N)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000930066161 760520812 /nfs/dbraw/zinc/52/08/12/760520812.db2.gz BPDAOIVFSNETGS-ZUEPYMLJSA-N 1 2 352.887 3.430 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ncco2)CC1 ZINC000931447688 760864798 /nfs/dbraw/zinc/86/47/98/760864798.db2.gz URWIRUUVRLQIBR-GFCCVEGCSA-N 1 2 358.829 3.406 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000932652115 761208831 /nfs/dbraw/zinc/20/88/31/761208831.db2.gz UPECHLVWDPXAEV-UHFFFAOYSA-N 1 2 357.347 3.385 20 30 FGEDLO COc1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1Br ZINC000933657632 761448397 /nfs/dbraw/zinc/44/83/97/761448397.db2.gz QJKPJMPOTZOJHE-UHFFFAOYSA-N 1 2 366.255 3.295 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934213239 761563249 /nfs/dbraw/zinc/56/32/49/761563249.db2.gz DBMLILYFKBTFGK-RDTXWAMCSA-N 1 2 373.250 3.153 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC000970448165 762875752 /nfs/dbraw/zinc/87/57/52/762875752.db2.gz XJCQALOXHJFVEG-XZOAIXRZSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000981372556 763485248 /nfs/dbraw/zinc/48/52/48/763485248.db2.gz XGEGQUVHKDJPCP-UONOGXRCSA-N 1 2 368.827 3.163 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000981372556 763485250 /nfs/dbraw/zinc/48/52/50/763485250.db2.gz XGEGQUVHKDJPCP-UONOGXRCSA-N 1 2 368.827 3.163 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1Cl ZINC001032677948 766202662 /nfs/dbraw/zinc/20/26/62/766202662.db2.gz YCXHFQXBMCWTAF-DWRORGKVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1Cl ZINC001032677948 766202669 /nfs/dbraw/zinc/20/26/69/766202669.db2.gz YCXHFQXBMCWTAF-DWRORGKVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001033431069 766215139 /nfs/dbraw/zinc/21/51/39/766215139.db2.gz AMDLIBDMKBNVNB-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001033431069 766215145 /nfs/dbraw/zinc/21/51/45/766215145.db2.gz AMDLIBDMKBNVNB-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001038798146 766288787 /nfs/dbraw/zinc/28/87/87/766288787.db2.gz AXOMYMCUEXKVOW-FHWLQOOXSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001038798146 766288789 /nfs/dbraw/zinc/28/87/89/766288789.db2.gz AXOMYMCUEXKVOW-FHWLQOOXSA-N 1 2 362.901 3.402 20 30 FGEDLO COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1[nH+]ccn1C ZINC000021901738 210156742 /nfs/dbraw/zinc/15/67/42/210156742.db2.gz VIIOWFSDAUNNNS-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000573810048 505626231 /nfs/dbraw/zinc/62/62/31/505626231.db2.gz ANPZHQZVLLEITO-OAQYLSRUSA-N 1 2 361.445 3.350 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000573810048 505626235 /nfs/dbraw/zinc/62/62/35/505626235.db2.gz ANPZHQZVLLEITO-OAQYLSRUSA-N 1 2 361.445 3.350 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000568328027 505667516 /nfs/dbraw/zinc/66/75/16/505667516.db2.gz CHXJYULMAPECQX-QWRGUYRKSA-N 1 2 373.482 3.258 20 30 FGEDLO Cc1cc(N2CCN(Cc3ccc(C#N)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000029593844 493845714 /nfs/dbraw/zinc/84/57/14/493845714.db2.gz RZDWQRQCTQMMKH-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO CC[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000081300877 493864747 /nfs/dbraw/zinc/86/47/47/493864747.db2.gz NHVJRMMDBHZVGZ-HNNXBMFYSA-N 1 2 357.458 3.078 20 30 FGEDLO CC[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000081300877 493864750 /nfs/dbraw/zinc/86/47/50/493864750.db2.gz NHVJRMMDBHZVGZ-HNNXBMFYSA-N 1 2 357.458 3.078 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000068825733 493880324 /nfs/dbraw/zinc/88/03/24/493880324.db2.gz RVHGROOAPGJYPV-UHFFFAOYSA-N 1 2 371.412 3.381 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000068825733 493880327 /nfs/dbraw/zinc/88/03/27/493880327.db2.gz RVHGROOAPGJYPV-UHFFFAOYSA-N 1 2 371.412 3.381 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000050090944 493896485 /nfs/dbraw/zinc/89/64/85/493896485.db2.gz MCHFKBMJPONSAL-UHFFFAOYSA-N 1 2 354.410 3.251 20 30 FGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512413 493906482 /nfs/dbraw/zinc/90/64/82/493906482.db2.gz AYSPKYBZMPYEMA-CYBMUJFWSA-N 1 2 364.417 3.303 20 30 FGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512413 493906487 /nfs/dbraw/zinc/90/64/87/493906487.db2.gz AYSPKYBZMPYEMA-CYBMUJFWSA-N 1 2 364.417 3.303 20 30 FGEDLO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000031203365 493931965 /nfs/dbraw/zinc/93/19/65/493931965.db2.gz MVGGNQRPFIAAGR-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000069615494 493988569 /nfs/dbraw/zinc/98/85/69/493988569.db2.gz XVXDPMVTUBGQHE-QGZVFWFLSA-N 1 2 370.478 3.123 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051994600 493997102 /nfs/dbraw/zinc/99/71/02/493997102.db2.gz IHSBDNIIASZTBI-VQTJNVASSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051994600 493997109 /nfs/dbraw/zinc/99/71/09/493997109.db2.gz IHSBDNIIASZTBI-VQTJNVASSA-N 1 2 355.482 3.194 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297723 494041172 /nfs/dbraw/zinc/04/11/72/494041172.db2.gz PHMBMDOCAQVBOR-UHFFFAOYSA-N 1 2 365.433 3.168 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297723 494041174 /nfs/dbraw/zinc/04/11/74/494041174.db2.gz PHMBMDOCAQVBOR-UHFFFAOYSA-N 1 2 365.433 3.168 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1cccc(C#N)c1 ZINC000063300845 494042375 /nfs/dbraw/zinc/04/23/75/494042375.db2.gz KRRBDMMHYVUPOP-UHFFFAOYSA-N 1 2 363.446 3.190 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1cccc(C#N)c1 ZINC000063300845 494042378 /nfs/dbraw/zinc/04/23/78/494042378.db2.gz KRRBDMMHYVUPOP-UHFFFAOYSA-N 1 2 363.446 3.190 20 30 FGEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000077250839 494043262 /nfs/dbraw/zinc/04/32/62/494043262.db2.gz RJGOZKHDBCUMPZ-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO N#Cc1csc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000084188687 494054745 /nfs/dbraw/zinc/05/47/45/494054745.db2.gz FMFRFMITXWXFJU-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1csc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000084188687 494054752 /nfs/dbraw/zinc/05/47/52/494054752.db2.gz FMFRFMITXWXFJU-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3sccc3Br)CC2)nc1 ZINC000063558839 494064925 /nfs/dbraw/zinc/06/49/25/494064925.db2.gz XGFOBXQFSVLBFN-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000042254892 494212928 /nfs/dbraw/zinc/21/29/28/494212928.db2.gz YOWDEFCOGJXZIR-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1csc(Br)c1 ZINC000042254892 494212933 /nfs/dbraw/zinc/21/29/33/494212933.db2.gz YOWDEFCOGJXZIR-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000078479046 494303277 /nfs/dbraw/zinc/30/32/77/494303277.db2.gz OHQWQHVKMOWNGH-UHFFFAOYSA-N 1 2 351.297 3.044 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066559805 494354384 /nfs/dbraw/zinc/35/43/84/494354384.db2.gz RPKNWEFABZTQSG-CQSZACIVSA-N 1 2 350.871 3.063 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066559805 494354388 /nfs/dbraw/zinc/35/43/88/494354388.db2.gz RPKNWEFABZTQSG-CQSZACIVSA-N 1 2 350.871 3.063 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045231986 494408378 /nfs/dbraw/zinc/40/83/78/494408378.db2.gz SQOZGABZERQQSX-IBGZPJMESA-N 1 2 359.433 3.223 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846346 494421691 /nfs/dbraw/zinc/42/16/91/494421691.db2.gz SAPVEXPPDTWAHG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846346 494421696 /nfs/dbraw/zinc/42/16/96/494421696.db2.gz SAPVEXPPDTWAHG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(Cl)s1 ZINC000018939425 494433589 /nfs/dbraw/zinc/43/35/89/494433589.db2.gz CHUCAZHCCJNFFR-UHFFFAOYSA-N 1 2 355.891 3.158 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(Cl)s1 ZINC000018939425 494433590 /nfs/dbraw/zinc/43/35/90/494433590.db2.gz CHUCAZHCCJNFFR-UHFFFAOYSA-N 1 2 355.891 3.158 20 30 FGEDLO CC(C)c1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000090110682 494443249 /nfs/dbraw/zinc/44/32/49/494443249.db2.gz PLNFNAWLCKMGFR-HNNXBMFYSA-N 1 2 365.485 3.100 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000574216547 505722650 /nfs/dbraw/zinc/72/26/50/505722650.db2.gz JKYMOCYIJNQIMS-HNNXBMFYSA-N 1 2 352.438 3.041 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000574216547 505722653 /nfs/dbraw/zinc/72/26/53/505722653.db2.gz JKYMOCYIJNQIMS-HNNXBMFYSA-N 1 2 352.438 3.041 20 30 FGEDLO CN(C(=O)c1cccc(SCC#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079443825 494456111 /nfs/dbraw/zinc/45/61/11/494456111.db2.gz JPOVNAKXQUTPRF-UHFFFAOYSA-N 1 2 366.490 3.438 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000091101308 494534804 /nfs/dbraw/zinc/53/48/04/494534804.db2.gz UXRCFWRPLIDTGI-SFHVURJKSA-N 1 2 356.429 3.301 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115844361 494640781 /nfs/dbraw/zinc/64/07/81/494640781.db2.gz TVMKHMBRWHNIIY-SFHVURJKSA-N 1 2 372.419 3.281 20 30 FGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000121263478 494672781 /nfs/dbraw/zinc/67/27/81/494672781.db2.gz SWFIPMSMNZYFJR-UHFFFAOYSA-N 1 2 360.417 3.365 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3snc(Cl)c3C#N)CC2)cc1 ZINC000047405292 494698525 /nfs/dbraw/zinc/69/85/25/494698525.db2.gz AJWVNOUDIJENOH-UHFFFAOYSA-N 1 2 362.886 3.389 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1O ZINC000092704447 494716873 /nfs/dbraw/zinc/71/68/73/494716873.db2.gz MMFOWBMXOALNHZ-UHFFFAOYSA-N 1 2 374.444 3.143 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000091936587 494727194 /nfs/dbraw/zinc/72/71/94/494727194.db2.gz QIQOKFPVLADMPM-CQSZACIVSA-N 1 2 368.510 3.173 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000091936587 494727203 /nfs/dbraw/zinc/72/72/03/494727203.db2.gz QIQOKFPVLADMPM-CQSZACIVSA-N 1 2 368.510 3.173 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000025410274 494734972 /nfs/dbraw/zinc/73/49/72/494734972.db2.gz BRUYTZYIJDSIHT-ZDUSSCGKSA-N 1 2 351.475 3.494 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000025410274 494734980 /nfs/dbraw/zinc/73/49/80/494734980.db2.gz BRUYTZYIJDSIHT-ZDUSSCGKSA-N 1 2 351.475 3.494 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)c1 ZINC000075647138 494809982 /nfs/dbraw/zinc/80/99/82/494809982.db2.gz BBJFVJAKURAKOR-SFHVURJKSA-N 1 2 364.405 3.382 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)c1 ZINC000075647138 494809988 /nfs/dbraw/zinc/80/99/88/494809988.db2.gz BBJFVJAKURAKOR-SFHVURJKSA-N 1 2 364.405 3.382 20 30 FGEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1OCCc2ccccc21 ZINC000075681508 494815066 /nfs/dbraw/zinc/81/50/66/494815066.db2.gz CEAALGIZYXUAHG-IBGZPJMESA-N 1 2 360.417 3.354 20 30 FGEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1OCCc2ccccc21 ZINC000075681508 494815072 /nfs/dbraw/zinc/81/50/72/494815072.db2.gz CEAALGIZYXUAHG-IBGZPJMESA-N 1 2 360.417 3.354 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(CC#N)C4CC4)c3)cn2c1 ZINC000109344601 494862052 /nfs/dbraw/zinc/86/20/52/494862052.db2.gz UFMFRHXMIXQGFC-UHFFFAOYSA-N 1 2 360.417 3.350 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127129030 494897891 /nfs/dbraw/zinc/89/78/91/494897891.db2.gz UGYJJYXZVAHKHF-MSOLQXFVSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127129030 494897895 /nfs/dbraw/zinc/89/78/95/494897895.db2.gz UGYJJYXZVAHKHF-MSOLQXFVSA-N 1 2 356.376 3.403 20 30 FGEDLO Cc1cc([C@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)ccc1F ZINC000093637489 494905625 /nfs/dbraw/zinc/90/56/25/494905625.db2.gz PQZPUTXFFADNJC-LJQANCHMSA-N 1 2 350.397 3.227 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000110493501 494983083 /nfs/dbraw/zinc/98/30/83/494983083.db2.gz OMPUTUKIJYONFB-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000110493501 494983089 /nfs/dbraw/zinc/98/30/89/494983089.db2.gz OMPUTUKIJYONFB-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000128543722 495114046 /nfs/dbraw/zinc/11/40/46/495114046.db2.gz KHVNKRQXPDDUKM-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000128543722 495114048 /nfs/dbraw/zinc/11/40/48/495114048.db2.gz KHVNKRQXPDDUKM-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128780595 495149007 /nfs/dbraw/zinc/14/90/07/495149007.db2.gz YCYZFVCDPJLJSC-MRXNPFEDSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128780595 495149009 /nfs/dbraw/zinc/14/90/09/495149009.db2.gz YCYZFVCDPJLJSC-MRXNPFEDSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000102993265 495181180 /nfs/dbraw/zinc/18/11/80/495181180.db2.gz RJHGBMRBYWJMKT-UHFFFAOYSA-N 1 2 366.490 3.352 20 30 FGEDLO Cc1ccc(-n2nc(CCCNc3cc[nH+]c(C4CC4)n3)c(C#N)c2N)cc1 ZINC000112514571 495199578 /nfs/dbraw/zinc/19/95/78/495199578.db2.gz RNZDDHSGAKPZRT-UHFFFAOYSA-N 1 2 373.464 3.347 20 30 FGEDLO C[C@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124097344 495233442 /nfs/dbraw/zinc/23/34/42/495233442.db2.gz JDOONMMHZBMHOM-YJBOKZPZSA-N 1 2 354.479 3.098 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000103490646 495242492 /nfs/dbraw/zinc/24/24/92/495242492.db2.gz KMTFMLZFGNLHLW-JXFKEZNVSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000103490646 495242496 /nfs/dbraw/zinc/24/24/96/495242496.db2.gz KMTFMLZFGNLHLW-JXFKEZNVSA-N 1 2 372.852 3.025 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000124408284 495282761 /nfs/dbraw/zinc/28/27/61/495282761.db2.gz UKLNGULBYOPYAZ-DOTOQJQBSA-N 1 2 355.438 3.180 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000120037203 495293223 /nfs/dbraw/zinc/29/32/23/495293223.db2.gz NBVLHWTXYDITRM-MRXNPFEDSA-N 1 2 364.449 3.236 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000120037203 495293226 /nfs/dbraw/zinc/29/32/26/495293226.db2.gz NBVLHWTXYDITRM-MRXNPFEDSA-N 1 2 364.449 3.236 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)c1 ZINC000104713000 495300222 /nfs/dbraw/zinc/30/02/22/495300222.db2.gz CGSZRXLMEBTNLY-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000136073866 495355011 /nfs/dbraw/zinc/35/50/11/495355011.db2.gz LSUTVOYJIOBCJG-UHFFFAOYSA-N 1 2 356.495 3.007 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000571636705 505779665 /nfs/dbraw/zinc/77/96/65/505779665.db2.gz OIQOBJSXPXWHSA-UHFFFAOYSA-N 1 2 355.486 3.297 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000568816473 505783534 /nfs/dbraw/zinc/78/35/34/505783534.db2.gz JHLRGAQWYPJJNW-AEFFLSMTSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000568816473 505783537 /nfs/dbraw/zinc/78/35/37/505783537.db2.gz JHLRGAQWYPJJNW-AEFFLSMTSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000130846580 495455286 /nfs/dbraw/zinc/45/52/86/495455286.db2.gz FZYNNSZXDVRAMK-UHFFFAOYSA-N 1 2 371.419 3.439 20 30 FGEDLO C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000125798087 495500859 /nfs/dbraw/zinc/50/08/59/495500859.db2.gz RZMKMBYZWGSACS-YLJYHZDGSA-N 1 2 366.465 3.414 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C(N)=O)cc1 ZINC000115597197 495520706 /nfs/dbraw/zinc/52/07/06/495520706.db2.gz COPFUGYPVDNWMT-QFIPXVFZSA-N 1 2 371.440 3.453 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C(N)=O)cc1 ZINC000115597486 495520738 /nfs/dbraw/zinc/52/07/38/495520738.db2.gz GIUDQLSGSKVBFI-JOCHJYFZSA-N 1 2 371.440 3.453 20 30 FGEDLO CC(C)n1cc[nH+]c1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000107300153 495524997 /nfs/dbraw/zinc/52/49/97/495524997.db2.gz DZQBIHYWBUQZFC-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC000143685557 495536496 /nfs/dbraw/zinc/53/64/96/495536496.db2.gz MFKBFJBGSLCWHE-UHFFFAOYSA-N 1 2 373.416 3.060 20 30 FGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000179366385 495563002 /nfs/dbraw/zinc/56/30/02/495563002.db2.gz WSHCNHSNQLMITA-NEIHUHTASA-N 1 2 352.434 3.259 20 30 FGEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000182528639 495600831 /nfs/dbraw/zinc/60/08/31/495600831.db2.gz IQIPRQBBFRSCEG-CYBMUJFWSA-N 1 2 361.405 3.417 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000185577559 495628819 /nfs/dbraw/zinc/62/88/19/495628819.db2.gz KWXFWSMCSWUPPZ-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000185577559 495628822 /nfs/dbraw/zinc/62/88/22/495628822.db2.gz KWXFWSMCSWUPPZ-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)s1 ZINC000179572114 495645805 /nfs/dbraw/zinc/64/58/05/495645805.db2.gz XOGMGKDOQQXIPK-UHFFFAOYSA-N 1 2 356.451 3.039 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)s1 ZINC000179572114 495645811 /nfs/dbraw/zinc/64/58/11/495645811.db2.gz XOGMGKDOQQXIPK-UHFFFAOYSA-N 1 2 356.451 3.039 20 30 FGEDLO N#C[C@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CCCC2 ZINC000577817670 505796725 /nfs/dbraw/zinc/79/67/25/505796725.db2.gz SASKRZSBKODDJB-KKSFZXQISA-N 1 2 352.482 3.399 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179667954 495684269 /nfs/dbraw/zinc/68/42/69/495684269.db2.gz KYJNXDHRUHCFJU-UHFFFAOYSA-N 1 2 363.490 3.467 20 30 FGEDLO N#CC1(c2ccc(C(=O)Nc3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC000179728318 495707154 /nfs/dbraw/zinc/70/71/54/495707154.db2.gz XDWTWQBFUWTCGP-UHFFFAOYSA-N 1 2 361.445 3.326 20 30 FGEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000182803836 495708993 /nfs/dbraw/zinc/70/89/93/495708993.db2.gz PGLDISGJQTXAJO-ZDUSSCGKSA-N 1 2 369.296 3.023 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000171087526 495719691 /nfs/dbraw/zinc/71/96/91/495719691.db2.gz JSAIYLFCOHQDLC-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO Cc1[nH+]cc(CNc2cnn(-c3ncccc3C#N)c2)n1-c1ccccc1 ZINC000185850474 495750657 /nfs/dbraw/zinc/75/06/57/495750657.db2.gz MSBDFHMJBKSKHD-UHFFFAOYSA-N 1 2 355.405 3.245 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000180061481 495841371 /nfs/dbraw/zinc/84/13/71/495841371.db2.gz FTZCSCRLKULYHJ-OAHLLOKOSA-N 1 2 365.437 3.294 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000160110221 495886574 /nfs/dbraw/zinc/88/65/74/495886574.db2.gz AXBGKZOVFIAPOI-UHFFFAOYSA-N 1 2 363.465 3.051 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000177045278 495899242 /nfs/dbraw/zinc/89/92/42/495899242.db2.gz AIOQLOYNLUPLFA-INIZCTEOSA-N 1 2 373.478 3.449 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000177045278 495899246 /nfs/dbraw/zinc/89/92/46/495899246.db2.gz AIOQLOYNLUPLFA-INIZCTEOSA-N 1 2 373.478 3.449 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(OC)c1 ZINC000155288926 495906131 /nfs/dbraw/zinc/90/61/31/495906131.db2.gz AMXMAGCDFXOPHF-HXUWFJFHSA-N 1 2 351.450 3.086 20 30 FGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183362981 495948011 /nfs/dbraw/zinc/94/80/11/495948011.db2.gz MEATVUHKEYKFNU-LBPRGKRZSA-N 1 2 361.257 3.266 20 30 FGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183362981 495948018 /nfs/dbraw/zinc/94/80/18/495948018.db2.gz MEATVUHKEYKFNU-LBPRGKRZSA-N 1 2 361.257 3.266 20 30 FGEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC000160410164 495956653 /nfs/dbraw/zinc/95/66/53/495956653.db2.gz QVNYKQQTFVUMHE-UHFFFAOYSA-N 1 2 361.401 3.141 20 30 FGEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC000160410164 495956659 /nfs/dbraw/zinc/95/66/59/495956659.db2.gz QVNYKQQTFVUMHE-UHFFFAOYSA-N 1 2 361.401 3.141 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160511463 495980141 /nfs/dbraw/zinc/98/01/41/495980141.db2.gz QCPRJCCLQWQCSQ-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160511463 495980145 /nfs/dbraw/zinc/98/01/45/495980145.db2.gz QCPRJCCLQWQCSQ-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000177259445 495998023 /nfs/dbraw/zinc/99/80/23/495998023.db2.gz HZSJOBVRZLFMCO-UHFFFAOYSA-N 1 2 350.397 3.177 20 30 FGEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000186528417 496032949 /nfs/dbraw/zinc/03/29/49/496032949.db2.gz XGTYLVAITBJASJ-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160750712 496034559 /nfs/dbraw/zinc/03/45/59/496034559.db2.gz RTEANUVNRGUGRA-OAQYLSRUSA-N 1 2 373.460 3.184 20 30 FGEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174862827 496137410 /nfs/dbraw/zinc/13/74/10/496137410.db2.gz IZZIMUVAIAVZCA-QGZVFWFLSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174862827 496137416 /nfs/dbraw/zinc/13/74/16/496137416.db2.gz IZZIMUVAIAVZCA-QGZVFWFLSA-N 1 2 353.466 3.485 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000152460679 496159392 /nfs/dbraw/zinc/15/93/92/496159392.db2.gz BAIHWDDYPDVRSJ-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000183977983 496184721 /nfs/dbraw/zinc/18/47/21/496184721.db2.gz PPVMBXMHJVHMDK-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000161645057 496214237 /nfs/dbraw/zinc/21/42/37/496214237.db2.gz GJWSPDHBNRCTRY-HXUWFJFHSA-N 1 2 365.477 3.476 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000186979205 496238429 /nfs/dbraw/zinc/23/84/29/496238429.db2.gz VDDYYBYFSNTFMG-UHFFFAOYSA-N 1 2 371.872 3.180 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000186979205 496238435 /nfs/dbraw/zinc/23/84/35/496238435.db2.gz VDDYYBYFSNTFMG-UHFFFAOYSA-N 1 2 371.872 3.180 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181038421 496248874 /nfs/dbraw/zinc/24/88/74/496248874.db2.gz GCNMYGBAMIPDEQ-INIZCTEOSA-N 1 2 364.287 3.154 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181038421 496248877 /nfs/dbraw/zinc/24/88/77/496248877.db2.gz GCNMYGBAMIPDEQ-INIZCTEOSA-N 1 2 364.287 3.154 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156504397 496263677 /nfs/dbraw/zinc/26/36/77/496263677.db2.gz MKJOMVRUBQVKMM-GOSISDBHSA-N 1 2 350.466 3.101 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000184315995 496332249 /nfs/dbraw/zinc/33/22/49/496332249.db2.gz UKOSSZNEKWVDNE-CQSZACIVSA-N 1 2 363.421 3.457 20 30 FGEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1cnccn1 ZINC000178299843 496404238 /nfs/dbraw/zinc/40/42/38/496404238.db2.gz JADVLGDPDUXGNB-UHFFFAOYSA-N 1 2 363.450 3.170 20 30 FGEDLO COc1cc2cc[nH+]c(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2cc1F ZINC000574739941 505844773 /nfs/dbraw/zinc/84/47/73/505844773.db2.gz LYEGSJKZALWHQG-OAHLLOKOSA-N 1 2 364.380 3.307 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000157350282 496460313 /nfs/dbraw/zinc/46/03/13/496460313.db2.gz LNTOLLYXZDCAQO-IBGZPJMESA-N 1 2 369.852 3.281 20 30 FGEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000181736098 496523470 /nfs/dbraw/zinc/52/34/70/496523470.db2.gz MJFGLRDBQSQVRP-LBPRGKRZSA-N 1 2 366.845 3.475 20 30 FGEDLO C=C(C)[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000187759596 496560015 /nfs/dbraw/zinc/56/00/15/496560015.db2.gz YEIAABXBWFCWQQ-HXUWFJFHSA-N 1 2 371.387 3.157 20 30 FGEDLO C=CCC[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000185051447 496638461 /nfs/dbraw/zinc/63/84/61/496638461.db2.gz YGZKCEVTHCGPBX-LJQANCHMSA-N 1 2 365.481 3.324 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CCCCC2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000185240172 496714768 /nfs/dbraw/zinc/71/47/68/496714768.db2.gz KIMCAJOZEHJPOL-CABCVRRESA-N 1 2 373.501 3.499 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191403788 496750864 /nfs/dbraw/zinc/75/08/64/496750864.db2.gz NFSIMIAHOTVFIB-HXUWFJFHSA-N 1 2 358.436 3.444 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403788 496750870 /nfs/dbraw/zinc/75/08/70/496750870.db2.gz NFSIMIAHOTVFIB-HXUWFJFHSA-N 1 2 358.436 3.444 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273255409 496754207 /nfs/dbraw/zinc/75/42/07/496754207.db2.gz BBBFWISOLOIONP-CQSZACIVSA-N 1 2 358.417 3.035 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000191453325 496767865 /nfs/dbraw/zinc/76/78/65/496767865.db2.gz ISBRBEIVKDDSOZ-MRXNPFEDSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000191453325 496767867 /nfs/dbraw/zinc/76/78/67/496767867.db2.gz ISBRBEIVKDDSOZ-MRXNPFEDSA-N 1 2 371.462 3.407 20 30 FGEDLO Cc1c(Cl)cnc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1C#N ZINC000273319307 496774054 /nfs/dbraw/zinc/77/40/54/496774054.db2.gz JWGRWVQLTPLLRS-LBPRGKRZSA-N 1 2 357.845 3.147 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000277518617 496800686 /nfs/dbraw/zinc/80/06/86/496800686.db2.gz KKKLTYARHSFVHM-DHZHZOJOSA-N 1 2 366.465 3.300 20 30 FGEDLO N#Cc1ccc(OC2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)cc1 ZINC000264169235 496826854 /nfs/dbraw/zinc/82/68/54/496826854.db2.gz YGLNFVYFUHZNPA-UHFFFAOYSA-N 1 2 364.371 3.360 20 30 FGEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000264201612 496837362 /nfs/dbraw/zinc/83/73/62/496837362.db2.gz FHDPNMHUJAIAFT-LBPRGKRZSA-N 1 2 365.359 3.220 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000269209851 496895314 /nfs/dbraw/zinc/89/53/14/496895314.db2.gz OHABYEIBIBPBIH-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000269209851 496895322 /nfs/dbraw/zinc/89/53/22/496895322.db2.gz OHABYEIBIBPBIH-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195346122 496897145 /nfs/dbraw/zinc/89/71/45/496897145.db2.gz HDHSGTZLNRVBIO-CYBMUJFWSA-N 1 2 360.870 3.486 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195346122 496897151 /nfs/dbraw/zinc/89/71/51/496897151.db2.gz HDHSGTZLNRVBIO-CYBMUJFWSA-N 1 2 360.870 3.486 20 30 FGEDLO Cc1cc(C#N)nc(N[C@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)n1 ZINC000574875861 505873761 /nfs/dbraw/zinc/87/37/61/505873761.db2.gz BHMVGBYJNGZFGH-ZDUSSCGKSA-N 1 2 366.375 3.225 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000195479917 496935365 /nfs/dbraw/zinc/93/53/65/496935365.db2.gz DKCHLHDNACKTSY-HNNXBMFYSA-N 1 2 350.466 3.235 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000195479917 496935367 /nfs/dbraw/zinc/93/53/67/496935367.db2.gz DKCHLHDNACKTSY-HNNXBMFYSA-N 1 2 350.466 3.235 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248419820 497004894 /nfs/dbraw/zinc/00/48/94/497004894.db2.gz VSBOUOUVAMMZKC-INMHGKMJSA-N 1 2 353.426 3.289 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248419819 497005314 /nfs/dbraw/zinc/00/53/14/497005314.db2.gz VSBOUOUVAMMZKC-BFYDXBDKSA-N 1 2 353.426 3.289 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000269878633 497017445 /nfs/dbraw/zinc/01/74/45/497017445.db2.gz OOJMCALTACCRKC-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248824553 497111476 /nfs/dbraw/zinc/11/14/76/497111476.db2.gz WTWYUMHXBPXKSK-IAGOWNOFSA-N 1 2 371.462 3.062 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000248824553 497111478 /nfs/dbraw/zinc/11/14/78/497111478.db2.gz WTWYUMHXBPXKSK-IAGOWNOFSA-N 1 2 371.462 3.062 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248834463 497113966 /nfs/dbraw/zinc/11/39/66/497113966.db2.gz MVTCUPMIYAZASC-SOUVJXGZSA-N 1 2 361.511 3.253 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000248980401 497143953 /nfs/dbraw/zinc/14/39/53/497143953.db2.gz ISHOQTVSWJEDPU-KXBFYZLASA-N 1 2 367.399 3.431 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000248980401 497143958 /nfs/dbraw/zinc/14/39/58/497143958.db2.gz ISHOQTVSWJEDPU-KXBFYZLASA-N 1 2 367.399 3.431 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278569650 497154777 /nfs/dbraw/zinc/15/47/77/497154777.db2.gz BZWWHUQQZAEHPA-AWEZNQCLSA-N 1 2 351.372 3.432 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278979365 497289700 /nfs/dbraw/zinc/28/97/00/497289700.db2.gz YHSJHYQTXAVOJV-UHFFFAOYSA-N 1 2 366.440 3.471 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190159141 497380754 /nfs/dbraw/zinc/38/07/54/497380754.db2.gz JVMGFAGYFCPJRQ-HNNXBMFYSA-N 1 2 374.428 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190159141 497380756 /nfs/dbraw/zinc/38/07/56/497380756.db2.gz JVMGFAGYFCPJRQ-HNNXBMFYSA-N 1 2 374.428 3.242 20 30 FGEDLO Cc1cccnc1OC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000279324748 497406481 /nfs/dbraw/zinc/40/64/81/497406481.db2.gz SPSNTHHBVNLMJZ-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000193621983 497430333 /nfs/dbraw/zinc/43/03/33/497430333.db2.gz QNDDYDVNHVNTEJ-MRXNPFEDSA-N 1 2 358.388 3.241 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000193621983 497430337 /nfs/dbraw/zinc/43/03/37/497430337.db2.gz QNDDYDVNHVNTEJ-MRXNPFEDSA-N 1 2 358.388 3.241 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)ccc1O ZINC000266885707 497438941 /nfs/dbraw/zinc/43/89/41/497438941.db2.gz BEXNOEQMSLGEFH-UHFFFAOYSA-N 1 2 371.462 3.087 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)ccc1O ZINC000266885707 497438945 /nfs/dbraw/zinc/43/89/45/497438945.db2.gz BEXNOEQMSLGEFH-UHFFFAOYSA-N 1 2 371.462 3.087 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)cs1)CC2 ZINC000275842949 497444987 /nfs/dbraw/zinc/44/49/87/497444987.db2.gz XWKPGSQMXLKZSL-HNNXBMFYSA-N 1 2 372.519 3.203 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)cs1)CC2 ZINC000275842949 497444993 /nfs/dbraw/zinc/44/49/93/497444993.db2.gz XWKPGSQMXLKZSL-HNNXBMFYSA-N 1 2 372.519 3.203 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245657038 497491099 /nfs/dbraw/zinc/49/10/99/497491099.db2.gz GGUWGBYFHUYQSD-TZIWHRDSSA-N 1 2 369.415 3.331 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245657038 497491105 /nfs/dbraw/zinc/49/11/05/497491105.db2.gz GGUWGBYFHUYQSD-TZIWHRDSSA-N 1 2 369.415 3.331 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805955 497547038 /nfs/dbraw/zinc/54/70/38/497547038.db2.gz PMAIUAJLZLJSEO-PBFPGSCMSA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805955 497547043 /nfs/dbraw/zinc/54/70/43/497547043.db2.gz PMAIUAJLZLJSEO-PBFPGSCMSA-N 1 2 365.271 3.089 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccc(F)cc1C#N ZINC000267548263 497576206 /nfs/dbraw/zinc/57/62/06/497576206.db2.gz BTKLRYHSQPJXSV-UHFFFAOYSA-N 1 2 355.295 3.120 20 30 FGEDLO Cc1cccc(COc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000578364960 505922823 /nfs/dbraw/zinc/92/28/23/505922823.db2.gz OVUDKEIWXBRZNN-NRFANRHFSA-N 1 2 351.450 3.148 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000191078476 497702424 /nfs/dbraw/zinc/70/24/24/497702424.db2.gz MAHBPOJPHXRQSY-UHFFFAOYSA-N 1 2 355.463 3.286 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000191078476 497702426 /nfs/dbraw/zinc/70/24/26/497702426.db2.gz MAHBPOJPHXRQSY-UHFFFAOYSA-N 1 2 355.463 3.286 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000191105915 497710621 /nfs/dbraw/zinc/71/06/21/497710621.db2.gz YGZPENTUVSPPRC-INIZCTEOSA-N 1 2 373.478 3.153 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000191105915 497710626 /nfs/dbraw/zinc/71/06/26/497710626.db2.gz YGZPENTUVSPPRC-INIZCTEOSA-N 1 2 373.478 3.153 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191144957 497724421 /nfs/dbraw/zinc/72/44/21/497724421.db2.gz MVTCUPMIYAZASC-KFWWJZLASA-N 1 2 361.511 3.253 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000280624339 497830391 /nfs/dbraw/zinc/83/03/91/497830391.db2.gz RYFLOPPTUYTXRO-OKILXGFUSA-N 1 2 353.422 3.321 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000280624339 497830400 /nfs/dbraw/zinc/83/04/00/497830400.db2.gz RYFLOPPTUYTXRO-OKILXGFUSA-N 1 2 353.422 3.321 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1)[NH+]1CCOCC1 ZINC000284651560 497854820 /nfs/dbraw/zinc/85/48/20/497854820.db2.gz MFBPJEOMKXUNPX-AWEZNQCLSA-N 1 2 353.397 3.343 20 30 FGEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283882 497880108 /nfs/dbraw/zinc/88/01/08/497880108.db2.gz CFPJMEVIHYWVOF-IRXDYDNUSA-N 1 2 351.368 3.127 20 30 FGEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283882 497880112 /nfs/dbraw/zinc/88/01/12/497880112.db2.gz CFPJMEVIHYWVOF-IRXDYDNUSA-N 1 2 351.368 3.127 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000329768312 497894707 /nfs/dbraw/zinc/89/47/07/497894707.db2.gz DOJWSMXNTSEIIP-UHFFFAOYSA-N 1 2 368.861 3.448 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000329768312 497894712 /nfs/dbraw/zinc/89/47/12/497894712.db2.gz DOJWSMXNTSEIIP-UHFFFAOYSA-N 1 2 368.861 3.448 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000364326558 497900499 /nfs/dbraw/zinc/90/04/99/497900499.db2.gz UUZMXCRAYWCQCG-UHFFFAOYSA-N 1 2 364.449 3.226 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000292214717 497925119 /nfs/dbraw/zinc/92/51/19/497925119.db2.gz OPHXIBDGNOTXSW-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4cccs4)n3)C2)nc1 ZINC000292214717 497925126 /nfs/dbraw/zinc/92/51/26/497925126.db2.gz OPHXIBDGNOTXSW-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO Cc1cnc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372373 497925580 /nfs/dbraw/zinc/92/55/80/497925580.db2.gz COVFYDNLBUZCJR-LSDHHAIUSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1cnc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372373 497925583 /nfs/dbraw/zinc/92/55/83/497925583.db2.gz COVFYDNLBUZCJR-LSDHHAIUSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)C2CC2)cc1 ZINC000329917278 497952931 /nfs/dbraw/zinc/95/29/31/497952931.db2.gz QTVIGHNDPURSJT-TYCQWZJGSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)C2CC2)cc1 ZINC000329917278 497952936 /nfs/dbraw/zinc/95/29/36/497952936.db2.gz QTVIGHNDPURSJT-TYCQWZJGSA-N 1 2 358.482 3.282 20 30 FGEDLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000569522252 505954144 /nfs/dbraw/zinc/95/41/44/505954144.db2.gz GPTNWXDBGCTXBL-UHFFFAOYSA-N 1 2 361.449 3.288 20 30 FGEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000569522252 505954150 /nfs/dbraw/zinc/95/41/50/505954150.db2.gz GPTNWXDBGCTXBL-UHFFFAOYSA-N 1 2 361.449 3.288 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000329966589 497973812 /nfs/dbraw/zinc/97/38/12/497973812.db2.gz VCFQMHNVRIGCNE-KPFFTGBYSA-N 1 2 368.481 3.178 20 30 FGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1SCCc2ccccc21 ZINC000330185672 498054692 /nfs/dbraw/zinc/05/46/92/498054692.db2.gz JGWRMEVZOKQPIM-SFHVURJKSA-N 1 2 370.522 3.296 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1(C)C ZINC000296492310 498065572 /nfs/dbraw/zinc/06/55/72/498065572.db2.gz XMFOIBCALHXPPM-OAHLLOKOSA-N 1 2 354.458 3.463 20 30 FGEDLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000330228345 498070102 /nfs/dbraw/zinc/07/01/02/498070102.db2.gz CLACOEIAMZVSKQ-AZUAARDMSA-N 1 2 373.497 3.144 20 30 FGEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330264330 498085282 /nfs/dbraw/zinc/08/52/82/498085282.db2.gz XUEBBBWBQBMDPJ-DOTOQJQBSA-N 1 2 358.417 3.315 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000364682565 498088303 /nfs/dbraw/zinc/08/83/03/498088303.db2.gz BHDUOTQCXAQMFY-CYBMUJFWSA-N 1 2 355.467 3.491 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000330331502 498107533 /nfs/dbraw/zinc/10/75/33/498107533.db2.gz OCHHNXRUWZVMTF-MSOLQXFVSA-N 1 2 353.470 3.080 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000364746477 498125565 /nfs/dbraw/zinc/12/55/65/498125565.db2.gz PJTYMTPVAWXXGF-UHFFFAOYSA-N 1 2 368.868 3.102 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289407446 498134780 /nfs/dbraw/zinc/13/47/80/498134780.db2.gz SOJHCDJYOWQNOV-HNNXBMFYSA-N 1 2 352.413 3.241 20 30 FGEDLO CCC[C@](C)(CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330459968 498135916 /nfs/dbraw/zinc/13/59/16/498135916.db2.gz QJHIUKMXQGSXMK-SOLBZPMBSA-N 1 2 371.884 3.279 20 30 FGEDLO CCC[C@](C)(CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330459968 498135923 /nfs/dbraw/zinc/13/59/23/498135923.db2.gz QJHIUKMXQGSXMK-SOLBZPMBSA-N 1 2 371.884 3.279 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289448932 498151861 /nfs/dbraw/zinc/15/18/61/498151861.db2.gz FJMHUWWWAXOSCR-WMZOPIPTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289448932 498151863 /nfs/dbraw/zinc/15/18/63/498151863.db2.gz FJMHUWWWAXOSCR-WMZOPIPTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000285649081 498158881 /nfs/dbraw/zinc/15/88/81/498158881.db2.gz YGRUJLXRQOJFON-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000301661878 498211804 /nfs/dbraw/zinc/21/18/04/498211804.db2.gz XWEIHFWQIPYZNB-UGSOOPFHSA-N 1 2 362.393 3.299 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3cc4occc4s3)CC2)c(C#N)c[nH+]1 ZINC000572596009 506007053 /nfs/dbraw/zinc/00/70/53/506007053.db2.gz APFUWRAJWRBISF-UHFFFAOYSA-N 1 2 352.419 3.032 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000297026687 498293002 /nfs/dbraw/zinc/29/30/02/498293002.db2.gz HDDPRRSWRVPPIC-ZWOKBUDYSA-N 1 2 359.420 3.300 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000297026687 498293010 /nfs/dbraw/zinc/29/30/10/498293010.db2.gz HDDPRRSWRVPPIC-ZWOKBUDYSA-N 1 2 359.420 3.300 20 30 FGEDLO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361145966 498352033 /nfs/dbraw/zinc/35/20/33/498352033.db2.gz ZKQPYBYYWWYECC-UHFFFAOYSA-N 1 2 360.461 3.378 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000365235782 498364851 /nfs/dbraw/zinc/36/48/51/498364851.db2.gz YQMCKFKJAFQQQX-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000365235782 498364855 /nfs/dbraw/zinc/36/48/55/498364855.db2.gz YQMCKFKJAFQQQX-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361324803 498374700 /nfs/dbraw/zinc/37/47/00/498374700.db2.gz DMLAZLKGTJREPP-UHFFFAOYSA-N 1 2 361.449 3.208 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1OCCCC#N ZINC000289968739 498375093 /nfs/dbraw/zinc/37/50/93/498375093.db2.gz YZBHABWGPLNYBS-INIZCTEOSA-N 1 2 356.426 3.406 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1OCCCC#N ZINC000289968739 498375099 /nfs/dbraw/zinc/37/50/99/498375099.db2.gz YZBHABWGPLNYBS-INIZCTEOSA-N 1 2 356.426 3.406 20 30 FGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293541218 498407532 /nfs/dbraw/zinc/40/75/32/498407532.db2.gz QHMSUBOATNUAGS-QWHCGFSZSA-N 1 2 352.265 3.443 20 30 FGEDLO CC(C)[C@H](CNc1ccc(Br)cc1C#N)N1CC[NH+](C)CC1 ZINC000302194984 498437924 /nfs/dbraw/zinc/43/79/24/498437924.db2.gz SIGMYYJSSUAZHC-KRWDZBQOSA-N 1 2 365.319 3.005 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293686293 498454761 /nfs/dbraw/zinc/45/47/61/498454761.db2.gz RTZRWNPSSCMDPS-GOSISDBHSA-N 1 2 351.454 3.208 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877288 498484541 /nfs/dbraw/zinc/48/45/41/498484541.db2.gz HWIUQCHRKRRHML-BRWVUGGUSA-N 1 2 366.408 3.176 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877288 498484549 /nfs/dbraw/zinc/48/45/49/498484549.db2.gz HWIUQCHRKRRHML-BRWVUGGUSA-N 1 2 366.408 3.176 20 30 FGEDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCOCCC#N ZINC000293797516 498492297 /nfs/dbraw/zinc/49/22/97/498492297.db2.gz NAAITPRJXDNQRH-XJKSGUPXSA-N 1 2 353.260 3.141 20 30 FGEDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCOCCC#N ZINC000293797516 498492299 /nfs/dbraw/zinc/49/22/99/498492299.db2.gz NAAITPRJXDNQRH-XJKSGUPXSA-N 1 2 353.260 3.141 20 30 FGEDLO N#Cc1csc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000575962113 506043446 /nfs/dbraw/zinc/04/34/46/506043446.db2.gz ZOKDKZMUPCKENK-GFCCVEGCSA-N 1 2 354.357 3.082 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000575962113 506043451 /nfs/dbraw/zinc/04/34/51/506043451.db2.gz ZOKDKZMUPCKENK-GFCCVEGCSA-N 1 2 354.357 3.082 20 30 FGEDLO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccccc2c1=O ZINC000362425037 498515282 /nfs/dbraw/zinc/51/52/82/498515282.db2.gz NMHBADRYHOYDNC-UHFFFAOYSA-N 1 2 356.429 3.094 20 30 FGEDLO Cn1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc2ccccc2c1=O ZINC000362425037 498515288 /nfs/dbraw/zinc/51/52/88/498515288.db2.gz NMHBADRYHOYDNC-UHFFFAOYSA-N 1 2 356.429 3.094 20 30 FGEDLO C=CCCCCCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000287016353 498591933 /nfs/dbraw/zinc/59/19/33/498591933.db2.gz LFGZLEYBVXJOCP-YLJYHZDGSA-N 1 2 372.513 3.115 20 30 FGEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1Br ZINC000297877822 498596877 /nfs/dbraw/zinc/59/68/77/498596877.db2.gz UPMVYFAUDMMECU-UHFFFAOYSA-N 1 2 372.213 3.236 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365755411 498625485 /nfs/dbraw/zinc/62/54/85/498625485.db2.gz ALMKUJYCTIOEAL-GOSISDBHSA-N 1 2 371.444 3.305 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365755411 498625490 /nfs/dbraw/zinc/62/54/90/498625490.db2.gz ALMKUJYCTIOEAL-GOSISDBHSA-N 1 2 371.444 3.305 20 30 FGEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000578976176 506066147 /nfs/dbraw/zinc/06/61/47/506066147.db2.gz VFOWUIGQLVOTLG-SYCZXOQXSA-N 1 2 371.449 3.366 20 30 FGEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000578976176 506066152 /nfs/dbraw/zinc/06/61/52/506066152.db2.gz VFOWUIGQLVOTLG-SYCZXOQXSA-N 1 2 371.449 3.366 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103156 498650258 /nfs/dbraw/zinc/65/02/58/498650258.db2.gz CVQIPICXWCLFPP-BXUZGUMPSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103156 498650265 /nfs/dbraw/zinc/65/02/65/498650265.db2.gz CVQIPICXWCLFPP-BXUZGUMPSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103159 498650332 /nfs/dbraw/zinc/65/03/32/498650332.db2.gz CVQIPICXWCLFPP-SMDDNHRTSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103159 498650340 /nfs/dbraw/zinc/65/03/40/498650340.db2.gz CVQIPICXWCLFPP-SMDDNHRTSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1C#N ZINC000332441401 498688416 /nfs/dbraw/zinc/68/84/16/498688416.db2.gz JBHRWGMGTQWURR-CQSZACIVSA-N 1 2 371.466 3.423 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000332451179 498691617 /nfs/dbraw/zinc/69/16/17/498691617.db2.gz MRONICGNDUAEOJ-CYBMUJFWSA-N 1 2 357.439 3.115 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000579015008 506075020 /nfs/dbraw/zinc/07/50/20/506075020.db2.gz ZTHAMRPFAXWSNI-GOSISDBHSA-N 1 2 358.829 3.101 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334584 498720339 /nfs/dbraw/zinc/72/03/39/498720339.db2.gz KQPPVGTUUTXTFD-KZNAEPCWSA-N 1 2 368.437 3.053 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334584 498720345 /nfs/dbraw/zinc/72/03/45/498720345.db2.gz KQPPVGTUUTXTFD-KZNAEPCWSA-N 1 2 368.437 3.053 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCOC)Cc1ccccn1 ZINC000287334984 498720468 /nfs/dbraw/zinc/72/04/68/498720468.db2.gz KSOQXBKJDMDRBW-UHFFFAOYSA-N 1 2 371.506 3.447 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCOC)Cc1ccccn1 ZINC000287334984 498720460 /nfs/dbraw/zinc/72/04/60/498720460.db2.gz KSOQXBKJDMDRBW-UHFFFAOYSA-N 1 2 371.506 3.447 20 30 FGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000579070212 506086231 /nfs/dbraw/zinc/08/62/31/506086231.db2.gz HWXRVBHUWHZVJQ-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000570098153 506090051 /nfs/dbraw/zinc/09/00/51/506090051.db2.gz OSYITGIZIHMKHD-OAQYLSRUSA-N 1 2 362.433 3.119 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)sc1SCC#N ZINC000363394128 498798193 /nfs/dbraw/zinc/79/81/93/498798193.db2.gz WTCSWKSRLKIHSH-CYBMUJFWSA-N 1 2 373.507 3.317 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000294984322 498871012 /nfs/dbraw/zinc/87/10/12/498871012.db2.gz OSVPJDJBDMMXGM-WBMJQRKESA-N 1 2 373.254 3.241 20 30 FGEDLO C[C@H]1CCN(C([O-])=[NH+]c2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000328730215 498918407 /nfs/dbraw/zinc/91/84/07/498918407.db2.gz FYVXVIJWJSMRPB-DOTOQJQBSA-N 1 2 350.426 3.197 20 30 FGEDLO Cc1cn2cc(NC(=O)N3CCN(c4nc(C)c(C)s4)CC3)ccc2[nH+]1 ZINC000328746454 498924392 /nfs/dbraw/zinc/92/43/92/498924392.db2.gz OSSGDYVYCUYJLQ-UHFFFAOYSA-N 1 2 370.482 3.084 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000328861201 498964053 /nfs/dbraw/zinc/96/40/53/498964053.db2.gz ZGJVBVCIKOQEKB-HOTGVXAUSA-N 1 2 364.515 3.318 20 30 FGEDLO O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328894358 498976386 /nfs/dbraw/zinc/97/63/86/498976386.db2.gz ATUQETCXTRJJST-LSDHHAIUSA-N 1 2 374.435 3.345 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCCC2(O)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328899348 498979491 /nfs/dbraw/zinc/97/94/91/498979491.db2.gz XGMSJUDRZGGDLH-JKSUJKDBSA-N 1 2 369.868 3.033 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCCC2(O)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328899348 498979502 /nfs/dbraw/zinc/97/95/02/498979502.db2.gz XGMSJUDRZGGDLH-JKSUJKDBSA-N 1 2 369.868 3.033 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Cl)c1 ZINC000328920439 498985950 /nfs/dbraw/zinc/98/59/50/498985950.db2.gz BBQRBGDKAPKUAF-YUELXQCFSA-N 1 2 364.877 3.236 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Cl)c1 ZINC000328920439 498985955 /nfs/dbraw/zinc/98/59/55/498985955.db2.gz BBQRBGDKAPKUAF-YUELXQCFSA-N 1 2 364.877 3.236 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c(F)c1 ZINC000328949856 498996115 /nfs/dbraw/zinc/99/61/15/498996115.db2.gz LAHFZIWURYUHJI-HOTGVXAUSA-N 1 2 367.428 3.082 20 30 FGEDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959454 498998271 /nfs/dbraw/zinc/99/82/71/498998271.db2.gz OZVHLFHHDAGNCX-ZFWWWQNUSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959454 498998278 /nfs/dbraw/zinc/99/82/78/498998278.db2.gz OZVHLFHHDAGNCX-ZFWWWQNUSA-N 1 2 361.442 3.167 20 30 FGEDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363807506 499002838 /nfs/dbraw/zinc/00/28/38/499002838.db2.gz WGIHXBYXYJKJTB-NSHDSACASA-N 1 2 368.422 3.174 20 30 FGEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCCCC2 ZINC000329025395 499018255 /nfs/dbraw/zinc/01/82/55/499018255.db2.gz JKHWCOSQELJOGU-UHFFFAOYSA-N 1 2 365.424 3.420 20 30 FGEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCCCC2 ZINC000329025395 499018258 /nfs/dbraw/zinc/01/82/58/499018258.db2.gz JKHWCOSQELJOGU-UHFFFAOYSA-N 1 2 365.424 3.420 20 30 FGEDLO O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000329141068 499053049 /nfs/dbraw/zinc/05/30/49/499053049.db2.gz JYUAQMXAZAYPAI-RDJZCZTQSA-N 1 2 367.453 3.031 20 30 FGEDLO CC(C)[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCO1 ZINC000329152913 499057681 /nfs/dbraw/zinc/05/76/81/499057681.db2.gz UBCMCIVXCVYPIQ-PMPSAXMXSA-N 1 2 362.518 3.203 20 30 FGEDLO CC(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCO1 ZINC000329152913 499057686 /nfs/dbraw/zinc/05/76/86/499057686.db2.gz UBCMCIVXCVYPIQ-PMPSAXMXSA-N 1 2 362.518 3.203 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329192206 499068167 /nfs/dbraw/zinc/06/81/67/499068167.db2.gz RWPSDZULNIMILM-HZSPNIEDSA-N 1 2 352.504 3.268 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329192206 499068168 /nfs/dbraw/zinc/06/81/68/499068168.db2.gz RWPSDZULNIMILM-HZSPNIEDSA-N 1 2 352.504 3.268 20 30 FGEDLO CC1(C)[NH2+]C2(CCN(c3ccc(C#N)cc3)CC2)N(CC2CCCC2)C1=O ZINC000333913252 499097879 /nfs/dbraw/zinc/09/78/79/499097879.db2.gz FTRRKBHLHRPEGK-UHFFFAOYSA-N 1 2 366.509 3.255 20 30 FGEDLO Cc1cc(=O)c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1C1CC1 ZINC000329451736 499123231 /nfs/dbraw/zinc/12/32/31/499123231.db2.gz OYPJSKKQWZKCST-CQSZACIVSA-N 1 2 368.481 3.305 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329481451 499127152 /nfs/dbraw/zinc/12/71/52/499127152.db2.gz DLFOZXWMKOOVCS-LFPRZYRFSA-N 1 2 371.529 3.288 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329481451 499127153 /nfs/dbraw/zinc/12/71/53/499127153.db2.gz DLFOZXWMKOOVCS-LFPRZYRFSA-N 1 2 371.529 3.288 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329488979 499127821 /nfs/dbraw/zinc/12/78/21/499127821.db2.gz YFPSYYUNXMFAEP-INIZCTEOSA-N 1 2 365.481 3.280 20 30 FGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000372583806 499149341 /nfs/dbraw/zinc/14/93/41/499149341.db2.gz FYRORWZQVMAPIP-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000372583806 499149342 /nfs/dbraw/zinc/14/93/42/499149342.db2.gz FYRORWZQVMAPIP-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCCn3cc[nH+]c32)cnn1-c1cccc(C#N)c1 ZINC000372678411 499159507 /nfs/dbraw/zinc/15/95/07/499159507.db2.gz RNWWNIGVJAHPRQ-QGZVFWFLSA-N 1 2 374.448 3.409 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000370481958 499224687 /nfs/dbraw/zinc/22/46/87/499224687.db2.gz ALXGSBRMMSAYGD-YWZLYKJASA-N 1 2 353.372 3.470 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000370481958 499224689 /nfs/dbraw/zinc/22/46/89/499224689.db2.gz ALXGSBRMMSAYGD-YWZLYKJASA-N 1 2 353.372 3.470 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000368564855 499308002 /nfs/dbraw/zinc/30/80/02/499308002.db2.gz WRRJPCHPBICNTQ-MRXNPFEDSA-N 1 2 356.470 3.193 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000368668344 499319992 /nfs/dbraw/zinc/31/99/92/499319992.db2.gz LCAFQKOYOMYKBJ-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000368668344 499319993 /nfs/dbraw/zinc/31/99/93/499319993.db2.gz LCAFQKOYOMYKBJ-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000368668344 499319994 /nfs/dbraw/zinc/31/99/94/499319994.db2.gz LCAFQKOYOMYKBJ-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000368668344 499319995 /nfs/dbraw/zinc/31/99/95/499319995.db2.gz LCAFQKOYOMYKBJ-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000371397184 499320541 /nfs/dbraw/zinc/32/05/41/499320541.db2.gz NGCRZIIGZOZCTN-IBGZPJMESA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000371397184 499320543 /nfs/dbraw/zinc/32/05/43/499320543.db2.gz NGCRZIIGZOZCTN-IBGZPJMESA-N 1 2 352.482 3.412 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371696638 499356315 /nfs/dbraw/zinc/35/63/15/499356315.db2.gz ORJSVGPTBKNGDI-NXOUGTEYSA-N 1 2 362.424 3.044 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000371696638 499356316 /nfs/dbraw/zinc/35/63/16/499356316.db2.gz ORJSVGPTBKNGDI-NXOUGTEYSA-N 1 2 362.424 3.044 20 30 FGEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000369084160 499364058 /nfs/dbraw/zinc/36/40/58/499364058.db2.gz LJLUSDVICOZZFH-OAHLLOKOSA-N 1 2 350.344 3.250 20 30 FGEDLO CCOc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491902 499408579 /nfs/dbraw/zinc/40/85/79/499408579.db2.gz SYWUHMDMWNZOJQ-QVKFZJNVSA-N 1 2 365.408 3.070 20 30 FGEDLO CCOc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491902 499408580 /nfs/dbraw/zinc/40/85/80/499408580.db2.gz SYWUHMDMWNZOJQ-QVKFZJNVSA-N 1 2 365.408 3.070 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000369516302 499411231 /nfs/dbraw/zinc/41/12/31/499411231.db2.gz CWXWRJOBTKPQQZ-ZHRRBRCNSA-N 1 2 370.412 3.187 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000369516302 499411232 /nfs/dbraw/zinc/41/12/32/499411232.db2.gz CWXWRJOBTKPQQZ-ZHRRBRCNSA-N 1 2 370.412 3.187 20 30 FGEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000372969784 499445236 /nfs/dbraw/zinc/44/52/36/499445236.db2.gz OKLWMZRQKYARDR-UHFFFAOYSA-N 1 2 351.853 3.431 20 30 FGEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000372969784 499445237 /nfs/dbraw/zinc/44/52/37/499445237.db2.gz OKLWMZRQKYARDR-UHFFFAOYSA-N 1 2 351.853 3.431 20 30 FGEDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373037136 499448477 /nfs/dbraw/zinc/44/84/77/499448477.db2.gz OIMNAIREUIJZLU-QGZVFWFLSA-N 1 2 362.836 3.030 20 30 FGEDLO N#C[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCc2ccccc2C1 ZINC000378459913 499519496 /nfs/dbraw/zinc/51/94/96/499519496.db2.gz USTITINXJQRVNM-QHCPKHFHSA-N 1 2 370.456 3.246 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375558371 499532186 /nfs/dbraw/zinc/53/21/86/499532186.db2.gz QWMCFVQIRKMWAA-NRFANRHFSA-N 1 2 364.445 3.144 20 30 FGEDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000378623669 499538583 /nfs/dbraw/zinc/53/85/83/499538583.db2.gz NNPFTHUQMOELGO-MRXNPFEDSA-N 1 2 359.433 3.482 20 30 FGEDLO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000394164237 499561236 /nfs/dbraw/zinc/56/12/36/499561236.db2.gz PUNCFJWMKRCGLE-KRWDZBQOSA-N 1 2 356.857 3.228 20 30 FGEDLO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000394164237 499561237 /nfs/dbraw/zinc/56/12/37/499561237.db2.gz PUNCFJWMKRCGLE-KRWDZBQOSA-N 1 2 356.857 3.228 20 30 FGEDLO CC(C)(C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000376049301 499578832 /nfs/dbraw/zinc/57/88/32/499578832.db2.gz ANLBCDSQOWJTCO-UHFFFAOYSA-N 1 2 366.440 3.109 20 30 FGEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000376359003 499602729 /nfs/dbraw/zinc/60/27/29/499602729.db2.gz JGHXFOUUVGBQRL-WXTAPIANSA-N 1 2 365.458 3.423 20 30 FGEDLO CCCCCCCOc1cccc(C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC000376457763 499610231 /nfs/dbraw/zinc/61/02/31/499610231.db2.gz JYVCQDCQIYKLFW-UHFFFAOYSA-N 1 2 358.486 3.447 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(Br)cc1C#N ZINC000376520100 499614935 /nfs/dbraw/zinc/61/49/35/499614935.db2.gz TYHFECSCQHXDSN-UHFFFAOYSA-N 1 2 359.271 3.486 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000376792923 499634591 /nfs/dbraw/zinc/63/45/91/499634591.db2.gz BVGRFQXTGRRDDK-HNNXBMFYSA-N 1 2 353.426 3.161 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)C1=O ZINC000410341882 499655969 /nfs/dbraw/zinc/65/59/69/499655969.db2.gz DGMUIXCGYMGKJF-FQEVSTJZSA-N 1 2 352.482 3.016 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccccc3C)c2C)C1=O ZINC000410341882 499655970 /nfs/dbraw/zinc/65/59/70/499655970.db2.gz DGMUIXCGYMGKJF-FQEVSTJZSA-N 1 2 352.482 3.016 20 30 FGEDLO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)c(F)c1 ZINC000410368617 499658073 /nfs/dbraw/zinc/65/80/73/499658073.db2.gz NPFZONBOSYZEGN-UHFFFAOYSA-N 1 2 366.408 3.040 20 30 FGEDLO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)c(F)c1 ZINC000410368617 499658074 /nfs/dbraw/zinc/65/80/74/499658074.db2.gz NPFZONBOSYZEGN-UHFFFAOYSA-N 1 2 366.408 3.040 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(OC)c1OC ZINC000377251252 499673884 /nfs/dbraw/zinc/67/38/84/499673884.db2.gz POYDKFMYQQYUNC-LJQANCHMSA-N 1 2 368.433 3.158 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(OC)c1OC ZINC000377251252 499673885 /nfs/dbraw/zinc/67/38/85/499673885.db2.gz POYDKFMYQQYUNC-LJQANCHMSA-N 1 2 368.433 3.158 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000414141855 499764017 /nfs/dbraw/zinc/76/40/17/499764017.db2.gz IMDBZOJMONSOGK-MRXNPFEDSA-N 1 2 363.255 3.187 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000414141855 499764018 /nfs/dbraw/zinc/76/40/18/499764018.db2.gz IMDBZOJMONSOGK-MRXNPFEDSA-N 1 2 363.255 3.187 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@H+]3CCOC[C@@H]3C)o2)cc1 ZINC000413004843 499903780 /nfs/dbraw/zinc/90/37/80/499903780.db2.gz XZTOVBVVWMWZFH-AWEZNQCLSA-N 1 2 361.467 3.114 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@@H+]3CCOC[C@@H]3C)o2)cc1 ZINC000413004843 499903781 /nfs/dbraw/zinc/90/37/81/499903781.db2.gz XZTOVBVVWMWZFH-AWEZNQCLSA-N 1 2 361.467 3.114 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c2[nH+]ccn21 ZINC000573300138 506165968 /nfs/dbraw/zinc/16/59/68/506165968.db2.gz NUOULCOFKAQBQT-YOEHRIQHSA-N 1 2 360.421 3.096 20 30 FGEDLO Cc1ccoc1C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000429407285 500070969 /nfs/dbraw/zinc/07/09/69/500070969.db2.gz VGPFXBZDCWEBKP-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO Cc1ccoc1C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000429407285 500070971 /nfs/dbraw/zinc/07/09/71/500070971.db2.gz VGPFXBZDCWEBKP-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO N#Cc1ccc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1O ZINC000425318780 500073109 /nfs/dbraw/zinc/07/31/09/500073109.db2.gz PFVABJXZTPGNHJ-UHFFFAOYSA-N 1 2 360.417 3.235 20 30 FGEDLO C[C@@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@H]1C(=O)OC(C)(C)C ZINC000425360442 500084829 /nfs/dbraw/zinc/08/48/29/500084829.db2.gz VSEBGZIAGFIHIH-RDTXWAMCSA-N 1 2 354.454 3.148 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000430255424 500216269 /nfs/dbraw/zinc/21/62/69/500216269.db2.gz FDFNXENXFJATLK-LJQANCHMSA-N 1 2 371.444 3.236 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1 ZINC000426415032 500270827 /nfs/dbraw/zinc/27/08/27/500270827.db2.gz CMXCTNXKEWTDKH-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1 ZINC000426415032 500270829 /nfs/dbraw/zinc/27/08/29/500270829.db2.gz CMXCTNXKEWTDKH-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO COc1cc(Cl)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000430881578 500301256 /nfs/dbraw/zinc/30/12/56/500301256.db2.gz CMBUZAQMXYGEQR-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432010223 500454662 /nfs/dbraw/zinc/45/46/62/500454662.db2.gz BXBHONITTZPFOZ-SFHVURJKSA-N 1 2 360.408 3.148 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432010223 500454664 /nfs/dbraw/zinc/45/46/64/500454664.db2.gz BXBHONITTZPFOZ-SFHVURJKSA-N 1 2 360.408 3.148 20 30 FGEDLO N#Cc1ccc(OC2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000432244382 500488083 /nfs/dbraw/zinc/48/80/83/500488083.db2.gz DPEUUSJRWFBMDJ-UHFFFAOYSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000428816166 500561386 /nfs/dbraw/zinc/56/13/86/500561386.db2.gz HUMNBQVINVDPDR-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000428816166 500561389 /nfs/dbraw/zinc/56/13/89/500561389.db2.gz HUMNBQVINVDPDR-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1)C1CC1 ZINC000442425411 500590334 /nfs/dbraw/zinc/59/03/34/500590334.db2.gz ZROICKADLPQXPM-UHFFFAOYSA-N 1 2 366.465 3.466 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)ccc1C#N ZINC000442802558 500627568 /nfs/dbraw/zinc/62/75/68/500627568.db2.gz QAHMAKPYXHFEGH-UHFFFAOYSA-N 1 2 365.481 3.111 20 30 FGEDLO COC(=O)CC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1cccc(F)c1F ZINC000442887482 500640651 /nfs/dbraw/zinc/64/06/51/500640651.db2.gz YODDHYUERWUDRA-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1cccc(F)c1F ZINC000442887482 500640653 /nfs/dbraw/zinc/64/06/53/500640653.db2.gz YODDHYUERWUDRA-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)ccc1C#N ZINC000442893261 500642647 /nfs/dbraw/zinc/64/26/47/500642647.db2.gz XILFTBFFXVUJNJ-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433325639 500672734 /nfs/dbraw/zinc/67/27/34/500672734.db2.gz JSPNJGVWKSBXGU-CQSZACIVSA-N 1 2 351.878 3.047 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433325639 500672738 /nfs/dbraw/zinc/67/27/38/500672738.db2.gz JSPNJGVWKSBXGU-CQSZACIVSA-N 1 2 351.878 3.047 20 30 FGEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000447842486 500675887 /nfs/dbraw/zinc/67/58/87/500675887.db2.gz INYGZSBFBXMRAM-QGZVFWFLSA-N 1 2 363.889 3.334 20 30 FGEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000447842486 500675889 /nfs/dbraw/zinc/67/58/89/500675889.db2.gz INYGZSBFBXMRAM-QGZVFWFLSA-N 1 2 363.889 3.334 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433350448 500678359 /nfs/dbraw/zinc/67/83/59/500678359.db2.gz FQUKKZXLVZDPMA-AZUAARDMSA-N 1 2 362.477 3.059 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000570643262 506209755 /nfs/dbraw/zinc/20/97/55/506209755.db2.gz RDDPIMHCLMNUQI-DZGCQCFKSA-N 1 2 356.451 3.301 20 30 FGEDLO C=CCc1cc(CNc2cc(N3CCCC3)nc[nH+]2)cc(OC)c1OC ZINC000434103055 500796598 /nfs/dbraw/zinc/79/65/98/500796598.db2.gz WDTJKXRGLLMJOX-UHFFFAOYSA-N 1 2 354.454 3.435 20 30 FGEDLO C=CCc1cc(CNc2cc(N3CCCC3)[nH+]cn2)cc(OC)c1OC ZINC000434103055 500796600 /nfs/dbraw/zinc/79/66/00/500796600.db2.gz WDTJKXRGLLMJOX-UHFFFAOYSA-N 1 2 354.454 3.435 20 30 FGEDLO N#Cc1ccc(NCC(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000434369617 500833658 /nfs/dbraw/zinc/83/36/58/500833658.db2.gz LUWNPSIXANAWRM-UHFFFAOYSA-N 1 2 373.460 3.116 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434498490 500852233 /nfs/dbraw/zinc/85/22/33/500852233.db2.gz UDANCZDFWIGKSO-UHFFFAOYSA-N 1 2 372.465 3.293 20 30 FGEDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1C ZINC000444784902 500900497 /nfs/dbraw/zinc/90/04/97/500900497.db2.gz PMEGFFZASGWDPM-UHFFFAOYSA-N 1 2 373.840 3.222 20 30 FGEDLO CCCc1c(NC(=O)Nc2cc[nH+]cc2C)cnn1-c1cccc(C#N)c1 ZINC000439686901 500926345 /nfs/dbraw/zinc/92/63/45/500926345.db2.gz UYXFLKREHGHYEE-UHFFFAOYSA-N 1 2 360.421 3.466 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450410481 501114224 /nfs/dbraw/zinc/11/42/24/501114224.db2.gz VUVZFNGCSZZVBS-AEFFLSMTSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450410481 501114229 /nfs/dbraw/zinc/11/42/29/501114229.db2.gz VUVZFNGCSZZVBS-AEFFLSMTSA-N 1 2 374.847 3.255 20 30 FGEDLO Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc(C#N)c1[N+](=O)[O-] ZINC000596064652 506236436 /nfs/dbraw/zinc/23/64/36/506236436.db2.gz ZNMCXTGGKZHOOI-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446911465 501180648 /nfs/dbraw/zinc/18/06/48/501180648.db2.gz SCPOUMLNLLKLMC-UHFFFAOYSA-N 1 2 371.916 3.392 20 30 FGEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000446916081 501181568 /nfs/dbraw/zinc/18/15/68/501181568.db2.gz HYDXJCSWPLVDGM-UHFFFAOYSA-N 1 2 361.902 3.056 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450252756 501219279 /nfs/dbraw/zinc/21/92/79/501219279.db2.gz ALXOQNAFOHQFQS-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451013673 501239181 /nfs/dbraw/zinc/23/91/81/501239181.db2.gz AWTAGMDSPXHKRX-LJQANCHMSA-N 1 2 366.440 3.346 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451013673 501239182 /nfs/dbraw/zinc/23/91/82/501239182.db2.gz AWTAGMDSPXHKRX-LJQANCHMSA-N 1 2 366.440 3.346 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451369555 501277108 /nfs/dbraw/zinc/27/71/08/501277108.db2.gz BJKFRJMPFZACEM-OAHLLOKOSA-N 1 2 354.479 3.404 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451369555 501277111 /nfs/dbraw/zinc/27/71/11/501277111.db2.gz BJKFRJMPFZACEM-OAHLLOKOSA-N 1 2 354.479 3.404 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3nc4ncccc4cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000596077366 506244928 /nfs/dbraw/zinc/24/49/28/506244928.db2.gz VFBHRYKAMRSEPQ-GJZGRUSLSA-N 1 2 374.448 3.122 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000455454215 501306711 /nfs/dbraw/zinc/30/67/11/501306711.db2.gz BTIMDQQGBRLIBV-OAHLLOKOSA-N 1 2 367.453 3.089 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451565318 501325895 /nfs/dbraw/zinc/32/58/95/501325895.db2.gz HOOXSOFEORBONV-OAHLLOKOSA-N 1 2 364.287 3.001 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451565318 501325892 /nfs/dbraw/zinc/32/58/92/501325892.db2.gz HOOXSOFEORBONV-OAHLLOKOSA-N 1 2 364.287 3.001 20 30 FGEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 ZINC000453578948 501353008 /nfs/dbraw/zinc/35/30/08/501353008.db2.gz VTSXNVODKJQJHN-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO C=CCOc1cccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 ZINC000453578948 501353010 /nfs/dbraw/zinc/35/30/10/501353010.db2.gz VTSXNVODKJQJHN-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000455767306 501382066 /nfs/dbraw/zinc/38/20/66/501382066.db2.gz JAIYNBWPZDUYCH-CQSZACIVSA-N 1 2 353.426 3.138 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000455767306 501382068 /nfs/dbraw/zinc/38/20/68/501382068.db2.gz JAIYNBWPZDUYCH-CQSZACIVSA-N 1 2 353.426 3.138 20 30 FGEDLO N#Cc1ccc(CN(CC[NH+]2CCOCC2)Cc2ccco2)c(Cl)c1 ZINC000452049901 501425253 /nfs/dbraw/zinc/42/52/53/501425253.db2.gz PWONCYLWUJGDDG-UHFFFAOYSA-N 1 2 359.857 3.139 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c(Cl)c1 ZINC000452049901 501425255 /nfs/dbraw/zinc/42/52/55/501425255.db2.gz PWONCYLWUJGDDG-UHFFFAOYSA-N 1 2 359.857 3.139 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)c(Cl)c1 ZINC000452049901 501425258 /nfs/dbraw/zinc/42/52/58/501425258.db2.gz PWONCYLWUJGDDG-UHFFFAOYSA-N 1 2 359.857 3.139 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456047498 501444132 /nfs/dbraw/zinc/44/41/32/501444132.db2.gz UHLZEQCEVAMGEK-UHFFFAOYSA-N 1 2 350.466 3.318 20 30 FGEDLO Cc1cc(C)c(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c[nH+]1 ZINC000454021249 501445094 /nfs/dbraw/zinc/44/50/94/501445094.db2.gz DEBZWBBRNSGKFO-UHFFFAOYSA-N 1 2 370.478 3.184 20 30 FGEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626829 501492487 /nfs/dbraw/zinc/49/24/87/501492487.db2.gz PVHSWXBQKBHLRC-IRXDYDNUSA-N 1 2 351.853 3.279 20 30 FGEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626829 501492490 /nfs/dbraw/zinc/49/24/90/501492490.db2.gz PVHSWXBQKBHLRC-IRXDYDNUSA-N 1 2 351.853 3.279 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)Cc3c(F)cccc3C#N)ccc2n1[C@@H](C)CO ZINC000456700911 501580889 /nfs/dbraw/zinc/58/08/89/501580889.db2.gz PAQNJLOWOCHKNY-LBPRGKRZSA-N 1 2 366.396 3.090 20 30 FGEDLO Cc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000596108797 506263563 /nfs/dbraw/zinc/26/35/63/506263563.db2.gz QHJHGQIFFYQGIC-UHFFFAOYSA-N 1 2 353.304 3.170 20 30 FGEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349382 501636691 /nfs/dbraw/zinc/63/66/91/501636691.db2.gz ZUUMNVLWPMCQDJ-UHFFFAOYSA-N 1 2 366.421 3.190 20 30 FGEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349382 501636692 /nfs/dbraw/zinc/63/66/92/501636692.db2.gz ZUUMNVLWPMCQDJ-UHFFFAOYSA-N 1 2 366.421 3.190 20 30 FGEDLO CCOc1cc(C[NH+]2CCC(F)(C#N)CC2)cc(Br)c1O ZINC000459545646 501673874 /nfs/dbraw/zinc/67/38/74/501673874.db2.gz QLXIQOOLLYYNDR-UHFFFAOYSA-N 1 2 357.223 3.381 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)nc1 ZINC000459566304 501678083 /nfs/dbraw/zinc/67/80/83/501678083.db2.gz YNLNWDLASLWMBT-AWEZNQCLSA-N 1 2 374.238 3.075 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)nc1 ZINC000459566304 501678086 /nfs/dbraw/zinc/67/80/86/501678086.db2.gz YNLNWDLASLWMBT-AWEZNQCLSA-N 1 2 374.238 3.075 20 30 FGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459772970 501712095 /nfs/dbraw/zinc/71/20/95/501712095.db2.gz VCZUGGQTSGPTMG-HNNXBMFYSA-N 1 2 360.454 3.034 20 30 FGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459772970 501712098 /nfs/dbraw/zinc/71/20/98/501712098.db2.gz VCZUGGQTSGPTMG-HNNXBMFYSA-N 1 2 360.454 3.034 20 30 FGEDLO C=CCC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000455237299 501713975 /nfs/dbraw/zinc/71/39/75/501713975.db2.gz OHQABEORPRSPRD-UHFFFAOYSA-N 1 2 372.513 3.075 20 30 FGEDLO N#CCCCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000588326758 506270468 /nfs/dbraw/zinc/27/04/68/506270468.db2.gz FRFIAGWMWDPZEH-UHFFFAOYSA-N 1 2 373.888 3.106 20 30 FGEDLO C[C@@H](C(=O)N(CC[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000463609701 501774906 /nfs/dbraw/zinc/77/49/06/501774906.db2.gz CTJZKOHLEUMMRE-GOSISDBHSA-N 1 2 363.461 3.027 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000467519962 501815868 /nfs/dbraw/zinc/81/58/68/501815868.db2.gz TZMNLAYBFYUTEV-SFHVURJKSA-N 1 2 358.873 3.053 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000467519962 501815872 /nfs/dbraw/zinc/81/58/72/501815872.db2.gz TZMNLAYBFYUTEV-SFHVURJKSA-N 1 2 358.873 3.053 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1F)Cc1ccccc1Cl ZINC000588351054 506275498 /nfs/dbraw/zinc/27/54/98/506275498.db2.gz OSBMFJCDZJRIMY-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1F)Cc1ccccc1Cl ZINC000588351054 506275505 /nfs/dbraw/zinc/27/55/05/506275505.db2.gz OSBMFJCDZJRIMY-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000596139865 506276216 /nfs/dbraw/zinc/27/62/16/506276216.db2.gz WFOZUQVHGNZANV-AWEZNQCLSA-N 1 2 355.873 3.447 20 30 FGEDLO C=C(C)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000470908847 501851743 /nfs/dbraw/zinc/85/17/43/501851743.db2.gz JYXIQVKZSQNPQL-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO C=C(C)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000470908847 501851749 /nfs/dbraw/zinc/85/17/49/501851749.db2.gz JYXIQVKZSQNPQL-UHFFFAOYSA-N 1 2 354.475 3.410 20 30 FGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000467740492 501857458 /nfs/dbraw/zinc/85/74/58/501857458.db2.gz NKFPFWGREUHRFC-UHFFFAOYSA-N 1 2 366.509 3.364 20 30 FGEDLO C=CCC(CC=C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000467740492 501857462 /nfs/dbraw/zinc/85/74/62/501857462.db2.gz NKFPFWGREUHRFC-UHFFFAOYSA-N 1 2 366.509 3.364 20 30 FGEDLO C[N@@H+]1CCN(C(=O)CSc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000481943988 501925156 /nfs/dbraw/zinc/92/51/56/501925156.db2.gz JRTAKPPAFHSRCK-IBGZPJMESA-N 1 2 351.475 3.166 20 30 FGEDLO C[N@H+]1CCN(C(=O)CSc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000481943988 501925162 /nfs/dbraw/zinc/92/51/62/501925162.db2.gz JRTAKPPAFHSRCK-IBGZPJMESA-N 1 2 351.475 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000471206898 501955546 /nfs/dbraw/zinc/95/55/46/501955546.db2.gz IECRJAJPFSPLIQ-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000471206898 501955551 /nfs/dbraw/zinc/95/55/51/501955551.db2.gz IECRJAJPFSPLIQ-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@@H](C(=O)OCC)C2CCOCC2)cc1Cl ZINC000475133760 502073785 /nfs/dbraw/zinc/07/37/85/502073785.db2.gz DMPWVFFVLQXWGF-GOSISDBHSA-N 1 2 367.873 3.353 20 30 FGEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000464725062 502074655 /nfs/dbraw/zinc/07/46/55/502074655.db2.gz LPUWPWVSFNDOOF-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000464725062 502074658 /nfs/dbraw/zinc/07/46/58/502074658.db2.gz LPUWPWVSFNDOOF-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO N#CC1(F)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000478956733 502130433 /nfs/dbraw/zinc/13/04/33/502130433.db2.gz IOLPGDMLOSLXFU-UHFFFAOYSA-N 1 2 365.412 3.461 20 30 FGEDLO C=CCn1cccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000486369662 502135720 /nfs/dbraw/zinc/13/57/20/502135720.db2.gz SDDDIFFOIVULDW-UHFFFAOYSA-N 1 2 350.422 3.223 20 30 FGEDLO CCC[C@H]1CN(c2cc(C)[nH+]c(N3CCO[C@@H](CCC)C3)c2C#N)CCO1 ZINC000596181332 506296639 /nfs/dbraw/zinc/29/66/39/506296639.db2.gz ZYHICUDCHVOUNW-ROUUACIJSA-N 1 2 372.513 3.272 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000461737986 502185400 /nfs/dbraw/zinc/18/54/00/502185400.db2.gz YAFKEFYPOACQFM-UHFFFAOYSA-N 1 2 374.847 3.385 20 30 FGEDLO CC(C)(C#N)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479380177 502240979 /nfs/dbraw/zinc/24/09/79/502240979.db2.gz ISUVXYAIQQLRGQ-OAHLLOKOSA-N 1 2 366.868 3.465 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000461958651 502252906 /nfs/dbraw/zinc/25/29/06/502252906.db2.gz NRPKYGGZLMKXOL-QZTJIDSGSA-N 1 2 355.486 3.022 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000461960827 502253948 /nfs/dbraw/zinc/25/39/48/502253948.db2.gz VCNOXNQOFZDFPS-FVQBIDKESA-N 1 2 357.845 3.154 20 30 FGEDLO CC#CCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000483419053 502384523 /nfs/dbraw/zinc/38/45/23/502384523.db2.gz PDELKNWSSDEPDS-UHFFFAOYSA-N 1 2 368.308 3.277 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000469401390 502401097 /nfs/dbraw/zinc/40/10/97/502401097.db2.gz GVFPDBIGLRKEBN-SPYBWZPUSA-N 1 2 364.436 3.027 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000469401390 502401101 /nfs/dbraw/zinc/40/11/01/502401101.db2.gz GVFPDBIGLRKEBN-SPYBWZPUSA-N 1 2 364.436 3.027 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000487261607 502404037 /nfs/dbraw/zinc/40/40/37/502404037.db2.gz BMIBCTJAJULBON-LBPRGKRZSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000487261607 502404040 /nfs/dbraw/zinc/40/40/40/502404040.db2.gz BMIBCTJAJULBON-LBPRGKRZSA-N 1 2 361.417 3.292 20 30 FGEDLO CC(C)c1nc(N2CCC(Nc3ccccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000599101420 506323848 /nfs/dbraw/zinc/32/38/48/506323848.db2.gz DXSUXIAUFUTNCB-UHFFFAOYSA-N 1 2 365.485 3.014 20 30 FGEDLO CC(C)c1nc(N(C)C)nc(N2CCC(Nc3ccccc3C#N)CC2)[nH+]1 ZINC000599101420 506323855 /nfs/dbraw/zinc/32/38/55/506323855.db2.gz DXSUXIAUFUTNCB-UHFFFAOYSA-N 1 2 365.485 3.014 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484562852 502670979 /nfs/dbraw/zinc/67/09/79/502670979.db2.gz WZCPWRRZEHRFBP-UHFFFAOYSA-N 1 2 372.694 3.296 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484562852 502670985 /nfs/dbraw/zinc/67/09/85/502670985.db2.gz WZCPWRRZEHRFBP-UHFFFAOYSA-N 1 2 372.694 3.296 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463045051 502673587 /nfs/dbraw/zinc/67/35/87/502673587.db2.gz UIQHHJXRDLJTLF-HZPDHXFCSA-N 1 2 369.490 3.292 20 30 FGEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000466802828 502684550 /nfs/dbraw/zinc/68/45/50/502684550.db2.gz QCXXZCGJMZPZHM-NVXWUHKLSA-N 1 2 355.404 3.457 20 30 FGEDLO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000466802828 502684554 /nfs/dbraw/zinc/68/45/54/502684554.db2.gz QCXXZCGJMZPZHM-NVXWUHKLSA-N 1 2 355.404 3.457 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1c(F)c(F)cc(F)c1F ZINC000480883415 502698125 /nfs/dbraw/zinc/69/81/25/502698125.db2.gz KWXKLMUKJUPNKK-UHFFFAOYSA-N 1 2 369.240 3.274 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858051 506329993 /nfs/dbraw/zinc/32/99/93/506329993.db2.gz YCKWLORZEBQERP-KURKYZTESA-N 1 2 356.514 3.364 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857262 506330101 /nfs/dbraw/zinc/33/01/01/506330101.db2.gz QCCKMABNOVOBSQ-BBWFWOEESA-N 1 2 350.466 3.085 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857262 506330104 /nfs/dbraw/zinc/33/01/04/506330104.db2.gz QCCKMABNOVOBSQ-BBWFWOEESA-N 1 2 350.466 3.085 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000477462329 502780565 /nfs/dbraw/zinc/78/05/65/502780565.db2.gz RYKAJAPIMVHANZ-UHFFFAOYSA-N 1 2 373.460 3.492 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481238507 502793715 /nfs/dbraw/zinc/79/37/15/502793715.db2.gz NPSAEESVTSHOAW-OAQYLSRUSA-N 1 2 372.428 3.016 20 30 FGEDLO COc1ccc([C@H](NC(=O)c2cccc(C#N)c2C)c2[nH+]ccn2C)cc1 ZINC000509109532 502823461 /nfs/dbraw/zinc/82/34/61/502823461.db2.gz QGFYMSBHZSFLAU-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000505187363 502866285 /nfs/dbraw/zinc/86/62/85/502866285.db2.gz LAQRPXYQLVZSQA-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000496670768 502897766 /nfs/dbraw/zinc/89/77/66/502897766.db2.gz OJBSAJHERAIJBX-HNNXBMFYSA-N 1 2 366.868 3.292 20 30 FGEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000496670768 502897771 /nfs/dbraw/zinc/89/77/71/502897771.db2.gz OJBSAJHERAIJBX-HNNXBMFYSA-N 1 2 366.868 3.292 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+](CC)CC(=O)OC)cc1OC ZINC000513391619 502923377 /nfs/dbraw/zinc/92/33/77/502923377.db2.gz DRPNIPWVQOGFPI-UHFFFAOYSA-N 1 2 372.259 3.017 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+](CC)CC(=O)OC)cc1OC ZINC000513391619 502923378 /nfs/dbraw/zinc/92/33/78/502923378.db2.gz DRPNIPWVQOGFPI-UHFFFAOYSA-N 1 2 372.259 3.017 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)cc1 ZINC000505525059 502926772 /nfs/dbraw/zinc/92/67/72/502926772.db2.gz ZBIKRITYMUGUID-LJQANCHMSA-N 1 2 352.434 3.047 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513661893 502994246 /nfs/dbraw/zinc/99/42/46/502994246.db2.gz WTPXGUICYJKAHB-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513661893 502994252 /nfs/dbraw/zinc/99/42/52/502994252.db2.gz WTPXGUICYJKAHB-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO Cc1cccc(C)c1OCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513676440 502997971 /nfs/dbraw/zinc/99/79/71/502997971.db2.gz FIPNGMGVDOCGRZ-HTAPYJJXSA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1cccc(C)c1OCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513676440 502997975 /nfs/dbraw/zinc/99/79/75/502997975.db2.gz FIPNGMGVDOCGRZ-HTAPYJJXSA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513676442 502998214 /nfs/dbraw/zinc/99/82/14/502998214.db2.gz FIPNGMGVDOCGRZ-VGOFRKELSA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513676442 502998216 /nfs/dbraw/zinc/99/82/16/502998216.db2.gz FIPNGMGVDOCGRZ-VGOFRKELSA-N 1 2 361.445 3.028 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)on1 ZINC000602907559 506346152 /nfs/dbraw/zinc/34/61/52/506346152.db2.gz NWYQOPUPBHHJBV-UHFFFAOYSA-N 1 2 367.453 3.057 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000489650514 503005282 /nfs/dbraw/zinc/00/52/82/503005282.db2.gz RXHZDYGNAMCTMX-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000497686880 503014852 /nfs/dbraw/zinc/01/48/52/503014852.db2.gz LKMWLTWETIGOKX-UHFFFAOYSA-N 1 2 350.422 3.406 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000490045094 503098625 /nfs/dbraw/zinc/09/86/25/503098625.db2.gz GFCUXGSIODANCL-SFHVURJKSA-N 1 2 357.841 3.470 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000490045094 503098630 /nfs/dbraw/zinc/09/86/30/503098630.db2.gz GFCUXGSIODANCL-SFHVURJKSA-N 1 2 357.841 3.470 20 30 FGEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490047993 503098965 /nfs/dbraw/zinc/09/89/65/503098965.db2.gz SHKULTZZQMKNOJ-AEFFLSMTSA-N 1 2 372.513 3.042 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490047993 503098973 /nfs/dbraw/zinc/09/89/73/503098973.db2.gz SHKULTZZQMKNOJ-AEFFLSMTSA-N 1 2 372.513 3.042 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000510364930 503099976 /nfs/dbraw/zinc/09/99/76/503099976.db2.gz YKMIZSXLVOTOCQ-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000510444738 503116181 /nfs/dbraw/zinc/11/61/81/503116181.db2.gz OPQJUGPVGOQKAK-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000510444738 503116183 /nfs/dbraw/zinc/11/61/83/503116183.db2.gz OPQJUGPVGOQKAK-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000498148712 503118040 /nfs/dbraw/zinc/11/80/40/503118040.db2.gz ZTRKUDGSDYOIDI-UHFFFAOYSA-N 1 2 356.470 3.461 20 30 FGEDLO CCCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OC ZINC000514646581 503156201 /nfs/dbraw/zinc/15/62/01/503156201.db2.gz HWNNSYNKVIHARJ-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000514777353 503189977 /nfs/dbraw/zinc/18/99/77/503189977.db2.gz GFJXHRWJJFRYJZ-UHFFFAOYSA-N 1 2 363.436 3.073 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050297 506358957 /nfs/dbraw/zinc/35/89/57/506358957.db2.gz FVHHDZVCHLUCMM-NRFANRHFSA-N 1 2 351.450 3.359 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050297 506358963 /nfs/dbraw/zinc/35/89/63/506358963.db2.gz FVHHDZVCHLUCMM-NRFANRHFSA-N 1 2 351.450 3.359 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593053239 506362540 /nfs/dbraw/zinc/36/25/40/506362540.db2.gz YWAYNTXFTOPVJT-MRXNPFEDSA-N 1 2 351.450 3.313 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593053239 506362551 /nfs/dbraw/zinc/36/25/51/506362551.db2.gz YWAYNTXFTOPVJT-MRXNPFEDSA-N 1 2 351.450 3.313 20 30 FGEDLO Cc1[nH+]c(N2CCC[C@H](CC#N)C2)nc(N2CCC[C@@H](CC#N)C2)c1F ZINC000596328646 506359733 /nfs/dbraw/zinc/35/97/33/506359733.db2.gz IFXIUCPZTPYHNL-JKSUJKDBSA-N 1 2 356.449 3.184 20 30 FGEDLO CNC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000515006960 503248253 /nfs/dbraw/zinc/24/82/53/503248253.db2.gz DFPDVRSLSCAQFW-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000511176969 503274719 /nfs/dbraw/zinc/27/47/19/503274719.db2.gz ZQZVWVXABUSVLS-IBGZPJMESA-N 1 2 350.426 3.201 20 30 FGEDLO Cc1c(Cl)cccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491293269 503293876 /nfs/dbraw/zinc/29/38/76/503293876.db2.gz DAQMNYQNIKOAPO-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000502908076 503305803 /nfs/dbraw/zinc/30/58/03/503305803.db2.gz YFSFOVAFGGHQMK-QGZVFWFLSA-N 1 2 355.438 3.231 20 30 FGEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000502908076 503305806 /nfs/dbraw/zinc/30/58/06/503305806.db2.gz YFSFOVAFGGHQMK-QGZVFWFLSA-N 1 2 355.438 3.231 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954026 506365914 /nfs/dbraw/zinc/36/59/14/506365914.db2.gz GFTZUOGTMQUVCR-SFHVURJKSA-N 1 2 355.463 3.184 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000499432793 503402793 /nfs/dbraw/zinc/40/27/93/503402793.db2.gz AJIBHXSEKCDQCV-UHFFFAOYSA-N 1 2 370.456 3.367 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000499432793 503402798 /nfs/dbraw/zinc/40/27/98/503402798.db2.gz AJIBHXSEKCDQCV-UHFFFAOYSA-N 1 2 370.456 3.367 20 30 FGEDLO COc1c2ccccc2[nH]c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000503694896 503461080 /nfs/dbraw/zinc/46/10/80/503461080.db2.gz HNVYLWBHRZXOFT-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000512150564 503470676 /nfs/dbraw/zinc/47/06/76/503470676.db2.gz WCVDLTIQEDUMTJ-QGZVFWFLSA-N 1 2 356.466 3.197 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000512150564 503470680 /nfs/dbraw/zinc/47/06/80/503470680.db2.gz WCVDLTIQEDUMTJ-QGZVFWFLSA-N 1 2 356.466 3.197 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000512211006 503487811 /nfs/dbraw/zinc/48/78/11/503487811.db2.gz HYBYEORIXRYBOG-FQEVSTJZSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000512211006 503487815 /nfs/dbraw/zinc/48/78/15/503487815.db2.gz HYBYEORIXRYBOG-FQEVSTJZSA-N 1 2 372.440 3.485 20 30 FGEDLO Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000499928059 503513170 /nfs/dbraw/zinc/51/31/70/503513170.db2.gz ULHHZDGDTKPMPU-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000504083846 503519725 /nfs/dbraw/zinc/51/97/25/503519725.db2.gz FLYRFUPZTMLAOP-UHFFFAOYSA-N 1 2 362.433 3.016 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1ccc(CO)o1 ZINC000512415060 503542905 /nfs/dbraw/zinc/54/29/05/503542905.db2.gz JCSAKZDKOFKIJL-MRXNPFEDSA-N 1 2 372.465 3.036 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1ccc(CO)o1 ZINC000512415060 503542909 /nfs/dbraw/zinc/54/29/09/503542909.db2.gz JCSAKZDKOFKIJL-MRXNPFEDSA-N 1 2 372.465 3.036 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(C(C)C)c1 ZINC000512505703 503572370 /nfs/dbraw/zinc/57/23/70/503572370.db2.gz AQIDDPLXHWCRPP-UHFFFAOYSA-N 1 2 370.453 3.210 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(C(C)C)c1 ZINC000512505703 503572376 /nfs/dbraw/zinc/57/23/76/503572376.db2.gz AQIDDPLXHWCRPP-UHFFFAOYSA-N 1 2 370.453 3.210 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512516702 503574929 /nfs/dbraw/zinc/57/49/29/503574929.db2.gz KKZGLMKBHHZXPV-UHFFFAOYSA-N 1 2 372.488 3.340 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512516702 503574931 /nfs/dbraw/zinc/57/49/31/503574931.db2.gz KKZGLMKBHHZXPV-UHFFFAOYSA-N 1 2 372.488 3.340 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cccc(F)c4)CC3)o2)c1 ZINC000603016014 506381057 /nfs/dbraw/zinc/38/10/57/506381057.db2.gz QCOXZWMVEQLOAY-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000494703458 503596732 /nfs/dbraw/zinc/59/67/32/503596732.db2.gz OWWIVQRJUSWOEV-KRWDZBQOSA-N 1 2 354.450 3.245 20 30 FGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000494703458 503596734 /nfs/dbraw/zinc/59/67/34/503596734.db2.gz OWWIVQRJUSWOEV-KRWDZBQOSA-N 1 2 354.450 3.245 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000512822486 503640057 /nfs/dbraw/zinc/64/00/57/503640057.db2.gz RBOUBZWVVDIPGI-SFHVURJKSA-N 1 2 369.490 3.074 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000512828354 503641446 /nfs/dbraw/zinc/64/14/46/503641446.db2.gz PGBSCGRNAQVARE-KDOFPFPSSA-N 1 2 369.490 3.120 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000512828354 503641448 /nfs/dbraw/zinc/64/14/48/503641448.db2.gz PGBSCGRNAQVARE-KDOFPFPSSA-N 1 2 369.490 3.120 20 30 FGEDLO COCc1ccc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1C#N ZINC000529815377 503714579 /nfs/dbraw/zinc/71/45/79/503714579.db2.gz YBQXRTYGVBTOHX-AWEZNQCLSA-N 1 2 366.343 3.113 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c(OC(F)F)c1 ZINC000540420254 503765832 /nfs/dbraw/zinc/76/58/32/503765832.db2.gz KAIJJBLKAUIIMK-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCC#N)c2ccc(F)cc2F)c1 ZINC000543427634 503765844 /nfs/dbraw/zinc/76/58/44/503765844.db2.gz QOEPCSBTRUWOAQ-GOSISDBHSA-N 1 2 364.417 3.351 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000533251029 503777601 /nfs/dbraw/zinc/77/76/01/503777601.db2.gz RVONVYQYLMMJAP-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000533251029 503777604 /nfs/dbraw/zinc/77/76/04/503777604.db2.gz RVONVYQYLMMJAP-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000543510868 503798715 /nfs/dbraw/zinc/79/87/15/503798715.db2.gz PKWYMJIFSFRGQH-NWDGAFQWSA-N 1 2 359.455 3.062 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C#N)CCc2ccccc2)c1C ZINC000540560843 503817393 /nfs/dbraw/zinc/81/73/93/503817393.db2.gz BYAHHQFZIAMBCU-GOSISDBHSA-N 1 2 351.450 3.438 20 30 FGEDLO Cn1cc(-c2ncc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510485 503818231 /nfs/dbraw/zinc/81/82/31/503818231.db2.gz ZMAJSFIJTOJBOV-PMACEKPBSA-N 1 2 358.449 3.149 20 30 FGEDLO Cn1cc(-c2ncc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510485 503818236 /nfs/dbraw/zinc/81/82/36/503818236.db2.gz ZMAJSFIJTOJBOV-PMACEKPBSA-N 1 2 358.449 3.149 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000517734643 503821301 /nfs/dbraw/zinc/82/13/01/503821301.db2.gz VXDYQBHLFOQXCS-RYRKJORJSA-N 1 2 358.486 3.481 20 30 FGEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4cccc(C#N)n4)CC3)o2)cc1 ZINC000546917889 503925500 /nfs/dbraw/zinc/92/55/00/503925500.db2.gz AKJYHWTTXMCDAO-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)n1 ZINC000546965463 503939640 /nfs/dbraw/zinc/93/96/40/503939640.db2.gz JBGHVEFGYODGRN-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CCN1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375368 503941973 /nfs/dbraw/zinc/94/19/73/503941973.db2.gz OTXQCPPZPOLGMK-QGZVFWFLSA-N 1 2 364.497 3.173 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000537551295 503950955 /nfs/dbraw/zinc/95/09/55/503950955.db2.gz KJEVZDHUDKIELK-UHFFFAOYSA-N 1 2 362.458 3.498 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000544023346 503976098 /nfs/dbraw/zinc/97/60/98/503976098.db2.gz DEYZJEJQNLRWBR-UHFFFAOYSA-N 1 2 358.392 3.366 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000547329093 504064031 /nfs/dbraw/zinc/06/40/31/504064031.db2.gz FFDKMEQQRRWYLX-UHFFFAOYSA-N 1 2 372.490 3.280 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000537853621 504066517 /nfs/dbraw/zinc/06/65/17/504066517.db2.gz SKOHLAHTFXFKDI-UHFFFAOYSA-N 1 2 357.237 3.369 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000537853621 504066525 /nfs/dbraw/zinc/06/65/25/504066525.db2.gz SKOHLAHTFXFKDI-UHFFFAOYSA-N 1 2 357.237 3.369 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541310265 504083530 /nfs/dbraw/zinc/08/35/30/504083530.db2.gz PWEGYUCLJDOTOZ-JKSUJKDBSA-N 1 2 352.841 3.217 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541310265 504083536 /nfs/dbraw/zinc/08/35/36/504083536.db2.gz PWEGYUCLJDOTOZ-JKSUJKDBSA-N 1 2 352.841 3.217 20 30 FGEDLO Clc1ccc(C#CC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000538119671 504136871 /nfs/dbraw/zinc/13/68/71/504136871.db2.gz ORTZBZVDKPOUKH-UHFFFAOYSA-N 1 2 364.880 3.386 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000530957353 504141857 /nfs/dbraw/zinc/14/18/57/504141857.db2.gz HBFDSQKHGPRLSA-UHFFFAOYSA-N 1 2 353.344 3.276 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000538273223 504183516 /nfs/dbraw/zinc/18/35/16/504183516.db2.gz BMOAEKXZGWAAAA-MRXNPFEDSA-N 1 2 369.440 3.305 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547951674 504270929 /nfs/dbraw/zinc/27/09/29/504270929.db2.gz IMFBTZMZTPXSJU-QGZVFWFLSA-N 1 2 350.809 3.465 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541948289 504313309 /nfs/dbraw/zinc/31/33/09/504313309.db2.gz IROCQSJVVUWBAH-UHFFFAOYSA-N 1 2 363.483 3.106 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000538808191 504379543 /nfs/dbraw/zinc/37/95/43/504379543.db2.gz CXJAEHJYUUTKOP-ZDUSSCGKSA-N 1 2 367.840 3.459 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000538808191 504379548 /nfs/dbraw/zinc/37/95/48/504379548.db2.gz CXJAEHJYUUTKOP-ZDUSSCGKSA-N 1 2 367.840 3.459 20 30 FGEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000542212964 504409259 /nfs/dbraw/zinc/40/92/59/504409259.db2.gz SSAFDUULDBMULI-UHFFFAOYSA-N 1 2 362.477 3.122 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)N2CCC(Nc3cccc[nH+]3)CC2)c(C#N)c1C ZINC000535572083 504473507 /nfs/dbraw/zinc/47/35/07/504473507.db2.gz OYBWWJMZSDIJLH-CQSZACIVSA-N 1 2 367.453 3.067 20 30 FGEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)c(F)c1 ZINC000539324044 504530850 /nfs/dbraw/zinc/53/08/50/504530850.db2.gz GMHFXVACBSNUER-GOSISDBHSA-N 1 2 360.360 3.100 20 30 FGEDLO C=CCC[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000539357528 504539728 /nfs/dbraw/zinc/53/97/28/504539728.db2.gz LPBQRTUCYVWRAT-INIZCTEOSA-N 1 2 355.463 3.306 20 30 FGEDLO C=C(C)COc1cc(C[NH2+]Cc2n[nH]cc2Br)ccc1OC ZINC000539516180 504596237 /nfs/dbraw/zinc/59/62/37/504596237.db2.gz YGUYIEBKOIYKBI-UHFFFAOYSA-N 1 2 366.259 3.426 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566393 504610254 /nfs/dbraw/zinc/61/02/54/504610254.db2.gz UPFZIBSOULZKEZ-BBRMVZONSA-N 1 2 353.388 3.288 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566393 504610258 /nfs/dbraw/zinc/61/02/58/504610258.db2.gz UPFZIBSOULZKEZ-BBRMVZONSA-N 1 2 353.388 3.288 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4c[nH]c[nH+]4)cc3)n2)c1 ZINC000545965286 504658476 /nfs/dbraw/zinc/65/84/76/504658476.db2.gz LCPSWHRLMKKDKS-UHFFFAOYSA-N 1 2 354.373 3.386 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549081298 504677992 /nfs/dbraw/zinc/67/79/92/504677992.db2.gz OSOCAKBQMTVGEF-OLZOCXBDSA-N 1 2 369.437 3.190 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549081298 504677994 /nfs/dbraw/zinc/67/79/94/504677994.db2.gz OSOCAKBQMTVGEF-OLZOCXBDSA-N 1 2 369.437 3.190 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3ccccc3)c2C1 ZINC000546062378 504695618 /nfs/dbraw/zinc/69/56/18/504695618.db2.gz RFRGNCGOKTYYCE-UHFFFAOYSA-N 1 2 369.468 3.394 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3ccccc3)c2C1 ZINC000546062378 504695626 /nfs/dbraw/zinc/69/56/26/504695626.db2.gz RFRGNCGOKTYYCE-UHFFFAOYSA-N 1 2 369.468 3.394 20 30 FGEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2ccc(C#N)cc2)CCCC1 ZINC000532705741 504741136 /nfs/dbraw/zinc/74/11/36/504741136.db2.gz KJGUNVYNXJNWDY-UHFFFAOYSA-N 1 2 357.454 3.131 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC000559290149 504821515 /nfs/dbraw/zinc/82/15/15/504821515.db2.gz KDSRUVVOCPZPRI-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)nc1 ZINC000559290149 504821519 /nfs/dbraw/zinc/82/15/19/504821519.db2.gz KDSRUVVOCPZPRI-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC000565225797 504830439 /nfs/dbraw/zinc/83/04/39/504830439.db2.gz HBZQEFOJYQLDEX-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO COc1cc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)ccc1F ZINC000549472090 504831948 /nfs/dbraw/zinc/83/19/48/504831948.db2.gz QKSCRCKJOGBUEJ-UHFFFAOYSA-N 1 2 364.424 3.281 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549840895 504914003 /nfs/dbraw/zinc/91/40/03/504914003.db2.gz AASCUPJJYJEVBJ-CJNGLKHVSA-N 1 2 350.425 3.231 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549840895 504914005 /nfs/dbraw/zinc/91/40/05/504914005.db2.gz AASCUPJJYJEVBJ-CJNGLKHVSA-N 1 2 350.425 3.231 20 30 FGEDLO O=C1N=NC([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)O1 ZINC000559762357 504924084 /nfs/dbraw/zinc/92/40/84/504924084.db2.gz KKXPNIPETCNLCW-ZDUSSCGKSA-N 1 2 351.328 3.025 20 30 FGEDLO O=C1N=NC([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)O1 ZINC000559762357 504924089 /nfs/dbraw/zinc/92/40/89/504924089.db2.gz KKXPNIPETCNLCW-ZDUSSCGKSA-N 1 2 351.328 3.025 20 30 FGEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1Cl ZINC000553519793 504938344 /nfs/dbraw/zinc/93/83/44/504938344.db2.gz JNMAMHNYMXYIKV-UHFFFAOYSA-N 1 2 353.788 3.494 20 30 FGEDLO Fc1cncc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000560048912 504978514 /nfs/dbraw/zinc/97/85/14/504978514.db2.gz OTWVJNFZWMVXKD-UHFFFAOYSA-N 1 2 363.358 3.413 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000563060271 505036896 /nfs/dbraw/zinc/03/68/96/505036896.db2.gz XTKVSTDFPJRBHL-GOSISDBHSA-N 1 2 372.494 3.026 20 30 FGEDLO C=CCC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000563241211 505085791 /nfs/dbraw/zinc/08/57/91/505085791.db2.gz UZDXNNXGTBBTAS-ZWKOTPCHSA-N 1 2 366.465 3.287 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)C1CCOCC1 ZINC000566154077 505099397 /nfs/dbraw/zinc/09/93/97/505099397.db2.gz VYPQKZBZGQZASB-GOSISDBHSA-N 1 2 373.501 3.096 20 30 FGEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)n1C ZINC000560501667 505105993 /nfs/dbraw/zinc/10/59/93/505105993.db2.gz QPUHEJBFPPJVNV-UHFFFAOYSA-N 1 2 369.440 3.379 20 30 FGEDLO Cc1ccc(Br)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000563596741 505187559 /nfs/dbraw/zinc/18/75/59/505187559.db2.gz DPBWYRMFDFHZMD-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CC1=C(c2ccco2)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000554836942 505276073 /nfs/dbraw/zinc/27/60/73/505276073.db2.gz CKLWBHKVPSHFJY-MRXNPFEDSA-N 1 2 353.447 3.497 20 30 FGEDLO CC1=C(c2ccco2)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000554836942 505276077 /nfs/dbraw/zinc/27/60/77/505276077.db2.gz CKLWBHKVPSHFJY-MRXNPFEDSA-N 1 2 353.447 3.497 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000566891996 505302344 /nfs/dbraw/zinc/30/23/44/505302344.db2.gz YJMSPLJFUBOJJV-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000566891996 505302346 /nfs/dbraw/zinc/30/23/46/505302346.db2.gz YJMSPLJFUBOJJV-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000555318629 505406085 /nfs/dbraw/zinc/40/60/85/505406085.db2.gz RVNINZAXARVHOK-UHFFFAOYSA-N 1 2 366.421 3.455 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000555422904 505429339 /nfs/dbraw/zinc/42/93/39/505429339.db2.gz NGNOCKNCBNLRDK-FQEVSTJZSA-N 1 2 371.481 3.074 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000555422904 505429343 /nfs/dbraw/zinc/42/93/43/505429343.db2.gz NGNOCKNCBNLRDK-FQEVSTJZSA-N 1 2 371.481 3.074 20 30 FGEDLO Cc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000567356785 505439974 /nfs/dbraw/zinc/43/99/74/505439974.db2.gz WHTKVSSHHWXBFD-JOCHJYFZSA-N 1 2 362.477 3.201 20 30 FGEDLO Cc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000567356785 505439978 /nfs/dbraw/zinc/43/99/78/505439978.db2.gz WHTKVSSHHWXBFD-JOCHJYFZSA-N 1 2 362.477 3.201 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000596428855 506400464 /nfs/dbraw/zinc/40/04/64/506400464.db2.gz UNWIQLSKTTTYOR-SJLPKXTDSA-N 1 2 351.454 3.039 20 30 FGEDLO Cn1cc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cs2)cn1 ZINC000588979013 506402995 /nfs/dbraw/zinc/40/29/95/506402995.db2.gz OFAGAMCWPIWEPN-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO Cn1cc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)cs2)cn1 ZINC000588979013 506403001 /nfs/dbraw/zinc/40/30/01/506403001.db2.gz OFAGAMCWPIWEPN-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593116402 506403430 /nfs/dbraw/zinc/40/34/30/506403430.db2.gz LXUACEWKYBYBNQ-HNNXBMFYSA-N 1 2 372.465 3.133 20 30 FGEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593116402 506403436 /nfs/dbraw/zinc/40/34/36/506403436.db2.gz LXUACEWKYBYBNQ-HNNXBMFYSA-N 1 2 372.465 3.133 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1C#N ZINC000599316565 506409280 /nfs/dbraw/zinc/40/92/80/506409280.db2.gz CSNPHLUQGQEAPS-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCOCC1 ZINC000599328239 506415169 /nfs/dbraw/zinc/41/51/69/506415169.db2.gz YJUSPJTUQKDCKL-HNNXBMFYSA-N 1 2 373.884 3.251 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCOCC1 ZINC000599328239 506415173 /nfs/dbraw/zinc/41/51/73/506415173.db2.gz YJUSPJTUQKDCKL-HNNXBMFYSA-N 1 2 373.884 3.251 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)NCC2(C#N)CCCC2)c1)[NH+]1CCOCC1 ZINC000593156578 506428469 /nfs/dbraw/zinc/42/84/69/506428469.db2.gz DGJMEFGVDHOJRW-INIZCTEOSA-N 1 2 356.470 3.285 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000612160808 506467012 /nfs/dbraw/zinc/46/70/12/506467012.db2.gz MDLYXKSHUHQPKZ-JOCHJYFZSA-N 1 2 362.477 3.409 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000612160808 506467020 /nfs/dbraw/zinc/46/70/20/506467020.db2.gz MDLYXKSHUHQPKZ-JOCHJYFZSA-N 1 2 362.477 3.409 20 30 FGEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)C[C@@H](C)O1 ZINC000589183369 506472753 /nfs/dbraw/zinc/47/27/53/506472753.db2.gz CZBXFGCGLJJQNV-HUUCEWRRSA-N 1 2 365.433 3.125 20 30 FGEDLO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ncc1Br ZINC000603284112 506477410 /nfs/dbraw/zinc/47/74/10/506477410.db2.gz QJNGRVBPYPMKPB-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2I)C1 ZINC000599526905 506486899 /nfs/dbraw/zinc/48/68/99/506486899.db2.gz WFCBLRCNRVSULO-GFCCVEGCSA-N 1 2 370.234 3.128 20 30 FGEDLO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2I)C1 ZINC000599526905 506486905 /nfs/dbraw/zinc/48/69/05/506486905.db2.gz WFCBLRCNRVSULO-GFCCVEGCSA-N 1 2 370.234 3.128 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000596659218 506515880 /nfs/dbraw/zinc/51/58/80/506515880.db2.gz VQFVBRULTGMREG-NRFANRHFSA-N 1 2 363.436 3.072 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000593303649 506525740 /nfs/dbraw/zinc/52/57/40/506525740.db2.gz ZECALUZMTWDIRA-MRXNPFEDSA-N 1 2 355.417 3.032 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635781 506542942 /nfs/dbraw/zinc/54/29/42/506542942.db2.gz VVRCDPHOTXEKQH-QGZVFWFLSA-N 1 2 353.388 3.118 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635781 506542952 /nfs/dbraw/zinc/54/29/52/506542952.db2.gz VVRCDPHOTXEKQH-QGZVFWFLSA-N 1 2 353.388 3.118 20 30 FGEDLO Cc1ccc(-c2nnc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000603580816 506564436 /nfs/dbraw/zinc/56/44/36/506564436.db2.gz RZJFNKSUXNTXAG-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO CSc1cccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675359 506572150 /nfs/dbraw/zinc/57/21/50/506572150.db2.gz IYFRAQWCVJJUPE-UHFFFAOYSA-N 1 2 351.475 3.471 20 30 FGEDLO CSc1cccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675359 506572158 /nfs/dbraw/zinc/57/21/58/506572158.db2.gz IYFRAQWCVJJUPE-UHFFFAOYSA-N 1 2 351.475 3.471 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000589514166 506576293 /nfs/dbraw/zinc/57/62/93/506576293.db2.gz GHKKHUZBZVAAHC-ZDUSSCGKSA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC2(CCOCC2)O1 ZINC000589514166 506576297 /nfs/dbraw/zinc/57/62/97/506576297.db2.gz GHKKHUZBZVAAHC-ZDUSSCGKSA-N 1 2 354.372 3.347 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)on1 ZINC000599685278 506581028 /nfs/dbraw/zinc/58/10/28/506581028.db2.gz CZCANXOOQDKWMS-UHFFFAOYSA-N 1 2 352.438 3.035 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)on1 ZINC000599685278 506581031 /nfs/dbraw/zinc/58/10/31/506581031.db2.gz CZCANXOOQDKWMS-UHFFFAOYSA-N 1 2 352.438 3.035 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2)ccn1 ZINC000589542080 506581980 /nfs/dbraw/zinc/58/19/80/506581980.db2.gz WGDQKQMWSBBYIB-AWEZNQCLSA-N 1 2 359.389 3.143 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000603732467 506605827 /nfs/dbraw/zinc/60/58/27/506605827.db2.gz MUCWXOFAAMSQAS-UHFFFAOYSA-N 1 2 363.461 3.028 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c1 ZINC000593426782 506613755 /nfs/dbraw/zinc/61/37/55/506613755.db2.gz DBYWYUGYEAXLRI-QGZVFWFLSA-N 1 2 370.497 3.167 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909423 506655308 /nfs/dbraw/zinc/65/53/08/506655308.db2.gz VRAHYEAGJXLUHI-BATSVXPKSA-N 1 2 355.482 3.200 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2ccccc2C1 ZINC000603909423 506655312 /nfs/dbraw/zinc/65/53/12/506655312.db2.gz VRAHYEAGJXLUHI-BATSVXPKSA-N 1 2 355.482 3.200 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000603935532 506663273 /nfs/dbraw/zinc/66/32/73/506663273.db2.gz BUJYCGCHDGGDQT-UHFFFAOYSA-N 1 2 369.509 3.442 20 30 FGEDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000596985855 506713644 /nfs/dbraw/zinc/71/36/44/506713644.db2.gz LQLASWUXUWMNOE-UHFFFAOYSA-N 1 2 353.445 3.021 20 30 FGEDLO COc1cc(C[NH2+]CC2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593653439 506715736 /nfs/dbraw/zinc/71/57/36/506715736.db2.gz KZLYGLZVPPEAAB-UHFFFAOYSA-N 1 2 369.368 3.421 20 30 FGEDLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583325807 506718220 /nfs/dbraw/zinc/71/82/20/506718220.db2.gz ZGUAYUYUKJOUTC-PBHICJAKSA-N 1 2 355.404 3.234 20 30 FGEDLO N#CC1(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCC1 ZINC000593671578 506722418 /nfs/dbraw/zinc/72/24/18/506722418.db2.gz CQPNPQPXTMQYFD-UHFFFAOYSA-N 1 2 364.405 3.013 20 30 FGEDLO Cc1ccn2cc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)[nH+]c2c1 ZINC000609083065 506771328 /nfs/dbraw/zinc/77/13/28/506771328.db2.gz OMFMEOABQFKJJC-UHFFFAOYSA-N 1 2 371.347 3.438 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000597117569 506784881 /nfs/dbraw/zinc/78/48/81/506784881.db2.gz VZGSDIJHYMKSMV-FQEVSTJZSA-N 1 2 369.900 3.329 20 30 FGEDLO Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000597130659 506793074 /nfs/dbraw/zinc/79/30/74/506793074.db2.gz VDDKOAQIEASNJH-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1c(Br)cncc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000597130659 506793080 /nfs/dbraw/zinc/79/30/80/506793080.db2.gz VDDKOAQIEASNJH-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc4ccncc4s3)CC2)c1C#N ZINC000597132272 506793914 /nfs/dbraw/zinc/79/39/14/506793914.db2.gz FPORSDACAOWHLR-UHFFFAOYSA-N 1 2 355.492 3.255 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609239404 506823743 /nfs/dbraw/zinc/82/37/43/506823743.db2.gz KPOOGCHREINSFQ-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)CCCn3cc[nH+]c3)s2)cc1 ZINC000604527715 506862012 /nfs/dbraw/zinc/86/20/12/506862012.db2.gz SHGDYXDMBVJZBT-UHFFFAOYSA-N 1 2 351.435 3.221 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3Cc4cc(F)c(F)cc4C3)C2=O)cc1 ZINC000594030200 506894250 /nfs/dbraw/zinc/89/42/50/506894250.db2.gz AJESAIDVDPCVOO-LJQANCHMSA-N 1 2 353.372 3.348 20 30 FGEDLO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486189 506896228 /nfs/dbraw/zinc/89/62/28/506896228.db2.gz FNTXKKPOACWFIV-HXUWFJFHSA-N 1 2 364.578 3.073 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594052135 506908557 /nfs/dbraw/zinc/90/85/57/506908557.db2.gz QDNWYINSYVXIDK-UHFFFAOYSA-N 1 2 360.454 3.142 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594052135 506908560 /nfs/dbraw/zinc/90/85/60/506908560.db2.gz QDNWYINSYVXIDK-UHFFFAOYSA-N 1 2 360.454 3.142 20 30 FGEDLO Cc1ccc([C@H](CNc2cc(C#N)c3ccccc3n2)[NH+]2CCOCC2)cc1 ZINC000609894804 507041409 /nfs/dbraw/zinc/04/14/09/507041409.db2.gz YIJLVZRASNFQOI-QFIPXVFZSA-N 1 2 372.472 3.322 20 30 FGEDLO Cc1ccccc1COc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000583929968 507055515 /nfs/dbraw/zinc/05/55/15/507055515.db2.gz LPHVOJCZFFEIPL-FQEVSTJZSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1ccccc1COc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000583929968 507055517 /nfs/dbraw/zinc/05/55/17/507055517.db2.gz LPHVOJCZFFEIPL-FQEVSTJZSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c1C#N ZINC000590967958 507066004 /nfs/dbraw/zinc/06/60/04/507066004.db2.gz QUZHNQSUQGYSME-UHFFFAOYSA-N 1 2 362.481 3.444 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1C#N ZINC000590967958 507066011 /nfs/dbraw/zinc/06/60/11/507066011.db2.gz QUZHNQSUQGYSME-UHFFFAOYSA-N 1 2 362.481 3.444 20 30 FGEDLO N#CC1(C[C@H](O)CNc2cccc(Oc3cc[nH+]cc3)c2)CCOCC1 ZINC000600740962 507093186 /nfs/dbraw/zinc/09/31/86/507093186.db2.gz ALXYRBKLARMBMI-KRWDZBQOSA-N 1 2 353.422 3.357 20 30 FGEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H](C)CO1 ZINC000597998766 507210855 /nfs/dbraw/zinc/21/08/55/507210855.db2.gz QTPPGAFRGHSSPC-IRXDYDNUSA-N 1 2 363.461 3.064 20 30 FGEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)[C@@H](C)CO1 ZINC000597998766 507210862 /nfs/dbraw/zinc/21/08/62/507210862.db2.gz QTPPGAFRGHSSPC-IRXDYDNUSA-N 1 2 363.461 3.064 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000610391070 507224322 /nfs/dbraw/zinc/22/43/22/507224322.db2.gz OEEANXVKKQSBTA-MRXNPFEDSA-N 1 2 355.404 3.293 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000605902711 507301698 /nfs/dbraw/zinc/30/16/98/507301698.db2.gz QMEMCNYWKASUGA-QUCCMNQESA-N 1 2 371.477 3.384 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000605902711 507301702 /nfs/dbraw/zinc/30/17/02/507301702.db2.gz QMEMCNYWKASUGA-QUCCMNQESA-N 1 2 371.477 3.384 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC(CCC#N)CC1 ZINC000591895862 507400320 /nfs/dbraw/zinc/40/03/20/507400320.db2.gz AWBWNPFECWPRIY-UHFFFAOYSA-N 1 2 353.470 3.460 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610936663 507448620 /nfs/dbraw/zinc/44/86/20/507448620.db2.gz SQHYMFKUWUIHST-KRWDZBQOSA-N 1 2 353.426 3.411 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000584727557 507474111 /nfs/dbraw/zinc/47/41/11/507474111.db2.gz KHHVYYYRGOUNCK-LBPRGKRZSA-N 1 2 361.467 3.205 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)n1 ZINC000595435721 507496423 /nfs/dbraw/zinc/49/64/23/507496423.db2.gz UJTNMOUPFSHEST-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H](O)CC(C)(C)C#N ZINC000598593474 507510529 /nfs/dbraw/zinc/51/05/29/507510529.db2.gz TZEDFDPLTHUQEJ-MRXNPFEDSA-N 1 2 360.458 3.199 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151045 507510708 /nfs/dbraw/zinc/51/07/08/507510708.db2.gz JOQQXHZXBAEILV-WIYYLYMNSA-N 1 2 360.417 3.176 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151045 507510711 /nfs/dbraw/zinc/51/07/11/507510711.db2.gz JOQQXHZXBAEILV-WIYYLYMNSA-N 1 2 360.417 3.176 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149214 507510923 /nfs/dbraw/zinc/51/09/23/507510923.db2.gz KTNLSUSLRPBEOE-HRAATJIYSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149214 507510930 /nfs/dbraw/zinc/51/09/30/507510930.db2.gz KTNLSUSLRPBEOE-HRAATJIYSA-N 1 2 365.433 3.156 20 30 FGEDLO N#Cc1cc(Cl)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000611093108 507514638 /nfs/dbraw/zinc/51/46/38/507514638.db2.gz DPXNQLRDWHENGL-UHFFFAOYSA-N 1 2 361.232 3.222 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598627988 507522512 /nfs/dbraw/zinc/52/25/12/507522512.db2.gz JTGZWTKXJAYHBI-SJLPKXTDSA-N 1 2 358.482 3.228 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598627988 507522519 /nfs/dbraw/zinc/52/25/19/507522519.db2.gz JTGZWTKXJAYHBI-SJLPKXTDSA-N 1 2 358.482 3.228 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000598649554 507532654 /nfs/dbraw/zinc/53/26/54/507532654.db2.gz PALFEJSZLKKYEH-OAHLLOKOSA-N 1 2 352.438 3.038 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000598649554 507532660 /nfs/dbraw/zinc/53/26/60/507532660.db2.gz PALFEJSZLKKYEH-OAHLLOKOSA-N 1 2 352.438 3.038 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)cc1 ZINC000598649166 507533027 /nfs/dbraw/zinc/53/30/27/507533027.db2.gz IZOVFVAXOVZRBE-INIZCTEOSA-N 1 2 356.438 3.136 20 30 FGEDLO C=CCCCCCN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000606916946 507555610 /nfs/dbraw/zinc/55/56/10/507555610.db2.gz BEVVPUUPBJDTQW-FQEVSTJZSA-N 1 2 359.514 3.448 20 30 FGEDLO CCC(CC)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000611254845 507584169 /nfs/dbraw/zinc/58/41/69/507584169.db2.gz JFKDULMQGCOVGO-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265036 507589115 /nfs/dbraw/zinc/58/91/15/507589115.db2.gz PAAAJPJHSRORHK-UHFFFAOYSA-N 1 2 365.389 3.426 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265036 507589127 /nfs/dbraw/zinc/58/91/27/507589127.db2.gz PAAAJPJHSRORHK-UHFFFAOYSA-N 1 2 365.389 3.426 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595611260 507589130 /nfs/dbraw/zinc/58/91/30/507589130.db2.gz IMIVUBSXAWTKMW-IAGOWNOFSA-N 1 2 370.497 3.121 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595611260 507589139 /nfs/dbraw/zinc/58/91/39/507589139.db2.gz IMIVUBSXAWTKMW-IAGOWNOFSA-N 1 2 370.497 3.121 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595614920 507590978 /nfs/dbraw/zinc/59/09/78/507590978.db2.gz JPRGHEUBCMAMJV-NSHDSACASA-N 1 2 354.223 3.152 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595614920 507590984 /nfs/dbraw/zinc/59/09/84/507590984.db2.gz JPRGHEUBCMAMJV-NSHDSACASA-N 1 2 354.223 3.152 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613194 507591651 /nfs/dbraw/zinc/59/16/51/507591651.db2.gz ARIJMOLNVXSASH-GOSISDBHSA-N 1 2 365.481 3.362 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613194 507591660 /nfs/dbraw/zinc/59/16/60/507591660.db2.gz ARIJMOLNVXSASH-GOSISDBHSA-N 1 2 365.481 3.362 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618210 507593396 /nfs/dbraw/zinc/59/33/96/507593396.db2.gz YYXCMWCDKMRDBW-RYUDHWBXSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618210 507593398 /nfs/dbraw/zinc/59/33/98/507593398.db2.gz YYXCMWCDKMRDBW-RYUDHWBXSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000611383501 507653761 /nfs/dbraw/zinc/65/37/61/507653761.db2.gz GLSLGFGKFGXIHZ-NWDGAFQWSA-N 1 2 364.243 3.314 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4ccccc4)o3)CCOCC2)c1 ZINC000595772580 507677648 /nfs/dbraw/zinc/67/76/48/507677648.db2.gz JCUVXVBOESVKTE-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595786225 507683233 /nfs/dbraw/zinc/68/32/33/507683233.db2.gz GVZKPSHGRXLBKW-KSSFIOAISA-N 1 2 359.470 3.376 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000592524596 507694325 /nfs/dbraw/zinc/69/43/25/507694325.db2.gz YRAPBLGRYUHROH-LJQANCHMSA-N 1 2 371.368 3.377 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000592524596 507694330 /nfs/dbraw/zinc/69/43/30/507694330.db2.gz YRAPBLGRYUHROH-LJQANCHMSA-N 1 2 371.368 3.377 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517389 507717757 /nfs/dbraw/zinc/71/77/57/507717757.db2.gz XGWUUAIRTJYFCH-UHFFFAOYSA-N 1 2 366.440 3.364 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517389 507717762 /nfs/dbraw/zinc/71/77/62/507717762.db2.gz XGWUUAIRTJYFCH-UHFFFAOYSA-N 1 2 366.440 3.364 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801071 606452232 /nfs/dbraw/zinc/45/22/32/606452232.db2.gz DMKDIROAGPEMDB-MJGOQNOKSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801071 606452234 /nfs/dbraw/zinc/45/22/34/606452234.db2.gz DMKDIROAGPEMDB-MJGOQNOKSA-N 1 2 362.412 3.278 20 30 FGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824384559 608680187 /nfs/dbraw/zinc/68/01/87/608680187.db2.gz DRSJNGBZFLMBFU-OAHLLOKOSA-N 1 2 362.437 3.180 20 30 FGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824384559 608680189 /nfs/dbraw/zinc/68/01/89/608680189.db2.gz DRSJNGBZFLMBFU-OAHLLOKOSA-N 1 2 362.437 3.180 20 30 FGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365509 695618424 /nfs/dbraw/zinc/61/84/24/695618424.db2.gz MDALQESAANLWLM-GFCCVEGCSA-N 1 2 361.829 3.321 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571167 700463204 /nfs/dbraw/zinc/46/32/04/700463204.db2.gz NEIAXMPTABZEIJ-JTQLQIEISA-N 1 2 367.783 3.477 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000106067253 700506300 /nfs/dbraw/zinc/50/63/00/700506300.db2.gz JRSBNDUIMUPWGL-LBPRGKRZSA-N 1 2 361.829 3.207 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1cnccn1 ZINC000162616783 705299750 /nfs/dbraw/zinc/29/97/50/705299750.db2.gz UCDVOIAYAPSIMV-GASCZTMLSA-N 1 2 356.499 3.137 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1cnccn1 ZINC000162616783 705299753 /nfs/dbraw/zinc/29/97/53/705299753.db2.gz UCDVOIAYAPSIMV-GASCZTMLSA-N 1 2 356.499 3.137 20 30 FGEDLO CC[C@@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000329300089 713828883 /nfs/dbraw/zinc/82/88/83/713828883.db2.gz MGRTTYRBQBVBIS-DZGCQCFKSA-N 1 2 352.504 3.031 20 30 FGEDLO CC[C@@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000329300089 713828888 /nfs/dbraw/zinc/82/88/88/713828888.db2.gz MGRTTYRBQBVBIS-DZGCQCFKSA-N 1 2 352.504 3.031 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@H](C)O1 ZINC000329403981 713829499 /nfs/dbraw/zinc/82/94/99/713829499.db2.gz ZWPOPMYPKAAMAW-IJEWVQPXSA-N 1 2 366.531 3.420 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@H](C)O1 ZINC000329403981 713829503 /nfs/dbraw/zinc/82/95/03/713829503.db2.gz ZWPOPMYPKAAMAW-IJEWVQPXSA-N 1 2 366.531 3.420 20 30 FGEDLO CCOc1c(Br)cc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790300028 723124546 /nfs/dbraw/zinc/12/45/46/723124546.db2.gz MZIDGCQBIHATKD-UHFFFAOYSA-N 1 2 353.220 3.036 20 30 FGEDLO CC#CC[NH2+]Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949662 717836935 /nfs/dbraw/zinc/83/69/35/717836935.db2.gz XKJMJBZMGZGWQR-UHFFFAOYSA-N 1 2 371.897 3.140 20 30 FGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420919 724514951 /nfs/dbraw/zinc/51/49/51/724514951.db2.gz PRWCFYKVCHXOCJ-FHLIZLRMSA-N 1 2 366.864 3.159 20 30 FGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420919 724514955 /nfs/dbraw/zinc/51/49/55/724514955.db2.gz PRWCFYKVCHXOCJ-FHLIZLRMSA-N 1 2 366.864 3.159 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccncc1 ZINC000782109579 724629811 /nfs/dbraw/zinc/62/98/11/724629811.db2.gz DQVNCGZSGGTSOP-UHFFFAOYSA-N 1 2 352.467 3.279 20 30 FGEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)cc1Cl ZINC000782240818 724642255 /nfs/dbraw/zinc/64/22/55/724642255.db2.gz MXEIJZBCIVNURM-UHFFFAOYSA-N 1 2 361.829 3.001 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678655216 721971683 /nfs/dbraw/zinc/97/16/83/721971683.db2.gz GRSHVZRKRMYDCX-SJLPKXTDSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678655216 721971684 /nfs/dbraw/zinc/97/16/84/721971684.db2.gz GRSHVZRKRMYDCX-SJLPKXTDSA-N 1 2 354.853 3.323 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1 ZINC000733306547 722495278 /nfs/dbraw/zinc/49/52/78/722495278.db2.gz KQQWOYYFAVZCLZ-GFCCVEGCSA-N 1 2 359.451 3.081 20 30 FGEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000740872534 722538859 /nfs/dbraw/zinc/53/88/59/722538859.db2.gz FVXXKGRNFXBJMH-UHFFFAOYSA-N 1 2 359.813 3.340 20 30 FGEDLO NC(=[NH+]OCc1ccc(I)cc1)c1ccc(F)cc1 ZINC000742352935 722556158 /nfs/dbraw/zinc/55/61/58/722556158.db2.gz GJFMSFVGQFVQAO-UHFFFAOYSA-N 1 2 370.165 3.267 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000744364609 722576248 /nfs/dbraw/zinc/57/62/48/722576248.db2.gz SABCUERFECTRGE-UHFFFAOYSA-N 1 2 371.333 3.394 20 30 FGEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000746456746 722603599 /nfs/dbraw/zinc/60/35/99/722603599.db2.gz HOZMZWNDVXMKSQ-HNNXBMFYSA-N 1 2 357.504 3.442 20 30 FGEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000746456746 722603601 /nfs/dbraw/zinc/60/36/01/722603601.db2.gz HOZMZWNDVXMKSQ-HNNXBMFYSA-N 1 2 357.504 3.442 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3sccc3Br)CC2)cn1 ZINC000750024786 722752233 /nfs/dbraw/zinc/75/22/33/722752233.db2.gz BXSDVAOMAVQMDB-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H](CC)CN1C(C)=O ZINC000752091874 722844911 /nfs/dbraw/zinc/84/49/11/722844911.db2.gz KILTVARJWMRAII-QZTJIDSGSA-N 1 2 363.889 3.464 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H](CC)CN1C(C)=O ZINC000752091874 722844913 /nfs/dbraw/zinc/84/49/13/722844913.db2.gz KILTVARJWMRAII-QZTJIDSGSA-N 1 2 363.889 3.464 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(SC(=O)N(C)C)cc2)cc1 ZINC000753118624 722886126 /nfs/dbraw/zinc/88/61/26/722886126.db2.gz SDFABGGEAHODKA-UHFFFAOYSA-N 1 2 359.451 3.306 20 30 FGEDLO C=C(Br)C[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000753136989 722886718 /nfs/dbraw/zinc/88/67/18/722886718.db2.gz GNSSZVGXUWMHJM-CYBMUJFWSA-N 1 2 374.348 3.267 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000753136989 722886719 /nfs/dbraw/zinc/88/67/19/722886719.db2.gz GNSSZVGXUWMHJM-CYBMUJFWSA-N 1 2 374.348 3.267 20 30 FGEDLO Cc1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753929487 722918684 /nfs/dbraw/zinc/91/86/84/722918684.db2.gz PWNLQDSZIAWSHX-HZPDHXFCSA-N 1 2 356.861 3.028 20 30 FGEDLO CCOc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753957002 722920056 /nfs/dbraw/zinc/92/00/56/722920056.db2.gz ZSJHUNUZIUQBJR-LBPRGKRZSA-N 1 2 357.483 3.093 20 30 FGEDLO CCOc1ccc(C2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753957002 722920057 /nfs/dbraw/zinc/92/00/57/722920057.db2.gz ZSJHUNUZIUQBJR-LBPRGKRZSA-N 1 2 357.483 3.093 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903727 722947723 /nfs/dbraw/zinc/94/77/23/722947723.db2.gz VFZFPLQKFMWTOJ-MSOLQXFVSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903727 722947724 /nfs/dbraw/zinc/94/77/24/722947724.db2.gz VFZFPLQKFMWTOJ-MSOLQXFVSA-N 1 2 357.816 3.031 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)s1 ZINC000794707075 723541953 /nfs/dbraw/zinc/54/19/53/723541953.db2.gz JEOXSTCELSBLRA-BQYQJAHWSA-N 1 2 357.435 3.057 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000794833871 723548096 /nfs/dbraw/zinc/54/80/96/723548096.db2.gz SAFBVASSJJNHTL-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000794833871 723548098 /nfs/dbraw/zinc/54/80/98/723548098.db2.gz SAFBVASSJJNHTL-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000794833872 723548179 /nfs/dbraw/zinc/54/81/79/723548179.db2.gz SAFBVASSJJNHTL-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nc1 ZINC000794833872 723548181 /nfs/dbraw/zinc/54/81/81/723548181.db2.gz SAFBVASSJJNHTL-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO C=C[C@](C)(CCOC)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796868410 723657775 /nfs/dbraw/zinc/65/77/75/723657775.db2.gz QEMUMXSWMYYDIN-GOSISDBHSA-N 1 2 352.381 3.395 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000771907952 723745025 /nfs/dbraw/zinc/74/50/25/723745025.db2.gz DWEYLWHSAFPASG-AWEZNQCLSA-N 1 2 363.280 3.474 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000771907952 723745027 /nfs/dbraw/zinc/74/50/27/723745027.db2.gz DWEYLWHSAFPASG-AWEZNQCLSA-N 1 2 363.280 3.474 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](OCCOC)C2)c1=S ZINC000800850638 724237507 /nfs/dbraw/zinc/23/75/07/724237507.db2.gz RKQOGUGFSUSZSX-MRXNPFEDSA-N 1 2 361.511 3.443 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](OCCOC)C2)c1=S ZINC000800850638 724237509 /nfs/dbraw/zinc/23/75/09/724237509.db2.gz RKQOGUGFSUSZSX-MRXNPFEDSA-N 1 2 361.511 3.443 20 30 FGEDLO C=C(Br)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788914106 725095949 /nfs/dbraw/zinc/09/59/49/725095949.db2.gz NGIYVPFLADKLKF-UHFFFAOYSA-N 1 2 367.291 3.017 20 30 FGEDLO C=C(Br)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805924113 725104171 /nfs/dbraw/zinc/10/41/71/725104171.db2.gz DKLVCMDUWRVFCL-UHFFFAOYSA-N 1 2 359.289 3.115 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527775 725312591 /nfs/dbraw/zinc/31/25/91/725312591.db2.gz MUSNBQZVLIWSDK-KBXCAEBGSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527775 725312592 /nfs/dbraw/zinc/31/25/92/725312592.db2.gz MUSNBQZVLIWSDK-KBXCAEBGSA-N 1 2 365.836 3.200 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000811466130 725367461 /nfs/dbraw/zinc/36/74/61/725367461.db2.gz NPCXKJSQPCDSPJ-GXTWGEPZSA-N 1 2 350.488 3.140 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000811466130 725367463 /nfs/dbraw/zinc/36/74/63/725367463.db2.gz NPCXKJSQPCDSPJ-GXTWGEPZSA-N 1 2 350.488 3.140 20 30 FGEDLO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000816546588 727173880 /nfs/dbraw/zinc/17/38/80/727173880.db2.gz OYSAPBIDIHMAFD-UHFFFAOYSA-N 1 2 360.820 3.210 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000824871129 729363150 /nfs/dbraw/zinc/36/31/50/729363150.db2.gz BUROEKUASIVWDH-UHFFFAOYSA-N 1 2 359.426 3.228 20 30 FGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000840728726 730166906 /nfs/dbraw/zinc/16/69/06/730166906.db2.gz KVBZFQFKBCGERR-JSGCOSHPSA-N 1 2 359.451 3.461 20 30 FGEDLO CC([NH2+]Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)=C1CC1(F)F ZINC000841627935 730260533 /nfs/dbraw/zinc/26/05/33/730260533.db2.gz GWXOZYMNCIVTJZ-GFCCVEGCSA-N 1 2 372.422 3.387 20 30 FGEDLO C#CC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000843426638 730619806 /nfs/dbraw/zinc/61/98/06/730619806.db2.gz DRBOYWNFELNOAA-UHFFFAOYSA-N 1 2 358.077 3.452 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437986 730718185 /nfs/dbraw/zinc/71/81/85/730718185.db2.gz NFKQUHNAESCUHT-INIZCTEOSA-N 1 2 351.422 3.362 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437986 730718188 /nfs/dbraw/zinc/71/81/88/730718188.db2.gz NFKQUHNAESCUHT-INIZCTEOSA-N 1 2 351.422 3.362 20 30 FGEDLO C[C@@H](CC(=O)OCC#Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845282251 730826956 /nfs/dbraw/zinc/82/69/56/730826956.db2.gz MWMQQSGXSSVABL-ZDUSSCGKSA-N 1 2 352.312 3.328 20 30 FGEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845442323 730850343 /nfs/dbraw/zinc/85/03/43/730850343.db2.gz DXOHCCSPMBJTES-IINYFYTJSA-N 1 2 365.220 3.489 20 30 FGEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845442326 730850443 /nfs/dbraw/zinc/85/04/43/730850443.db2.gz DXOHCCSPMBJTES-YGRLFVJLSA-N 1 2 365.220 3.489 20 30 FGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(Br)cc(C)c1O ZINC000848417333 731162052 /nfs/dbraw/zinc/16/20/52/731162052.db2.gz VGIVTNHMSBCSPL-UHFFFAOYSA-N 1 2 351.248 3.064 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000852773618 731633645 /nfs/dbraw/zinc/63/36/45/731633645.db2.gz BPMAOEHGLNQVJK-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000852773618 731633647 /nfs/dbraw/zinc/63/36/47/731633647.db2.gz BPMAOEHGLNQVJK-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCCCn1cc(Br)cn1 ZINC000853629644 731734175 /nfs/dbraw/zinc/73/41/75/731734175.db2.gz AVOCDLWQOIVKLB-UHFFFAOYSA-N 1 2 363.259 3.335 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000855561620 731937732 /nfs/dbraw/zinc/93/77/32/731937732.db2.gz RWWWAYWZUHPQSL-AWEZNQCLSA-N 1 2 355.663 3.447 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000855561620 731937734 /nfs/dbraw/zinc/93/77/34/731937734.db2.gz RWWWAYWZUHPQSL-AWEZNQCLSA-N 1 2 355.663 3.447 20 30 FGEDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C#N)COC)c1cccc(C(F)(F)F)c1 ZINC000857067459 732099608 /nfs/dbraw/zinc/09/96/08/732099608.db2.gz LZLHBCXVRQJOSJ-HUUCEWRRSA-N 1 2 358.360 3.170 20 30 FGEDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C#N)COC)c1cccc(C(F)(F)F)c1 ZINC000857067457 732099652 /nfs/dbraw/zinc/09/96/52/732099652.db2.gz LZLHBCXVRQJOSJ-CABCVRRESA-N 1 2 358.360 3.170 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000859607104 732360076 /nfs/dbraw/zinc/36/00/76/732360076.db2.gz UKQABWTUJXOBGR-CHWSQXEVSA-N 1 2 361.408 3.315 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000859607104 732360083 /nfs/dbraw/zinc/36/00/83/732360083.db2.gz UKQABWTUJXOBGR-CHWSQXEVSA-N 1 2 361.408 3.315 20 30 FGEDLO C=C(Br)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000859772188 732390865 /nfs/dbraw/zinc/39/08/65/732390865.db2.gz YAIWGOWKSPHQIK-UHFFFAOYSA-N 1 2 370.291 3.127 20 30 FGEDLO CC(=[NH+]NCC(F)(F)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000863180077 732920406 /nfs/dbraw/zinc/92/04/06/732920406.db2.gz YFOLOXAYURZNKQ-UHFFFAOYSA-N 1 2 369.309 3.174 20 30 FGEDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866340648 733337670 /nfs/dbraw/zinc/33/76/70/733337670.db2.gz GZUDQIACUPEKNL-HUUCEWRRSA-N 1 2 358.463 3.085 20 30 FGEDLO CC(=O)N(c1nc(C[N@H+](C)CCc2cccc(C#N)c2)cs1)C1CC1 ZINC000877704369 736708793 /nfs/dbraw/zinc/70/87/93/736708793.db2.gz NFBBRHUYHSPWJA-UHFFFAOYSA-N 1 2 354.479 3.205 20 30 FGEDLO CC(=O)N(c1nc(C[N@@H+](C)CCc2cccc(C#N)c2)cs1)C1CC1 ZINC000877704369 736708796 /nfs/dbraw/zinc/70/87/96/736708796.db2.gz NFBBRHUYHSPWJA-UHFFFAOYSA-N 1 2 354.479 3.205 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158926 736962108 /nfs/dbraw/zinc/96/21/08/736962108.db2.gz OEKZWAUMYJFGNA-LBPRGKRZSA-N 1 2 362.861 3.314 20 30 FGEDLO N#CC1(Cn2cc(-c3csc(Cn4cc[nH+]c4)n3)nn2)CCCCC1 ZINC000887531094 739392918 /nfs/dbraw/zinc/39/29/18/739392918.db2.gz ASTSMMQDOADVQQ-UHFFFAOYSA-N 1 2 353.455 3.120 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000895835746 742459921 /nfs/dbraw/zinc/45/99/21/742459921.db2.gz NPPFQZKSVYLQMT-UHFFFAOYSA-N 1 2 355.232 3.260 20 30 FGEDLO CSCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1nnc2ccccn21 ZINC000902729809 743771398 /nfs/dbraw/zinc/77/13/98/743771398.db2.gz NWTXLOIDAWWPLL-HIFRSBDPSA-N 1 2 352.467 3.141 20 30 FGEDLO CCCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)c1snc(C)c1C#N ZINC000906175428 744100396 /nfs/dbraw/zinc/10/03/96/744100396.db2.gz NATCPVDNQTVBGQ-UHFFFAOYSA-N 1 2 353.451 3.265 20 30 FGEDLO NC(=[NH2+])NN=Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000915050724 757870137 /nfs/dbraw/zinc/87/01/37/757870137.db2.gz HXSVVIZWLNECPE-UHFFFAOYSA-N 1 2 352.829 3.069 20 30 FGEDLO Cc1cc(Br)cn2c(CN[C@H](CC#N)C(F)(F)F)c[nH+]c12 ZINC000922648370 758968735 /nfs/dbraw/zinc/96/87/35/758968735.db2.gz ZWIAQZCFGQXHKU-LLVKDONJSA-N 1 2 361.165 3.339 20 30 FGEDLO CC[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1cccc(C#N)c1O ZINC000926494802 759760994 /nfs/dbraw/zinc/76/09/94/759760994.db2.gz KDUNUCJAKXBXMW-MRXNPFEDSA-N 1 2 355.829 3.243 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C(C)(C)C1 ZINC000974606131 763036027 /nfs/dbraw/zinc/03/60/27/763036027.db2.gz WCSNUZORTUILDZ-SQNIBIBYSA-N 1 2 362.901 3.486 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C(C)(C)C1 ZINC000974606131 763036038 /nfs/dbraw/zinc/03/60/38/763036038.db2.gz WCSNUZORTUILDZ-SQNIBIBYSA-N 1 2 362.901 3.486 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004439635 765431437 /nfs/dbraw/zinc/43/14/37/765431437.db2.gz VIBAPFUFWLTCKJ-KURKYZTESA-N 1 2 357.523 3.387 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004439635 765431441 /nfs/dbraw/zinc/43/14/41/765431441.db2.gz VIBAPFUFWLTCKJ-KURKYZTESA-N 1 2 357.523 3.387 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004439637 765431757 /nfs/dbraw/zinc/43/17/57/765431757.db2.gz VIBAPFUFWLTCKJ-KZNAEPCWSA-N 1 2 357.523 3.387 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004439637 765431759 /nfs/dbraw/zinc/43/17/59/765431759.db2.gz VIBAPFUFWLTCKJ-KZNAEPCWSA-N 1 2 357.523 3.387 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001008557509 765674854 /nfs/dbraw/zinc/67/48/54/765674854.db2.gz DJMGPEOCKWMIPO-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001008557509 765674861 /nfs/dbraw/zinc/67/48/61/765674861.db2.gz DJMGPEOCKWMIPO-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001008811046 765706603 /nfs/dbraw/zinc/70/66/03/765706603.db2.gz POZFVHRFNXSNSB-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001008811046 765706606 /nfs/dbraw/zinc/70/66/06/765706606.db2.gz POZFVHRFNXSNSB-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001014473274 765783264 /nfs/dbraw/zinc/78/32/64/765783264.db2.gz ZCRGGTPRJYZOBF-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001014473274 765783268 /nfs/dbraw/zinc/78/32/68/765783268.db2.gz ZCRGGTPRJYZOBF-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001027940435 766105502 /nfs/dbraw/zinc/10/55/02/766105502.db2.gz MYQWWJWHWKLTJL-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001027940435 766105508 /nfs/dbraw/zinc/10/55/08/766105508.db2.gz MYQWWJWHWKLTJL-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001034441553 766242383 /nfs/dbraw/zinc/24/23/83/766242383.db2.gz HIQPPRLMLAKCFD-GUDVDZBRSA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001034441553 766242388 /nfs/dbraw/zinc/24/23/88/766242388.db2.gz HIQPPRLMLAKCFD-GUDVDZBRSA-N 1 2 362.901 3.282 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001045442729 766536364 /nfs/dbraw/zinc/53/63/64/766536364.db2.gz NYCYMDWEWKWQFP-URQVRESPSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001046489798 766591759 /nfs/dbraw/zinc/59/17/59/766591759.db2.gz FIHHRMNCBJXQCD-WSTZPKSXSA-N 1 2 362.901 3.110 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001046489798 766591766 /nfs/dbraw/zinc/59/17/66/766591766.db2.gz FIHHRMNCBJXQCD-WSTZPKSXSA-N 1 2 362.901 3.110 20 30 FGEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001054045547 766996569 /nfs/dbraw/zinc/99/65/69/766996569.db2.gz UJDYXTJBNXSHNT-SLFFLAALSA-N 1 2 350.487 3.028 20 30 FGEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001054045547 766996573 /nfs/dbraw/zinc/99/65/73/766996573.db2.gz UJDYXTJBNXSHNT-SLFFLAALSA-N 1 2 350.487 3.028 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(C#N)s1 ZINC000359902029 210194857 /nfs/dbraw/zinc/19/48/57/210194857.db2.gz RBACIBOCKHNHSI-UWVGGRQHSA-N 1 2 355.389 3.187 20 30 FGEDLO C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000570970059 505623441 /nfs/dbraw/zinc/62/34/41/505623441.db2.gz HGJRKTBZLBLIIO-RISCZKNCSA-N 1 2 352.316 3.114 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N(C)C[C@H](C)C#N)c3)cn2c1 ZINC000068226013 493781404 /nfs/dbraw/zinc/78/14/04/493781404.db2.gz XDTORLLUKHAJGF-MRXNPFEDSA-N 1 2 362.433 3.453 20 30 FGEDLO CC[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000057860689 493809225 /nfs/dbraw/zinc/80/92/25/493809225.db2.gz LDGHFKDMYUAUES-IBGZPJMESA-N 1 2 369.490 3.016 20 30 FGEDLO C=CCOc1cccc(NC(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000076035581 493811177 /nfs/dbraw/zinc/81/11/77/493811177.db2.gz HIENPRPNDVZAFQ-UHFFFAOYSA-N 1 2 372.494 3.494 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057877242 493811802 /nfs/dbraw/zinc/81/18/02/493811802.db2.gz CIAGFRWQJSXNRQ-MRXNPFEDSA-N 1 2 351.454 3.052 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1F ZINC000029087823 493815903 /nfs/dbraw/zinc/81/59/03/493815903.db2.gz ZAYIMEWILYZEDH-FQEVSTJZSA-N 1 2 362.408 3.269 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152871 493833526 /nfs/dbraw/zinc/83/35/26/493833526.db2.gz XHQNWUSOCKGXOS-UXHICEINSA-N 1 2 359.429 3.054 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152871 493833530 /nfs/dbraw/zinc/83/35/30/493833530.db2.gz XHQNWUSOCKGXOS-UXHICEINSA-N 1 2 359.429 3.054 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000029686929 493851189 /nfs/dbraw/zinc/85/11/89/493851189.db2.gz BDWGQIBQAYBPHP-NHCUHLMSSA-N 1 2 363.436 3.145 20 30 FGEDLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccc(C#N)cc1 ZINC000076269044 493857288 /nfs/dbraw/zinc/85/72/88/493857288.db2.gz QMDZCJRHFJINNN-VIFPVBQESA-N 1 2 357.215 3.171 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)c1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000049617930 493876557 /nfs/dbraw/zinc/87/65/57/493876557.db2.gz ZLSDKIJKJVHQCJ-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccc(C#N)c1 ZINC000068827115 493880034 /nfs/dbraw/zinc/88/00/34/493880034.db2.gz HGNQYQGLLIGLLM-UHFFFAOYSA-N 1 2 351.425 3.344 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccc(C#N)c1 ZINC000068827115 493880036 /nfs/dbraw/zinc/88/00/36/493880036.db2.gz HGNQYQGLLIGLLM-UHFFFAOYSA-N 1 2 351.425 3.344 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000050108192 493899102 /nfs/dbraw/zinc/89/91/02/493899102.db2.gz DBZSBHOIMUXRMU-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512324 493906710 /nfs/dbraw/zinc/90/67/10/493906710.db2.gz QRIQSZPZEOHGFC-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512324 493906713 /nfs/dbraw/zinc/90/67/13/493906713.db2.gz QRIQSZPZEOHGFC-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000050274140 493906994 /nfs/dbraw/zinc/90/69/94/493906994.db2.gz ANEUAXZBDRKIQO-SFHVURJKSA-N 1 2 371.481 3.183 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000050274140 493906997 /nfs/dbraw/zinc/90/69/97/493906997.db2.gz ANEUAXZBDRKIQO-SFHVURJKSA-N 1 2 371.481 3.183 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069607014 493985791 /nfs/dbraw/zinc/98/57/91/493985791.db2.gz GRYUQMHVHQFIPS-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3snc(Cl)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052219362 494012949 /nfs/dbraw/zinc/01/29/49/494012949.db2.gz FDCJHBBBCGHHKP-PHIMTYICSA-N 1 2 363.874 3.289 20 30 FGEDLO C=CCNC(=O)C[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000077217486 494035415 /nfs/dbraw/zinc/03/54/15/494035415.db2.gz SEOOHJBLRJPWTE-UHFFFAOYSA-N 1 2 354.450 3.008 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(c3ncc(C)s3)CC2)c1C#N ZINC000577257921 505695738 /nfs/dbraw/zinc/69/57/38/505695738.db2.gz HIENVAYPMBEQPA-UHFFFAOYSA-N 1 2 355.463 3.489 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297865 494040889 /nfs/dbraw/zinc/04/08/89/494040889.db2.gz DNCGBLWCMFWFAE-UHFFFAOYSA-N 1 2 370.453 3.268 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297865 494040894 /nfs/dbraw/zinc/04/08/94/494040894.db2.gz DNCGBLWCMFWFAE-UHFFFAOYSA-N 1 2 370.453 3.268 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297700 494041157 /nfs/dbraw/zinc/04/11/57/494041157.db2.gz HPVPAQCSUXXAIL-MRXNPFEDSA-N 1 2 353.422 3.460 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297700 494041160 /nfs/dbraw/zinc/04/11/60/494041160.db2.gz HPVPAQCSUXXAIL-MRXNPFEDSA-N 1 2 353.422 3.460 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000063300470 494042586 /nfs/dbraw/zinc/04/25/86/494042586.db2.gz OJMMHTPXYGUNMG-UHFFFAOYSA-N 1 2 363.465 3.497 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccc(C#N)c1 ZINC000063300470 494042589 /nfs/dbraw/zinc/04/25/89/494042589.db2.gz OJMMHTPXYGUNMG-UHFFFAOYSA-N 1 2 363.465 3.497 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000077270638 494045119 /nfs/dbraw/zinc/04/51/19/494045119.db2.gz ULCBQGAKIMONFN-HRAATJIYSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000077270638 494045122 /nfs/dbraw/zinc/04/51/22/494045122.db2.gz ULCBQGAKIMONFN-HRAATJIYSA-N 1 2 352.434 3.408 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000063388188 494050032 /nfs/dbraw/zinc/05/00/32/494050032.db2.gz FKHZXIQRTPITCO-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000063388188 494050034 /nfs/dbraw/zinc/05/00/34/494050034.db2.gz FKHZXIQRTPITCO-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO Cc1nc(C2([NH2+]CC(=O)Nc3cccc(C#N)c3)CCCCCC2)no1 ZINC000063512154 494061644 /nfs/dbraw/zinc/06/16/44/494061644.db2.gz DUBIYWKTDAHLRB-UHFFFAOYSA-N 1 2 353.426 3.028 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Cl)c1Cl ZINC000052919742 494075992 /nfs/dbraw/zinc/07/59/92/494075992.db2.gz YMETTWJJBMBZPV-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Cl)c1Cl ZINC000052919742 494075995 /nfs/dbraw/zinc/07/59/95/494075995.db2.gz YMETTWJJBMBZPV-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2c(C)cc(C)cc2Cl)cs1 ZINC000071966204 494113431 /nfs/dbraw/zinc/11/34/31/494113431.db2.gz QRGTUSMFRPGYMG-UHFFFAOYSA-N 1 2 366.874 3.192 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccc(Cl)c3)CC2)cc1 ZINC000053680610 494158388 /nfs/dbraw/zinc/15/83/88/494158388.db2.gz MESIJBURVGHTTR-UHFFFAOYSA-N 1 2 367.880 3.489 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1ccc(OC)cc1 ZINC000054272416 494214350 /nfs/dbraw/zinc/21/43/50/494214350.db2.gz PMAYVVLUVOTRDN-UHFFFAOYSA-N 1 2 374.462 3.170 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1ccc(OC)cc1 ZINC000054272416 494214353 /nfs/dbraw/zinc/21/43/53/494214353.db2.gz PMAYVVLUVOTRDN-UHFFFAOYSA-N 1 2 374.462 3.170 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1C ZINC000054391301 494229710 /nfs/dbraw/zinc/22/97/10/494229710.db2.gz YRTWBYPPCHKISY-UHFFFAOYSA-N 1 2 365.477 3.490 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1C ZINC000054391301 494229713 /nfs/dbraw/zinc/22/97/13/494229713.db2.gz YRTWBYPPCHKISY-UHFFFAOYSA-N 1 2 365.477 3.490 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c(C#N)c1C ZINC000054618792 494251490 /nfs/dbraw/zinc/25/14/90/494251490.db2.gz IMJZSBQOVOKOHU-UHFFFAOYSA-N 1 2 367.449 3.388 20 30 FGEDLO Cc1c(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)nc2ccccc12 ZINC000078719907 494348631 /nfs/dbraw/zinc/34/86/31/494348631.db2.gz MYYORYUBSLXTLP-UHFFFAOYSA-N 1 2 372.900 3.245 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(C4CCCC4)ns3)CC2)cc1 ZINC000577378922 505716771 /nfs/dbraw/zinc/71/67/71/505716771.db2.gz RCBPFZMMGVLMQJ-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCc1cccc(C#N)c1 ZINC000073629842 494404326 /nfs/dbraw/zinc/40/43/26/494404326.db2.gz JLUPZVMKGKYJEC-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCSCC2)c1C#N ZINC000089982794 494420005 /nfs/dbraw/zinc/42/00/05/494420005.db2.gz DSRKDOUQQLWXMJ-UHFFFAOYSA-N 1 2 360.527 3.469 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCSCC2)c1C#N ZINC000089982794 494420010 /nfs/dbraw/zinc/42/00/10/494420010.db2.gz DSRKDOUQQLWXMJ-UHFFFAOYSA-N 1 2 360.527 3.469 20 30 FGEDLO C[C@@H](C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000066854111 494427877 /nfs/dbraw/zinc/42/78/77/494427877.db2.gz LADQTXRFJQVAAP-YJBOKZPZSA-N 1 2 374.444 3.247 20 30 FGEDLO C[C@@H](C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000066854111 494427881 /nfs/dbraw/zinc/42/78/81/494427881.db2.gz LADQTXRFJQVAAP-YJBOKZPZSA-N 1 2 374.444 3.247 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000045808488 494465489 /nfs/dbraw/zinc/46/54/89/494465489.db2.gz LPYJKMMYAAGMSQ-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO COCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046033054 494489301 /nfs/dbraw/zinc/48/93/01/494489301.db2.gz BADHGIDTGHXXBD-UHFFFAOYSA-N 1 2 364.449 3.054 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056786 494520450 /nfs/dbraw/zinc/52/04/50/494520450.db2.gz VWUGHRBOZPKFFB-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056786 494520454 /nfs/dbraw/zinc/52/04/54/494520454.db2.gz VWUGHRBOZPKFFB-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000091067267 494523460 /nfs/dbraw/zinc/52/34/60/494523460.db2.gz RKMZZUNNSUVARC-INIZCTEOSA-N 1 2 362.437 3.123 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000091067267 494523465 /nfs/dbraw/zinc/52/34/65/494523465.db2.gz RKMZZUNNSUVARC-INIZCTEOSA-N 1 2 362.437 3.123 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000046519089 494534777 /nfs/dbraw/zinc/53/47/77/494534777.db2.gz JFWREPPSKIIAOB-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000046519089 494534782 /nfs/dbraw/zinc/53/47/82/494534782.db2.gz JFWREPPSKIIAOB-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000074508529 494550263 /nfs/dbraw/zinc/55/02/63/494550263.db2.gz YVPFPGGRCDBPNC-UHFFFAOYSA-N 1 2 360.417 3.349 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000125939193 494582213 /nfs/dbraw/zinc/58/22/13/494582213.db2.gz CNVAIHZEHKRWJL-OAHLLOKOSA-N 1 2 360.417 3.102 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1cccc(F)c1F)Cc1ccc(C#N)cc1OC ZINC000121103369 494596891 /nfs/dbraw/zinc/59/68/91/494596891.db2.gz YDYKEQPELVOVLX-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO COC(=O)CC[N@H+](Cc1cccc(F)c1F)Cc1ccc(C#N)cc1OC ZINC000121103369 494596896 /nfs/dbraw/zinc/59/68/96/494596896.db2.gz YDYKEQPELVOVLX-UHFFFAOYSA-N 1 2 374.387 3.410 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361750 494605652 /nfs/dbraw/zinc/60/56/52/494605652.db2.gz LBMZXQHDNRUNLZ-CYBMUJFWSA-N 1 2 351.365 3.020 20 30 FGEDLO C=CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361750 494605656 /nfs/dbraw/zinc/60/56/56/494605656.db2.gz LBMZXQHDNRUNLZ-CYBMUJFWSA-N 1 2 351.365 3.020 20 30 FGEDLO CCc1nnc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c(C#N)c1CC ZINC000121182957 494635601 /nfs/dbraw/zinc/63/56/01/494635601.db2.gz TVWLOIXHYGCKES-QGZVFWFLSA-N 1 2 371.510 3.020 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000080202276 494637492 /nfs/dbraw/zinc/63/74/92/494637492.db2.gz BXYNVJHSWXXUMJ-HNNXBMFYSA-N 1 2 352.425 3.028 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000080202276 494637496 /nfs/dbraw/zinc/63/74/96/494637496.db2.gz BXYNVJHSWXXUMJ-HNNXBMFYSA-N 1 2 352.425 3.028 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c(F)c1 ZINC000092596924 494681833 /nfs/dbraw/zinc/68/18/33/494681833.db2.gz WKCNSJWRITZIPF-UHFFFAOYSA-N 1 2 367.453 3.471 20 30 FGEDLO N#CCC[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000131695917 494702138 /nfs/dbraw/zinc/70/21/38/494702138.db2.gz MNXRDTZJTYUTAX-GOSISDBHSA-N 1 2 360.421 3.112 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000121344456 494712077 /nfs/dbraw/zinc/71/20/77/494712077.db2.gz CEDPZTHWHGZZMC-UHFFFAOYSA-N 1 2 367.449 3.394 20 30 FGEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000121344456 494712082 /nfs/dbraw/zinc/71/20/82/494712082.db2.gz CEDPZTHWHGZZMC-UHFFFAOYSA-N 1 2 367.449 3.394 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025421519 494739546 /nfs/dbraw/zinc/73/95/46/494739546.db2.gz GTTDEBZPXISCSB-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025421519 494739550 /nfs/dbraw/zinc/73/95/50/494739550.db2.gz GTTDEBZPXISCSB-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121433557 494755049 /nfs/dbraw/zinc/75/50/49/494755049.db2.gz OAAPSLKIUJMEKV-NRFANRHFSA-N 1 2 352.434 3.193 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121433557 494755058 /nfs/dbraw/zinc/75/50/58/494755058.db2.gz OAAPSLKIUJMEKV-NRFANRHFSA-N 1 2 352.434 3.193 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000047772059 494773345 /nfs/dbraw/zinc/77/33/45/494773345.db2.gz NXFVQZYIZKVUCZ-UHFFFAOYSA-N 1 2 364.474 3.266 20 30 FGEDLO N#Cc1ccc2nc(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000092885999 494780823 /nfs/dbraw/zinc/78/08/23/494780823.db2.gz IHOLGDDUVDSPON-FQEVSTJZSA-N 1 2 358.445 3.419 20 30 FGEDLO N#Cc1ccc2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000092885999 494780830 /nfs/dbraw/zinc/78/08/30/494780830.db2.gz IHOLGDDUVDSPON-FQEVSTJZSA-N 1 2 358.445 3.419 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000121519831 494789762 /nfs/dbraw/zinc/78/97/62/494789762.db2.gz XHXWXUVCYBMBMR-UHFFFAOYSA-N 1 2 361.467 3.146 20 30 FGEDLO C=CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c21 ZINC000121519831 494789764 /nfs/dbraw/zinc/78/97/64/494789764.db2.gz XHXWXUVCYBMBMR-UHFFFAOYSA-N 1 2 361.467 3.146 20 30 FGEDLO CCCOc1c(Cl)cc(C[NH+]2CCN(CC#N)CC2)cc1OCC ZINC000092936432 494791934 /nfs/dbraw/zinc/79/19/34/494791934.db2.gz DAQKMMGAAPMCRG-UHFFFAOYSA-N 1 2 351.878 3.169 20 30 FGEDLO C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000131985477 494793411 /nfs/dbraw/zinc/79/34/11/494793411.db2.gz WTKNEYNSCVCBOE-GXFFZTMASA-N 1 2 358.294 3.112 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000075557600 494794444 /nfs/dbraw/zinc/79/44/44/494794444.db2.gz WYHUUCOCKBBJAO-LKUPDRCFSA-N 1 2 367.449 3.403 20 30 FGEDLO N#CCC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000132008129 494797609 /nfs/dbraw/zinc/79/76/09/494797609.db2.gz CJPCAMZSAKNENI-LJQANCHMSA-N 1 2 363.465 3.395 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000093099983 494826158 /nfs/dbraw/zinc/82/61/58/494826158.db2.gz AOKKTZYXTYEYBQ-UHFFFAOYSA-N 1 2 367.449 3.310 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000093099983 494826162 /nfs/dbraw/zinc/82/61/62/494826162.db2.gz AOKKTZYXTYEYBQ-UHFFFAOYSA-N 1 2 367.449 3.310 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000093100056 494826474 /nfs/dbraw/zinc/82/64/74/494826474.db2.gz DPQJVKQEQXWNOQ-UHFFFAOYSA-N 1 2 361.449 3.296 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000093100056 494826477 /nfs/dbraw/zinc/82/64/77/494826477.db2.gz DPQJVKQEQXWNOQ-UHFFFAOYSA-N 1 2 361.449 3.296 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)cc(OC)c1 ZINC000121646289 494829083 /nfs/dbraw/zinc/82/90/83/494829083.db2.gz PKNLWXUKDPLAID-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000027777162 494885147 /nfs/dbraw/zinc/88/51/47/494885147.db2.gz NGIVIBIMLORMSQ-UHFFFAOYSA-N 1 2 360.255 3.471 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000027777162 494885151 /nfs/dbraw/zinc/88/51/51/494885151.db2.gz NGIVIBIMLORMSQ-UHFFFAOYSA-N 1 2 360.255 3.471 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000110982136 495027787 /nfs/dbraw/zinc/02/77/87/495027787.db2.gz ODYBOGZVMLSAOV-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000110982136 495027788 /nfs/dbraw/zinc/02/77/88/495027788.db2.gz ODYBOGZVMLSAOV-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc(OC)c1O ZINC000128176318 495056005 /nfs/dbraw/zinc/05/60/05/495056005.db2.gz AKIIPLZHDODSSB-GOSISDBHSA-N 1 2 370.449 3.003 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc(OC)c1O ZINC000128176318 495056008 /nfs/dbraw/zinc/05/60/08/495056008.db2.gz AKIIPLZHDODSSB-GOSISDBHSA-N 1 2 370.449 3.003 20 30 FGEDLO C=CC1CC[NH+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000111260164 495056117 /nfs/dbraw/zinc/05/61/17/495056117.db2.gz QOUWNZVYGZARHE-UHFFFAOYSA-N 1 2 350.846 3.338 20 30 FGEDLO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128411812 495092906 /nfs/dbraw/zinc/09/29/06/495092906.db2.gz IZBWUGUAWUWEBL-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128411812 495092907 /nfs/dbraw/zinc/09/29/07/495092907.db2.gz IZBWUGUAWUWEBL-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C#N)c(C)c1C ZINC000101864016 495103427 /nfs/dbraw/zinc/10/34/27/495103427.db2.gz NSVBHKQSZQDVQE-UHFFFAOYSA-N 1 2 369.494 3.031 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128658061 495130910 /nfs/dbraw/zinc/13/09/10/495130910.db2.gz AIGXPJKFQQSMCD-ZRGWGRIASA-N 1 2 363.889 3.236 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128658061 495130914 /nfs/dbraw/zinc/13/09/14/495130914.db2.gz AIGXPJKFQQSMCD-ZRGWGRIASA-N 1 2 363.889 3.236 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000119356218 495149715 /nfs/dbraw/zinc/14/97/15/495149715.db2.gz PLNSPZPISJLERU-SFHVURJKSA-N 1 2 368.506 3.006 20 30 FGEDLO COc1cc(C[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123711625 495174826 /nfs/dbraw/zinc/17/48/26/495174826.db2.gz DUCWYCWWXBEXFL-UHFFFAOYSA-N 1 2 373.331 3.280 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000135159533 495257364 /nfs/dbraw/zinc/25/73/64/495257364.db2.gz CINPZUHHUTTXDV-YWZLYKJASA-N 1 2 352.434 3.249 20 30 FGEDLO N#CCC[C@H](NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000129759909 495292179 /nfs/dbraw/zinc/29/21/79/495292179.db2.gz PFBNUANEFWWJMR-OALUTQOASA-N 1 2 363.465 3.395 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135571624 495313322 /nfs/dbraw/zinc/31/33/22/495313322.db2.gz TYCZTWSEUPYEIW-DOTOQJQBSA-N 1 2 364.536 3.110 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135571624 495313324 /nfs/dbraw/zinc/31/33/24/495313324.db2.gz TYCZTWSEUPYEIW-DOTOQJQBSA-N 1 2 364.536 3.110 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105302533 495354423 /nfs/dbraw/zinc/35/44/23/495354423.db2.gz QGAWVHSYFYIVRG-UONOGXRCSA-N 1 2 371.934 3.208 20 30 FGEDLO C=CCNc1ncc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)s1 ZINC000136175849 495361773 /nfs/dbraw/zinc/36/17/73/495361773.db2.gz ZBQVKKYIJVYEFM-UHFFFAOYSA-N 1 2 371.510 3.302 20 30 FGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000120527546 495398468 /nfs/dbraw/zinc/39/84/68/495398468.db2.gz YHOADJJSMXBIRK-UHFFFAOYSA-N 1 2 363.461 3.087 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114705769 495412232 /nfs/dbraw/zinc/41/22/32/495412232.db2.gz GBXPIMVWWXTMGG-KRWDZBQOSA-N 1 2 351.450 3.165 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130911467 495466301 /nfs/dbraw/zinc/46/63/01/495466301.db2.gz KPUMXWUFXWTJQL-WMLDXEAASA-N 1 2 356.401 3.149 20 30 FGEDLO Cc1nc(-c2ccccc2)sc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599319 495520923 /nfs/dbraw/zinc/52/09/23/495520923.db2.gz SOTGRGPUBGCOEO-GOSISDBHSA-N 1 2 362.458 3.306 20 30 FGEDLO Cc1ccccc1N1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173465748 495542340 /nfs/dbraw/zinc/54/23/40/495542340.db2.gz LGCMCFWVZYTVLY-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000176246652 495562370 /nfs/dbraw/zinc/56/23/70/495562370.db2.gz AVSIPGBLESQWOV-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000176246652 495562375 /nfs/dbraw/zinc/56/23/75/495562375.db2.gz AVSIPGBLESQWOV-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000173705567 495655805 /nfs/dbraw/zinc/65/58/05/495655805.db2.gz UEKKNEBCVVXHLR-UHFFFAOYSA-N 1 2 362.437 3.023 20 30 FGEDLO CCOC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000170985111 495677512 /nfs/dbraw/zinc/67/75/12/495677512.db2.gz UFEMOYRXWVMZAG-OAHLLOKOSA-N 1 2 361.511 3.378 20 30 FGEDLO Cn1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C(F)(F)F ZINC000151033017 495716873 /nfs/dbraw/zinc/71/68/73/495716873.db2.gz BVWCOCKWXYGALN-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO Cn1cc(Cl)cc1C[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182843790 495726007 /nfs/dbraw/zinc/72/60/07/495726007.db2.gz HOJMSBPBWROOOL-SFHVURJKSA-N 1 2 356.857 3.178 20 30 FGEDLO Cn1cc(Cl)cc1C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182843790 495726010 /nfs/dbraw/zinc/72/60/10/495726010.db2.gz HOJMSBPBWROOOL-SFHVURJKSA-N 1 2 356.857 3.178 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000179882464 495769714 /nfs/dbraw/zinc/76/97/14/495769714.db2.gz AGXMMAHMRKJUCC-UHFFFAOYSA-N 1 2 371.491 3.049 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185977768 495807383 /nfs/dbraw/zinc/80/73/83/495807383.db2.gz OFBSXKCBZNFFMR-WDEREUQCSA-N 1 2 362.421 3.211 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(Br)c1 ZINC000179987777 495812133 /nfs/dbraw/zinc/81/21/33/495812133.db2.gz WXMMTEJPAGTKRN-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000180148087 495880506 /nfs/dbraw/zinc/88/05/06/495880506.db2.gz PSNVTLCSFKUIGR-UHFFFAOYSA-N 1 2 370.460 3.477 20 30 FGEDLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000180148087 495880509 /nfs/dbraw/zinc/88/05/09/495880509.db2.gz PSNVTLCSFKUIGR-UHFFFAOYSA-N 1 2 370.460 3.477 20 30 FGEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1OC ZINC000155263213 495895325 /nfs/dbraw/zinc/89/53/25/495895325.db2.gz OKMKNDLLXYGIRX-IBGZPJMESA-N 1 2 351.450 3.086 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000186294504 495932552 /nfs/dbraw/zinc/93/25/52/495932552.db2.gz IMUQWBJRCLLLFX-KRWDZBQOSA-N 1 2 365.477 3.454 20 30 FGEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000183377111 495954670 /nfs/dbraw/zinc/95/46/70/495954670.db2.gz WHNWVTJFMVIOCQ-IBGZPJMESA-N 1 2 351.498 3.100 20 30 FGEDLO FC(F)(F)c1ccc(C#CCN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000177238927 495990090 /nfs/dbraw/zinc/99/00/90/495990090.db2.gz LFERPLDQIBAACK-UHFFFAOYSA-N 1 2 359.395 3.270 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)cc(OC)c1 ZINC000160937568 496071562 /nfs/dbraw/zinc/07/15/62/496071562.db2.gz OUYWGDCQAGSVDS-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)o1 ZINC000152240500 496090661 /nfs/dbraw/zinc/09/06/61/496090661.db2.gz NXOFGCOOADLHLM-UHFFFAOYSA-N 1 2 357.458 3.195 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000152361592 496126780 /nfs/dbraw/zinc/12/67/80/496126780.db2.gz UTHFBIUBZZAOBJ-UXHICEINSA-N 1 2 370.884 3.468 20 30 FGEDLO C[S@](=O)Cc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1Cl ZINC000180759350 496135472 /nfs/dbraw/zinc/13/54/72/496135472.db2.gz SMGONDMHCAPJDQ-DEOSSOPVSA-N 1 2 358.854 3.350 20 30 FGEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(C(F)(F)F)cs1 ZINC000174959118 496182252 /nfs/dbraw/zinc/18/22/52/496182252.db2.gz RJTQMVYQJWUJIK-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(C(F)(F)F)cs1 ZINC000174959118 496182256 /nfs/dbraw/zinc/18/22/56/496182256.db2.gz RJTQMVYQJWUJIK-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc(C(F)(F)F)cs1 ZINC000174988417 496196202 /nfs/dbraw/zinc/19/62/02/496196202.db2.gz JSFYWBRLRBOAPN-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc(C(F)(F)F)cs1 ZINC000174988417 496196206 /nfs/dbraw/zinc/19/62/06/496196206.db2.gz JSFYWBRLRBOAPN-UHFFFAOYSA-N 1 2 368.384 3.494 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1C#N ZINC000152592335 496196838 /nfs/dbraw/zinc/19/68/38/496196838.db2.gz NCONLLKKHWYXIK-LJQANCHMSA-N 1 2 362.458 3.159 20 30 FGEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000172313382 496249930 /nfs/dbraw/zinc/24/99/30/496249930.db2.gz CDOBEQIKZMFTDV-AUUYWEPGSA-N 1 2 353.853 3.468 20 30 FGEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000172313382 496249934 /nfs/dbraw/zinc/24/99/34/496249934.db2.gz CDOBEQIKZMFTDV-AUUYWEPGSA-N 1 2 353.853 3.468 20 30 FGEDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000181063502 496256955 /nfs/dbraw/zinc/25/69/55/496256955.db2.gz WILYSLLUPNIGID-ZDUSSCGKSA-N 1 2 364.453 3.490 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(Br)c1 ZINC000181196659 496308715 /nfs/dbraw/zinc/30/87/15/496308715.db2.gz ZMLDXVKDTCHXIE-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO COc1c(C)cc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000156707660 496315784 /nfs/dbraw/zinc/31/57/84/496315784.db2.gz OCNWNAILPDATPS-UHFFFAOYSA-N 1 2 372.490 3.089 20 30 FGEDLO COc1c(C)cc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000156707660 496315788 /nfs/dbraw/zinc/31/57/88/496315788.db2.gz OCNWNAILPDATPS-UHFFFAOYSA-N 1 2 372.490 3.089 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1 ZINC000184566215 496442849 /nfs/dbraw/zinc/44/28/49/496442849.db2.gz QQCPPLOZMPVQHU-ZBFHGGJFSA-N 1 2 373.478 3.447 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000157657693 496523980 /nfs/dbraw/zinc/52/39/80/496523980.db2.gz SGORPLFIHFWNPA-CABCVRRESA-N 1 2 351.878 3.047 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000157657693 496523985 /nfs/dbraw/zinc/52/39/85/496523985.db2.gz SGORPLFIHFWNPA-CABCVRRESA-N 1 2 351.878 3.047 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000178682854 496538903 /nfs/dbraw/zinc/53/89/03/496538903.db2.gz VTYYQFUKXWKUBJ-KRWDZBQOSA-N 1 2 363.461 3.394 20 30 FGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182207256 496707601 /nfs/dbraw/zinc/70/76/01/496707601.db2.gz JZXSDQCTROQCRQ-UHFFFAOYSA-N 1 2 360.435 3.057 20 30 FGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182207256 496707605 /nfs/dbraw/zinc/70/76/05/496707605.db2.gz JZXSDQCTROQCRQ-UHFFFAOYSA-N 1 2 360.435 3.057 20 30 FGEDLO Cn1c[nH+]cc1CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000188221626 496719005 /nfs/dbraw/zinc/71/90/05/496719005.db2.gz DSHFSYZANPMVSX-UHFFFAOYSA-N 1 2 362.408 3.202 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)C1 ZINC000194871457 496742215 /nfs/dbraw/zinc/74/22/15/496742215.db2.gz FYFUXBWTTWGMST-CQSZACIVSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)C1 ZINC000194871457 496742217 /nfs/dbraw/zinc/74/22/17/496742217.db2.gz FYFUXBWTTWGMST-CQSZACIVSA-N 1 2 354.479 3.428 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1O ZINC000188632504 496859622 /nfs/dbraw/zinc/85/96/22/496859622.db2.gz RTDHYSHNSKNBMP-UHFFFAOYSA-N 1 2 360.417 3.023 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191861104 496913139 /nfs/dbraw/zinc/91/31/39/496913139.db2.gz UZGVAYKXIMVBFH-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191861104 496913145 /nfs/dbraw/zinc/91/31/45/496913145.db2.gz UZGVAYKXIMVBFH-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc(C(F)(F)F)ccc1C#N ZINC000265146257 497057487 /nfs/dbraw/zinc/05/74/87/497057487.db2.gz ADKSUNNTJSCNFK-UHFFFAOYSA-N 1 2 363.265 3.367 20 30 FGEDLO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)cc1 ZINC000574919891 505883520 /nfs/dbraw/zinc/88/35/20/505883520.db2.gz PICXQQIBUHXHSK-OAQYLSRUSA-N 1 2 365.433 3.255 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000265651826 497154183 /nfs/dbraw/zinc/15/41/83/497154183.db2.gz XMVRQUNKNJCITI-CMDGGOBGSA-N 1 2 361.445 3.351 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000249898576 497256367 /nfs/dbraw/zinc/25/63/67/497256367.db2.gz SGORPLFIHFWNPA-LSDHHAIUSA-N 1 2 351.878 3.047 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000249898576 497256370 /nfs/dbraw/zinc/25/63/70/497256370.db2.gz SGORPLFIHFWNPA-LSDHHAIUSA-N 1 2 351.878 3.047 20 30 FGEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190134345 497369675 /nfs/dbraw/zinc/36/96/75/497369675.db2.gz NPHAUSCKHFPZRQ-OAHLLOKOSA-N 1 2 369.387 3.388 20 30 FGEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190134345 497369682 /nfs/dbraw/zinc/36/96/82/497369682.db2.gz NPHAUSCKHFPZRQ-OAHLLOKOSA-N 1 2 369.387 3.388 20 30 FGEDLO COc1ccc([C@H](CNCc2nc(C#N)cs2)[NH+]2CCCCC2)cc1 ZINC000575030531 505907439 /nfs/dbraw/zinc/90/74/39/505907439.db2.gz IAYOKEJGLOFFNE-SFHVURJKSA-N 1 2 356.495 3.340 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245668357 497493591 /nfs/dbraw/zinc/49/35/91/497493591.db2.gz JJCQBWIAGAKVBV-RTBURBONSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245668357 497493594 /nfs/dbraw/zinc/49/35/94/497493594.db2.gz JJCQBWIAGAKVBV-RTBURBONSA-N 1 2 370.403 3.081 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)nc1 ZINC000193852808 497501511 /nfs/dbraw/zinc/50/15/11/497501511.db2.gz JCAAHACHANHIMS-UHFFFAOYSA-N 1 2 362.355 3.174 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000279760031 497532795 /nfs/dbraw/zinc/53/27/95/497532795.db2.gz RILWAVWASKTGCA-HNNXBMFYSA-N 1 2 358.873 3.327 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1 ZINC000279760031 497532800 /nfs/dbraw/zinc/53/28/00/497532800.db2.gz RILWAVWASKTGCA-HNNXBMFYSA-N 1 2 358.873 3.327 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccc(SC)cc2)n1 ZINC000279822660 497553844 /nfs/dbraw/zinc/55/38/44/497553844.db2.gz YTHQKEQOEWFVOU-OAHLLOKOSA-N 1 2 356.495 3.087 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccc(SC)cc2)n1 ZINC000279822660 497553849 /nfs/dbraw/zinc/55/38/49/497553849.db2.gz YTHQKEQOEWFVOU-OAHLLOKOSA-N 1 2 356.495 3.087 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245936504 497578883 /nfs/dbraw/zinc/57/88/83/497578883.db2.gz XJTGYLSRDOCZNA-DLBZAZTESA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245936504 497578888 /nfs/dbraw/zinc/57/88/88/497578888.db2.gz XJTGYLSRDOCZNA-DLBZAZTESA-N 1 2 360.820 3.244 20 30 FGEDLO N#Cc1ccc(C[S@](=O)Cc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000190809880 497610667 /nfs/dbraw/zinc/61/06/67/497610667.db2.gz DSKPTLJYLCMYCY-VWLOTQADSA-N 1 2 353.422 3.391 20 30 FGEDLO COCCOc1ccc(C(=O)/C=C/c2ccc(N(C)CCOC)[nH+]c2)cc1 ZINC000276684841 497627930 /nfs/dbraw/zinc/62/79/30/497627930.db2.gz UFRIJIFLMCOQJC-ONNFQVAWSA-N 1 2 370.449 3.086 20 30 FGEDLO CC(C)(C)[C@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272740550 497718341 /nfs/dbraw/zinc/71/83/41/497718341.db2.gz MBKWXMMNVQOFQU-KRWDZBQOSA-N 1 2 366.465 3.211 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268304799 497723060 /nfs/dbraw/zinc/72/30/60/497723060.db2.gz XVTBXIRKCNTGQB-ZDUSSCGKSA-N 1 2 353.451 3.035 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268304799 497723066 /nfs/dbraw/zinc/72/30/66/497723066.db2.gz XVTBXIRKCNTGQB-ZDUSSCGKSA-N 1 2 353.451 3.035 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)sc1C ZINC000280362428 497731839 /nfs/dbraw/zinc/73/18/39/497731839.db2.gz IYIZSYHFVIRWFN-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)sc1C ZINC000280362428 497731843 /nfs/dbraw/zinc/73/18/43/497731843.db2.gz IYIZSYHFVIRWFN-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246599539 497785917 /nfs/dbraw/zinc/78/59/17/497785917.db2.gz MNANVMBYWQDBQN-UYAOXDASSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246599539 497785922 /nfs/dbraw/zinc/78/59/22/497785922.db2.gz MNANVMBYWQDBQN-UYAOXDASSA-N 1 2 359.491 3.290 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@]2(C)CCOC2)C[C@@H](C)O1 ZINC000329588648 497838030 /nfs/dbraw/zinc/83/80/30/497838030.db2.gz ZAIPUGMVSMLJQX-QINHECLXSA-N 1 2 361.486 3.048 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149379 497899371 /nfs/dbraw/zinc/89/93/71/497899371.db2.gz KCMGFAWJLDQKPD-YOEHRIQHSA-N 1 2 361.405 3.218 20 30 FGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149379 497899379 /nfs/dbraw/zinc/89/93/79/497899379.db2.gz KCMGFAWJLDQKPD-YOEHRIQHSA-N 1 2 361.405 3.218 20 30 FGEDLO CC[C@H](NC(=O)C1CCC(=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329937171 497960846 /nfs/dbraw/zinc/96/08/46/497960846.db2.gz LIZFINBLJUANIR-VQTJNVASSA-N 1 2 358.482 3.382 20 30 FGEDLO CC[C@H](NC(=O)C1CCC(=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329937171 497960850 /nfs/dbraw/zinc/96/08/50/497960850.db2.gz LIZFINBLJUANIR-VQTJNVASSA-N 1 2 358.482 3.382 20 30 FGEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000329942083 497963028 /nfs/dbraw/zinc/96/30/28/497963028.db2.gz HBLYADQYGJKBHR-AWEZNQCLSA-N 1 2 356.513 3.015 20 30 FGEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)s1 ZINC000329942083 497963029 /nfs/dbraw/zinc/96/30/29/497963029.db2.gz HBLYADQYGJKBHR-AWEZNQCLSA-N 1 2 356.513 3.015 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)CCN1C ZINC000329953864 497968231 /nfs/dbraw/zinc/96/82/31/497968231.db2.gz OBHWPQMTVIEBCT-GOSISDBHSA-N 1 2 369.513 3.294 20 30 FGEDLO CCN1CCN(C(=O)NCc2c(C)oc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960787 497971154 /nfs/dbraw/zinc/97/11/54/497971154.db2.gz ODABBIAYZJRVRG-KRWDZBQOSA-N 1 2 367.453 3.257 20 30 FGEDLO CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)O1 ZINC000329984159 497979799 /nfs/dbraw/zinc/97/97/99/497979799.db2.gz QBYCUXLGDGFUJV-KKUMJFAQSA-N 1 2 369.506 3.122 20 30 FGEDLO CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)O1 ZINC000329984159 497979804 /nfs/dbraw/zinc/97/98/04/497979804.db2.gz QBYCUXLGDGFUJV-KKUMJFAQSA-N 1 2 369.506 3.122 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC(C)(C)C2CCCCC2)CCN1C ZINC000329986020 497981659 /nfs/dbraw/zinc/98/16/59/497981659.db2.gz DWDFLRFDLTUJQJ-KRWDZBQOSA-N 1 2 361.534 3.229 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301231953 498012948 /nfs/dbraw/zinc/01/29/48/498012948.db2.gz FVQQHPJWZXNOLJ-WBVHZDCISA-N 1 2 374.916 3.029 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000281105894 498021540 /nfs/dbraw/zinc/02/15/40/498021540.db2.gz HAVSTDHEGKYUMH-UHFFFAOYSA-N 1 2 366.371 3.300 20 30 FGEDLO O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1nc2c(s1)CCCC2 ZINC000330106751 498023569 /nfs/dbraw/zinc/02/35/69/498023569.db2.gz LGFVSVHDCRPAFM-ZDUSSCGKSA-N 1 2 358.467 3.158 20 30 FGEDLO O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)Nc1nc2c(s1)CCCC2 ZINC000330106751 498023575 /nfs/dbraw/zinc/02/35/75/498023575.db2.gz LGFVSVHDCRPAFM-ZDUSSCGKSA-N 1 2 358.467 3.158 20 30 FGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1nc3c(s1)CCC3)CC2 ZINC000330179188 498051576 /nfs/dbraw/zinc/05/15/76/498051576.db2.gz FFQHKTINNCVWFD-UHFFFAOYSA-N 1 2 357.479 3.329 20 30 FGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3c(s1)CCC3)CC2 ZINC000330179188 498051583 /nfs/dbraw/zinc/05/15/83/498051583.db2.gz FFQHKTINNCVWFD-UHFFFAOYSA-N 1 2 357.479 3.329 20 30 FGEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330193284 498056642 /nfs/dbraw/zinc/05/66/42/498056642.db2.gz YMCAAOUJSNJFEA-FQEVSTJZSA-N 1 2 368.481 3.094 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000285463101 498092953 /nfs/dbraw/zinc/09/29/53/498092953.db2.gz AIKMNEOUGPZMEI-HNNXBMFYSA-N 1 2 351.328 3.465 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000285463101 498092958 /nfs/dbraw/zinc/09/29/58/498092958.db2.gz AIKMNEOUGPZMEI-HNNXBMFYSA-N 1 2 351.328 3.465 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](Cc2nnc3n2CCOC3)C(C)(C)C)cc1 ZINC000281313911 498101111 /nfs/dbraw/zinc/10/11/11/498101111.db2.gz OOZJOMNPFYQXBS-UHFFFAOYSA-N 1 2 356.470 3.174 20 30 FGEDLO C=CCOc1ccc(C[N@H+](Cc2nnc3n2CCOC3)C(C)(C)C)cc1 ZINC000281313911 498101115 /nfs/dbraw/zinc/10/11/15/498101115.db2.gz OOZJOMNPFYQXBS-UHFFFAOYSA-N 1 2 356.470 3.174 20 30 FGEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000330328354 498106512 /nfs/dbraw/zinc/10/65/12/498106512.db2.gz LPZPCJDBOSDRSZ-ZDUSSCGKSA-N 1 2 373.482 3.180 20 30 FGEDLO CCc1nc2cc(NC(=O)N3CCN(CC)[C@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000330335116 498108992 /nfs/dbraw/zinc/10/89/92/498108992.db2.gz RFWAXEJOFJGWAM-HNNXBMFYSA-N 1 2 368.441 3.038 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330337575 498110548 /nfs/dbraw/zinc/11/05/48/498110548.db2.gz UDTXBIYRKXGHOU-QGZVFWFLSA-N 1 2 370.457 3.250 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000364856723 498176495 /nfs/dbraw/zinc/17/64/95/498176495.db2.gz AIROJAZRZYWASJ-OAHLLOKOSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000364856723 498176500 /nfs/dbraw/zinc/17/65/00/498176500.db2.gz AIROJAZRZYWASJ-OAHLLOKOSA-N 1 2 358.401 3.361 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285746782 498188815 /nfs/dbraw/zinc/18/88/15/498188815.db2.gz WIBCJOWSLWCFMC-UHFFFAOYSA-N 1 2 368.506 3.426 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285746782 498188820 /nfs/dbraw/zinc/18/88/20/498188820.db2.gz WIBCJOWSLWCFMC-UHFFFAOYSA-N 1 2 368.506 3.426 20 30 FGEDLO N#CC1(NC(=O)[C@H]2CC(=O)c3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000364968555 498232165 /nfs/dbraw/zinc/23/21/65/498232165.db2.gz GILDQGPUDSVYFC-FQEVSTJZSA-N 1 2 373.456 3.031 20 30 FGEDLO COCc1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cs1 ZINC000289799618 498298824 /nfs/dbraw/zinc/29/88/24/498298824.db2.gz LYNAQLVOQYAVIZ-UHFFFAOYSA-N 1 2 367.478 3.356 20 30 FGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297068791 498310722 /nfs/dbraw/zinc/31/07/22/498310722.db2.gz JIJSSYYFHLNDLS-LBPRGKRZSA-N 1 2 373.363 3.023 20 30 FGEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)OCC ZINC000365280624 498384870 /nfs/dbraw/zinc/38/48/70/498384870.db2.gz BLHBXCYSDNSLRI-IBGZPJMESA-N 1 2 370.497 3.015 20 30 FGEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000361466436 498396265 /nfs/dbraw/zinc/39/62/65/498396265.db2.gz XWQIXZDGSCCLIP-HNNXBMFYSA-N 1 2 372.498 3.033 20 30 FGEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000361466436 498396270 /nfs/dbraw/zinc/39/62/70/498396270.db2.gz XWQIXZDGSCCLIP-HNNXBMFYSA-N 1 2 372.498 3.033 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000282293880 498455627 /nfs/dbraw/zinc/45/56/27/498455627.db2.gz LRTQSEUYPUNFEQ-AWEZNQCLSA-N 1 2 370.403 3.389 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N(CC)[C@H](c1[nH+]ccn1C)c1cccnc1)OCC ZINC000362180979 498472142 /nfs/dbraw/zinc/47/21/42/498472142.db2.gz SVIPPMRZDKEGKP-MJGOQNOKSA-N 1 2 356.470 3.124 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000581722560 506054159 /nfs/dbraw/zinc/05/41/59/506054159.db2.gz FKFHLKNJBGGJQI-QAPCUYQASA-N 1 2 351.454 3.343 20 30 FGEDLO Cc1nc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)sc1SCC#N ZINC000362918161 498579736 /nfs/dbraw/zinc/57/97/36/498579736.db2.gz OWKARBLVJNRZRI-CQSZACIVSA-N 1 2 358.492 3.280 20 30 FGEDLO Cc1nc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)sc1SCC#N ZINC000362918161 498579744 /nfs/dbraw/zinc/57/97/44/498579744.db2.gz OWKARBLVJNRZRI-CQSZACIVSA-N 1 2 358.492 3.280 20 30 FGEDLO C[C@H]1CCCN(C(=O)C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000332163143 498584563 /nfs/dbraw/zinc/58/45/63/498584563.db2.gz ZKOUWTBGRHZUBW-KXBFYZLASA-N 1 2 368.481 3.105 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)OCC ZINC000363165389 498681329 /nfs/dbraw/zinc/68/13/29/498681329.db2.gz CQZYSYFKNWPBBV-IEBWSBKVSA-N 1 2 357.454 3.006 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000579014057 506074054 /nfs/dbraw/zinc/07/40/54/506074054.db2.gz MIEGGEAGIJODIN-CQSZACIVSA-N 1 2 354.888 3.099 20 30 FGEDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000287390839 498739773 /nfs/dbraw/zinc/73/97/73/498739773.db2.gz NLERGXKSDZFCMB-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000287390839 498739780 /nfs/dbraw/zinc/73/97/80/498739780.db2.gz NLERGXKSDZFCMB-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000298470386 498782308 /nfs/dbraw/zinc/78/23/08/498782308.db2.gz OWYSVGXDLAKHBI-KRWDZBQOSA-N 1 2 372.469 3.256 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000363397847 498799409 /nfs/dbraw/zinc/79/94/09/498799409.db2.gz XFBQLRFYGLBLEW-FGZHOGPDSA-N 1 2 364.493 3.466 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000363397847 498799413 /nfs/dbraw/zinc/79/94/13/498799413.db2.gz XFBQLRFYGLBLEW-FGZHOGPDSA-N 1 2 364.493 3.466 20 30 FGEDLO C#CCCOc1ccc(C[NH2+][C@H](c2nnc(C)n2C)c2ccccc2)cc1 ZINC000363412761 498807282 /nfs/dbraw/zinc/80/72/82/498807282.db2.gz UEEFJPHXSONQQE-NRFANRHFSA-N 1 2 360.461 3.405 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)c1C#N ZINC000579063323 506084678 /nfs/dbraw/zinc/08/46/78/506084678.db2.gz ZVFAAPLDWHCINZ-IHWYPQMZSA-N 1 2 360.433 3.437 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000581953336 506099079 /nfs/dbraw/zinc/09/90/79/506099079.db2.gz LUFDVFRODYSYPU-GFCCVEGCSA-N 1 2 353.260 3.293 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1)C1CC1 ZINC000332945244 498844253 /nfs/dbraw/zinc/84/42/53/498844253.db2.gz NOOYWUVCTLMSNW-JXFKEZNVSA-N 1 2 352.438 3.163 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)C1CC1 ZINC000332945244 498844258 /nfs/dbraw/zinc/84/42/58/498844258.db2.gz NOOYWUVCTLMSNW-JXFKEZNVSA-N 1 2 352.438 3.163 20 30 FGEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccs1 ZINC000298719015 498859408 /nfs/dbraw/zinc/85/94/08/498859408.db2.gz NHKAGGDDBKWZMM-OAHLLOKOSA-N 1 2 366.446 3.095 20 30 FGEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccs1 ZINC000298719015 498859414 /nfs/dbraw/zinc/85/94/14/498859414.db2.gz NHKAGGDDBKWZMM-OAHLLOKOSA-N 1 2 366.446 3.095 20 30 FGEDLO CC[C@]1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000328601744 498872283 /nfs/dbraw/zinc/87/22/83/498872283.db2.gz GAOAPHUXTYIULS-QGZVFWFLSA-N 1 2 352.504 3.175 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCN(c3ccccc3)C1)CCC2 ZINC000328638971 498885367 /nfs/dbraw/zinc/88/53/67/498885367.db2.gz BVJXHQSWMUJCAE-ZWKOTPCHSA-N 1 2 367.497 3.242 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)CCC2 ZINC000328642084 498886797 /nfs/dbraw/zinc/88/67/97/498886797.db2.gz DQIRDRKXBDMKCV-ULQDDVLXSA-N 1 2 362.518 3.414 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C2CC2)O1 ZINC000366378954 498901767 /nfs/dbraw/zinc/90/17/67/498901767.db2.gz NTJCCPXTJATEPG-VFNWGFHPSA-N 1 2 351.450 3.237 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C2CC2)O1 ZINC000366378954 498901770 /nfs/dbraw/zinc/90/17/70/498901770.db2.gz NTJCCPXTJATEPG-VFNWGFHPSA-N 1 2 351.450 3.237 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cc1I ZINC000579193235 506113978 /nfs/dbraw/zinc/11/39/78/506113978.db2.gz XVRSYICMQMCQON-JTQLQIEISA-N 1 2 373.625 3.478 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000328782367 498936964 /nfs/dbraw/zinc/93/69/64/498936964.db2.gz JPWFUUKEEXGXQG-VYDXJSESSA-N 1 2 361.490 3.396 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000328782367 498936969 /nfs/dbraw/zinc/93/69/69/498936969.db2.gz JPWFUUKEEXGXQG-VYDXJSESSA-N 1 2 361.490 3.396 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](CC(C)C)N1CCCCC1=O)CCC2 ZINC000328786597 498938432 /nfs/dbraw/zinc/93/84/32/498938432.db2.gz KUVALDXMRNXTBX-DLBZAZTESA-N 1 2 360.502 3.453 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000328831051 498953547 /nfs/dbraw/zinc/95/35/47/498953547.db2.gz KUWUBRPGABRHDO-MVIWZKCSSA-N 1 2 362.514 3.180 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000328831051 498953553 /nfs/dbraw/zinc/95/35/53/498953553.db2.gz KUWUBRPGABRHDO-MVIWZKCSSA-N 1 2 362.514 3.180 20 30 FGEDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000363713385 498956575 /nfs/dbraw/zinc/95/65/75/498956575.db2.gz NYCXJDRTXMVUOY-OAHLLOKOSA-N 1 2 369.494 3.040 20 30 FGEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H](C2CCOCC2)C1 ZINC000328840961 498957027 /nfs/dbraw/zinc/95/70/27/498957027.db2.gz OLXBPGJSSKMZDB-SFHVURJKSA-N 1 2 354.454 3.035 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)CCC2 ZINC000328842221 498957837 /nfs/dbraw/zinc/95/78/37/498957837.db2.gz UQYVFCQPMKISCP-HOTGVXAUSA-N 1 2 360.502 3.453 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H](C3CCOCC3)C2)c1 ZINC000328873210 498970332 /nfs/dbraw/zinc/97/03/32/498970332.db2.gz YUKABTDUNGNRNY-QGZVFWFLSA-N 1 2 354.454 3.381 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000328883826 498972648 /nfs/dbraw/zinc/97/26/48/498972648.db2.gz YECLTYVBQWJMII-ZBFHGGJFSA-N 1 2 354.454 3.426 20 30 FGEDLO Cc1nc([C@@H]2C[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)no1 ZINC000328981343 499004919 /nfs/dbraw/zinc/00/49/19/499004919.db2.gz DORVLQJKTRUFGF-MSOLQXFVSA-N 1 2 370.453 3.176 20 30 FGEDLO Cc1nc([C@@H]2C[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)no1 ZINC000328981343 499004926 /nfs/dbraw/zinc/00/49/26/499004926.db2.gz DORVLQJKTRUFGF-MSOLQXFVSA-N 1 2 370.453 3.176 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000329011715 499014786 /nfs/dbraw/zinc/01/47/86/499014786.db2.gz ORYQZEFQGQALSC-TZIWHRDSSA-N 1 2 366.465 3.189 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000366671859 499028191 /nfs/dbraw/zinc/02/81/91/499028191.db2.gz JZIRAKIIHJACMG-MOPGFXCFSA-N 1 2 371.387 3.446 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000366671859 499028196 /nfs/dbraw/zinc/02/81/96/499028196.db2.gz JZIRAKIIHJACMG-MOPGFXCFSA-N 1 2 371.387 3.446 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC000329165695 499060000 /nfs/dbraw/zinc/06/00/00/499060000.db2.gz HHGBGLVEFYUFRE-HNNXBMFYSA-N 1 2 364.453 3.285 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H](c3[nH]cc[nH+]3)C1)C2 ZINC000329240644 499081444 /nfs/dbraw/zinc/08/14/44/499081444.db2.gz RCHVFQFIQFECCI-CABCVRRESA-N 1 2 370.501 3.012 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOCC4(CC4)C3)n2)C1 ZINC000329309891 499095934 /nfs/dbraw/zinc/09/59/34/499095934.db2.gz QRJSFOOOZHANJN-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOCC4(CC4)C3)n2)C1 ZINC000329309891 499095935 /nfs/dbraw/zinc/09/59/35/499095935.db2.gz QRJSFOOOZHANJN-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@H]3COc4ccccc4C3)CC2)c[nH+]1 ZINC000329312309 499097329 /nfs/dbraw/zinc/09/73/29/499097329.db2.gz AJTMGEBRTANCBW-LJQANCHMSA-N 1 2 351.450 3.487 20 30 FGEDLO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534928 499129445 /nfs/dbraw/zinc/12/94/45/499129445.db2.gz LAODKUFVHITNIA-HZPDHXFCSA-N 1 2 350.846 3.373 20 30 FGEDLO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329534928 499129446 /nfs/dbraw/zinc/12/94/46/499129446.db2.gz LAODKUFVHITNIA-HZPDHXFCSA-N 1 2 350.846 3.373 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367041316 499138586 /nfs/dbraw/zinc/13/85/86/499138586.db2.gz UTIWRKRHWDJEEL-GDBMZVCRSA-N 1 2 350.422 3.063 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369884608 499145184 /nfs/dbraw/zinc/14/51/84/499145184.db2.gz QZPMQYHBBVXBJT-CYBMUJFWSA-N 1 2 355.413 3.428 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369884608 499145185 /nfs/dbraw/zinc/14/51/85/499145185.db2.gz QZPMQYHBBVXBJT-CYBMUJFWSA-N 1 2 355.413 3.428 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258463 499169411 /nfs/dbraw/zinc/16/94/11/499169411.db2.gz CVDABEFUJPLQNK-XWSJACJDSA-N 1 2 368.525 3.268 20 30 FGEDLO N#CCC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000372761540 499171919 /nfs/dbraw/zinc/17/19/19/499171919.db2.gz AHYYYIAZJYOGME-GOSISDBHSA-N 1 2 360.421 3.112 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367413606 499196225 /nfs/dbraw/zinc/19/62/25/499196225.db2.gz UPOCKNRWRYYJTE-HNNXBMFYSA-N 1 2 360.417 3.042 20 30 FGEDLO COc1cccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccn2)c1 ZINC000367439020 499199115 /nfs/dbraw/zinc/19/91/15/499199115.db2.gz RAZDPDAOSAUWFU-JOCHJYFZSA-N 1 2 369.428 3.489 20 30 FGEDLO C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000367907043 499244113 /nfs/dbraw/zinc/24/41/13/499244113.db2.gz NJNFKHBUEVLGSO-UHFFFAOYSA-N 1 2 362.473 3.346 20 30 FGEDLO COc1cccc(C(F)(F)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000576367438 506141314 /nfs/dbraw/zinc/14/13/14/506141314.db2.gz PBUDPROJDHLZQX-UHFFFAOYSA-N 1 2 372.419 3.312 20 30 FGEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000371247803 499302327 /nfs/dbraw/zinc/30/23/27/499302327.db2.gz QQGBEAGIKUXQFT-UHFFFAOYSA-N 1 2 368.400 3.064 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000368607139 499313126 /nfs/dbraw/zinc/31/31/26/499313126.db2.gz YBQXSQTVLJYJQQ-QAPCUYQASA-N 1 2 367.428 3.001 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000371359617 499314937 /nfs/dbraw/zinc/31/49/37/499314937.db2.gz KQPNDHVCKUKQNU-GOSISDBHSA-N 1 2 357.417 3.312 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000371359617 499314938 /nfs/dbraw/zinc/31/49/38/499314938.db2.gz KQPNDHVCKUKQNU-GOSISDBHSA-N 1 2 357.417 3.312 20 30 FGEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371620098 499348034 /nfs/dbraw/zinc/34/80/34/499348034.db2.gz GIJDNTVDXGQXJB-NHCUHLMSSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371620098 499348036 /nfs/dbraw/zinc/34/80/36/499348036.db2.gz GIJDNTVDXGQXJB-NHCUHLMSSA-N 1 2 366.440 3.050 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369119913 499367616 /nfs/dbraw/zinc/36/76/16/499367616.db2.gz NWYJUCWTSNBNPW-OAQYLSRUSA-N 1 2 350.466 3.173 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369119913 499367619 /nfs/dbraw/zinc/36/76/19/499367619.db2.gz NWYJUCWTSNBNPW-OAQYLSRUSA-N 1 2 350.466 3.173 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000369516298 499411480 /nfs/dbraw/zinc/41/14/80/499411480.db2.gz CWXWRJOBTKPQQZ-KSFYIVLOSA-N 1 2 370.412 3.187 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000369516298 499411481 /nfs/dbraw/zinc/41/14/81/499411481.db2.gz CWXWRJOBTKPQQZ-KSFYIVLOSA-N 1 2 370.412 3.187 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000378387491 499510627 /nfs/dbraw/zinc/51/06/27/499510627.db2.gz ZETYMCLYWVGBSY-OAHLLOKOSA-N 1 2 360.417 3.042 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccnc3C)C2)c(C#N)c1C ZINC000375458032 499521417 /nfs/dbraw/zinc/52/14/17/499521417.db2.gz MESYRIYCHAWAIS-HNNXBMFYSA-N 1 2 370.478 3.032 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3cccnc3C)C2)c(C#N)c1C ZINC000375458032 499521419 /nfs/dbraw/zinc/52/14/19/499521419.db2.gz MESYRIYCHAWAIS-HNNXBMFYSA-N 1 2 370.478 3.032 20 30 FGEDLO COc1ccc([C@H](NC(=O)c2ccc(C)c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000375625768 499538858 /nfs/dbraw/zinc/53/88/58/499538858.db2.gz PPWBAMJRBRDRJD-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000375758820 499552477 /nfs/dbraw/zinc/55/24/77/499552477.db2.gz AXXRVSRWVWRMSV-HNNXBMFYSA-N 1 2 372.494 3.474 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000375758820 499552478 /nfs/dbraw/zinc/55/24/78/499552478.db2.gz AXXRVSRWVWRMSV-HNNXBMFYSA-N 1 2 372.494 3.474 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3c3nccs3)C2=O)cc1 ZINC000375831873 499560328 /nfs/dbraw/zinc/56/03/28/499560328.db2.gz PBCBSFJVOOQQCE-SJORKVTESA-N 1 2 352.463 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3c3nccs3)C2=O)cc1 ZINC000375831873 499560329 /nfs/dbraw/zinc/56/03/29/499560329.db2.gz PBCBSFJVOOQQCE-SJORKVTESA-N 1 2 352.463 3.347 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)n2)c1 ZINC000409457374 499598472 /nfs/dbraw/zinc/59/84/72/499598472.db2.gz KYHNGPVALCPQFV-UHFFFAOYSA-N 1 2 354.373 3.182 20 30 FGEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1=O ZINC000410113256 499642923 /nfs/dbraw/zinc/64/29/23/499642923.db2.gz PBKMBLBJNLTCAA-SFHVURJKSA-N 1 2 365.433 3.041 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000376916664 499646274 /nfs/dbraw/zinc/64/62/74/499646274.db2.gz QOYPBXBFJRYJNS-SJORKVTESA-N 1 2 364.440 3.339 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000376916664 499646275 /nfs/dbraw/zinc/64/62/75/499646275.db2.gz QOYPBXBFJRYJNS-SJORKVTESA-N 1 2 364.440 3.339 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](CC)Cc2cc(Br)ccc2F)C1=O ZINC000410341286 499656024 /nfs/dbraw/zinc/65/60/24/499656024.db2.gz SWUGNZDTDZVLEQ-OAHLLOKOSA-N 1 2 355.251 3.197 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](CC)Cc2cc(Br)ccc2F)C1=O ZINC000410341286 499656025 /nfs/dbraw/zinc/65/60/25/499656025.db2.gz SWUGNZDTDZVLEQ-OAHLLOKOSA-N 1 2 355.251 3.197 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000411125756 499700618 /nfs/dbraw/zinc/70/06/18/499700618.db2.gz LUTVLJMGNCWBRM-IRLDBZIGSA-N 1 2 363.436 3.087 20 30 FGEDLO CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000377599765 499708696 /nfs/dbraw/zinc/70/86/96/499708696.db2.gz HXBXZXVQSROFLR-OAQYLSRUSA-N 1 2 373.460 3.257 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cs1 ZINC000377605965 499709620 /nfs/dbraw/zinc/70/96/20/499709620.db2.gz HGWCJLISWWMCAJ-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cs1 ZINC000377605965 499709621 /nfs/dbraw/zinc/70/96/21/499709621.db2.gz HGWCJLISWWMCAJ-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411716445 499782389 /nfs/dbraw/zinc/78/23/89/499782389.db2.gz FZRFPVHLBTYTAG-LJQANCHMSA-N 1 2 358.413 3.095 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411716445 499782390 /nfs/dbraw/zinc/78/23/90/499782390.db2.gz FZRFPVHLBTYTAG-LJQANCHMSA-N 1 2 358.413 3.095 20 30 FGEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000416023427 499942052 /nfs/dbraw/zinc/94/20/52/499942052.db2.gz RYTIFVWSGQINSW-FQEVSTJZSA-N 1 2 363.486 3.237 20 30 FGEDLO C=C[C@H]1CCCCN1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428986146 499973750 /nfs/dbraw/zinc/97/37/50/499973750.db2.gz MUBHQPWRAZUINB-KRWDZBQOSA-N 1 2 362.543 3.354 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000425090889 500016702 /nfs/dbraw/zinc/01/67/02/500016702.db2.gz VYEWCVWLWTUIOK-LBPRGKRZSA-N 1 2 350.344 3.302 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000425090889 500016705 /nfs/dbraw/zinc/01/67/05/500016705.db2.gz VYEWCVWLWTUIOK-LBPRGKRZSA-N 1 2 350.344 3.302 20 30 FGEDLO Cc1cc(N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425251064 500057090 /nfs/dbraw/zinc/05/70/90/500057090.db2.gz GTDQEBFIXMFPDK-FQEVSTJZSA-N 1 2 362.477 3.370 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000413836536 500071046 /nfs/dbraw/zinc/07/10/46/500071046.db2.gz PIECGCHEWIYCAO-FQEVSTJZSA-N 1 2 364.493 3.096 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574527 500085641 /nfs/dbraw/zinc/08/56/41/500085641.db2.gz GEDHWRQWSABVLD-UHFFFAOYSA-N 1 2 353.422 3.054 20 30 FGEDLO C=C(C)COc1cc(C[NH2+]C(C)(C)c2nocc2C(=O)OC)ccc1OC ZINC000425372838 500088620 /nfs/dbraw/zinc/08/86/20/500088620.db2.gz KZIMQBBVGPDYEY-UHFFFAOYSA-N 1 2 374.437 3.450 20 30 FGEDLO C[C@H](C#N)N(CC[N@@H+]1CCO[C@@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425535743 500136118 /nfs/dbraw/zinc/13/61/18/500136118.db2.gz NZXRWZIRZABIDM-CABCVRRESA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@H](C#N)N(CC[N@H+]1CCO[C@@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425535743 500136121 /nfs/dbraw/zinc/13/61/21/500136121.db2.gz NZXRWZIRZABIDM-CABCVRRESA-N 1 2 355.404 3.140 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000426734742 500312851 /nfs/dbraw/zinc/31/28/51/500312851.db2.gz BDVKVUDFIQGNLY-UHFFFAOYSA-N 1 2 374.410 3.480 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCc2c(C#N)cccc2[N+](=O)[O-])c1C(=O)OC ZINC000419023711 500336664 /nfs/dbraw/zinc/33/66/64/500336664.db2.gz DOGQKWMTGRGZQK-UHFFFAOYSA-N 1 2 369.377 3.488 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431191789 500347907 /nfs/dbraw/zinc/34/79/07/500347907.db2.gz KXNOOPXOWWWASP-HNNXBMFYSA-N 1 2 360.889 3.422 20 30 FGEDLO C=CCN1C(=O)N(Cc2cn3c(cccc3C)[nH+]2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431333935 500364757 /nfs/dbraw/zinc/36/47/57/500364757.db2.gz QQGSYVFYMIDGSF-IBGZPJMESA-N 1 2 374.444 3.204 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000432111092 500470459 /nfs/dbraw/zinc/47/04/59/500470459.db2.gz YKACONVGXJJVDW-IBGZPJMESA-N 1 2 359.514 3.270 20 30 FGEDLO C=C(C)C(C)(C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000424620399 500529759 /nfs/dbraw/zinc/52/97/59/500529759.db2.gz UXNPHXOUYASKPA-UHFFFAOYSA-N 1 2 360.889 3.234 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003511 500552140 /nfs/dbraw/zinc/55/21/40/500552140.db2.gz FGHXWHUBYLZRDQ-WBAXXEDZSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003511 500552141 /nfs/dbraw/zinc/55/21/41/500552141.db2.gz FGHXWHUBYLZRDQ-WBAXXEDZSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421003500 500552169 /nfs/dbraw/zinc/55/21/69/500552169.db2.gz FGHXWHUBYLZRDQ-OLMNPRSZSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421003500 500552170 /nfs/dbraw/zinc/55/21/70/500552170.db2.gz FGHXWHUBYLZRDQ-OLMNPRSZSA-N 1 2 372.465 3.072 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000428802643 500559571 /nfs/dbraw/zinc/55/95/71/500559571.db2.gz HHOIHSFPMPQCLF-ZDUSSCGKSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000428802643 500559572 /nfs/dbraw/zinc/55/95/72/500559572.db2.gz HHOIHSFPMPQCLF-ZDUSSCGKSA-N 1 2 358.785 3.168 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643208 500749000 /nfs/dbraw/zinc/74/90/00/500749000.db2.gz AIGXPJKFQQSMCD-CLCXKQKWSA-N 1 2 363.889 3.236 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643208 500749002 /nfs/dbraw/zinc/74/90/02/500749002.db2.gz AIGXPJKFQQSMCD-CLCXKQKWSA-N 1 2 363.889 3.236 20 30 FGEDLO N#CCCCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000588148060 506217771 /nfs/dbraw/zinc/21/77/71/506217771.db2.gz PMRSQIBEAOVMLR-UHFFFAOYSA-N 1 2 363.889 3.337 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(Cc4ccccc4)CC3)CC2)cc1 ZINC000438277448 500761820 /nfs/dbraw/zinc/76/18/20/500761820.db2.gz XQYSCMOBZHURLT-UHFFFAOYSA-N 1 2 359.473 3.225 20 30 FGEDLO C=CCOc1ccc(CC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000448820689 500843779 /nfs/dbraw/zinc/84/37/79/500843779.db2.gz CEWZPHQRQHETGN-UHFFFAOYSA-N 1 2 354.450 3.473 20 30 FGEDLO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000444639936 500871651 /nfs/dbraw/zinc/87/16/51/500871651.db2.gz ODLSPRWWAKZBFM-IQGLISFBSA-N 1 2 352.503 3.339 20 30 FGEDLO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000444639936 500871653 /nfs/dbraw/zinc/87/16/53/500871653.db2.gz ODLSPRWWAKZBFM-IQGLISFBSA-N 1 2 352.503 3.339 20 30 FGEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439277595 500878944 /nfs/dbraw/zinc/87/89/44/500878944.db2.gz SNEFCXHUAQGXLV-ZDUSSCGKSA-N 1 2 351.288 3.319 20 30 FGEDLO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000444693034 500880821 /nfs/dbraw/zinc/88/08/21/500880821.db2.gz AAKJLSOIMIRFPR-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000444693034 500880824 /nfs/dbraw/zinc/88/08/24/500880824.db2.gz AAKJLSOIMIRFPR-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cccc2nc(C3CC[NH+]([C@@H](C(N)=O)c4ccc(C#N)cc4)CC3)oc21 ZINC000444762928 500893955 /nfs/dbraw/zinc/89/39/55/500893955.db2.gz BQMXOMPEPYSEDO-LJQANCHMSA-N 1 2 374.444 3.414 20 30 FGEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438328 500897098 /nfs/dbraw/zinc/89/70/98/500897098.db2.gz CNUIGDJVASCTGX-SJORKVTESA-N 1 2 367.367 3.007 20 30 FGEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438328 500897101 /nfs/dbraw/zinc/89/71/01/500897101.db2.gz CNUIGDJVASCTGX-SJORKVTESA-N 1 2 367.367 3.007 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000434977794 500918359 /nfs/dbraw/zinc/91/83/59/500918359.db2.gz JRBVINLJQSIKKP-VMLCMGRWSA-N 1 2 362.433 3.490 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000434977788 500918368 /nfs/dbraw/zinc/91/83/68/500918368.db2.gz JRBVINLJQSIKKP-ISPXXFMDSA-N 1 2 362.433 3.490 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccncc2)n1 ZINC000435138912 500937801 /nfs/dbraw/zinc/93/78/01/500937801.db2.gz UQGZJRQZURDJJC-LJQANCHMSA-N 1 2 363.421 3.025 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(-c2ccncc2)n1 ZINC000435138912 500937804 /nfs/dbraw/zinc/93/78/04/500937804.db2.gz UQGZJRQZURDJJC-LJQANCHMSA-N 1 2 363.421 3.025 20 30 FGEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000611606560 506226838 /nfs/dbraw/zinc/22/68/38/506226838.db2.gz DZNLKJREVLBSCB-KRWDZBQOSA-N 1 2 360.454 3.295 20 30 FGEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000611606560 506226845 /nfs/dbraw/zinc/22/68/45/506226845.db2.gz DZNLKJREVLBSCB-KRWDZBQOSA-N 1 2 360.454 3.295 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCc1noc(COc2ccc(C#N)cc2)n1 ZINC000445382644 500979115 /nfs/dbraw/zinc/97/91/15/500979115.db2.gz BGIMHQIBJVIDAQ-UHFFFAOYSA-N 1 2 359.389 3.421 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000602595791 506227858 /nfs/dbraw/zinc/22/78/58/506227858.db2.gz YWUSKZOWAPICHH-YESZJQIVSA-N 1 2 358.486 3.206 20 30 FGEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)CO ZINC000449444000 501004726 /nfs/dbraw/zinc/00/47/26/501004726.db2.gz XOPBFBGDLWVTMR-HNNXBMFYSA-N 1 2 366.387 3.160 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1OCCCC#N ZINC000449569531 501035125 /nfs/dbraw/zinc/03/51/25/501035125.db2.gz CGQYZGMCRKGFRO-RUZDIDTESA-N 1 2 364.511 3.111 20 30 FGEDLO COc1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1OCCCC#N ZINC000449569531 501035127 /nfs/dbraw/zinc/03/51/27/501035127.db2.gz CGQYZGMCRKGFRO-RUZDIDTESA-N 1 2 364.511 3.111 20 30 FGEDLO CC(C)(C#N)CCCCS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000436100552 501070244 /nfs/dbraw/zinc/07/02/44/501070244.db2.gz NFEGRZCPEOWPHV-UHFFFAOYSA-N 1 2 351.394 3.080 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1Cl ZINC000446079477 501070653 /nfs/dbraw/zinc/07/06/53/501070653.db2.gz PLDCINPVPLXBOB-JYJNAYRXSA-N 1 2 363.889 3.393 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1Cl ZINC000446079477 501070657 /nfs/dbraw/zinc/07/06/57/501070657.db2.gz PLDCINPVPLXBOB-JYJNAYRXSA-N 1 2 363.889 3.393 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1Cl ZINC000446079478 501071165 /nfs/dbraw/zinc/07/11/65/501071165.db2.gz PLDCINPVPLXBOB-XHSDSOJGSA-N 1 2 363.889 3.393 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1Cl ZINC000446079478 501071168 /nfs/dbraw/zinc/07/11/68/501071168.db2.gz PLDCINPVPLXBOB-XHSDSOJGSA-N 1 2 363.889 3.393 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450411946 501115403 /nfs/dbraw/zinc/11/54/03/501115403.db2.gz YJSIQQJFDPFFET-NKGKWGDASA-N 1 2 366.864 3.322 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450411946 501115404 /nfs/dbraw/zinc/11/54/04/501115404.db2.gz YJSIQQJFDPFFET-NKGKWGDASA-N 1 2 366.864 3.322 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc3ncccc3cc2C#N)cc1 ZINC000596063905 506236056 /nfs/dbraw/zinc/23/60/56/506236056.db2.gz PAEQRKSRRYQJPT-HXUWFJFHSA-N 1 2 373.460 3.295 20 30 FGEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000450322056 501233676 /nfs/dbraw/zinc/23/36/76/501233676.db2.gz WWZWWIHXPUHGMZ-FZKQIMNGSA-N 1 2 366.292 3.230 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457679285 501285313 /nfs/dbraw/zinc/28/53/13/501285313.db2.gz DRWURTNPMXIMIH-DQEVTTJGSA-N 1 2 364.436 3.198 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457679285 501285315 /nfs/dbraw/zinc/28/53/15/501285315.db2.gz DRWURTNPMXIMIH-DQEVTTJGSA-N 1 2 364.436 3.198 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000602649453 506245213 /nfs/dbraw/zinc/24/52/13/506245213.db2.gz IMZIUZDITWQKAJ-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000602649453 506245221 /nfs/dbraw/zinc/24/52/21/506245221.db2.gz IMZIUZDITWQKAJ-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000455760153 501380844 /nfs/dbraw/zinc/38/08/44/501380844.db2.gz SZDYWUPPRXILQA-UHFFFAOYSA-N 1 2 361.858 3.018 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906841 501398147 /nfs/dbraw/zinc/39/81/47/501398147.db2.gz LXYDCMPSQCIQRG-WBMJQRKESA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906841 501398149 /nfs/dbraw/zinc/39/81/49/501398149.db2.gz LXYDCMPSQCIQRG-WBMJQRKESA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906838 501398164 /nfs/dbraw/zinc/39/81/64/501398164.db2.gz LXYDCMPSQCIQRG-BLLLJJGKSA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906838 501398167 /nfs/dbraw/zinc/39/81/67/501398167.db2.gz LXYDCMPSQCIQRG-BLLLJJGKSA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000458769748 501527809 /nfs/dbraw/zinc/52/78/09/501527809.db2.gz NDFGLQGZQOZEHX-HNNXBMFYSA-N 1 2 356.470 3.060 20 30 FGEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000454434633 501544464 /nfs/dbraw/zinc/54/44/64/501544464.db2.gz OCYUWPUAFDVTTF-UHFFFAOYSA-N 1 2 367.331 3.037 20 30 FGEDLO C=CC(C)(C)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000458987336 501571667 /nfs/dbraw/zinc/57/16/67/501571667.db2.gz LYCWWDPKVRDGAS-SFHVURJKSA-N 1 2 359.514 3.131 20 30 FGEDLO C=CCC1(CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCCC1 ZINC000454929315 501657352 /nfs/dbraw/zinc/65/73/52/501657352.db2.gz QMPAIFOCGIYZAK-QGZVFWFLSA-N 1 2 360.502 3.324 20 30 FGEDLO Cc1nsc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C#N ZINC000459575123 501679629 /nfs/dbraw/zinc/67/96/29/501679629.db2.gz ZHASCZFOXRAADO-CYBMUJFWSA-N 1 2 370.482 3.268 20 30 FGEDLO CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1[nH]cc[nH+]1 ZINC000470699369 501772573 /nfs/dbraw/zinc/77/25/73/501772573.db2.gz PGXQRVSHWSQFDE-HNNXBMFYSA-N 1 2 350.378 3.334 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000474525003 501866664 /nfs/dbraw/zinc/86/66/64/501866664.db2.gz GXTHKDJWRSWRBT-UPHRSURJSA-N 1 2 363.436 3.445 20 30 FGEDLO N#CCCN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000602747624 506283941 /nfs/dbraw/zinc/28/39/41/506283941.db2.gz FCNYJOVECVPPJA-UHFFFAOYSA-N 1 2 352.265 3.300 20 30 FGEDLO CCOC(=O)c1cnn(CCCCCn2c(C)[nH+]c3ccccc32)c1C#N ZINC000460883906 501948720 /nfs/dbraw/zinc/94/87/20/501948720.db2.gz WBACSNYLYLFCRI-UHFFFAOYSA-N 1 2 365.437 3.460 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000471206899 501956034 /nfs/dbraw/zinc/95/60/34/501956034.db2.gz IECRJAJPFSPLIQ-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000471206899 501956037 /nfs/dbraw/zinc/95/60/37/501956037.db2.gz IECRJAJPFSPLIQ-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000486433195 502152509 /nfs/dbraw/zinc/15/25/09/502152509.db2.gz VJANZAXCQDGTLI-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483110976 502276204 /nfs/dbraw/zinc/27/62/04/502276204.db2.gz ZOUMJULUNJUAEO-OAHLLOKOSA-N 1 2 354.303 3.419 20 30 FGEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(C#N)cc1Br ZINC000480647023 502631695 /nfs/dbraw/zinc/63/16/95/502631695.db2.gz BTMSKMGJBOWLGZ-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(C#N)cc1Br ZINC000480647023 502631699 /nfs/dbraw/zinc/63/16/99/502631699.db2.gz BTMSKMGJBOWLGZ-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000488140817 502637486 /nfs/dbraw/zinc/63/74/86/502637486.db2.gz FMECIGPJYJMYFE-UHFFFAOYSA-N 1 2 351.360 3.106 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466827668 502697020 /nfs/dbraw/zinc/69/70/20/502697020.db2.gz VFHNWEKXLJWZSG-MRXNPFEDSA-N 1 2 368.506 3.251 20 30 FGEDLO COCC1(C#N)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463198160 502718086 /nfs/dbraw/zinc/71/80/86/502718086.db2.gz UQPMYVGOMREURR-UHFFFAOYSA-N 1 2 364.243 3.342 20 30 FGEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c[nH]1 ZINC000485050056 502810178 /nfs/dbraw/zinc/81/01/78/502810178.db2.gz UXMSHKJLLYJHTR-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c[nH]1 ZINC000485050056 502810181 /nfs/dbraw/zinc/81/01/81/502810181.db2.gz UXMSHKJLLYJHTR-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000488846030 502823891 /nfs/dbraw/zinc/82/38/91/502823891.db2.gz ZWTYRNJRCWLGRK-KRWDZBQOSA-N 1 2 353.466 3.202 20 30 FGEDLO C=CCCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000505057176 502846081 /nfs/dbraw/zinc/84/60/81/502846081.db2.gz HGZKFTJBXBIZNY-UHFFFAOYSA-N 1 2 366.465 3.359 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505884185 503005429 /nfs/dbraw/zinc/00/54/29/503005429.db2.gz GKTVEOYTFUWWBB-YLJYHZDGSA-N 1 2 350.418 3.173 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505884185 503005430 /nfs/dbraw/zinc/00/54/30/503005430.db2.gz GKTVEOYTFUWWBB-YLJYHZDGSA-N 1 2 350.418 3.173 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000489698594 503014098 /nfs/dbraw/zinc/01/40/98/503014098.db2.gz UJFWKTNPJNHTRB-ROUUACIJSA-N 1 2 372.481 3.374 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000489698594 503014100 /nfs/dbraw/zinc/01/41/00/503014100.db2.gz UJFWKTNPJNHTRB-ROUUACIJSA-N 1 2 372.481 3.374 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000509942233 503016253 /nfs/dbraw/zinc/01/62/53/503016253.db2.gz GZJWFYZPTKIPIH-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912141 506348531 /nfs/dbraw/zinc/34/85/31/506348531.db2.gz KTZBNKPLKYIMJR-CYBMUJFWSA-N 1 2 370.403 3.438 20 30 FGEDLO C[C@H]1CCc2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000506084331 503043845 /nfs/dbraw/zinc/04/38/45/503043845.db2.gz BMWYAZZEXQFSKG-INIZCTEOSA-N 1 2 366.534 3.457 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000510608551 503154625 /nfs/dbraw/zinc/15/46/25/503154625.db2.gz LYSTYMUBTLUKRP-MRXNPFEDSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000510608551 503154627 /nfs/dbraw/zinc/15/46/27/503154627.db2.gz LYSTYMUBTLUKRP-MRXNPFEDSA-N 1 2 352.434 3.367 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC#Cc1cccc(F)c1 ZINC000510835451 503201059 /nfs/dbraw/zinc/20/10/59/503201059.db2.gz FSFHTHKYAVIWMB-UHFFFAOYSA-N 1 2 364.424 3.225 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000510871990 503207504 /nfs/dbraw/zinc/20/75/04/503207504.db2.gz JOKPETZVONEHHQ-CQSZACIVSA-N 1 2 355.335 3.138 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1Cl ZINC000502520530 503216982 /nfs/dbraw/zinc/21/69/82/503216982.db2.gz QSFLDSSSAAYUQD-UHFFFAOYSA-N 1 2 365.824 3.415 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C(F)(F)F)c(C#N)n1)C1CCOCC1 ZINC000490848355 503236521 /nfs/dbraw/zinc/23/65/21/503236521.db2.gz WBEBSBDYBGFWBZ-HNNXBMFYSA-N 1 2 365.359 3.285 20 30 FGEDLO C[N@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000514971541 503238579 /nfs/dbraw/zinc/23/85/79/503238579.db2.gz DVHSCDNMJKLBCL-UHFFFAOYSA-N 1 2 369.231 3.251 20 30 FGEDLO C[N@@H+](Cc1ncc(I)s1)Cc1ccc(C#N)cc1 ZINC000514971541 503238582 /nfs/dbraw/zinc/23/85/82/503238582.db2.gz DVHSCDNMJKLBCL-UHFFFAOYSA-N 1 2 369.231 3.251 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507294664 503271676 /nfs/dbraw/zinc/27/16/76/503271676.db2.gz DWZBWBJAMGWBJG-OAHLLOKOSA-N 1 2 368.868 3.361 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507397350 503293607 /nfs/dbraw/zinc/29/36/07/503293607.db2.gz BFTLPUKEFGCBCR-UHFFFAOYSA-N 1 2 367.840 3.089 20 30 FGEDLO CC(C)O[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055781 506363433 /nfs/dbraw/zinc/36/34/33/506363433.db2.gz PBJOXDMOVJSMPY-UONOGXRCSA-N 1 2 361.511 3.325 20 30 FGEDLO CC(C)O[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055781 506363437 /nfs/dbraw/zinc/36/34/37/506363437.db2.gz PBJOXDMOVJSMPY-UONOGXRCSA-N 1 2 361.511 3.325 20 30 FGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000502920879 503308267 /nfs/dbraw/zinc/30/82/67/503308267.db2.gz UIJVOECJAAJCPD-OAQYLSRUSA-N 1 2 351.425 3.054 20 30 FGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000502920879 503308270 /nfs/dbraw/zinc/30/82/70/503308270.db2.gz UIJVOECJAAJCPD-OAQYLSRUSA-N 1 2 351.425 3.054 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000507871880 503385030 /nfs/dbraw/zinc/38/50/30/503385030.db2.gz HCZQFBLIHALQGJ-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000511871777 503404375 /nfs/dbraw/zinc/40/43/75/503404375.db2.gz HDWHKIBOXRDLMY-UHFFFAOYSA-N 1 2 363.352 3.354 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)oc2C)[C@@H](C)C1 ZINC000508281747 503467483 /nfs/dbraw/zinc/46/74/83/503467483.db2.gz AUHNDAGVDIBLDY-HNNXBMFYSA-N 1 2 367.449 3.205 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)oc2C)[C@@H](C)C1 ZINC000508281747 503467484 /nfs/dbraw/zinc/46/74/84/503467484.db2.gz AUHNDAGVDIBLDY-HNNXBMFYSA-N 1 2 367.449 3.205 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000508328956 503476289 /nfs/dbraw/zinc/47/62/89/503476289.db2.gz AWKKSNQABANFHJ-KRWDZBQOSA-N 1 2 363.461 3.303 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000508328956 503476294 /nfs/dbraw/zinc/47/62/94/503476294.db2.gz AWKKSNQABANFHJ-KRWDZBQOSA-N 1 2 363.461 3.303 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000512179706 503478325 /nfs/dbraw/zinc/47/83/25/503478325.db2.gz MOXZQPWTCBFVQB-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000512179706 503478329 /nfs/dbraw/zinc/47/83/29/503478329.db2.gz MOXZQPWTCBFVQB-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000512181109 503478616 /nfs/dbraw/zinc/47/86/16/503478616.db2.gz OZUZOBFQCVYYIY-OAHLLOKOSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000512181109 503478620 /nfs/dbraw/zinc/47/86/20/503478620.db2.gz OZUZOBFQCVYYIY-OAHLLOKOSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000512183588 503479707 /nfs/dbraw/zinc/47/97/07/503479707.db2.gz UZDOOGPLTQHSFJ-KRWDZBQOSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000512183588 503479710 /nfs/dbraw/zinc/47/97/10/503479710.db2.gz UZDOOGPLTQHSFJ-KRWDZBQOSA-N 1 2 356.466 3.163 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943876 503517949 /nfs/dbraw/zinc/51/79/49/503517949.db2.gz HZGAGYXJNXUDMB-FZMZJTMJSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943876 503517954 /nfs/dbraw/zinc/51/79/54/503517954.db2.gz HZGAGYXJNXUDMB-FZMZJTMJSA-N 1 2 370.280 3.039 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279378 503518639 /nfs/dbraw/zinc/51/86/39/503518639.db2.gz JZAPMOAUAFDSQT-LBPRGKRZSA-N 1 2 370.266 3.028 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494279378 503518644 /nfs/dbraw/zinc/51/86/44/503518644.db2.gz JZAPMOAUAFDSQT-LBPRGKRZSA-N 1 2 370.266 3.028 20 30 FGEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508740605 503555530 /nfs/dbraw/zinc/55/55/30/503555530.db2.gz QTLNAAACLYVOOM-OAHLLOKOSA-N 1 2 360.531 3.002 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(CC#N)cc1 ZINC000516764519 503582047 /nfs/dbraw/zinc/58/20/47/503582047.db2.gz CFTHYTLMJMTQJQ-UHFFFAOYSA-N 1 2 353.470 3.133 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cccc(F)c4)CC3)o2)cc1 ZINC000603017948 506383211 /nfs/dbraw/zinc/38/32/11/506383211.db2.gz ZCEJCGBPKSDWHJ-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000533239986 503773019 /nfs/dbraw/zinc/77/30/19/503773019.db2.gz VUDIADJZPXUWSU-UHFFFAOYSA-N 1 2 358.423 3.331 20 30 FGEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1nnc2ccccn21 ZINC000543704712 503858791 /nfs/dbraw/zinc/85/87/91/503858791.db2.gz XQTDZBLXYTYHRM-GOSISDBHSA-N 1 2 373.420 3.138 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533524144 503874476 /nfs/dbraw/zinc/87/44/76/503874476.db2.gz DMTNPJLNVADFQH-APWZRJJASA-N 1 2 367.497 3.108 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533524144 503874480 /nfs/dbraw/zinc/87/44/80/503874480.db2.gz DMTNPJLNVADFQH-APWZRJJASA-N 1 2 367.497 3.108 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000533606520 503901874 /nfs/dbraw/zinc/90/18/74/503901874.db2.gz CETATRJFDUQXDQ-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000533606520 503901875 /nfs/dbraw/zinc/90/18/75/503901875.db2.gz CETATRJFDUQXDQ-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681905 503920649 /nfs/dbraw/zinc/92/06/49/503920649.db2.gz HZEKQLZLOCOCGI-QUCCMNQESA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681905 503920654 /nfs/dbraw/zinc/92/06/54/503920654.db2.gz HZEKQLZLOCOCGI-QUCCMNQESA-N 1 2 371.843 3.455 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)n1 ZINC000546965666 503941193 /nfs/dbraw/zinc/94/11/93/503941193.db2.gz RVPAGYXUULEKMR-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CCN1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375366 503942293 /nfs/dbraw/zinc/94/22/93/503942293.db2.gz OTXQCPPZPOLGMK-KRWDZBQOSA-N 1 2 364.497 3.173 20 30 FGEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)Nc1cc(C)nn1CCC#N ZINC000537642378 503989579 /nfs/dbraw/zinc/98/95/79/503989579.db2.gz UCCQEIRILIEXJC-UHFFFAOYSA-N 1 2 364.453 3.436 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c(Cl)c1 ZINC000518623206 504029360 /nfs/dbraw/zinc/02/93/60/504029360.db2.gz YSSQIVJHYCIUCC-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000544328773 504090092 /nfs/dbraw/zinc/09/00/92/504090092.db2.gz QSQASCHGIZCFDD-QGZVFWFLSA-N 1 2 350.413 3.047 20 30 FGEDLO CCCCCC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000534432192 504140576 /nfs/dbraw/zinc/14/05/76/504140576.db2.gz VVQWODOOZSLFKT-UHFFFAOYSA-N 1 2 371.481 3.006 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000544520519 504160590 /nfs/dbraw/zinc/16/05/90/504160590.db2.gz ZLDBZTCXGWKLFD-HUUCEWRRSA-N 1 2 372.444 3.424 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547951673 504270706 /nfs/dbraw/zinc/27/07/06/504270706.db2.gz IMFBTZMZTPXSJU-KRWDZBQOSA-N 1 2 350.809 3.465 20 30 FGEDLO COc1cc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)n1 ZINC000541923200 504303176 /nfs/dbraw/zinc/30/31/76/504303176.db2.gz KARJFYKIMPYXCS-FQEVSTJZSA-N 1 2 350.466 3.090 20 30 FGEDLO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C2CC2)cn1 ZINC000528852103 504416443 /nfs/dbraw/zinc/41/64/43/504416443.db2.gz ZIFVPFYIDUOTAA-IBGZPJMESA-N 1 2 361.405 3.253 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000545277576 504427207 /nfs/dbraw/zinc/42/72/07/504427207.db2.gz AIEDKJXHRXQEAS-FQEVSTJZSA-N 1 2 359.420 3.252 20 30 FGEDLO Cc1c(Cl)cnc(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)c1C#N ZINC000542282513 504438384 /nfs/dbraw/zinc/43/83/84/504438384.db2.gz WGSMCAGIRWFPNP-LJQANCHMSA-N 1 2 369.900 3.316 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000531988533 504495863 /nfs/dbraw/zinc/49/58/63/504495863.db2.gz VKBZFMGSLCJUQO-CQSZACIVSA-N 1 2 364.314 3.295 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1F ZINC000539248284 504511763 /nfs/dbraw/zinc/51/17/63/504511763.db2.gz MKPBKHDBXXIUIS-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO COCc1ccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1C#N ZINC000529210270 504585593 /nfs/dbraw/zinc/58/55/93/504585593.db2.gz JRRIXCQPUHUDDK-UHFFFAOYSA-N 1 2 363.421 3.185 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542817302 504623188 /nfs/dbraw/zinc/62/31/88/504623188.db2.gz BHEAYNOAHBODBH-JKSUJKDBSA-N 1 2 371.909 3.443 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542817302 504623191 /nfs/dbraw/zinc/62/31/91/504623191.db2.gz BHEAYNOAHBODBH-JKSUJKDBSA-N 1 2 371.909 3.443 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N3CCC(C#N)CC3)ccc2n1C1CC1 ZINC000548998016 504649334 /nfs/dbraw/zinc/64/93/34/504649334.db2.gz JOMDLRJMGAGYQF-UHFFFAOYSA-N 1 2 351.454 3.379 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2[nH]cc[nH+]2)cc1C ZINC000521136799 504657918 /nfs/dbraw/zinc/65/79/18/504657918.db2.gz SUDOEONESZEORO-UHFFFAOYSA-N 1 2 362.437 3.076 20 30 FGEDLO Cc1cc(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)n(CCC#N)n1 ZINC000539842896 504715201 /nfs/dbraw/zinc/71/52/01/504715201.db2.gz LWUHOAQUUFJJDY-UHFFFAOYSA-N 1 2 362.437 3.361 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549179189 504715178 /nfs/dbraw/zinc/71/51/78/504715178.db2.gz WCERUEMQRFKPPD-KRWDZBQOSA-N 1 2 371.378 3.338 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549179189 504715182 /nfs/dbraw/zinc/71/51/82/504715182.db2.gz WCERUEMQRFKPPD-KRWDZBQOSA-N 1 2 371.378 3.338 20 30 FGEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1C#N ZINC000543136847 504738399 /nfs/dbraw/zinc/73/83/99/504738399.db2.gz YKCGVBCQKWWIRN-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)c1 ZINC000553033972 504809967 /nfs/dbraw/zinc/80/99/67/504809967.db2.gz NEIFETFLYSITOW-CQSZACIVSA-N 1 2 356.857 3.498 20 30 FGEDLO Cc1ccc(NC(=O)C(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000556624956 504925202 /nfs/dbraw/zinc/92/52/02/504925202.db2.gz RMFWKMPUYUQBCM-SFHVURJKSA-N 1 2 350.422 3.188 20 30 FGEDLO CC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000553494241 504930971 /nfs/dbraw/zinc/93/09/71/504930971.db2.gz LOKBOTLPJLHXHS-NVXWUHKLSA-N 1 2 361.371 3.321 20 30 FGEDLO CC[N@H+]1CC[C@@H](Nc2nc(C)cc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000553494241 504930974 /nfs/dbraw/zinc/93/09/74/504930974.db2.gz LOKBOTLPJLHXHS-NVXWUHKLSA-N 1 2 361.371 3.321 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000551014572 505143351 /nfs/dbraw/zinc/14/33/51/505143351.db2.gz WELUMFZAGGPXBF-INIZCTEOSA-N 1 2 355.492 3.350 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000554368460 505156860 /nfs/dbraw/zinc/15/68/60/505156860.db2.gz VBNSBINTIVTPEM-UHFFFAOYSA-N 1 2 363.373 3.064 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000566428289 505173526 /nfs/dbraw/zinc/17/35/26/505173526.db2.gz DCIWBJZWAYHYDB-GOSISDBHSA-N 1 2 363.465 3.245 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc(Cl)c3)CC1)CCOC2 ZINC000566543289 505200014 /nfs/dbraw/zinc/20/00/14/505200014.db2.gz HRUWFKLOXGPLAS-UHFFFAOYSA-N 1 2 368.868 3.002 20 30 FGEDLO Cc1c[nH]c(C(C)(C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)[nH+]1 ZINC000563816464 505246888 /nfs/dbraw/zinc/24/68/88/505246888.db2.gz JJODHSSGARSMEI-UHFFFAOYSA-N 1 2 357.483 3.054 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000561241344 505290673 /nfs/dbraw/zinc/29/06/73/505290673.db2.gz ROGUJTXKVMMQEO-FQEVSTJZSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000561241344 505290679 /nfs/dbraw/zinc/29/06/79/505290679.db2.gz ROGUJTXKVMMQEO-FQEVSTJZSA-N 1 2 374.529 3.012 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3ccnc(C#N)c3)[nH+]c12 ZINC000561269728 505300322 /nfs/dbraw/zinc/30/03/22/505300322.db2.gz UIIYMBXTFQUUGS-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000558088414 505305240 /nfs/dbraw/zinc/30/52/40/505305240.db2.gz QRMBUGQMHQOTFO-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000564054862 505312823 /nfs/dbraw/zinc/31/28/23/505312823.db2.gz TXERUYQGHQZKIE-QWRGUYRKSA-N 1 2 373.482 3.115 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000552029994 505374618 /nfs/dbraw/zinc/37/46/18/505374618.db2.gz BVEJNXOFZKKUKR-SFHVURJKSA-N 1 2 365.433 3.049 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000552029994 505374620 /nfs/dbraw/zinc/37/46/20/505374620.db2.gz BVEJNXOFZKKUKR-SFHVURJKSA-N 1 2 365.433 3.049 20 30 FGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc4c(cc2C#N)CCC4)C3)cc1 ZINC000567302387 505422670 /nfs/dbraw/zinc/42/26/70/505422670.db2.gz YJEGKVXQGJYEAK-UHFFFAOYSA-N 1 2 355.445 3.499 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000555525464 505446682 /nfs/dbraw/zinc/44/66/82/505446682.db2.gz ZLXMNQMQYYHIDO-INIZCTEOSA-N 1 2 366.440 3.041 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cscc3C(F)(F)F)CC2)c1C#N ZINC000562211765 505540821 /nfs/dbraw/zinc/54/08/21/505540821.db2.gz FLBKSUYZBMXCOD-UHFFFAOYSA-N 1 2 369.416 3.003 20 30 FGEDLO Cc1c(COc2ccccc2)cccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000567701776 505542161 /nfs/dbraw/zinc/54/21/61/505542161.db2.gz KPIGSMIIRWFAEY-LJQANCHMSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1c(COc2ccccc2)cccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000567701776 505542166 /nfs/dbraw/zinc/54/21/66/505542166.db2.gz KPIGSMIIRWFAEY-LJQANCHMSA-N 1 2 353.466 3.192 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000593107164 506396167 /nfs/dbraw/zinc/39/61/67/506396167.db2.gz UFUYMEAKMXZFDU-QXAKKESOSA-N 1 2 358.482 3.324 20 30 FGEDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000588972419 506400430 /nfs/dbraw/zinc/40/04/30/506400430.db2.gz IVLHNXQBAGAWCT-FQEVSTJZSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000588972419 506400436 /nfs/dbraw/zinc/40/04/36/506400436.db2.gz IVLHNXQBAGAWCT-FQEVSTJZSA-N 1 2 372.490 3.424 20 30 FGEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccc(F)cc21 ZINC000593117648 506403901 /nfs/dbraw/zinc/40/39/01/506403901.db2.gz QTTYTJDJCWDDGT-HNNXBMFYSA-N 1 2 372.465 3.133 20 30 FGEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccc(F)cc21 ZINC000593117648 506403906 /nfs/dbraw/zinc/40/39/06/506403906.db2.gz QTTYTJDJCWDDGT-HNNXBMFYSA-N 1 2 372.465 3.133 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603122694 506428481 /nfs/dbraw/zinc/42/84/81/506428481.db2.gz UNYXTUAXAFZMRZ-QGZVFWFLSA-N 1 2 374.448 3.038 20 30 FGEDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582809446 506430272 /nfs/dbraw/zinc/43/02/72/506430272.db2.gz VJZFUFKMHQFCRX-CYBMUJFWSA-N 1 2 363.870 3.073 20 30 FGEDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582809446 506430279 /nfs/dbraw/zinc/43/02/79/506430279.db2.gz VJZFUFKMHQFCRX-CYBMUJFWSA-N 1 2 363.870 3.073 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612094491 506432140 /nfs/dbraw/zinc/43/21/40/506432140.db2.gz CHHALCYFUAEFEA-UHFFFAOYSA-N 1 2 358.392 3.067 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(O)cc(C#N)c2)c(C)c1 ZINC000589193974 506477820 /nfs/dbraw/zinc/47/78/20/506477820.db2.gz NFIVDWDZIAIGOZ-FQEVSTJZSA-N 1 2 360.417 3.249 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCCCC1 ZINC000599515387 506482312 /nfs/dbraw/zinc/48/23/12/506482312.db2.gz QKJDYBDXCRGKJV-INIZCTEOSA-N 1 2 361.436 3.487 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCCCC1 ZINC000599515387 506482317 /nfs/dbraw/zinc/48/23/17/506482317.db2.gz QKJDYBDXCRGKJV-INIZCTEOSA-N 1 2 361.436 3.487 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1F ZINC000593301525 506524033 /nfs/dbraw/zinc/52/40/33/506524033.db2.gz DVAWJRZQRMOVRD-INIZCTEOSA-N 1 2 355.417 3.032 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599613413 506530165 /nfs/dbraw/zinc/53/01/65/506530165.db2.gz GVGDMSCUQXSSNU-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599613413 506530169 /nfs/dbraw/zinc/53/01/69/506530169.db2.gz GVGDMSCUQXSSNU-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612375504 506550882 /nfs/dbraw/zinc/55/08/82/506550882.db2.gz WARMBRBMCNBUHV-XLIONFOSSA-N 1 2 351.454 3.039 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000596725625 506562321 /nfs/dbraw/zinc/56/23/21/506562321.db2.gz CLRHSCPTYYGHBV-SJORKVTESA-N 1 2 356.470 3.237 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000612406857 506566797 /nfs/dbraw/zinc/56/67/97/506566797.db2.gz VOLQZHXNQJDXGV-IIBYNOLFSA-N 1 2 373.497 3.066 20 30 FGEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000612406857 506566805 /nfs/dbraw/zinc/56/68/05/506566805.db2.gz VOLQZHXNQJDXGV-IIBYNOLFSA-N 1 2 373.497 3.066 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678304 506574026 /nfs/dbraw/zinc/57/40/26/506574026.db2.gz SHRYPEWUDIVKPY-CYBMUJFWSA-N 1 2 354.841 3.186 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678304 506574028 /nfs/dbraw/zinc/57/40/28/506574028.db2.gz SHRYPEWUDIVKPY-CYBMUJFWSA-N 1 2 354.841 3.186 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678021 506574071 /nfs/dbraw/zinc/57/40/71/506574071.db2.gz HMMDMTMUVGXABD-XLIONFOSSA-N 1 2 368.408 3.410 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678021 506574076 /nfs/dbraw/zinc/57/40/76/506574076.db2.gz HMMDMTMUVGXABD-XLIONFOSSA-N 1 2 368.408 3.410 20 30 FGEDLO COc1ccc(-c2noc(C[N@@H+]3CCc4c(CC#N)cccc4C3)n2)cc1 ZINC000599685208 506581071 /nfs/dbraw/zinc/58/10/71/506581071.db2.gz ADIWEXIHRUHWIO-UHFFFAOYSA-N 1 2 360.417 3.370 20 30 FGEDLO COc1ccc(-c2noc(C[N@H+]3CCc4c(CC#N)cccc4C3)n2)cc1 ZINC000599685208 506581073 /nfs/dbraw/zinc/58/10/73/506581073.db2.gz ADIWEXIHRUHWIO-UHFFFAOYSA-N 1 2 360.417 3.370 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCCCn3cc[nH+]c3)s2)cc1 ZINC000603649942 506587477 /nfs/dbraw/zinc/58/74/77/506587477.db2.gz JSEWAKNRWHLMRO-UHFFFAOYSA-N 1 2 366.450 3.014 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603689502 506596619 /nfs/dbraw/zinc/59/66/19/506596619.db2.gz NNANYDXPGICYLK-CQSZACIVSA-N 1 2 362.393 3.152 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000603745863 506609483 /nfs/dbraw/zinc/60/94/83/506609483.db2.gz USNPKDSTYLVERX-FUHIMQAGSA-N 1 2 354.498 3.210 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000589820890 506654038 /nfs/dbraw/zinc/65/40/38/506654038.db2.gz HSZLEONHQNOJBK-KRWDZBQOSA-N 1 2 361.779 3.385 20 30 FGEDLO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)cc1C#N ZINC000599820003 506656451 /nfs/dbraw/zinc/65/64/51/506656451.db2.gz PWRLVPPFSMLMKD-UHFFFAOYSA-N 1 2 369.400 3.023 20 30 FGEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)cc1C#N ZINC000599819946 506656698 /nfs/dbraw/zinc/65/66/98/506656698.db2.gz NTMSRDGCASARRR-UHFFFAOYSA-N 1 2 374.441 3.117 20 30 FGEDLO N#CC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000593654733 506716404 /nfs/dbraw/zinc/71/64/04/506716404.db2.gz LZYGOETVWLBVNO-UHFFFAOYSA-N 1 2 360.259 3.203 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2ccoc2)cc1 ZINC000608833384 506722356 /nfs/dbraw/zinc/72/23/56/506722356.db2.gz UQMJUCNQIJNXQG-UHFFFAOYSA-N 1 2 355.438 3.447 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2ccoc2)cc1 ZINC000608833384 506722361 /nfs/dbraw/zinc/72/23/61/506722361.db2.gz UQMJUCNQIJNXQG-UHFFFAOYSA-N 1 2 355.438 3.447 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608841725 506723308 /nfs/dbraw/zinc/72/33/08/506723308.db2.gz QYOGVRXSDKECHT-UHFFFAOYSA-N 1 2 369.494 3.104 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1Cl ZINC000583419610 506769126 /nfs/dbraw/zinc/76/91/26/506769126.db2.gz XXGXUYJDTZVQMZ-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1Cl ZINC000583419610 506769131 /nfs/dbraw/zinc/76/91/31/506769131.db2.gz XXGXUYJDTZVQMZ-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO C[N@@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000590580381 506868227 /nfs/dbraw/zinc/86/82/27/506868227.db2.gz CADJBCPJUMNMNJ-DGCLKSJQSA-N 1 2 354.813 3.226 20 30 FGEDLO C[N@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000590580381 506868234 /nfs/dbraw/zinc/86/82/34/506868234.db2.gz CADJBCPJUMNMNJ-DGCLKSJQSA-N 1 2 354.813 3.226 20 30 FGEDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN([C@H](C#N)C(C)C)CC3)o2)cc1 ZINC000609485516 506896128 /nfs/dbraw/zinc/89/61/28/506896128.db2.gz RTNHULFMZAYDLF-SJLPKXTDSA-N 1 2 353.470 3.272 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2n[nH]cc21 ZINC000609494288 506899759 /nfs/dbraw/zinc/89/97/59/506899759.db2.gz DAVGNNVIPILCKD-UHFFFAOYSA-N 1 2 374.448 3.093 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)nc1 ZINC000609518206 506907216 /nfs/dbraw/zinc/90/72/16/506907216.db2.gz LPPDHPYEPOGHCR-SFHVURJKSA-N 1 2 373.416 3.419 20 30 FGEDLO COc1ccc(-c2cc(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)on2)cc1 ZINC000609538151 506912812 /nfs/dbraw/zinc/91/28/12/506912812.db2.gz MOJIPBFAAPKJAQ-HXUWFJFHSA-N 1 2 354.454 3.016 20 30 FGEDLO Cc1c2cccc(Br)c2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583755721 506954379 /nfs/dbraw/zinc/95/43/79/506954379.db2.gz BUEZMGCPSQJLIX-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597599612 507024891 /nfs/dbraw/zinc/02/48/91/507024891.db2.gz DFJMPVAQTUSXOZ-UHFFFAOYSA-N 1 2 366.465 3.219 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1C#N ZINC000591045363 507091880 /nfs/dbraw/zinc/09/18/80/507091880.db2.gz PTDQBBBEILLCJN-PZJWPPBQSA-N 1 2 358.445 3.360 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1C#N ZINC000591045363 507091886 /nfs/dbraw/zinc/09/18/86/507091886.db2.gz PTDQBBBEILLCJN-PZJWPPBQSA-N 1 2 358.445 3.360 20 30 FGEDLO C=CCCSCCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000597968583 507200208 /nfs/dbraw/zinc/20/02/08/507200208.db2.gz IIENZHCXRXHHKS-UHFFFAOYSA-N 1 2 355.507 3.262 20 30 FGEDLO C=CCCSCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000597968583 507200214 /nfs/dbraw/zinc/20/02/14/507200214.db2.gz IIENZHCXRXHHKS-UHFFFAOYSA-N 1 2 355.507 3.262 20 30 FGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000610367584 507214503 /nfs/dbraw/zinc/21/45/03/507214503.db2.gz ILUGRBPTIHDWKE-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000610367584 507214510 /nfs/dbraw/zinc/21/45/10/507214510.db2.gz ILUGRBPTIHDWKE-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239818 507307711 /nfs/dbraw/zinc/30/77/11/507307711.db2.gz CTYSFPVIUZXMLC-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000601390920 507353751 /nfs/dbraw/zinc/35/37/51/507353751.db2.gz YLBNPVMVBWBWBW-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000601390920 507353758 /nfs/dbraw/zinc/35/37/58/507353758.db2.gz YLBNPVMVBWBWBW-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H](C)CO2)c1 ZINC000584470497 507362606 /nfs/dbraw/zinc/36/26/06/507362606.db2.gz GWZLMJGSXKMKJM-JXFKEZNVSA-N 1 2 361.449 3.180 20 30 FGEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H](C)CO2)c1 ZINC000584470497 507362611 /nfs/dbraw/zinc/36/26/11/507362611.db2.gz GWZLMJGSXKMKJM-JXFKEZNVSA-N 1 2 361.449 3.180 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000584562147 507411158 /nfs/dbraw/zinc/41/11/58/507411158.db2.gz UEIZXAVSXXRMOZ-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592059628 507470180 /nfs/dbraw/zinc/47/01/80/507470180.db2.gz VTWCJALQLILXIX-OAHLLOKOSA-N 1 2 363.490 3.442 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1[nH]cc[nH+]1 ZINC000595401578 507482830 /nfs/dbraw/zinc/48/28/30/507482830.db2.gz LLEUFUOZAOFGGD-LBPRGKRZSA-N 1 2 357.483 3.071 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000598603797 507514406 /nfs/dbraw/zinc/51/44/06/507514406.db2.gz KFLIVVHFWGSWCR-XJKSGUPXSA-N 1 2 356.388 3.379 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000598603797 507514410 /nfs/dbraw/zinc/51/44/10/507514410.db2.gz KFLIVVHFWGSWCR-XJKSGUPXSA-N 1 2 356.388 3.379 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195746 507533802 /nfs/dbraw/zinc/53/38/02/507533802.db2.gz URIZIGCMPNYHSN-ZIAGYGMSSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195746 507533803 /nfs/dbraw/zinc/53/38/03/507533803.db2.gz URIZIGCMPNYHSN-ZIAGYGMSSA-N 1 2 373.522 3.469 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505451 507533883 /nfs/dbraw/zinc/53/38/83/507533883.db2.gz UHWIXVNFNXGOAE-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505451 507533888 /nfs/dbraw/zinc/53/38/88/507533888.db2.gz UHWIXVNFNXGOAE-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000611177117 507547857 /nfs/dbraw/zinc/54/78/57/507547857.db2.gz UYGFXZZIJBYVMN-AWEZNQCLSA-N 1 2 369.387 3.216 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000611177117 507547864 /nfs/dbraw/zinc/54/78/64/507547864.db2.gz UYGFXZZIJBYVMN-AWEZNQCLSA-N 1 2 369.387 3.216 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(F)c3C#N)CCCC2)no1 ZINC000602008787 507551880 /nfs/dbraw/zinc/55/18/80/507551880.db2.gz UTJWNSDKXCPXIQ-UHFFFAOYSA-N 1 2 371.460 3.481 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1C ZINC000595618121 507594231 /nfs/dbraw/zinc/59/42/31/507594231.db2.gz LUMZXJJBVIJRTM-NRFANRHFSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)c1C ZINC000595618121 507594243 /nfs/dbraw/zinc/59/42/43/507594243.db2.gz LUMZXJJBVIJRTM-NRFANRHFSA-N 1 2 355.482 3.051 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000595621083 507597105 /nfs/dbraw/zinc/59/71/05/507597105.db2.gz SRSSKAOKUXQUFS-MRXNPFEDSA-N 1 2 363.465 3.314 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000595621083 507597111 /nfs/dbraw/zinc/59/71/11/507597111.db2.gz SRSSKAOKUXQUFS-MRXNPFEDSA-N 1 2 363.465 3.314 20 30 FGEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602172003 507615047 /nfs/dbraw/zinc/61/50/47/507615047.db2.gz MUHZRBDQMWWWCC-ZDUSSCGKSA-N 1 2 362.315 3.072 20 30 FGEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000595682587 507625210 /nfs/dbraw/zinc/62/52/10/507625210.db2.gz BUTOULSOMCAEFN-QPJJXVBHSA-N 1 2 374.488 3.141 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000585817540 507647295 /nfs/dbraw/zinc/64/72/95/507647295.db2.gz XOBHELZDSQLOPE-QGZVFWFLSA-N 1 2 353.388 3.289 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)nc1 ZINC000595722746 507647312 /nfs/dbraw/zinc/64/73/12/507647312.db2.gz HQAMWTPHCCATFD-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1F ZINC000595753673 507668357 /nfs/dbraw/zinc/66/83/57/507668357.db2.gz RACMVEMQFWMVQX-GOSISDBHSA-N 1 2 353.397 3.482 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1F ZINC000595753673 507668366 /nfs/dbraw/zinc/66/83/66/507668366.db2.gz RACMVEMQFWMVQX-GOSISDBHSA-N 1 2 353.397 3.482 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c(F)c1 ZINC000586779817 507668837 /nfs/dbraw/zinc/66/88/37/507668837.db2.gz NWOGTBJQZFGDDT-UHFFFAOYSA-N 1 2 363.396 3.200 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000586790263 507672657 /nfs/dbraw/zinc/67/26/57/507672657.db2.gz GZNWCYMFCLGSSS-IBGZPJMESA-N 1 2 362.408 3.074 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000586824223 507684951 /nfs/dbraw/zinc/68/49/51/507684951.db2.gz RTINXSFCMLFTCY-GOSISDBHSA-N 1 2 357.816 3.066 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)cs1 ZINC000587993989 507727243 /nfs/dbraw/zinc/72/72/43/507727243.db2.gz DYLUTQXIEYVEQR-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)cc(C)n3)CC2)cs1 ZINC000587993989 507727248 /nfs/dbraw/zinc/72/72/48/507727248.db2.gz DYLUTQXIEYVEQR-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CCCn1c(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)cc2ccccc21 ZINC000527314534 562285011 /nfs/dbraw/zinc/28/50/11/562285011.db2.gz UMPZFOZRRPFESM-UHFFFAOYSA-N 1 2 364.453 3.050 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000330323259 568242475 /nfs/dbraw/zinc/24/24/75/568242475.db2.gz HLRQJKRYPIEEJM-BHPKHCPMSA-N 1 2 374.407 3.265 20 30 FGEDLO CC(=O)Nc1cc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330350854 568320283 /nfs/dbraw/zinc/32/02/83/568320283.db2.gz LOLFQQPGGJQEBX-MAUKXSAKSA-N 1 2 371.441 3.392 20 30 FGEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000020917344 695642677 /nfs/dbraw/zinc/64/26/77/695642677.db2.gz JPSZTJVNCVLQJT-NSHDSACASA-N 1 2 362.227 3.113 20 30 FGEDLO C[C@H](NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1)c1cccs1 ZINC000106067233 700506331 /nfs/dbraw/zinc/50/63/31/700506331.db2.gz NCIKCZCMNYMAKA-NSHDSACASA-N 1 2 351.859 3.110 20 30 FGEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000108442539 700526078 /nfs/dbraw/zinc/52/60/78/700526078.db2.gz AWVBQIVCJSPGNO-OAQYLSRUSA-N 1 2 353.487 3.473 20 30 FGEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000108442539 700526082 /nfs/dbraw/zinc/52/60/82/700526082.db2.gz AWVBQIVCJSPGNO-OAQYLSRUSA-N 1 2 353.487 3.473 20 30 FGEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nc(-c3cccs3)no2)cc1 ZINC000174115084 705487710 /nfs/dbraw/zinc/48/77/10/705487710.db2.gz GAJKJTXWNIGWFH-LLVKDONJSA-N 1 2 358.423 3.399 20 30 FGEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1(C2CCCCC2)CCCCC1 ZINC000329913303 713833452 /nfs/dbraw/zinc/83/34/52/713833452.db2.gz OQYMJDJRKNXZBD-GOSISDBHSA-N 1 2 352.519 3.167 20 30 FGEDLO COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cn1 ZINC000574820078 714453712 /nfs/dbraw/zinc/45/37/12/714453712.db2.gz OAELJEOWUVCOKC-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)cn1 ZINC000574820078 714453713 /nfs/dbraw/zinc/45/37/13/714453713.db2.gz OAELJEOWUVCOKC-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000617098429 714628765 /nfs/dbraw/zinc/62/87/65/714628765.db2.gz ZNCOZRCJCQDZTH-SJCJKPOMSA-N 1 2 354.479 3.083 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000622769917 715090000 /nfs/dbraw/zinc/09/00/00/715090000.db2.gz ZCDXMKGDRZUZRA-KRWDZBQOSA-N 1 2 363.933 3.271 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)cc1OC ZINC000623352656 715317229 /nfs/dbraw/zinc/31/72/29/715317229.db2.gz JIKAERFLIUSLNN-LBPRGKRZSA-N 1 2 362.861 3.302 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2nc(Br)ccc2F)s1 ZINC000794715764 723542611 /nfs/dbraw/zinc/54/26/11/723542611.db2.gz YMENUAKGGCWRNT-GQCTYLIASA-N 1 2 370.247 3.397 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1Cl ZINC000631215306 716588837 /nfs/dbraw/zinc/58/88/37/716588837.db2.gz QGEOICILJMJIKE-UHFFFAOYSA-N 1 2 362.861 3.207 20 30 FGEDLO C=CCCn1cc(CNC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1 ZINC000657290623 719619161 /nfs/dbraw/zinc/61/91/61/719619161.db2.gz SQIYVZLERDZGHC-LJQANCHMSA-N 1 2 359.905 3.434 20 30 FGEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660950322 720151259 /nfs/dbraw/zinc/15/12/59/720151259.db2.gz ORVRHOCUMQZFNT-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660950322 720151261 /nfs/dbraw/zinc/15/12/61/720151261.db2.gz ORVRHOCUMQZFNT-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782515070 724677352 /nfs/dbraw/zinc/67/73/52/724677352.db2.gz BPZDVVRUUZLNEA-DZGCQCFKSA-N 1 2 361.795 3.291 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782515070 724677355 /nfs/dbraw/zinc/67/73/55/724677355.db2.gz BPZDVVRUUZLNEA-DZGCQCFKSA-N 1 2 361.795 3.291 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 ZINC000746883376 722621912 /nfs/dbraw/zinc/62/19/12/722621912.db2.gz MIWBQCKYSXCJOF-SFHVURJKSA-N 1 2 354.475 3.138 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(-c2ccc(OC)cc2)s1 ZINC000746883376 722621915 /nfs/dbraw/zinc/62/19/15/722621915.db2.gz MIWBQCKYSXCJOF-SFHVURJKSA-N 1 2 354.475 3.138 20 30 FGEDLO C#C[C@@H](CC)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753274602 722892469 /nfs/dbraw/zinc/89/24/69/722892469.db2.gz ZXSQFGLTGCXSLD-XJKSGUPXSA-N 1 2 351.853 3.327 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc(Br)ncc2F)s1 ZINC000794710903 723542315 /nfs/dbraw/zinc/54/23/15/723542315.db2.gz KHINHTIPSCWHGN-ONEGZZNKSA-N 1 2 370.247 3.397 20 30 FGEDLO C=CCn1c(-c2ccco2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767759655 723633101 /nfs/dbraw/zinc/63/31/01/723633101.db2.gz RKLJZZUHHCXSDC-UHFFFAOYSA-N 1 2 358.471 3.036 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCCOC2)O1 ZINC000796607829 723646187 /nfs/dbraw/zinc/64/61/87/723646187.db2.gz YNJMLBQYHXBTOC-KBXCAEBGSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCCOC2)O1 ZINC000796607829 723646188 /nfs/dbraw/zinc/64/61/88/723646188.db2.gz YNJMLBQYHXBTOC-KBXCAEBGSA-N 1 2 350.846 3.012 20 30 FGEDLO Brc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000769809314 723696560 /nfs/dbraw/zinc/69/65/60/723696560.db2.gz AQAPFZDBOVVCFD-UHFFFAOYSA-N 1 2 361.243 3.127 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)O2 ZINC000797527829 723830679 /nfs/dbraw/zinc/83/06/79/723830679.db2.gz LUWXYDULHYWGBT-VCBZYWHSSA-N 1 2 364.873 3.401 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)O2 ZINC000797527829 723830680 /nfs/dbraw/zinc/83/06/80/723830680.db2.gz LUWXYDULHYWGBT-VCBZYWHSSA-N 1 2 364.873 3.401 20 30 FGEDLO Cc1cc(Br)cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000775062584 723957168 /nfs/dbraw/zinc/95/71/68/723957168.db2.gz CWKPRSRVADKCCU-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCCO1 ZINC000775791062 724061794 /nfs/dbraw/zinc/06/17/94/724061794.db2.gz RWSJZSBNMIDLOD-HOTGVXAUSA-N 1 2 358.463 3.098 20 30 FGEDLO CC[C@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000776297094 724129792 /nfs/dbraw/zinc/12/97/92/724129792.db2.gz MGICCYVFLKKPFC-HNNXBMFYSA-N 1 2 361.442 3.060 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3Br)cc2)N1 ZINC000800815565 724231025 /nfs/dbraw/zinc/23/10/25/724231025.db2.gz FJDPWUXSYLZJBP-LBPRGKRZSA-N 1 2 357.255 3.387 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N1CCc2ccccc21 ZINC000778167205 724305841 /nfs/dbraw/zinc/30/58/41/724305841.db2.gz APLHMFKYDDGYSA-UHFFFAOYSA-N 1 2 354.837 3.031 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000787517995 725030633 /nfs/dbraw/zinc/03/06/33/725030633.db2.gz COQOHWSSSASJBU-AWEZNQCLSA-N 1 2 367.674 3.089 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000787517995 725030636 /nfs/dbraw/zinc/03/06/36/725030636.db2.gz COQOHWSSSASJBU-AWEZNQCLSA-N 1 2 367.674 3.089 20 30 FGEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000787997214 725041397 /nfs/dbraw/zinc/04/13/97/725041397.db2.gz HVPFTRODSZZALV-OAHLLOKOSA-N 1 2 355.463 3.362 20 30 FGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000787997214 725041398 /nfs/dbraw/zinc/04/13/98/725041398.db2.gz HVPFTRODSZZALV-OAHLLOKOSA-N 1 2 355.463 3.362 20 30 FGEDLO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000809575439 725248788 /nfs/dbraw/zinc/24/87/88/725248788.db2.gz DDAYHOGSRGESLH-IUODEOHRSA-N 1 2 356.253 3.061 20 30 FGEDLO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000809575439 725248789 /nfs/dbraw/zinc/24/87/89/725248789.db2.gz DDAYHOGSRGESLH-IUODEOHRSA-N 1 2 356.253 3.061 20 30 FGEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000811339826 725358690 /nfs/dbraw/zinc/35/86/90/725358690.db2.gz MNRWSLLPESZYSI-UHFFFAOYSA-N 1 2 352.865 3.038 20 30 FGEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000811339826 725358692 /nfs/dbraw/zinc/35/86/92/725358692.db2.gz MNRWSLLPESZYSI-UHFFFAOYSA-N 1 2 352.865 3.038 20 30 FGEDLO CN(C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1)C(=O)OC(C)(C)C ZINC000811458277 725366536 /nfs/dbraw/zinc/36/65/36/725366536.db2.gz VNUMRFSLWVGMCO-CYBMUJFWSA-N 1 2 350.488 3.094 20 30 FGEDLO CN(C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1)C(=O)OC(C)(C)C ZINC000811458277 725366538 /nfs/dbraw/zinc/36/65/38/725366538.db2.gz VNUMRFSLWVGMCO-CYBMUJFWSA-N 1 2 350.488 3.094 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811500479 725369900 /nfs/dbraw/zinc/36/99/00/725369900.db2.gz DQUPDIPMHRLGIM-ZDUSSCGKSA-N 1 2 350.488 3.142 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811500479 725369902 /nfs/dbraw/zinc/36/99/02/725369902.db2.gz DQUPDIPMHRLGIM-ZDUSSCGKSA-N 1 2 350.488 3.142 20 30 FGEDLO C=C[C@H](C)ONC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844286140 730698511 /nfs/dbraw/zinc/69/85/11/730698511.db2.gz RSMMRJBQMUIUBB-SWLSCSKDSA-N 1 2 355.841 3.421 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368315 730708434 /nfs/dbraw/zinc/70/84/34/730708434.db2.gz DIPGQBWMEMVKDK-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368315 730708438 /nfs/dbraw/zinc/70/84/38/730708438.db2.gz DIPGQBWMEMVKDK-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845442322 730850613 /nfs/dbraw/zinc/85/06/13/730850613.db2.gz DXOHCCSPMBJTES-HZMBPMFUSA-N 1 2 365.220 3.489 20 30 FGEDLO Fc1ccc(Br)c2c1CCC2=NNCCCn1cc[nH+]c1 ZINC000848417640 731161954 /nfs/dbraw/zinc/16/19/54/731161954.db2.gz CJLSWPWVTYSTPA-UHFFFAOYSA-N 1 2 351.223 3.115 20 30 FGEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000852468558 731587938 /nfs/dbraw/zinc/58/79/38/731587938.db2.gz QERYXWAFFAEKFD-IOASZLSFSA-N 1 2 353.260 3.140 20 30 FGEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000852468558 731587942 /nfs/dbraw/zinc/58/79/42/731587942.db2.gz QERYXWAFFAEKFD-IOASZLSFSA-N 1 2 353.260 3.140 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524562 731717595 /nfs/dbraw/zinc/71/75/95/731717595.db2.gz NQPFQSVRNSXSIS-OCCSQVGLSA-N 1 2 351.372 3.003 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524562 731717597 /nfs/dbraw/zinc/71/75/97/731717597.db2.gz NQPFQSVRNSXSIS-OCCSQVGLSA-N 1 2 351.372 3.003 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000877622631 736695302 /nfs/dbraw/zinc/69/53/02/736695302.db2.gz RLGWHNWDRCXYEG-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000877622631 736695304 /nfs/dbraw/zinc/69/53/04/736695304.db2.gz RLGWHNWDRCXYEG-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000886755302 739292604 /nfs/dbraw/zinc/29/26/04/739292604.db2.gz DRTMPVBVONMGOK-UHFFFAOYSA-N 1 2 356.438 3.343 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000886759864 739292851 /nfs/dbraw/zinc/29/28/51/739292851.db2.gz RBSDSGMHNOGZHS-UHFFFAOYSA-N 1 2 358.404 3.253 20 30 FGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888408549 739517671 /nfs/dbraw/zinc/51/76/71/739517671.db2.gz WDMBDISMQDCPLZ-JTQLQIEISA-N 1 2 352.851 3.101 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCc2ccccc2Cl)C1 ZINC000951785675 762496236 /nfs/dbraw/zinc/49/62/36/762496236.db2.gz ZMSSKAHPRHZINS-MJGOQNOKSA-N 1 2 362.901 3.006 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922904515 759025845 /nfs/dbraw/zinc/02/58/45/759025845.db2.gz JBLYIAXPPXRUCO-MRXNPFEDSA-N 1 2 358.511 3.191 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2noc3c2COCC3)cc1OC ZINC000923014165 759049983 /nfs/dbraw/zinc/04/99/83/759049983.db2.gz CKVRZLOLQOGPOD-UHFFFAOYSA-N 1 2 364.829 3.264 20 30 FGEDLO C=CC[C@@H]1N(C(=O)NCc2nc(C[NH+](C)C)cs2)CCCC1(C)C ZINC000924774533 759387208 /nfs/dbraw/zinc/38/72/08/759387208.db2.gz BYIRGUMWBKYRFW-HNNXBMFYSA-N 1 2 350.532 3.481 20 30 FGEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000931142667 760788825 /nfs/dbraw/zinc/78/88/25/760788825.db2.gz SWYJKTDQHHTOBE-NSHDSACASA-N 1 2 374.790 3.146 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920536 761008103 /nfs/dbraw/zinc/00/81/03/761008103.db2.gz YHCYRQAVEIWNMV-RISCZKNCSA-N 1 2 373.375 3.091 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920536 761008112 /nfs/dbraw/zinc/00/81/12/761008112.db2.gz YHCYRQAVEIWNMV-RISCZKNCSA-N 1 2 373.375 3.091 20 30 FGEDLO C#Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000933368870 761372546 /nfs/dbraw/zinc/37/25/46/761372546.db2.gz MDZPQUQLSRKUIL-MRXNPFEDSA-N 1 2 361.873 3.040 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652421 761446653 /nfs/dbraw/zinc/44/66/53/761446653.db2.gz IHHKIFKJXJKGCI-AWEZNQCLSA-N 1 2 362.857 3.313 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000969972337 762865190 /nfs/dbraw/zinc/86/51/90/762865190.db2.gz GRXSIFMGAFKCOK-IACUBPJLSA-N 1 2 350.812 3.320 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000981185935 763461885 /nfs/dbraw/zinc/46/18/85/763461885.db2.gz JWOQMNVFBKEAAL-CVEARBPZSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000981185935 763461887 /nfs/dbraw/zinc/46/18/87/763461887.db2.gz JWOQMNVFBKEAAL-CVEARBPZSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000981993076 763544836 /nfs/dbraw/zinc/54/48/36/763544836.db2.gz YCTDKDNLLNMUHJ-AEFFLSMTSA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000981993076 763544841 /nfs/dbraw/zinc/54/48/41/763544841.db2.gz YCTDKDNLLNMUHJ-AEFFLSMTSA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001008558658 765675846 /nfs/dbraw/zinc/67/58/46/765675846.db2.gz LDMUUNZTBYEBCF-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001008558658 765675847 /nfs/dbraw/zinc/67/58/47/765675847.db2.gz LDMUUNZTBYEBCF-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001014468558 765783282 /nfs/dbraw/zinc/78/32/82/765783282.db2.gz JIOZQWDVTQIUBA-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001014468558 765783287 /nfs/dbraw/zinc/78/32/87/765783287.db2.gz JIOZQWDVTQIUBA-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001015826823 765810579 /nfs/dbraw/zinc/81/05/79/765810579.db2.gz JLYJZQCBHFAYPN-QRVBRYPASA-N 1 2 362.901 3.406 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001015826823 765810585 /nfs/dbraw/zinc/81/05/85/765810585.db2.gz JLYJZQCBHFAYPN-QRVBRYPASA-N 1 2 362.901 3.406 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001033281426 766211481 /nfs/dbraw/zinc/21/14/81/766211481.db2.gz DZLKWLROLRGDJS-CEXWTWQISA-N 1 2 361.917 3.141 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001033281426 766211484 /nfs/dbraw/zinc/21/14/84/766211484.db2.gz DZLKWLROLRGDJS-CEXWTWQISA-N 1 2 361.917 3.141 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216965 766234569 /nfs/dbraw/zinc/23/45/69/766234569.db2.gz MDMMBHUDRXZQSR-YYIAUSFCSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216965 766234572 /nfs/dbraw/zinc/23/45/72/766234572.db2.gz MDMMBHUDRXZQSR-YYIAUSFCSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001045442730 766536340 /nfs/dbraw/zinc/53/63/40/766536340.db2.gz NYCYMDWEWKWQFP-ZDZFUCEFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1sccc1C)O2 ZINC001053598959 766985668 /nfs/dbraw/zinc/98/56/68/766985668.db2.gz IYPWAJXJWZXXSU-GVDBMIGSSA-N 1 2 360.523 3.086 20 30 FGEDLO C=CCN(CC=C)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000015088307 210145490 /nfs/dbraw/zinc/14/54/90/210145490.db2.gz LHTQFKQRYKSDLU-UHFFFAOYSA-N 1 2 365.462 3.108 20 30 FGEDLO CC1(C)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000567913192 505573301 /nfs/dbraw/zinc/57/33/01/505573301.db2.gz YNMSEXNJPXFBOJ-UHFFFAOYSA-N 1 2 354.479 3.276 20 30 FGEDLO CC1(C)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000567913192 505573303 /nfs/dbraw/zinc/57/33/03/505573303.db2.gz YNMSEXNJPXFBOJ-UHFFFAOYSA-N 1 2 354.479 3.276 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000077204384 494032300 /nfs/dbraw/zinc/03/23/00/494032300.db2.gz OUVKQOMSMPSDBC-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000077204384 494032305 /nfs/dbraw/zinc/03/23/05/494032305.db2.gz OUVKQOMSMPSDBC-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000579671764 505599089 /nfs/dbraw/zinc/59/90/89/505599089.db2.gz UWZGGIBQTSBQDB-INIZCTEOSA-N 1 2 367.497 3.474 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000579671764 505599091 /nfs/dbraw/zinc/59/90/91/505599091.db2.gz UWZGGIBQTSBQDB-INIZCTEOSA-N 1 2 367.497 3.474 20 30 FGEDLO Cc1cc2[nH+]cn(C[C@@H](O)CSCc3nc(C#N)cs3)c2cc1C ZINC000579692235 505603554 /nfs/dbraw/zinc/60/35/54/505603554.db2.gz VSRSRAUZTCAUGT-CQSZACIVSA-N 1 2 358.492 3.276 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000080907868 493789476 /nfs/dbraw/zinc/78/94/76/493789476.db2.gz DGCOFZXXIIAEPL-QFIPXVFZSA-N 1 2 371.488 3.314 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000080921612 493792109 /nfs/dbraw/zinc/79/21/09/493792109.db2.gz NJQXQOBQSRSVCG-UHFFFAOYSA-N 1 2 367.449 3.170 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000080921612 493792110 /nfs/dbraw/zinc/79/21/10/493792110.db2.gz NJQXQOBQSRSVCG-UHFFFAOYSA-N 1 2 367.449 3.170 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccn2)c1 ZINC000081012383 493812236 /nfs/dbraw/zinc/81/22/36/493812236.db2.gz RHEGAMMAVUHAEO-JOCHJYFZSA-N 1 2 364.493 3.447 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccn2)c1 ZINC000081012383 493812240 /nfs/dbraw/zinc/81/22/40/493812240.db2.gz RHEGAMMAVUHAEO-JOCHJYFZSA-N 1 2 364.493 3.447 20 30 FGEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000057907978 493814380 /nfs/dbraw/zinc/81/43/80/493814380.db2.gz LCDQZZJZAVOCAN-UHFFFAOYSA-N 1 2 357.841 3.452 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000029857043 493862312 /nfs/dbraw/zinc/86/23/12/493862312.db2.gz BAWRSKSKACYMOE-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000030967993 493914319 /nfs/dbraw/zinc/91/43/19/493914319.db2.gz ZGKGDEGVGDIJSG-UHFFFAOYSA-N 1 2 373.815 3.402 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000069071907 493916381 /nfs/dbraw/zinc/91/63/81/493916381.db2.gz FWBVSTWVVQUNFR-FXAWDEMLSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000069071907 493916385 /nfs/dbraw/zinc/91/63/85/493916385.db2.gz FWBVSTWVVQUNFR-FXAWDEMLSA-N 1 2 357.498 3.044 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000051798765 493987647 /nfs/dbraw/zinc/98/76/47/493987647.db2.gz UMKXDRUKOIPEBY-IBGZPJMESA-N 1 2 360.498 3.101 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000051798765 493987649 /nfs/dbraw/zinc/98/76/49/493987649.db2.gz UMKXDRUKOIPEBY-IBGZPJMESA-N 1 2 360.498 3.101 20 30 FGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000007639414 494031150 /nfs/dbraw/zinc/03/11/50/494031150.db2.gz HSZHOKKPGXFIPT-UHFFFAOYSA-N 1 2 357.797 3.011 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000007639414 494031153 /nfs/dbraw/zinc/03/11/53/494031153.db2.gz HSZHOKKPGXFIPT-UHFFFAOYSA-N 1 2 357.797 3.011 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(C#N)c1 ZINC000063300472 494042340 /nfs/dbraw/zinc/04/23/40/494042340.db2.gz UQOLHLJNBDTUGQ-UHFFFAOYSA-N 1 2 352.438 3.470 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(C#N)c1 ZINC000063300472 494042345 /nfs/dbraw/zinc/04/23/45/494042345.db2.gz UQOLHLJNBDTUGQ-UHFFFAOYSA-N 1 2 352.438 3.470 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008319235 494084196 /nfs/dbraw/zinc/08/41/96/494084196.db2.gz JZVZDPZVEZOAAT-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008319235 494084200 /nfs/dbraw/zinc/08/42/00/494084200.db2.gz JZVZDPZVEZOAAT-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2sccc2Br)CC1 ZINC000064507974 494129779 /nfs/dbraw/zinc/12/97/79/494129779.db2.gz QSOARKCRLIXRTR-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000072723877 494241971 /nfs/dbraw/zinc/24/19/71/494241971.db2.gz OLXUSVHEKUBZBD-UHFFFAOYSA-N 1 2 372.513 3.267 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000012989816 494274318 /nfs/dbraw/zinc/27/43/18/494274318.db2.gz KNQGONKJEGXBLQ-IBGZPJMESA-N 1 2 362.477 3.144 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066179828 494284585 /nfs/dbraw/zinc/28/45/85/494284585.db2.gz MMKJCRVCUBOMRF-UHFFFAOYSA-N 1 2 365.481 3.254 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000043471045 494297629 /nfs/dbraw/zinc/29/76/29/494297629.db2.gz PYYBJDPHRAAYNE-UHFFFAOYSA-N 1 2 361.449 3.448 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)c1 ZINC000043984525 494333132 /nfs/dbraw/zinc/33/31/32/494333132.db2.gz BIQCFHNJFLAPIB-IBGZPJMESA-N 1 2 360.417 3.321 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055996537 494440210 /nfs/dbraw/zinc/44/02/10/494440210.db2.gz ZMAOIQBJQWCZQM-INIZCTEOSA-N 1 2 360.417 3.152 20 30 FGEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046517849 494534967 /nfs/dbraw/zinc/53/49/67/494534967.db2.gz ZHHRLNQFTYEPBP-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046517849 494534971 /nfs/dbraw/zinc/53/49/71/494534971.db2.gz ZHHRLNQFTYEPBP-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO CC(C)CCC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258092 494559096 /nfs/dbraw/zinc/55/90/96/494559096.db2.gz BQXKKMOFIDRWDN-IBGZPJMESA-N 1 2 370.541 3.007 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361473 494604918 /nfs/dbraw/zinc/60/49/18/494604918.db2.gz IUUNCDDJJADJLY-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361473 494604927 /nfs/dbraw/zinc/60/49/27/494604927.db2.gz IUUNCDDJJADJLY-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO CCS(=O)(=O)c1ccc2oc(C[NH+]3CCC(CCC#N)CC3)nc2c1 ZINC000571438356 505734101 /nfs/dbraw/zinc/73/41/01/505734101.db2.gz HFZGGGRWPFJUOW-UHFFFAOYSA-N 1 2 361.467 3.137 20 30 FGEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000091811340 494688504 /nfs/dbraw/zinc/68/85/04/494688504.db2.gz QBYZXCCCNBGMSC-OAQYLSRUSA-N 1 2 355.482 3.229 20 30 FGEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000091811340 494688508 /nfs/dbraw/zinc/68/85/08/494688508.db2.gz QBYZXCCCNBGMSC-OAQYLSRUSA-N 1 2 355.482 3.229 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1OCCCC#N ZINC000091916405 494720756 /nfs/dbraw/zinc/72/07/56/494720756.db2.gz QWIYHJVRLTXIOP-UHFFFAOYSA-N 1 2 367.449 3.448 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1OCCCC#N ZINC000091916405 494720759 /nfs/dbraw/zinc/72/07/59/494720759.db2.gz QWIYHJVRLTXIOP-UHFFFAOYSA-N 1 2 367.449 3.448 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)[nH+]c12 ZINC000075299649 494722433 /nfs/dbraw/zinc/72/24/33/494722433.db2.gz JZFRRUDFVIIOHV-WOJBJXKFSA-N 1 2 358.445 3.484 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4cnco4)cc3)CC2)cc1 ZINC000047609652 494745030 /nfs/dbraw/zinc/74/50/30/494745030.db2.gz BYMDYPBOZHPSFU-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121415314 494745417 /nfs/dbraw/zinc/74/54/17/494745417.db2.gz PVQUSYIVEXWSIH-HXUWFJFHSA-N 1 2 365.433 3.182 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371660 494823088 /nfs/dbraw/zinc/82/30/88/494823088.db2.gz FREAMPDAKQXOJZ-SFHVURJKSA-N 1 2 357.498 3.071 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371660 494823093 /nfs/dbraw/zinc/82/30/93/494823093.db2.gz FREAMPDAKQXOJZ-SFHVURJKSA-N 1 2 357.498 3.071 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000027220411 494857488 /nfs/dbraw/zinc/85/74/88/494857488.db2.gz CHZHCPAGXCRDRF-UHFFFAOYSA-N 1 2 357.435 3.234 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000027220411 494857491 /nfs/dbraw/zinc/85/74/91/494857491.db2.gz CHZHCPAGXCRDRF-UHFFFAOYSA-N 1 2 357.435 3.234 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000109356192 494863717 /nfs/dbraw/zinc/86/37/17/494863717.db2.gz SFZMENUECURGLS-UHFFFAOYSA-N 1 2 371.444 3.371 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000109356192 494863720 /nfs/dbraw/zinc/86/37/20/494863720.db2.gz SFZMENUECURGLS-UHFFFAOYSA-N 1 2 371.444 3.371 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1-c1ccccc1 ZINC000126933737 494864898 /nfs/dbraw/zinc/86/48/98/494864898.db2.gz FJAMOJVIEOLVLT-UHFFFAOYSA-N 1 2 357.461 3.375 20 30 FGEDLO Cc1[nH+]cc(CN2CCN(c3ccccc3C#N)CC2)n1-c1ccccc1 ZINC000126933737 494864902 /nfs/dbraw/zinc/86/49/02/494864902.db2.gz FJAMOJVIEOLVLT-UHFFFAOYSA-N 1 2 357.461 3.375 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000027777131 494884970 /nfs/dbraw/zinc/88/49/70/494884970.db2.gz IRVWPOYESCDJOB-UHFFFAOYSA-N 1 2 363.461 3.440 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000027777131 494884972 /nfs/dbraw/zinc/88/49/72/494884972.db2.gz IRVWPOYESCDJOB-UHFFFAOYSA-N 1 2 363.461 3.440 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000027776155 494885399 /nfs/dbraw/zinc/88/53/99/494885399.db2.gz HMSFRTMCPGULKP-UHFFFAOYSA-N 1 2 351.450 3.015 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000027776155 494885404 /nfs/dbraw/zinc/88/54/04/494885404.db2.gz HMSFRTMCPGULKP-UHFFFAOYSA-N 1 2 351.450 3.015 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000122543198 494991897 /nfs/dbraw/zinc/99/18/97/494991897.db2.gz LGZVRBDTPGZCPB-UHFFFAOYSA-N 1 2 364.449 3.027 20 30 FGEDLO N#Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000122705011 495019016 /nfs/dbraw/zinc/01/90/16/495019016.db2.gz DVVQWSHMJPGGCV-UHFFFAOYSA-N 1 2 364.836 3.429 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)c2cn(CCC#N)c3ccccc23)[nH+]1 ZINC000098078278 495052696 /nfs/dbraw/zinc/05/26/96/495052696.db2.gz ALVLHOOIGVOKKF-UHFFFAOYSA-N 1 2 351.435 3.211 20 30 FGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128388269 495089147 /nfs/dbraw/zinc/08/91/47/495089147.db2.gz SJSKAZBZHSEARV-CYBMUJFWSA-N 1 2 364.417 3.303 20 30 FGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128388269 495089149 /nfs/dbraw/zinc/08/91/49/495089149.db2.gz SJSKAZBZHSEARV-CYBMUJFWSA-N 1 2 364.417 3.303 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102928798 495173706 /nfs/dbraw/zinc/17/37/06/495173706.db2.gz CHNQZLCBVWKYCY-AWEZNQCLSA-N 1 2 355.419 3.124 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102928798 495173711 /nfs/dbraw/zinc/17/37/11/495173711.db2.gz CHNQZLCBVWKYCY-AWEZNQCLSA-N 1 2 355.419 3.124 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000129109620 495197408 /nfs/dbraw/zinc/19/74/08/495197408.db2.gz CSDOYQYWSRFARG-OAHLLOKOSA-N 1 2 356.495 3.088 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000129109620 495197412 /nfs/dbraw/zinc/19/74/12/495197412.db2.gz CSDOYQYWSRFARG-OAHLLOKOSA-N 1 2 356.495 3.088 20 30 FGEDLO C[C@H](C(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000134770180 495198870 /nfs/dbraw/zinc/19/88/70/495198870.db2.gz JUYKRZPPBDYYLM-MRXNPFEDSA-N 1 2 364.449 3.149 20 30 FGEDLO C[C@H](C(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000134770180 495198875 /nfs/dbraw/zinc/19/88/75/495198875.db2.gz JUYKRZPPBDYYLM-MRXNPFEDSA-N 1 2 364.449 3.149 20 30 FGEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CCCOc1cccc(C#N)c1 ZINC000124499895 495297189 /nfs/dbraw/zinc/29/71/89/495297189.db2.gz XIXGCTGZFCBXAT-OAHLLOKOSA-N 1 2 350.422 3.170 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000114054047 495346801 /nfs/dbraw/zinc/34/68/01/495346801.db2.gz AMLRLCNXNOYMKV-UHFFFAOYSA-N 1 2 372.837 3.413 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105302541 495354445 /nfs/dbraw/zinc/35/44/45/495354445.db2.gz QGAWVHSYFYIVRG-KGLIPLIRSA-N 1 2 371.934 3.208 20 30 FGEDLO N#C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CCN1Cc1ccccc1 ZINC000114495908 495385959 /nfs/dbraw/zinc/38/59/59/495385959.db2.gz MMGBGZBEAKBXKO-QFIPXVFZSA-N 1 2 357.461 3.082 20 30 FGEDLO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114815330 495429968 /nfs/dbraw/zinc/42/99/68/495429968.db2.gz WJEIUUAFKCXNEF-QGZVFWFLSA-N 1 2 364.449 3.004 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000125467021 495448617 /nfs/dbraw/zinc/44/86/17/495448617.db2.gz JJCQBWIAGAKVBV-OALUTQOASA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000125467021 495448621 /nfs/dbraw/zinc/44/86/21/495448621.db2.gz JJCQBWIAGAKVBV-OALUTQOASA-N 1 2 370.403 3.081 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000115379579 495497048 /nfs/dbraw/zinc/49/70/48/495497048.db2.gz WCKWNYUDXNSEEK-KRWDZBQOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000115379579 495497051 /nfs/dbraw/zinc/49/70/51/495497051.db2.gz WCKWNYUDXNSEEK-KRWDZBQOSA-N 1 2 372.831 3.140 20 30 FGEDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863174 495502940 /nfs/dbraw/zinc/50/29/40/495502940.db2.gz XEWFFGDRQOFSHL-CZUORRHYSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863174 495502942 /nfs/dbraw/zinc/50/29/42/495502942.db2.gz XEWFFGDRQOFSHL-CZUORRHYSA-N 1 2 361.511 3.062 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)c(C#N)c1C ZINC000185476692 495591651 /nfs/dbraw/zinc/59/16/51/495591651.db2.gz ZDHXVZSMELIKPY-OAHLLOKOSA-N 1 2 367.449 3.079 20 30 FGEDLO COCCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321081 495598815 /nfs/dbraw/zinc/59/88/15/495598815.db2.gz IFQOWLFZNXSTGL-UHFFFAOYSA-N 1 2 365.477 3.470 20 30 FGEDLO COCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321081 495598822 /nfs/dbraw/zinc/59/88/22/495598822.db2.gz IFQOWLFZNXSTGL-UHFFFAOYSA-N 1 2 365.477 3.470 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)s1 ZINC000179648850 495676266 /nfs/dbraw/zinc/67/62/66/495676266.db2.gz QZADDHIIQKXYCN-UHFFFAOYSA-N 1 2 371.897 3.239 20 30 FGEDLO CCOC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000170985107 495677709 /nfs/dbraw/zinc/67/77/09/495677709.db2.gz UFEMOYRXWVMZAG-HNNXBMFYSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000159668556 495783425 /nfs/dbraw/zinc/78/34/25/495783425.db2.gz SHZKZRMQRAKALA-AWEZNQCLSA-N 1 2 372.469 3.347 20 30 FGEDLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000179988786 495812226 /nfs/dbraw/zinc/81/22/26/495812226.db2.gz LUCZXJYEOAVITP-CZUORRHYSA-N 1 2 354.479 3.423 20 30 FGEDLO C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186022308 495824918 /nfs/dbraw/zinc/82/49/18/495824918.db2.gz WYQOGYQNAIWOIH-OAHLLOKOSA-N 1 2 355.405 3.498 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171376228 495844720 /nfs/dbraw/zinc/84/47/20/495844720.db2.gz CLCCCZUPMFCTKV-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171376228 495844726 /nfs/dbraw/zinc/84/47/26/495844726.db2.gz CLCCCZUPMFCTKV-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000155175254 495862211 /nfs/dbraw/zinc/86/22/11/495862211.db2.gz ZXFTXXBCUKVITE-UHFFFAOYSA-N 1 2 364.405 3.089 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)s1 ZINC000151599291 495889921 /nfs/dbraw/zinc/88/99/21/495889921.db2.gz SUWLBHASPWVRPN-GOSISDBHSA-N 1 2 369.490 3.226 20 30 FGEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177047816 495900336 /nfs/dbraw/zinc/90/03/36/495900336.db2.gz VTLJAABINFLEGV-UHFFFAOYSA-N 1 2 354.454 3.230 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000177056981 495904288 /nfs/dbraw/zinc/90/42/88/495904288.db2.gz FFASFZLFXRCCMA-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000177056981 495904294 /nfs/dbraw/zinc/90/42/94/495904294.db2.gz FFASFZLFXRCCMA-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000180364858 495968084 /nfs/dbraw/zinc/96/80/84/495968084.db2.gz GNXTYYJSUFCJKY-CVEARBPZSA-N 1 2 351.516 3.165 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H](c3nccs3)c3ccccc3)C2=O)cc1 ZINC000177192108 495969484 /nfs/dbraw/zinc/96/94/84/495969484.db2.gz UDHIFHWPYZJCMW-RBUKOAKNSA-N 1 2 374.469 3.499 20 30 FGEDLO COc1ccccc1-n1c2ccccc2[nH+]c1NCc1nc(C#N)cs1 ZINC000577908642 505816139 /nfs/dbraw/zinc/81/61/39/505816139.db2.gz CFELMDOSQBQZKR-UHFFFAOYSA-N 1 2 361.430 3.396 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000180713277 496114821 /nfs/dbraw/zinc/11/48/21/496114821.db2.gz DWCHQKKXQRMYKE-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000180713277 496114826 /nfs/dbraw/zinc/11/48/26/496114826.db2.gz DWCHQKKXQRMYKE-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000183816427 496126154 /nfs/dbraw/zinc/12/61/54/496126154.db2.gz RFZUFOJAKZQVCA-AWEZNQCLSA-N 1 2 355.394 3.432 20 30 FGEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180759710 496135313 /nfs/dbraw/zinc/13/53/13/496135313.db2.gz SQKYBJNVCQWLOA-RDJZCZTQSA-N 1 2 369.893 3.376 20 30 FGEDLO CC(C)[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180759710 496135318 /nfs/dbraw/zinc/13/53/18/496135318.db2.gz SQKYBJNVCQWLOA-RDJZCZTQSA-N 1 2 369.893 3.376 20 30 FGEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161283091 496144224 /nfs/dbraw/zinc/14/42/24/496144224.db2.gz TZFWRYWEHXTGDX-UHFFFAOYSA-N 1 2 369.852 3.200 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184091370 496232883 /nfs/dbraw/zinc/23/28/83/496232883.db2.gz UWGSXQNHKACZLI-UHFFFAOYSA-N 1 2 365.437 3.096 20 30 FGEDLO Cc1noc([C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 ZINC000161947545 496269370 /nfs/dbraw/zinc/26/93/70/496269370.db2.gz YSUVOMOQOGEYIX-NSHDSACASA-N 1 2 365.359 3.152 20 30 FGEDLO COc1ccc(C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 ZINC000156632872 496298438 /nfs/dbraw/zinc/29/84/38/496298438.db2.gz XLYHHCVXYWLFNB-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO COc1ccc(C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 ZINC000156632872 496298444 /nfs/dbraw/zinc/29/84/44/496298444.db2.gz XLYHHCVXYWLFNB-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156732499 496322303 /nfs/dbraw/zinc/32/23/03/496322303.db2.gz SDCYFCVGJRGTAT-CYBMUJFWSA-N 1 2 363.508 3.098 20 30 FGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156732499 496322307 /nfs/dbraw/zinc/32/23/07/496322307.db2.gz SDCYFCVGJRGTAT-CYBMUJFWSA-N 1 2 363.508 3.098 20 30 FGEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000181262693 496332453 /nfs/dbraw/zinc/33/24/53/496332453.db2.gz AHUODYGJWZCXTJ-UHFFFAOYSA-N 1 2 361.467 3.274 20 30 FGEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000181262693 496332459 /nfs/dbraw/zinc/33/24/59/496332459.db2.gz AHUODYGJWZCXTJ-UHFFFAOYSA-N 1 2 361.467 3.274 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC000156815627 496339055 /nfs/dbraw/zinc/33/90/55/496339055.db2.gz ZURVOQJDGKHDHX-UHFFFAOYSA-N 1 2 354.431 3.210 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC000156815627 496339058 /nfs/dbraw/zinc/33/90/58/496339058.db2.gz ZURVOQJDGKHDHX-UHFFFAOYSA-N 1 2 354.431 3.210 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153153309 496368533 /nfs/dbraw/zinc/36/85/33/496368533.db2.gz MWJZPZBFSZTDNW-GOSISDBHSA-N 1 2 366.465 3.067 20 30 FGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)C1CCCC1 ZINC000162960980 496441540 /nfs/dbraw/zinc/44/15/40/496441540.db2.gz SYMORAKZWNDKJG-IBGZPJMESA-N 1 2 366.465 3.106 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000157289446 496447367 /nfs/dbraw/zinc/44/73/67/496447367.db2.gz ULBMTSCEZYTGDD-IBGZPJMESA-N 1 2 363.889 3.238 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccco1 ZINC000184590306 496455186 /nfs/dbraw/zinc/45/51/86/496455186.db2.gz WZPQVYUCWQJWFO-AEFFLSMTSA-N 1 2 355.438 3.201 20 30 FGEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000178441406 496457884 /nfs/dbraw/zinc/45/78/84/496457884.db2.gz JBFIPYLZDRULFM-UHFFFAOYSA-N 1 2 369.465 3.399 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181597365 496463627 /nfs/dbraw/zinc/46/36/27/496463627.db2.gz WFQNXYRCOXTNNN-UHFFFAOYSA-N 1 2 374.462 3.099 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181597365 496463632 /nfs/dbraw/zinc/46/36/32/496463632.db2.gz WFQNXYRCOXTNNN-UHFFFAOYSA-N 1 2 374.462 3.099 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C)o1 ZINC000184646683 496478643 /nfs/dbraw/zinc/47/86/43/496478643.db2.gz ZVBFKLUYYJXSCK-WFASDCNBSA-N 1 2 373.478 3.314 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184665061 496484527 /nfs/dbraw/zinc/48/45/27/496484527.db2.gz KZVSTBXYDORWEQ-LRDDRELGSA-N 1 2 361.829 3.417 20 30 FGEDLO CN(Cc1cccc(C#N)c1)c1cc(N(C)Cc2cccc(C#N)c2)[nH+]cn1 ZINC000157654796 496524005 /nfs/dbraw/zinc/52/40/05/496524005.db2.gz OMFSKVHISZINDG-UHFFFAOYSA-N 1 2 368.444 3.493 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000187714165 496543117 /nfs/dbraw/zinc/54/31/17/496543117.db2.gz YPXUXDGQGFDABT-UHFFFAOYSA-N 1 2 352.413 3.403 20 30 FGEDLO CCC(CC)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCOCC1 ZINC000173146754 496569622 /nfs/dbraw/zinc/56/96/22/496569622.db2.gz CORRIMHGDMLLEY-FQEVSTJZSA-N 1 2 373.497 3.445 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000157855242 496571144 /nfs/dbraw/zinc/57/11/44/496571144.db2.gz ODSXRACCVHBPLO-GOSISDBHSA-N 1 2 366.421 3.426 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCCCC#N ZINC000273243409 496751574 /nfs/dbraw/zinc/75/15/74/496751574.db2.gz NHJYVKDMCHTWGW-UHFFFAOYSA-N 1 2 369.469 3.187 20 30 FGEDLO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)nn1-c1cccc(C#N)c1 ZINC000578114410 505864893 /nfs/dbraw/zinc/86/48/93/505864893.db2.gz LZUJLYORSIRJNV-SFHVURJKSA-N 1 2 374.448 3.009 20 30 FGEDLO COc1cc(OC)cc([C@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)c1 ZINC000273354016 496781893 /nfs/dbraw/zinc/78/18/93/496781893.db2.gz PPDNJCMAEGGSKL-SFHVURJKSA-N 1 2 363.421 3.214 20 30 FGEDLO C=C(Br)C[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191565037 496814907 /nfs/dbraw/zinc/81/49/07/496814907.db2.gz CQJNFLXGDHXCEM-UHFFFAOYSA-N 1 2 359.289 3.408 20 30 FGEDLO C=CCOc1ccccc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264232396 496845582 /nfs/dbraw/zinc/84/55/82/496845582.db2.gz YCTXZJHIGPGDFC-UHFFFAOYSA-N 1 2 353.344 3.282 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000569181587 505870522 /nfs/dbraw/zinc/87/05/22/505870522.db2.gz ICJNOPLKHZWZAG-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N(C)CCCn2cc[nH+]c2)cc1OC ZINC000269096404 496870606 /nfs/dbraw/zinc/87/06/06/496870606.db2.gz NBASDXCFLFNBSG-VQHVLOKHSA-N 1 2 355.438 3.018 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277744685 496872754 /nfs/dbraw/zinc/87/27/54/496872754.db2.gz LAKHUTHQBMXNME-HXUWFJFHSA-N 1 2 368.437 3.306 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277744685 496872761 /nfs/dbraw/zinc/87/27/61/496872761.db2.gz LAKHUTHQBMXNME-HXUWFJFHSA-N 1 2 368.437 3.306 20 30 FGEDLO COC(=O)c1ccc(COc2ccccc2C[NH2+]CC2(C#N)CC2)cc1 ZINC000569187436 505871938 /nfs/dbraw/zinc/87/19/38/505871938.db2.gz WQSIAZNPFXEAIB-UHFFFAOYSA-N 1 2 350.418 3.446 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815228 496919011 /nfs/dbraw/zinc/91/90/11/496919011.db2.gz VZEMTOGPZBXZKW-ROUUACIJSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815228 496919015 /nfs/dbraw/zinc/91/90/15/496919015.db2.gz VZEMTOGPZBXZKW-ROUUACIJSA-N 1 2 361.898 3.435 20 30 FGEDLO COc1cc(C#N)ccc1OCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000269823058 497008112 /nfs/dbraw/zinc/00/81/12/497008112.db2.gz WOUIRFVBFQDXQM-UHFFFAOYSA-N 1 2 355.394 3.157 20 30 FGEDLO C#CC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000192228422 497041039 /nfs/dbraw/zinc/04/10/39/497041039.db2.gz YVSYCOXVWQKGRF-UHFFFAOYSA-N 1 2 374.076 3.024 20 30 FGEDLO C#CC[N@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000192228422 497041042 /nfs/dbraw/zinc/04/10/42/497041042.db2.gz YVSYCOXVWQKGRF-UHFFFAOYSA-N 1 2 374.076 3.024 20 30 FGEDLO C=CCCOCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270329337 497103420 /nfs/dbraw/zinc/10/34/20/497103420.db2.gz LZTGBYCBLHRDTG-UHFFFAOYSA-N 1 2 352.438 3.316 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCC#N)c1)c1c(F)cccc1F ZINC000265347652 497104462 /nfs/dbraw/zinc/10/44/62/497104462.db2.gz ZRRACFLTSOIUHE-QGZVFWFLSA-N 1 2 374.391 3.292 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249539410 497218271 /nfs/dbraw/zinc/21/82/71/497218271.db2.gz DMEXDPXIBFNWRV-LIRRHRJNSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1C#N ZINC000249539410 497218276 /nfs/dbraw/zinc/21/82/76/497218276.db2.gz DMEXDPXIBFNWRV-LIRRHRJNSA-N 1 2 372.513 3.123 20 30 FGEDLO C=C[C@](C)(CCOC)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000275506514 497346608 /nfs/dbraw/zinc/34/66/08/497346608.db2.gz UDDDESGESZKSBS-YLJYHZDGSA-N 1 2 357.454 3.123 20 30 FGEDLO C=C[C@](C)(CCOC)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000275506514 497346613 /nfs/dbraw/zinc/34/66/13/497346613.db2.gz UDDDESGESZKSBS-YLJYHZDGSA-N 1 2 357.454 3.123 20 30 FGEDLO N#CCOc1ccccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279488688 497453090 /nfs/dbraw/zinc/45/30/90/497453090.db2.gz IKQOSLSRRNGZHU-UHFFFAOYSA-N 1 2 364.449 3.142 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000279845279 497562419 /nfs/dbraw/zinc/56/24/19/497562419.db2.gz RKCKLMMMGDLKFN-SJLPKXTDSA-N 1 2 358.461 3.091 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000272514588 497649280 /nfs/dbraw/zinc/64/92/80/497649280.db2.gz JCXLBBSJHCYJRB-IAGOWNOFSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000272514588 497649287 /nfs/dbraw/zinc/64/92/87/497649287.db2.gz JCXLBBSJHCYJRB-IAGOWNOFSA-N 1 2 362.424 3.045 20 30 FGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000272621026 497681418 /nfs/dbraw/zinc/68/14/18/497681418.db2.gz UTXDDHYREUZGID-UHFFFAOYSA-N 1 2 355.341 3.330 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)sc1C ZINC000280382961 497737114 /nfs/dbraw/zinc/73/71/14/497737114.db2.gz JXYMKYJDYHIBCD-OAHLLOKOSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)sc1C ZINC000280382961 497737120 /nfs/dbraw/zinc/73/71/20/497737120.db2.gz JXYMKYJDYHIBCD-OAHLLOKOSA-N 1 2 371.462 3.326 20 30 FGEDLO C#CCOc1cccc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000277207894 497776907 /nfs/dbraw/zinc/77/69/07/497776907.db2.gz WGOIQWVEWYLJGN-UHFFFAOYSA-N 1 2 354.454 3.402 20 30 FGEDLO Cc1csc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246631654 497791854 /nfs/dbraw/zinc/79/18/54/497791854.db2.gz ZNHIEJPIBBZUEG-CABCVRRESA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1csc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246631654 497791857 /nfs/dbraw/zinc/79/18/57/497791857.db2.gz ZNHIEJPIBBZUEG-CABCVRRESA-N 1 2 372.519 3.370 20 30 FGEDLO CSc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000273112409 497800407 /nfs/dbraw/zinc/80/04/07/497800407.db2.gz OJQVHZQWFWVWOV-UHFFFAOYSA-N 1 2 367.478 3.025 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291977795 497822460 /nfs/dbraw/zinc/82/24/60/497822460.db2.gz WBTJKDLANSVOBL-HZPDHXFCSA-N 1 2 369.494 3.163 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291977795 497822461 /nfs/dbraw/zinc/82/24/61/497822461.db2.gz WBTJKDLANSVOBL-HZPDHXFCSA-N 1 2 369.494 3.163 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1Cc3ccccc3C1)C2 ZINC000329617151 497847155 /nfs/dbraw/zinc/84/71/55/497847155.db2.gz QBAKNUSXSPJEOB-MRXNPFEDSA-N 1 2 352.482 3.166 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1Cc3ccccc3C1)C2 ZINC000329617151 497847160 /nfs/dbraw/zinc/84/71/60/497847160.db2.gz QBAKNUSXSPJEOB-MRXNPFEDSA-N 1 2 352.482 3.166 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329676428 497866272 /nfs/dbraw/zinc/86/62/72/497866272.db2.gz WDVTYDPGLLOJOS-JLZSUIFSSA-N 1 2 373.501 3.004 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329676428 497866279 /nfs/dbraw/zinc/86/62/79/497866279.db2.gz WDVTYDPGLLOJOS-JLZSUIFSSA-N 1 2 373.501 3.004 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000280797308 497901706 /nfs/dbraw/zinc/90/17/06/497901706.db2.gz KDAHQJQSYSYUHK-UHFFFAOYSA-N 1 2 352.438 3.208 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000280797308 497901714 /nfs/dbraw/zinc/90/17/14/497901714.db2.gz KDAHQJQSYSYUHK-UHFFFAOYSA-N 1 2 352.438 3.208 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329932185 497958666 /nfs/dbraw/zinc/95/86/66/497958666.db2.gz IOEYLZRSZCCSNS-IAGOWNOFSA-N 1 2 355.486 3.382 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2[nH+]ccn2CC)cc1 ZINC000296249065 497970442 /nfs/dbraw/zinc/97/04/42/497970442.db2.gz AIFAXJJERZOUFF-UHFFFAOYSA-N 1 2 367.453 3.039 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329966143 497974106 /nfs/dbraw/zinc/97/41/06/497974106.db2.gz RPDIVAVPAAVRGE-CQSZACIVSA-N 1 2 361.515 3.042 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000280993339 497978386 /nfs/dbraw/zinc/97/83/86/497978386.db2.gz FEFPSEUBOOZQRA-UHFFFAOYSA-N 1 2 360.417 3.097 20 30 FGEDLO CC(C)n1ncc2c1C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000330057180 498007195 /nfs/dbraw/zinc/00/71/95/498007195.db2.gz XATUNYMYCAMXQS-SZVBFZGTSA-N 1 2 370.501 3.015 20 30 FGEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000330057180 498007201 /nfs/dbraw/zinc/00/72/01/498007201.db2.gz XATUNYMYCAMXQS-SZVBFZGTSA-N 1 2 370.501 3.015 20 30 FGEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)nc1 ZINC000301263897 498027767 /nfs/dbraw/zinc/02/77/67/498027767.db2.gz WAGIMZKTNOFROB-UHFFFAOYSA-N 1 2 365.481 3.241 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)s1 ZINC000330139494 498035984 /nfs/dbraw/zinc/03/59/84/498035984.db2.gz WHZCTKPOFRBJMH-KSSFIOAISA-N 1 2 352.500 3.037 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)s1 ZINC000330139494 498035988 /nfs/dbraw/zinc/03/59/88/498035988.db2.gz WHZCTKPOFRBJMH-KSSFIOAISA-N 1 2 352.500 3.037 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000330297129 498096637 /nfs/dbraw/zinc/09/66/37/498096637.db2.gz KQLIELVMWUHNMT-INIZCTEOSA-N 1 2 357.458 3.262 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc4n3CCCCC4)CC2)c(F)c1 ZINC000285482518 498101961 /nfs/dbraw/zinc/10/19/61/498101961.db2.gz LRFKTUCNNLSZPP-UHFFFAOYSA-N 1 2 369.444 3.059 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(Cl)c2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330347066 498113449 /nfs/dbraw/zinc/11/34/49/498113449.db2.gz HISRASQXDJIZEJ-CYBMUJFWSA-N 1 2 351.813 3.127 20 30 FGEDLO COc1c(Cl)cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000330446189 498134044 /nfs/dbraw/zinc/13/40/44/498134044.db2.gz VXNVCHPIAMNZFX-JTQLQIEISA-N 1 2 362.257 3.049 20 30 FGEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1c(F)cncc1F ZINC000285584876 498137618 /nfs/dbraw/zinc/13/76/18/498137618.db2.gz IJHPCGWGEVAKLL-SJKOYZFVSA-N 1 2 356.376 3.078 20 30 FGEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)no1 ZINC000575632178 505986472 /nfs/dbraw/zinc/98/64/72/505986472.db2.gz PABUMSCZPPMQIO-UHFFFAOYSA-N 1 2 367.327 3.377 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000289447933 498149993 /nfs/dbraw/zinc/14/99/93/498149993.db2.gz XBOPMUBWXGMVEA-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000289447933 498150000 /nfs/dbraw/zinc/15/00/00/498150000.db2.gz XBOPMUBWXGMVEA-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1cc(C)c(NC(=O)N(C)Cc2[nH+]ccn2C)cc1Br ZINC000331113811 498254761 /nfs/dbraw/zinc/25/47/61/498254761.db2.gz JMVZMXUYJPGRIE-UHFFFAOYSA-N 1 2 351.248 3.477 20 30 FGEDLO Cc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000301898398 498318228 /nfs/dbraw/zinc/31/82/28/498318228.db2.gz RZZPURMLKBIZFB-MSOLQXFVSA-N 1 2 371.872 3.102 20 30 FGEDLO Cc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000301898398 498318233 /nfs/dbraw/zinc/31/82/33/498318233.db2.gz RZZPURMLKBIZFB-MSOLQXFVSA-N 1 2 371.872 3.102 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000282028337 498362742 /nfs/dbraw/zinc/36/27/42/498362742.db2.gz ZBSTYVUTRVWGNA-UHFFFAOYSA-N 1 2 351.454 3.061 20 30 FGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000365244834 498370547 /nfs/dbraw/zinc/37/05/47/498370547.db2.gz ULXYXLMQOBMXOZ-ZDUSSCGKSA-N 1 2 374.404 3.115 20 30 FGEDLO COc1ccc(Cl)c(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263094 498378443 /nfs/dbraw/zinc/37/84/43/498378443.db2.gz UMDQKUNVKWLIHZ-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(Cl)c(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263094 498378450 /nfs/dbraw/zinc/37/84/50/498378450.db2.gz UMDQKUNVKWLIHZ-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(C)(C#N)CC1 ZINC000331898886 498492552 /nfs/dbraw/zinc/49/25/52/498492552.db2.gz HNUBKFIXRHFAPT-AWEZNQCLSA-N 1 2 356.495 3.269 20 30 FGEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362705743 498543108 /nfs/dbraw/zinc/54/31/08/498543108.db2.gz ZCCSJYXBLFFSCB-MRXNPFEDSA-N 1 2 374.448 3.178 20 30 FGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)CC1 ZINC000362759229 498549930 /nfs/dbraw/zinc/54/99/30/498549930.db2.gz NYYVHNGPLGKBGZ-GOSISDBHSA-N 1 2 354.454 3.126 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000332173173 498588461 /nfs/dbraw/zinc/58/84/61/498588461.db2.gz LQHDTGSOESVQGA-GDBMZVCRSA-N 1 2 351.454 3.221 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222033 498608331 /nfs/dbraw/zinc/60/83/31/498608331.db2.gz WEGUOIRDOMOWBQ-JKSUJKDBSA-N 1 2 373.501 3.104 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222033 498608336 /nfs/dbraw/zinc/60/83/36/498608336.db2.gz WEGUOIRDOMOWBQ-JKSUJKDBSA-N 1 2 373.501 3.104 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)c(F)c1 ZINC000302882599 498614937 /nfs/dbraw/zinc/61/49/37/498614937.db2.gz IVXVVRNDUHUUNA-INIZCTEOSA-N 1 2 366.444 3.168 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)c(F)c1 ZINC000302882599 498614943 /nfs/dbraw/zinc/61/49/43/498614943.db2.gz IVXVVRNDUHUUNA-INIZCTEOSA-N 1 2 366.444 3.168 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365755412 498626563 /nfs/dbraw/zinc/62/65/63/498626563.db2.gz ALMKUJYCTIOEAL-SFHVURJKSA-N 1 2 371.444 3.305 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365755412 498626567 /nfs/dbraw/zinc/62/65/67/498626567.db2.gz ALMKUJYCTIOEAL-SFHVURJKSA-N 1 2 371.444 3.305 20 30 FGEDLO CC(C)(C)C(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000294273912 498640822 /nfs/dbraw/zinc/64/08/22/498640822.db2.gz DXQHSGAQUPXQEX-UHFFFAOYSA-N 1 2 369.509 3.378 20 30 FGEDLO CC(C)(C)C(=O)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000294273912 498640830 /nfs/dbraw/zinc/64/08/30/498640830.db2.gz DXQHSGAQUPXQEX-UHFFFAOYSA-N 1 2 369.509 3.378 20 30 FGEDLO C[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328600110 498870264 /nfs/dbraw/zinc/87/02/64/498870264.db2.gz CTOWPNLQVOQHHJ-CVEARBPZSA-N 1 2 353.470 3.015 20 30 FGEDLO O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328652095 498890111 /nfs/dbraw/zinc/89/01/11/498890111.db2.gz BTWPLPMAOCJDHP-KXBFYZLASA-N 1 2 359.857 3.457 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1C[C@H]1c1c(F)cccc1F)CCC2 ZINC000328658096 498892467 /nfs/dbraw/zinc/89/24/67/498892467.db2.gz QKFFXVIFNXWGKE-WOSRLPQWSA-N 1 2 360.408 3.407 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1C[C@H]1c1c(F)cccc1F)CCC2 ZINC000328658096 498892472 /nfs/dbraw/zinc/89/24/72/498892472.db2.gz QKFFXVIFNXWGKE-WOSRLPQWSA-N 1 2 360.408 3.407 20 30 FGEDLO CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC000328680653 498899320 /nfs/dbraw/zinc/89/93/20/498899320.db2.gz NSSIRKJRCQVLOR-LSDHHAIUSA-N 1 2 354.397 3.211 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000363635698 498917610 /nfs/dbraw/zinc/91/76/10/498917610.db2.gz ZLMLNRSTLRHBDA-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC000328758343 498929402 /nfs/dbraw/zinc/92/94/02/498929402.db2.gz VVNMIHCCGAEXMK-AWEZNQCLSA-N 1 2 364.453 3.285 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C12CCCCC2 ZINC000328773784 498933684 /nfs/dbraw/zinc/93/36/84/498933684.db2.gz BQTXKPAPMQPFFN-IXDOHACOSA-N 1 2 360.502 3.251 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000328782365 498936751 /nfs/dbraw/zinc/93/67/51/498936751.db2.gz JPWFUUKEEXGXQG-HLLBOEOZSA-N 1 2 361.490 3.396 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000328782365 498936760 /nfs/dbraw/zinc/93/67/60/498936760.db2.gz JPWFUUKEEXGXQG-HLLBOEOZSA-N 1 2 361.490 3.396 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299054285 498952676 /nfs/dbraw/zinc/95/26/76/498952676.db2.gz RBNOLMQGGDSUAE-LJQANCHMSA-N 1 2 372.465 3.134 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299054285 498952680 /nfs/dbraw/zinc/95/26/80/498952680.db2.gz RBNOLMQGGDSUAE-LJQANCHMSA-N 1 2 372.465 3.134 20 30 FGEDLO CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000328832242 498954209 /nfs/dbraw/zinc/95/42/09/498954209.db2.gz VKDUTHKWGZVKKX-APWZRJJASA-N 1 2 358.482 3.450 20 30 FGEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328839793 498957235 /nfs/dbraw/zinc/95/72/35/498957235.db2.gz NVYUZUZJPTWTCI-HXUWFJFHSA-N 1 2 368.481 3.094 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(Cc2ccccc2)no1 ZINC000582055274 506123148 /nfs/dbraw/zinc/12/31/48/506123148.db2.gz ZAANEKOMTURZHN-UHFFFAOYSA-N 1 2 362.433 3.181 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(Cc2ccccc2)no1 ZINC000582055274 506123152 /nfs/dbraw/zinc/12/31/52/506123152.db2.gz ZAANEKOMTURZHN-UHFFFAOYSA-N 1 2 362.433 3.181 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328933795 498990796 /nfs/dbraw/zinc/99/07/96/498990796.db2.gz BYYFTGHIODFKCX-LZQZEXGQSA-N 1 2 360.498 3.434 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000328933795 498990802 /nfs/dbraw/zinc/99/08/02/498990802.db2.gz BYYFTGHIODFKCX-LZQZEXGQSA-N 1 2 360.498 3.434 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000328973599 499002981 /nfs/dbraw/zinc/00/29/81/499002981.db2.gz PJXLFTOBICGKSH-CARYKQCGSA-N 1 2 372.513 3.360 20 30 FGEDLO N#C[C@H](C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314645 499022563 /nfs/dbraw/zinc/02/25/63/499022563.db2.gz DUHTXXXSJQBKQL-FUHWJXTLSA-N 1 2 372.428 3.001 20 30 FGEDLO N#C[C@H](C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314645 499022567 /nfs/dbraw/zinc/02/25/67/499022567.db2.gz DUHTXXXSJQBKQL-FUHWJXTLSA-N 1 2 372.428 3.001 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000329091127 499039754 /nfs/dbraw/zinc/03/97/54/499039754.db2.gz WTGDXKMDJMYADA-RVZJWNSFSA-N 1 2 372.494 3.436 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329104449 499042927 /nfs/dbraw/zinc/04/29/27/499042927.db2.gz DMVUGORJVBXGBL-ROUUACIJSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329104449 499042935 /nfs/dbraw/zinc/04/29/35/499042935.db2.gz DMVUGORJVBXGBL-ROUUACIJSA-N 1 2 372.494 3.069 20 30 FGEDLO O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000329141069 499053346 /nfs/dbraw/zinc/05/33/46/499053346.db2.gz JYUAQMXAZAYPAI-WBVHZDCISA-N 1 2 367.453 3.031 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233008 499079840 /nfs/dbraw/zinc/07/98/40/499079840.db2.gz GMZLDLNGOJRFGI-INIZCTEOSA-N 1 2 362.861 3.088 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329233008 499079845 /nfs/dbraw/zinc/07/98/45/499079845.db2.gz GMZLDLNGOJRFGI-INIZCTEOSA-N 1 2 362.861 3.088 20 30 FGEDLO COc1cc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)ccc1C#N ZINC000366921149 499116105 /nfs/dbraw/zinc/11/61/05/499116105.db2.gz JUSTWGRFZGAYIR-IBGZPJMESA-N 1 2 350.397 3.319 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000329459838 499124814 /nfs/dbraw/zinc/12/48/14/499124814.db2.gz RVQDQMNHOMCZHJ-HFTRVMKXSA-N 1 2 361.461 3.398 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000329459838 499124815 /nfs/dbraw/zinc/12/48/15/499124815.db2.gz RVQDQMNHOMCZHJ-HFTRVMKXSA-N 1 2 361.461 3.398 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000329465757 499125822 /nfs/dbraw/zinc/12/58/22/499125822.db2.gz VHGWVASIXPBVEX-QEJZJMRPSA-N 1 2 365.499 3.141 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCn3cncc3C2)C[C@@H](C)O1 ZINC000329473828 499126420 /nfs/dbraw/zinc/12/64/20/499126420.db2.gz ORDWOBMSDRHHHS-ZACQAIPSSA-N 1 2 368.481 3.343 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372536255 499141841 /nfs/dbraw/zinc/14/18/41/499141841.db2.gz CSPBSTVTDNDMPP-UHFFFAOYSA-N 1 2 367.453 3.242 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372811606 499178691 /nfs/dbraw/zinc/17/86/91/499178691.db2.gz HRZHEOZKNXLLEI-NWDGAFQWSA-N 1 2 365.466 3.415 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)sc1C ZINC000370293100 499206463 /nfs/dbraw/zinc/20/64/63/499206463.db2.gz CAYCICDKDRCQFF-AWEZNQCLSA-N 1 2 369.494 3.039 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000370415045 499218731 /nfs/dbraw/zinc/21/87/31/499218731.db2.gz LXUOHXDCDQIDSE-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000370415045 499218733 /nfs/dbraw/zinc/21/87/33/499218733.db2.gz LXUOHXDCDQIDSE-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000367675547 499223994 /nfs/dbraw/zinc/22/39/94/499223994.db2.gz YCRURXFQNVIELG-UHFFFAOYSA-N 1 2 374.510 3.251 20 30 FGEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000368565521 499307983 /nfs/dbraw/zinc/30/79/83/499307983.db2.gz AQTVTXLQMHZOIY-QGZVFWFLSA-N 1 2 363.396 3.244 20 30 FGEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000368565521 499307984 /nfs/dbraw/zinc/30/79/84/499307984.db2.gz AQTVTXLQMHZOIY-QGZVFWFLSA-N 1 2 363.396 3.244 20 30 FGEDLO N#C[C@@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCc2ccccc2C1 ZINC000368660589 499319048 /nfs/dbraw/zinc/31/90/48/499319048.db2.gz SHNMXEBHCHHTFG-JOCHJYFZSA-N 1 2 356.429 3.112 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1C ZINC000368870981 499341905 /nfs/dbraw/zinc/34/19/05/499341905.db2.gz VPTQSPOLTDGSCK-SFHVURJKSA-N 1 2 371.481 3.370 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1C ZINC000368870981 499341907 /nfs/dbraw/zinc/34/19/07/499341907.db2.gz VPTQSPOLTDGSCK-SFHVURJKSA-N 1 2 371.481 3.370 20 30 FGEDLO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371633462 499349159 /nfs/dbraw/zinc/34/91/59/499349159.db2.gz BCUSEFXIQNHKEI-UGKGYDQZSA-N 1 2 362.477 3.329 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000369005719 499356235 /nfs/dbraw/zinc/35/62/35/499356235.db2.gz WANGJEHNBGITCF-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000369005719 499356237 /nfs/dbraw/zinc/35/62/37/499356237.db2.gz WANGJEHNBGITCF-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369132082 499368933 /nfs/dbraw/zinc/36/89/33/499368933.db2.gz ULDCWFQEAMJQKP-RTWAWAEBSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369132082 499368935 /nfs/dbraw/zinc/36/89/35/499368935.db2.gz ULDCWFQEAMJQKP-RTWAWAEBSA-N 1 2 366.440 3.050 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCCc2cccc(C#N)c2)c1 ZINC000369162545 499372712 /nfs/dbraw/zinc/37/27/12/499372712.db2.gz AFYCECWLJLUICB-UHFFFAOYSA-N 1 2 359.433 3.001 20 30 FGEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007398 499389330 /nfs/dbraw/zinc/38/93/30/499389330.db2.gz VFWBQLZZRXKFFH-WOJBJXKFSA-N 1 2 362.408 3.242 20 30 FGEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007398 499389332 /nfs/dbraw/zinc/38/93/32/499389332.db2.gz VFWBQLZZRXKFFH-WOJBJXKFSA-N 1 2 362.408 3.242 20 30 FGEDLO CCOc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491904 499408724 /nfs/dbraw/zinc/40/87/24/499408724.db2.gz SYWUHMDMWNZOJQ-YCRPNKLZSA-N 1 2 365.408 3.070 20 30 FGEDLO CCOc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491904 499408726 /nfs/dbraw/zinc/40/87/26/499408726.db2.gz SYWUHMDMWNZOJQ-YCRPNKLZSA-N 1 2 365.408 3.070 20 30 FGEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000372443825 499435509 /nfs/dbraw/zinc/43/55/09/499435509.db2.gz XGNNEPKHYMNVDG-OAQYLSRUSA-N 1 2 363.461 3.042 20 30 FGEDLO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000372443825 499435510 /nfs/dbraw/zinc/43/55/10/499435510.db2.gz XGNNEPKHYMNVDG-OAQYLSRUSA-N 1 2 363.461 3.042 20 30 FGEDLO C=CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccncc2)c(OC)c1 ZINC000369781830 499442856 /nfs/dbraw/zinc/44/28/56/499442856.db2.gz JIYFGGULEFEVJO-SFHVURJKSA-N 1 2 365.433 3.122 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107377 499451794 /nfs/dbraw/zinc/45/17/94/499451794.db2.gz RYOIVIUBTVDTSQ-RHSMWYFYSA-N 1 2 365.355 3.348 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107377 499451795 /nfs/dbraw/zinc/45/17/95/499451795.db2.gz RYOIVIUBTVDTSQ-RHSMWYFYSA-N 1 2 365.355 3.348 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000373450619 499470600 /nfs/dbraw/zinc/47/06/00/499470600.db2.gz BADPEGCADQSFEU-ZDUSSCGKSA-N 1 2 362.474 3.419 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1F ZINC000375186372 499493451 /nfs/dbraw/zinc/49/34/51/499493451.db2.gz BVMBPNGNCZVIRI-KRWDZBQOSA-N 1 2 352.344 3.089 20 30 FGEDLO COc1cccc([C@H](NC(=O)c2ccc(C#N)cc2C)c2[nH+]ccn2C)c1 ZINC000378252410 499494924 /nfs/dbraw/zinc/49/49/24/499494924.db2.gz IHTTVAOAPVSOOX-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000378387490 499510655 /nfs/dbraw/zinc/51/06/55/499510655.db2.gz ZETYMCLYWVGBSY-HNNXBMFYSA-N 1 2 360.417 3.042 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH+]ccn2C)c1C ZINC000378463256 499519787 /nfs/dbraw/zinc/51/97/87/499519787.db2.gz PSNLPWIZAUAHKW-IBGZPJMESA-N 1 2 365.481 3.121 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000375444362 499519933 /nfs/dbraw/zinc/51/99/33/499519933.db2.gz KHFWNQWNDFFTPF-TZMCWYRMSA-N 1 2 372.375 3.266 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376139663 499586104 /nfs/dbraw/zinc/58/61/04/499586104.db2.gz KBWZUSZURGRFQF-YXJHDRRASA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376139663 499586105 /nfs/dbraw/zinc/58/61/05/499586105.db2.gz KBWZUSZURGRFQF-YXJHDRRASA-N 1 2 353.388 3.295 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C#N)c1C ZINC000408423256 499588082 /nfs/dbraw/zinc/58/80/82/499588082.db2.gz OMQDZVRTKNKOHE-XFQAVAEZSA-N 1 2 371.481 3.376 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C#N)c1C ZINC000408423256 499588084 /nfs/dbraw/zinc/58/80/84/499588084.db2.gz OMQDZVRTKNKOHE-XFQAVAEZSA-N 1 2 371.481 3.376 20 30 FGEDLO C[S@](=O)C[C@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000376359002 499602835 /nfs/dbraw/zinc/60/28/35/499602835.db2.gz JGHXFOUUVGBQRL-QYBDOPJKSA-N 1 2 365.458 3.423 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c[nH+]1 ZINC000376630516 499624632 /nfs/dbraw/zinc/62/46/32/499624632.db2.gz XAFGWADXPKUGAC-UHFFFAOYSA-N 1 2 368.412 3.206 20 30 FGEDLO COc1cccc([C@@H](NC(=O)NCC(C)(C)CCC#N)c2[nH+]ccn2C)c1 ZINC000376794462 499634577 /nfs/dbraw/zinc/63/45/77/499634577.db2.gz ZEPKZCCDTFRPSB-QGZVFWFLSA-N 1 2 369.469 3.147 20 30 FGEDLO CCC(C)(C)N(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410725755 499676173 /nfs/dbraw/zinc/67/61/73/499676173.db2.gz PMEZJRRMZBBMBF-UHFFFAOYSA-N 1 2 355.398 3.325 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377552658 499703911 /nfs/dbraw/zinc/70/39/11/499703911.db2.gz IXTVITIPFWVPRT-RBBKRZOGSA-N 1 2 364.445 3.146 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377552658 499703913 /nfs/dbraw/zinc/70/39/13/499703913.db2.gz IXTVITIPFWVPRT-RBBKRZOGSA-N 1 2 364.445 3.146 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411181620 499707701 /nfs/dbraw/zinc/70/77/01/499707701.db2.gz URBRTXWMGHIRAC-SFHVURJKSA-N 1 2 367.474 3.422 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411181620 499707702 /nfs/dbraw/zinc/70/77/02/499707702.db2.gz URBRTXWMGHIRAC-SFHVURJKSA-N 1 2 367.474 3.422 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCCc1cccs1 ZINC000411197092 499709746 /nfs/dbraw/zinc/70/97/46/499709746.db2.gz VIQMHVVDPWXRFD-OAHLLOKOSA-N 1 2 373.478 3.392 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCCc1cccs1 ZINC000411197092 499709747 /nfs/dbraw/zinc/70/97/47/499709747.db2.gz VIQMHVVDPWXRFD-OAHLLOKOSA-N 1 2 373.478 3.392 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622259 499711844 /nfs/dbraw/zinc/71/18/44/499711844.db2.gz YBHSWCHXHIATCD-DLBZAZTESA-N 1 2 355.463 3.460 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622259 499711846 /nfs/dbraw/zinc/71/18/46/499711846.db2.gz YBHSWCHXHIATCD-DLBZAZTESA-N 1 2 355.463 3.460 20 30 FGEDLO CC(=O)NCC[N@H+](CCC1(C#N)CCCCC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000411494790 499747410 /nfs/dbraw/zinc/74/74/10/499747410.db2.gz HZYOYKMKYDMSQD-INIZCTEOSA-N 1 2 365.518 3.019 20 30 FGEDLO CC(=O)NCC[N@@H+](CCC1(C#N)CCCCC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000411494790 499747411 /nfs/dbraw/zinc/74/74/11/499747411.db2.gz HZYOYKMKYDMSQD-INIZCTEOSA-N 1 2 365.518 3.019 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000378002723 499754603 /nfs/dbraw/zinc/75/46/03/499754603.db2.gz YCWODMDYHKHSRJ-FQEVSTJZSA-N 1 2 370.884 3.352 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000378002723 499754604 /nfs/dbraw/zinc/75/46/04/499754604.db2.gz YCWODMDYHKHSRJ-FQEVSTJZSA-N 1 2 370.884 3.352 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@@H](OC)C1 ZINC000570401446 506159470 /nfs/dbraw/zinc/15/94/70/506159470.db2.gz SRRYMQWEZXAJFH-SZVBFZGTSA-N 1 2 358.482 3.324 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000413402945 499949443 /nfs/dbraw/zinc/94/94/43/499949443.db2.gz KBKUGHYUTKUBQX-OALUTQOASA-N 1 2 350.466 3.147 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH+]cn1C ZINC000425091101 500016379 /nfs/dbraw/zinc/01/63/79/500016379.db2.gz WOMXTULKZVCXDI-CYBMUJFWSA-N 1 2 364.371 3.312 20 30 FGEDLO CCOc1ccc([C@@H](C)NC(=O)CCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425227719 500050284 /nfs/dbraw/zinc/05/02/84/500050284.db2.gz AVAKTGSPIDXFCV-MRXNPFEDSA-N 1 2 366.465 3.152 20 30 FGEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2nocc2C(=O)OC)cc1OC ZINC000425374990 500089541 /nfs/dbraw/zinc/08/95/41/500089541.db2.gz RHYKBKDBOPWUIW-UHFFFAOYSA-N 1 2 360.410 3.060 20 30 FGEDLO COC(=O)[C@H](CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419836 500099814 /nfs/dbraw/zinc/09/98/14/500099814.db2.gz LNWNCSVYBOLONT-RTWAWAEBSA-N 1 2 364.445 3.278 20 30 FGEDLO COC(=O)[C@H](CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419836 500099816 /nfs/dbraw/zinc/09/98/16/500099816.db2.gz LNWNCSVYBOLONT-RTWAWAEBSA-N 1 2 364.445 3.278 20 30 FGEDLO Cc1c(Cl)cccc1-n1ccnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414095598 500151853 /nfs/dbraw/zinc/15/18/53/500151853.db2.gz KOVBUVWEFMAURN-AWEZNQCLSA-N 1 2 364.902 3.133 20 30 FGEDLO Cc1c(Cl)cccc1-n1ccnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414095598 500151858 /nfs/dbraw/zinc/15/18/58/500151858.db2.gz KOVBUVWEFMAURN-AWEZNQCLSA-N 1 2 364.902 3.133 20 30 FGEDLO N#CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCC1 ZINC000419635090 500386651 /nfs/dbraw/zinc/38/66/51/500386651.db2.gz FXMOHOMVWCJLEK-UHFFFAOYSA-N 1 2 371.872 3.442 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000428229271 500484194 /nfs/dbraw/zinc/48/41/94/500484194.db2.gz NZNOCWXWZOWYQJ-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000428229271 500484195 /nfs/dbraw/zinc/48/41/95/500484195.db2.gz NZNOCWXWZOWYQJ-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428366313 500500949 /nfs/dbraw/zinc/50/09/49/500500949.db2.gz XCMVREXULPCZLQ-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCc1cc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc(OC)c1OC ZINC000420845281 500514776 /nfs/dbraw/zinc/51/47/76/500514776.db2.gz HQHVIFOAHYHSTF-UHFFFAOYSA-N 1 2 369.465 3.444 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000432866201 500580511 /nfs/dbraw/zinc/58/05/11/500580511.db2.gz RBVWZFSCWXGWAS-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433109761 500627386 /nfs/dbraw/zinc/62/73/86/500627386.db2.gz GNAQIGGLONRLOX-MRXNPFEDSA-N 1 2 356.495 3.207 20 30 FGEDLO C=C[C@@H](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442841399 500633588 /nfs/dbraw/zinc/63/35/88/500633588.db2.gz MOIFYWNKIMLGCF-JTSKRJEESA-N 1 2 372.509 3.269 20 30 FGEDLO CC(C)c1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000433309886 500668436 /nfs/dbraw/zinc/66/84/36/500668436.db2.gz DZSDQSQENPTWJV-UHFFFAOYSA-N 1 2 367.482 3.123 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000433316890 500670913 /nfs/dbraw/zinc/67/09/13/500670913.db2.gz JUXFKQXBBAWKRC-FQEVSTJZSA-N 1 2 362.477 3.461 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000437637139 500673415 /nfs/dbraw/zinc/67/34/15/500673415.db2.gz PNNYXJYLPZKBPI-AZUAARDMSA-N 1 2 372.513 3.242 20 30 FGEDLO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC000447893338 500687115 /nfs/dbraw/zinc/68/71/15/500687115.db2.gz ZWWIZIAKQYNEJR-YADHBBJMSA-N 1 2 374.488 3.042 20 30 FGEDLO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC000447893338 500687117 /nfs/dbraw/zinc/68/71/17/500687117.db2.gz ZWWIZIAKQYNEJR-YADHBBJMSA-N 1 2 374.488 3.042 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000570643265 506209790 /nfs/dbraw/zinc/20/97/90/506209790.db2.gz RDDPIMHCLMNUQI-ZFWWWQNUSA-N 1 2 356.451 3.301 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C#N)ccc3F)c2C1 ZINC000443893001 500774185 /nfs/dbraw/zinc/77/41/85/500774185.db2.gz BHDZZEBEVZYWIF-UHFFFAOYSA-N 1 2 374.419 3.163 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C#N)ccc3F)c2C1 ZINC000443893001 500774189 /nfs/dbraw/zinc/77/41/89/500774189.db2.gz BHDZZEBEVZYWIF-UHFFFAOYSA-N 1 2 374.419 3.163 20 30 FGEDLO Cc1cccc(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448577836 500775816 /nfs/dbraw/zinc/77/58/16/500775816.db2.gz LGDIEMLVPUBDKM-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CCN(c3cc[nH+]c4ccncc43)CC2)c1 ZINC000444088800 500801488 /nfs/dbraw/zinc/80/14/88/500801488.db2.gz UETVYRQDPYQAMW-UHFFFAOYSA-N 1 2 357.417 3.357 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580203 506221546 /nfs/dbraw/zinc/22/15/46/506221546.db2.gz SVHMJEZGQSTDFG-WDEREUQCSA-N 1 2 369.437 3.139 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580203 506221548 /nfs/dbraw/zinc/22/15/48/506221548.db2.gz SVHMJEZGQSTDFG-WDEREUQCSA-N 1 2 369.437 3.139 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccccc1C ZINC000434803035 500897882 /nfs/dbraw/zinc/89/78/82/500897882.db2.gz OEJVAMSQCBHEOJ-FQEVSTJZSA-N 1 2 352.434 3.482 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccccc1C ZINC000434803035 500897885 /nfs/dbraw/zinc/89/78/85/500897885.db2.gz OEJVAMSQCBHEOJ-FQEVSTJZSA-N 1 2 352.434 3.482 20 30 FGEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439461002 500899539 /nfs/dbraw/zinc/89/95/39/500899539.db2.gz YPSCTDUTVKVUQZ-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439461002 500899541 /nfs/dbraw/zinc/89/95/41/500899541.db2.gz YPSCTDUTVKVUQZ-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000444785621 500900530 /nfs/dbraw/zinc/90/05/30/500900530.db2.gz YVLOHSYSIGFKPY-NRFANRHFSA-N 1 2 371.481 3.131 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000444785621 500900531 /nfs/dbraw/zinc/90/05/31/500900531.db2.gz YVLOHSYSIGFKPY-NRFANRHFSA-N 1 2 371.481 3.131 20 30 FGEDLO N#Cc1c(Br)cccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000439578048 500915651 /nfs/dbraw/zinc/91/56/51/500915651.db2.gz FEVSTFCYPWYUJN-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000435048725 500927167 /nfs/dbraw/zinc/92/71/67/500927167.db2.gz BVJGZFUECCSAEC-FXAWDEMLSA-N 1 2 350.418 3.270 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000435048725 500927168 /nfs/dbraw/zinc/92/71/68/500927168.db2.gz BVJGZFUECCSAEC-FXAWDEMLSA-N 1 2 350.418 3.270 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C1=O ZINC000449304008 500971537 /nfs/dbraw/zinc/97/15/37/500971537.db2.gz NTFFXLVAPAQEIL-OAHLLOKOSA-N 1 2 363.433 3.307 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C1=O ZINC000449304008 500971539 /nfs/dbraw/zinc/97/15/39/500971539.db2.gz NTFFXLVAPAQEIL-OAHLLOKOSA-N 1 2 363.433 3.307 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000435671808 501008733 /nfs/dbraw/zinc/00/87/33/501008733.db2.gz FTKKSUYCCSUQDS-BMFZPTHFSA-N 1 2 368.271 3.234 20 30 FGEDLO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000449600096 501042009 /nfs/dbraw/zinc/04/20/09/501042009.db2.gz IPUQNYIAHQCLGM-KRWDZBQOSA-N 1 2 365.424 3.105 20 30 FGEDLO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000449600096 501042012 /nfs/dbraw/zinc/04/20/12/501042012.db2.gz IPUQNYIAHQCLGM-KRWDZBQOSA-N 1 2 365.424 3.105 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000441066610 501083058 /nfs/dbraw/zinc/08/30/58/501083058.db2.gz QATHSHSDNNLVLU-UHFFFAOYSA-N 1 2 363.461 3.022 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000441066610 501083059 /nfs/dbraw/zinc/08/30/59/501083059.db2.gz QATHSHSDNNLVLU-UHFFFAOYSA-N 1 2 363.461 3.022 20 30 FGEDLO Cc1nsc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1C#N ZINC000436492759 501138689 /nfs/dbraw/zinc/13/86/89/501138689.db2.gz WDUQMVGVXQMKLR-UHFFFAOYSA-N 1 2 370.482 3.420 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316785 501231845 /nfs/dbraw/zinc/23/18/45/501231845.db2.gz GBZRAFABLGVGRB-CJNGLKHVSA-N 1 2 372.450 3.402 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316785 501231847 /nfs/dbraw/zinc/23/18/47/501231847.db2.gz GBZRAFABLGVGRB-CJNGLKHVSA-N 1 2 372.450 3.402 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017391 501239337 /nfs/dbraw/zinc/23/93/37/501239337.db2.gz NPSCYUAVYBPQLK-SUMWQHHRSA-N 1 2 373.888 3.361 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017391 501239338 /nfs/dbraw/zinc/23/93/38/501239338.db2.gz NPSCYUAVYBPQLK-SUMWQHHRSA-N 1 2 373.888 3.361 20 30 FGEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451574723 501328554 /nfs/dbraw/zinc/32/85/54/501328554.db2.gz RXNFGCYMRKNYDN-BBRMVZONSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451574723 501328555 /nfs/dbraw/zinc/32/85/55/501328555.db2.gz RXNFGCYMRKNYDN-BBRMVZONSA-N 1 2 361.511 3.184 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000455712756 501370509 /nfs/dbraw/zinc/37/05/09/501370509.db2.gz BGHYAXRKISWVEK-UHFFFAOYSA-N 1 2 369.856 3.151 20 30 FGEDLO N#CCc1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000455712170 501370541 /nfs/dbraw/zinc/37/05/41/501370541.db2.gz ZVECJHMUNFVION-UHFFFAOYSA-N 1 2 371.750 3.487 20 30 FGEDLO COc1nsc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1Br ZINC000602666775 506252469 /nfs/dbraw/zinc/25/24/69/506252469.db2.gz JXSQZMSQGVTKOB-UHFFFAOYSA-N 1 2 368.256 3.084 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458573763 501477427 /nfs/dbraw/zinc/47/74/27/501477427.db2.gz AFFRRSLMUGBEPQ-JKSUJKDBSA-N 1 2 366.868 3.463 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458573763 501477429 /nfs/dbraw/zinc/47/74/29/501477429.db2.gz AFFRRSLMUGBEPQ-JKSUJKDBSA-N 1 2 366.868 3.463 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)c1 ZINC000459254895 501620018 /nfs/dbraw/zinc/62/00/18/501620018.db2.gz GKEKXLBKNZXYPF-INIZCTEOSA-N 1 2 358.486 3.023 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459427133 501652077 /nfs/dbraw/zinc/65/20/77/501652077.db2.gz AEAQTWKTXMVMJD-KRWDZBQOSA-N 1 2 364.280 3.072 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459462412 501658412 /nfs/dbraw/zinc/65/84/12/501658412.db2.gz JPSCGUGLPASGTQ-ZOWXZIJZSA-N 1 2 363.483 3.096 20 30 FGEDLO COc1ccc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000459599997 501684754 /nfs/dbraw/zinc/68/47/54/501684754.db2.gz ZSFAYQKESFNHEL-UHFFFAOYSA-N 1 2 360.454 3.151 20 30 FGEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477760752 501779569 /nfs/dbraw/zinc/77/95/69/501779569.db2.gz QPBULRRCKFCPSO-FQEVSTJZSA-N 1 2 350.418 3.100 20 30 FGEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477760752 501779573 /nfs/dbraw/zinc/77/95/73/501779573.db2.gz QPBULRRCKFCPSO-FQEVSTJZSA-N 1 2 350.418 3.100 20 30 FGEDLO CCc1nc(C#N)cc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000596145689 506278082 /nfs/dbraw/zinc/27/80/82/506278082.db2.gz WNEMFIYKKKZGHL-UHFFFAOYSA-N 1 2 350.470 3.049 20 30 FGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC ZINC000602735355 506278897 /nfs/dbraw/zinc/27/88/97/506278897.db2.gz VSRYFMLQUMCNRS-WFASDCNBSA-N 1 2 368.861 3.163 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000470991650 501885147 /nfs/dbraw/zinc/88/51/47/501885147.db2.gz DWGCJEVBHLHCGH-SFHVURJKSA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000485806095 501946222 /nfs/dbraw/zinc/94/62/22/501946222.db2.gz OAEJXWYEGCXWAC-PXNSSMCTSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000485806095 501946226 /nfs/dbraw/zinc/94/62/26/501946226.db2.gz OAEJXWYEGCXWAC-PXNSSMCTSA-N 1 2 355.482 3.049 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccn1 ZINC000474792267 501953847 /nfs/dbraw/zinc/95/38/47/501953847.db2.gz LSWAMGGZZPRXET-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3c(F)cccc3F)CC2)cc1 ZINC000485883383 501974797 /nfs/dbraw/zinc/97/47/97/501974797.db2.gz MXAKIPSRLLXNHP-UHFFFAOYSA-N 1 2 369.415 3.332 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(c3c(F)cccc3F)CC2)CCCCC1 ZINC000485887880 501977696 /nfs/dbraw/zinc/97/76/96/501977696.db2.gz IONWFSZHRVITHX-UHFFFAOYSA-N 1 2 361.436 3.487 20 30 FGEDLO CCCCOc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000468403335 502047023 /nfs/dbraw/zinc/04/70/23/502047023.db2.gz OYBJDKIFKICRCA-UHFFFAOYSA-N 1 2 350.466 3.454 20 30 FGEDLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2[nH+]1 ZINC000471667090 502102564 /nfs/dbraw/zinc/10/25/64/502102564.db2.gz FBEZJNWLBYSXOS-INIZCTEOSA-N 1 2 374.448 3.302 20 30 FGEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461721396 502179332 /nfs/dbraw/zinc/17/93/32/502179332.db2.gz CBSOLYXJTMBVIO-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000468825204 502196941 /nfs/dbraw/zinc/19/69/41/502196941.db2.gz DVBQMLNEIWWJEK-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1ccc([C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000461790199 502201278 /nfs/dbraw/zinc/20/12/78/502201278.db2.gz XPJQSORBGMQMSG-QRWLVFNGSA-N 1 2 374.444 3.310 20 30 FGEDLO CC(C)(C#N)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479380176 502241002 /nfs/dbraw/zinc/24/10/02/502241002.db2.gz ISUVXYAIQQLRGQ-HNNXBMFYSA-N 1 2 366.868 3.465 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000461960829 502253666 /nfs/dbraw/zinc/25/36/66/502253666.db2.gz VCNOXNQOFZDFPS-VNQPRFMTSA-N 1 2 357.845 3.154 20 30 FGEDLO C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000462075043 502296264 /nfs/dbraw/zinc/29/62/64/502296264.db2.gz PVDXYTXAXIUWTQ-ACJLOTCBSA-N 1 2 357.404 3.359 20 30 FGEDLO C=CCCC1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000476030743 502364333 /nfs/dbraw/zinc/36/43/33/502364333.db2.gz SMOGQACCBIHEMT-KRWDZBQOSA-N 1 2 355.482 3.408 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000469334713 502379291 /nfs/dbraw/zinc/37/92/91/502379291.db2.gz LAQAMHVMKZPUEV-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(O)c(=O)c1 ZINC000596211384 506312829 /nfs/dbraw/zinc/31/28/29/506312829.db2.gz AHGGTKYOKQXNQM-UHFFFAOYSA-N 1 2 363.461 3.070 20 30 FGEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000469706440 502509561 /nfs/dbraw/zinc/50/95/61/502509561.db2.gz YUZSPNNYWHTRBG-OAHLLOKOSA-N 1 2 352.381 3.466 20 30 FGEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000469706440 502509565 /nfs/dbraw/zinc/50/95/65/502509565.db2.gz YUZSPNNYWHTRBG-OAHLLOKOSA-N 1 2 352.381 3.466 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000473151678 502529047 /nfs/dbraw/zinc/52/90/47/502529047.db2.gz LRPUJADYBFRYDY-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000473151678 502529054 /nfs/dbraw/zinc/52/90/54/502529054.db2.gz LRPUJADYBFRYDY-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)ccc1C#N ZINC000488091248 502624620 /nfs/dbraw/zinc/62/46/20/502624620.db2.gz BSAGCLXVMZWQON-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO Cc1nc(N2CC(Nc3cccc(C#N)c3)C2)c(Br)c(C)[nH+]1 ZINC000599112251 506326928 /nfs/dbraw/zinc/32/69/28/506326928.db2.gz XFQAWYUXFOMZPO-UHFFFAOYSA-N 1 2 358.243 3.028 20 30 FGEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000477144295 502690323 /nfs/dbraw/zinc/69/03/23/502690323.db2.gz SKXIBZHKTWJGME-UHFFFAOYSA-N 1 2 370.518 3.300 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646685 502694404 /nfs/dbraw/zinc/69/44/04/502694404.db2.gz ITFBZYKETSMKIA-LLVKDONJSA-N 1 2 372.694 3.295 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646685 502694409 /nfs/dbraw/zinc/69/44/09/502694409.db2.gz ITFBZYKETSMKIA-LLVKDONJSA-N 1 2 372.694 3.295 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000484673057 502703974 /nfs/dbraw/zinc/70/39/74/502703974.db2.gz QJGSCZAYJWCTHS-ZDUSSCGKSA-N 1 2 363.458 3.411 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000484673057 502703978 /nfs/dbraw/zinc/70/39/78/502703978.db2.gz QJGSCZAYJWCTHS-ZDUSSCGKSA-N 1 2 363.458 3.411 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882991 506337573 /nfs/dbraw/zinc/33/75/73/506337573.db2.gz VPKVZIVKFRNSNO-RHSMWYFYSA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882991 506337578 /nfs/dbraw/zinc/33/75/78/506337578.db2.gz VPKVZIVKFRNSNO-RHSMWYFYSA-N 1 2 369.494 3.437 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602891850 506339035 /nfs/dbraw/zinc/33/90/35/506339035.db2.gz JUOYSVMAYXVSQF-MRXNPFEDSA-N 1 2 360.259 3.139 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602891850 506339039 /nfs/dbraw/zinc/33/90/39/506339039.db2.gz JUOYSVMAYXVSQF-MRXNPFEDSA-N 1 2 360.259 3.139 20 30 FGEDLO CC(C)(C#N)CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000496075483 502871799 /nfs/dbraw/zinc/87/17/99/502871799.db2.gz YXFUKOFXQMFKHY-UHFFFAOYSA-N 1 2 350.426 3.201 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000582639982 506340043 /nfs/dbraw/zinc/34/00/43/506340043.db2.gz ISWUGLNJHHQDPB-UHFFFAOYSA-N 1 2 367.836 3.403 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000582639982 506340053 /nfs/dbraw/zinc/34/00/53/506340053.db2.gz ISWUGLNJHHQDPB-UHFFFAOYSA-N 1 2 367.836 3.403 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CCCCOc3cccc(C#N)c3)n2)C1 ZINC000500904746 502889582 /nfs/dbraw/zinc/88/95/82/502889582.db2.gz WEYSAYFHHKVUEE-GOSISDBHSA-N 1 2 370.453 3.125 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CCCCOc3cccc(C#N)c3)n2)C1 ZINC000500904746 502889586 /nfs/dbraw/zinc/88/95/86/502889586.db2.gz WEYSAYFHHKVUEE-GOSISDBHSA-N 1 2 370.453 3.125 20 30 FGEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513410789 502930652 /nfs/dbraw/zinc/93/06/52/502930652.db2.gz GWIVPXRJRKLZHI-OAQYLSRUSA-N 1 2 363.461 3.094 20 30 FGEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513410789 502930656 /nfs/dbraw/zinc/93/06/56/502930656.db2.gz GWIVPXRJRKLZHI-OAQYLSRUSA-N 1 2 363.461 3.094 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509588684 502942845 /nfs/dbraw/zinc/94/28/45/502942845.db2.gz PUVOMDHARJBOOH-GQCTYLIASA-N 1 2 366.396 3.441 20 30 FGEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc2n[nH]cc21 ZINC000501367075 502993722 /nfs/dbraw/zinc/99/37/22/502993722.db2.gz WGKGLKFPJPAROC-UHFFFAOYSA-N 1 2 374.448 3.093 20 30 FGEDLO COc1ccc(C(=O)CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000509895577 503006308 /nfs/dbraw/zinc/00/63/08/503006308.db2.gz BAVHTKFLDLVIQS-UHFFFAOYSA-N 1 2 367.424 3.101 20 30 FGEDLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907500 506346737 /nfs/dbraw/zinc/34/67/37/506346737.db2.gz NCALSWBCHRUPNA-HNNXBMFYSA-N 1 2 365.485 3.386 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)OC)CC1 ZINC000497730762 503026627 /nfs/dbraw/zinc/02/66/27/503026627.db2.gz UWGTUOOSOLDHPV-UHFFFAOYSA-N 1 2 362.495 3.178 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000490053715 503100169 /nfs/dbraw/zinc/10/01/69/503100169.db2.gz MIBOVUBHKNFBFN-SJLPKXTDSA-N 1 2 351.878 3.014 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000490053715 503100171 /nfs/dbraw/zinc/10/01/71/503100171.db2.gz MIBOVUBHKNFBFN-SJLPKXTDSA-N 1 2 351.878 3.014 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000490070333 503103756 /nfs/dbraw/zinc/10/37/56/503103756.db2.gz HCZHZIYBGKNZFQ-SFHVURJKSA-N 1 2 357.841 3.470 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000490070333 503103758 /nfs/dbraw/zinc/10/37/58/503103758.db2.gz HCZHZIYBGKNZFQ-SFHVURJKSA-N 1 2 357.841 3.470 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1C ZINC000510403765 503107600 /nfs/dbraw/zinc/10/76/00/503107600.db2.gz WUAMOYLIEMBRJU-UHFFFAOYSA-N 1 2 356.470 3.219 20 30 FGEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498226867 503135627 /nfs/dbraw/zinc/13/56/27/503135627.db2.gz MXLNUNQYQNCDKZ-CYBMUJFWSA-N 1 2 356.297 3.438 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643222 503162569 /nfs/dbraw/zinc/16/25/69/503162569.db2.gz FEXGXJNDCYTEQC-UXHICEINSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510643222 503162572 /nfs/dbraw/zinc/16/25/72/503162572.db2.gz FEXGXJNDCYTEQC-UXHICEINSA-N 1 2 352.482 3.033 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000510888750 503211196 /nfs/dbraw/zinc/21/11/96/503211196.db2.gz XMTPLWZBUCWMJL-IBGZPJMESA-N 1 2 351.425 3.372 20 30 FGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000510900617 503214041 /nfs/dbraw/zinc/21/40/41/503214041.db2.gz DQAPWEAOZDQLRS-CVEARBPZSA-N 1 2 357.473 3.459 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCC3(c4ccccc4)CC3)CC2)cc1 ZINC000502521287 503216688 /nfs/dbraw/zinc/21/66/88/503216688.db2.gz GJIFRPBPPFAMIH-UHFFFAOYSA-N 1 2 371.484 3.495 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)CC2)cc1 ZINC000502521287 503216693 /nfs/dbraw/zinc/21/66/93/503216693.db2.gz GJIFRPBPPFAMIH-UHFFFAOYSA-N 1 2 371.484 3.495 20 30 FGEDLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502526809 503217870 /nfs/dbraw/zinc/21/78/70/503217870.db2.gz CMXGJGGNBWHUKX-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502526809 503217876 /nfs/dbraw/zinc/21/78/76/503217876.db2.gz CMXGJGGNBWHUKX-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510948270 503223366 /nfs/dbraw/zinc/22/33/66/503223366.db2.gz GSQSWRLIQBBFFY-NSHDSACASA-N 1 2 354.223 3.104 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000515068925 503264334 /nfs/dbraw/zinc/26/43/34/503264334.db2.gz DSGGLCPHPFMKEQ-YPMHNXCESA-N 1 2 373.438 3.327 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1C ZINC000515365318 503324326 /nfs/dbraw/zinc/32/43/26/503324326.db2.gz XCFJRWMMBSRNHC-AWEZNQCLSA-N 1 2 371.510 3.051 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cnn1C ZINC000515365318 503324332 /nfs/dbraw/zinc/32/43/32/503324332.db2.gz XCFJRWMMBSRNHC-AWEZNQCLSA-N 1 2 371.510 3.051 20 30 FGEDLO C=CCOc1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000492493612 503371976 /nfs/dbraw/zinc/37/19/76/503371976.db2.gz ZJAUXRXCJBRVIN-UHFFFAOYSA-N 1 2 363.421 3.213 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000492770045 503384692 /nfs/dbraw/zinc/38/46/92/503384692.db2.gz KRPQQMFZCPSQQF-CYBMUJFWSA-N 1 2 363.177 3.210 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000492770045 503384697 /nfs/dbraw/zinc/38/46/97/503384697.db2.gz KRPQQMFZCPSQQF-CYBMUJFWSA-N 1 2 363.177 3.210 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000512179369 503478838 /nfs/dbraw/zinc/47/88/38/503478838.db2.gz LSTQSDIWGOSJFV-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000512179369 503478841 /nfs/dbraw/zinc/47/88/41/503478841.db2.gz LSTQSDIWGOSJFV-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c(F)c1 ZINC000512212575 503487669 /nfs/dbraw/zinc/48/76/69/503487669.db2.gz LIGPERJQBPALDO-UHFFFAOYSA-N 1 2 361.424 3.410 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000504246020 503543304 /nfs/dbraw/zinc/54/33/04/503543304.db2.gz IXLXWIUKYGATME-QGZVFWFLSA-N 1 2 359.426 3.092 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000504246020 503543308 /nfs/dbraw/zinc/54/33/08/503543308.db2.gz IXLXWIUKYGATME-QGZVFWFLSA-N 1 2 359.426 3.092 20 30 FGEDLO COCc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000512600232 503592503 /nfs/dbraw/zinc/59/25/03/503592503.db2.gz RCYSEIMXXZXYFD-UHFFFAOYSA-N 1 2 370.478 3.012 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546213978 503673459 /nfs/dbraw/zinc/67/34/59/503673459.db2.gz XJUUFLHVNCBRAI-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)cc(OC)c1 ZINC000540346130 503744865 /nfs/dbraw/zinc/74/48/65/503744865.db2.gz IVOPYHRHRNJGPK-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000540470901 503781233 /nfs/dbraw/zinc/78/12/33/503781233.db2.gz VNZJMIVVTLAXII-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO Cn1cc([C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C)cn1 ZINC000537175060 503828392 /nfs/dbraw/zinc/82/83/92/503828392.db2.gz PWGVYNHPAHYNDQ-QGZVFWFLSA-N 1 2 350.426 3.219 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c[nH]1 ZINC000540906056 503932495 /nfs/dbraw/zinc/93/24/95/503932495.db2.gz HARGMGTWNHTKMJ-INIZCTEOSA-N 1 2 360.820 3.246 20 30 FGEDLO C=CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255088 503937584 /nfs/dbraw/zinc/93/75/84/503937584.db2.gz FFAWHRGBWIZAML-CYBMUJFWSA-N 1 2 370.438 3.381 20 30 FGEDLO C=CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255088 503937592 /nfs/dbraw/zinc/93/75/92/503937592.db2.gz FFAWHRGBWIZAML-CYBMUJFWSA-N 1 2 370.438 3.381 20 30 FGEDLO COC(=O)c1cccc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)c1C#N ZINC000533762172 503944468 /nfs/dbraw/zinc/94/44/68/503944468.db2.gz QRCHGJQOLBAEES-UHFFFAOYSA-N 1 2 374.444 3.222 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543964495 503953105 /nfs/dbraw/zinc/95/31/05/503953105.db2.gz VXDGCDVHKGAGQI-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CC#N)CC2)C[C@H](C)O1 ZINC000541043183 503983410 /nfs/dbraw/zinc/98/34/10/503983410.db2.gz XUGVGNPQCYCOHB-IRXDYDNUSA-N 1 2 370.497 3.453 20 30 FGEDLO Cc1ccsc1-c1nnc(NC(=O)C[NH+]2CCC(CCC#N)CC2)o1 ZINC000519148874 504150704 /nfs/dbraw/zinc/15/07/04/504150704.db2.gz VERBKWFNHWXTPJ-UHFFFAOYSA-N 1 2 359.455 3.061 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000544520520 504159810 /nfs/dbraw/zinc/15/98/10/504159810.db2.gz ZLDBZTCXGWKLFD-LSDHHAIUSA-N 1 2 372.444 3.424 20 30 FGEDLO C[C@H](C#N)C[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C1CC1 ZINC000538724327 504344719 /nfs/dbraw/zinc/34/47/19/504344719.db2.gz FCCYBMHVFGWGIS-OAHLLOKOSA-N 1 2 366.465 3.372 20 30 FGEDLO C[C@H](C#N)C[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)C1CC1 ZINC000538724327 504344722 /nfs/dbraw/zinc/34/47/22/504344722.db2.gz FCCYBMHVFGWGIS-OAHLLOKOSA-N 1 2 366.465 3.372 20 30 FGEDLO Fc1ccc(C#CC[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000548170143 504357173 /nfs/dbraw/zinc/35/71/73/504357173.db2.gz RZLDDRFXNJRCQH-UHFFFAOYSA-N 1 2 363.358 3.413 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000519907923 504380227 /nfs/dbraw/zinc/38/02/27/504380227.db2.gz RDMLTSXYYXLRFR-UHFFFAOYSA-N 1 2 359.429 3.470 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000519907923 504380228 /nfs/dbraw/zinc/38/02/28/504380228.db2.gz RDMLTSXYYXLRFR-UHFFFAOYSA-N 1 2 359.429 3.470 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528826623 504401724 /nfs/dbraw/zinc/40/17/24/504401724.db2.gz GBLSNRBWLHVOEG-WDEREUQCSA-N 1 2 358.442 3.320 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000528826622 504401915 /nfs/dbraw/zinc/40/19/15/504401915.db2.gz GBLSNRBWLHVOEG-QWRGUYRKSA-N 1 2 358.442 3.320 20 30 FGEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000539094871 504470532 /nfs/dbraw/zinc/47/05/32/504470532.db2.gz YMLGEPLLAYGYOP-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000520348754 504475036 /nfs/dbraw/zinc/47/50/36/504475036.db2.gz VCOHAZWXEKSDTF-NOZJJQNGSA-N 1 2 360.215 3.345 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Nc4ccccn4)CC3)o2)cc1 ZINC000535574492 504475445 /nfs/dbraw/zinc/47/54/45/504475445.db2.gz ACOMSLDLCQQQKG-UHFFFAOYSA-N 1 2 360.421 3.080 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000539197783 504496297 /nfs/dbraw/zinc/49/62/97/504496297.db2.gz SHAFXONVICOJEV-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COCc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1C#N ZINC000529205950 504582303 /nfs/dbraw/zinc/58/23/03/504582303.db2.gz KSTRHHNTZPJANE-MRXNPFEDSA-N 1 2 353.426 3.053 20 30 FGEDLO C=CC[C@@H](CO)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000545991264 504666557 /nfs/dbraw/zinc/66/65/57/504666557.db2.gz LUARBSDGFCFZMY-HNNXBMFYSA-N 1 2 367.474 3.293 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187964 504717063 /nfs/dbraw/zinc/71/70/63/504717063.db2.gz ZKDPUQPAADLNCM-DYVFJYSZSA-N 1 2 371.378 3.336 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187964 504717068 /nfs/dbraw/zinc/71/70/68/504717068.db2.gz ZKDPUQPAADLNCM-DYVFJYSZSA-N 1 2 371.378 3.336 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000536426654 504730849 /nfs/dbraw/zinc/73/08/49/504730849.db2.gz LBWBNJJTPWGFNN-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000536426654 504730851 /nfs/dbraw/zinc/73/08/51/504730851.db2.gz LBWBNJJTPWGFNN-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2F)ccc1Cl ZINC000532671573 504731901 /nfs/dbraw/zinc/73/19/01/504731901.db2.gz PDABLPGNHQFUHE-UHFFFAOYSA-N 1 2 367.833 3.213 20 30 FGEDLO C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCSCC1 ZINC000532762320 504753459 /nfs/dbraw/zinc/75/34/59/504753459.db2.gz XGIBFZAHEIDLSU-GXFFZTMASA-N 1 2 358.294 3.112 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)c1 ZINC000553033971 504810374 /nfs/dbraw/zinc/81/03/74/504810374.db2.gz NEIFETFLYSITOW-AWEZNQCLSA-N 1 2 356.857 3.498 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC000553148900 504838711 /nfs/dbraw/zinc/83/87/11/504838711.db2.gz JOFHUEKXODEDMC-UHFFFAOYSA-N 1 2 359.389 3.383 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000559349744 504843080 /nfs/dbraw/zinc/84/30/80/504843080.db2.gz LRMARIDXAWTKOJ-HIFRSBDPSA-N 1 2 366.465 3.253 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000559349744 504843086 /nfs/dbraw/zinc/84/30/86/504843086.db2.gz LRMARIDXAWTKOJ-HIFRSBDPSA-N 1 2 366.465 3.253 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000559350597 504843808 /nfs/dbraw/zinc/84/38/08/504843808.db2.gz OYOQQHWJLBGCKW-UKRRQHHQSA-N 1 2 368.456 3.443 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000559350597 504843811 /nfs/dbraw/zinc/84/38/11/504843811.db2.gz OYOQQHWJLBGCKW-UKRRQHHQSA-N 1 2 368.456 3.443 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000549812603 504905299 /nfs/dbraw/zinc/90/52/99/504905299.db2.gz TVMSIUSIHXPVKP-IBGZPJMESA-N 1 2 350.418 3.420 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@@H](CC#N)C3)c2C1 ZINC000562929169 504990284 /nfs/dbraw/zinc/99/02/84/504990284.db2.gz PVYINSUTRSHYKY-HOTGVXAUSA-N 1 2 362.477 3.425 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[C@@H](CC#N)C3)c2C1 ZINC000562929169 504990289 /nfs/dbraw/zinc/99/02/89/504990289.db2.gz PVYINSUTRSHYKY-HOTGVXAUSA-N 1 2 362.477 3.425 20 30 FGEDLO Cc1cc2c(o1)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc2Br ZINC000563220265 505079568 /nfs/dbraw/zinc/07/95/68/505079568.db2.gz JNIZECNLGGDYQS-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000554405436 505167013 /nfs/dbraw/zinc/16/70/13/505167013.db2.gz PIYAJWXACOYDIH-UHFFFAOYSA-N 1 2 350.422 3.207 20 30 FGEDLO N#Cc1ccc(CSCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000557716645 505211611 /nfs/dbraw/zinc/21/16/11/505211611.db2.gz XSHIJSIOYUHLDK-UHFFFAOYSA-N 1 2 363.446 3.070 20 30 FGEDLO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000566761413 505265306 /nfs/dbraw/zinc/26/53/06/505265306.db2.gz MLGVFYGZGXIMBK-ACBHZAAOSA-N 1 2 374.448 3.141 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845616 505279217 /nfs/dbraw/zinc/27/92/17/505279217.db2.gz CKUWKJSQQSXDLF-GJZGRUSLSA-N 1 2 351.372 3.139 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845616 505279222 /nfs/dbraw/zinc/27/92/22/505279222.db2.gz CKUWKJSQQSXDLF-GJZGRUSLSA-N 1 2 351.372 3.139 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000552184075 505423422 /nfs/dbraw/zinc/42/34/22/505423422.db2.gz AAZGTHRROXPDPZ-UHFFFAOYSA-N 1 2 371.843 3.068 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000552184075 505423426 /nfs/dbraw/zinc/42/34/26/505423426.db2.gz AAZGTHRROXPDPZ-UHFFFAOYSA-N 1 2 371.843 3.068 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000555422905 505429690 /nfs/dbraw/zinc/42/96/90/505429690.db2.gz NGNOCKNCBNLRDK-HXUWFJFHSA-N 1 2 371.481 3.074 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C ZINC000555422905 505429692 /nfs/dbraw/zinc/42/96/92/505429692.db2.gz NGNOCKNCBNLRDK-HXUWFJFHSA-N 1 2 371.481 3.074 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1Oc1ccccc1 ZINC000558800199 505496817 /nfs/dbraw/zinc/49/68/17/505496817.db2.gz GBFXNDAGLIXRRL-UHFFFAOYSA-N 1 2 359.389 3.480 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000564849613 505538823 /nfs/dbraw/zinc/53/88/23/505538823.db2.gz VIRIDNJQOUBKRK-MRXNPFEDSA-N 1 2 368.462 3.021 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nnnn1-c1ccccc1 ZINC000562204937 505539321 /nfs/dbraw/zinc/53/93/21/505539321.db2.gz CDWBXMSUYOKEFG-GFCCVEGCSA-N 1 2 372.354 3.404 20 30 FGEDLO N#Cc1ccc(CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000596443040 506407392 /nfs/dbraw/zinc/40/73/92/506407392.db2.gz LCHZJCSNAOKADI-UHFFFAOYSA-N 1 2 369.494 3.365 20 30 FGEDLO COCCOCCOc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127730 506410450 /nfs/dbraw/zinc/41/04/50/506410450.db2.gz VDEKFHFOICSOQU-UHFFFAOYSA-N 1 2 352.434 3.116 20 30 FGEDLO COCCOCCOc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127730 506410455 /nfs/dbraw/zinc/41/04/55/506410455.db2.gz VDEKFHFOICSOQU-UHFFFAOYSA-N 1 2 352.434 3.116 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603125951 506429811 /nfs/dbraw/zinc/42/98/11/506429811.db2.gz NGIXLQVBBDJXSG-UHFFFAOYSA-N 1 2 360.421 3.480 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000589310308 506513763 /nfs/dbraw/zinc/51/37/63/506513763.db2.gz BLQKLPUVHSTLII-GFCCVEGCSA-N 1 2 350.241 3.391 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000593312147 506531117 /nfs/dbraw/zinc/53/11/17/506531117.db2.gz KRGRHLURSOLTNK-PWRODBHTSA-N 1 2 370.456 3.495 20 30 FGEDLO CC(C)(NC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cccc(C#N)c1 ZINC000596689547 506539396 /nfs/dbraw/zinc/53/93/96/506539396.db2.gz ACOSOSRWFNICAP-UHFFFAOYSA-N 1 2 363.465 3.288 20 30 FGEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000589495056 506568854 /nfs/dbraw/zinc/56/88/54/506568854.db2.gz PRBDCKRBYSDMJC-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000589495056 506568861 /nfs/dbraw/zinc/56/88/61/506568861.db2.gz PRBDCKRBYSDMJC-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678727 506574314 /nfs/dbraw/zinc/57/43/14/506574314.db2.gz XUFLLKYUDWVNFK-LJQANCHMSA-N 1 2 366.465 3.027 20 30 FGEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678727 506574321 /nfs/dbraw/zinc/57/43/21/506574321.db2.gz XUFLLKYUDWVNFK-LJQANCHMSA-N 1 2 366.465 3.027 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677813 506574854 /nfs/dbraw/zinc/57/48/54/506574854.db2.gz OIJVYRWNQWKMQZ-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677813 506574861 /nfs/dbraw/zinc/57/48/61/506574861.db2.gz OIJVYRWNQWKMQZ-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686787 506580792 /nfs/dbraw/zinc/58/07/92/506580792.db2.gz YUHFTUOIOPOGRH-UHFFFAOYSA-N 1 2 373.909 3.484 20 30 FGEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686787 506580795 /nfs/dbraw/zinc/58/07/95/506580795.db2.gz YUHFTUOIOPOGRH-UHFFFAOYSA-N 1 2 373.909 3.484 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2)cc[nH+]1 ZINC000612550085 506620777 /nfs/dbraw/zinc/62/07/77/506620777.db2.gz NWPHXKWNPGKFDG-HNNXBMFYSA-N 1 2 371.444 3.182 20 30 FGEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000603834475 506628993 /nfs/dbraw/zinc/62/89/93/506628993.db2.gz VYYXHUWNWDCUJI-HNNXBMFYSA-N 1 2 369.856 3.128 20 30 FGEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000603834475 506628999 /nfs/dbraw/zinc/62/89/99/506628999.db2.gz VYYXHUWNWDCUJI-HNNXBMFYSA-N 1 2 369.856 3.128 20 30 FGEDLO Cc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000603871487 506643816 /nfs/dbraw/zinc/64/38/16/506643816.db2.gz MZLRIXNUMMAAST-HXUWFJFHSA-N 1 2 350.466 3.364 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000609099468 506775267 /nfs/dbraw/zinc/77/52/67/506775267.db2.gz SBAFNOIXRBEPID-HXUWFJFHSA-N 1 2 357.417 3.351 20 30 FGEDLO C[C@H](c1cccc(NC(=O)CNc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000609182832 506806068 /nfs/dbraw/zinc/80/60/68/506806068.db2.gz HHMMPISQPCSBKL-MRXNPFEDSA-N 1 2 364.449 3.002 20 30 FGEDLO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485669 506896042 /nfs/dbraw/zinc/89/60/42/506896042.db2.gz UYHCNBLFQBEXFS-SFHVURJKSA-N 1 2 369.465 3.275 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC2(C#N)CCOCC2)c(C)c1 ZINC000597426179 506947301 /nfs/dbraw/zinc/94/73/01/506947301.db2.gz HIGUXFFDUPGWCP-IBGZPJMESA-N 1 2 366.465 3.068 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613351728 507045695 /nfs/dbraw/zinc/04/56/95/507045695.db2.gz CAQVHVHYWXUNQK-YJBOKZPZSA-N 1 2 358.486 3.178 20 30 FGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590959320 507061392 /nfs/dbraw/zinc/06/13/92/507061392.db2.gz XHYCZBAUFJJANY-WOSRLPQWSA-N 1 2 356.495 3.498 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4cc(C#N)ccc43)cn2c1 ZINC000597776819 507097126 /nfs/dbraw/zinc/09/71/26/507097126.db2.gz NVOOMULOAINPGS-UHFFFAOYSA-N 1 2 362.458 3.337 20 30 FGEDLO Cn1c2ccc(CNC(=O)Cc3c(F)cccc3C#N)cc2[nH+]c1C1CC1 ZINC000591080495 507104747 /nfs/dbraw/zinc/10/47/47/507104747.db2.gz BPWGKZKUNMGQCS-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO CC(C)(C(=O)NCc1ccc[nH+]c1N1CCCC1)c1cc(F)cc(C#N)c1 ZINC000597945092 507191501 /nfs/dbraw/zinc/19/15/01/507191501.db2.gz ZEOKVYXRXSSNCL-UHFFFAOYSA-N 1 2 366.440 3.287 20 30 FGEDLO C[C@]1(c2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610352504 507208576 /nfs/dbraw/zinc/20/85/76/507208576.db2.gz BZBMHQXNBKYNIH-JTHBVZDNSA-N 1 2 374.488 3.116 20 30 FGEDLO C[C@]1(c2ccccc2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610352501 507208886 /nfs/dbraw/zinc/20/88/86/507208886.db2.gz BZBMHQXNBKYNIH-FYYLOGMGSA-N 1 2 374.488 3.116 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000594608791 507209102 /nfs/dbraw/zinc/20/91/02/507209102.db2.gz BHOAABIFOYHUSK-UHFFFAOYSA-N 1 2 372.476 3.078 20 30 FGEDLO CCOC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)C1CCCCCC1 ZINC000594612646 507211443 /nfs/dbraw/zinc/21/14/43/507211443.db2.gz UYYWQYUXTDUHJB-IBGZPJMESA-N 1 2 354.454 3.198 20 30 FGEDLO N#C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C1CC1 ZINC000601068473 507249700 /nfs/dbraw/zinc/24/97/00/507249700.db2.gz CXIPBVKQDIYYCG-QGZVFWFLSA-N 1 2 353.495 3.316 20 30 FGEDLO N#CC1(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CCCCC1 ZINC000594717631 507251127 /nfs/dbraw/zinc/25/11/27/507251127.db2.gz NKLQKEJKFFPTLI-OAHLLOKOSA-N 1 2 353.388 3.165 20 30 FGEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)n1 ZINC000601104019 507260951 /nfs/dbraw/zinc/26/09/51/507260951.db2.gz NMPKSYKKMMFCHU-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO N#CC1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CC2(CC2)C1 ZINC000601395496 507355316 /nfs/dbraw/zinc/35/53/16/507355316.db2.gz DJZIAYRIMXVUTR-UHFFFAOYSA-N 1 2 360.461 3.094 20 30 FGEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000614175613 507395706 /nfs/dbraw/zinc/39/57/06/507395706.db2.gz ZSJKHMPFEHKFFD-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000584581620 507425956 /nfs/dbraw/zinc/42/59/56/507425956.db2.gz LTPSOLBSGVZZMT-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000584581620 507425959 /nfs/dbraw/zinc/42/59/59/507425959.db2.gz LTPSOLBSGVZZMT-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO N#CCC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccn1 ZINC000595343397 507466089 /nfs/dbraw/zinc/46/60/89/507466089.db2.gz QCTHYLXGPGEBDY-GOSISDBHSA-N 1 2 352.463 3.300 20 30 FGEDLO N#CCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccn1 ZINC000595343397 507466097 /nfs/dbraw/zinc/46/60/97/507466097.db2.gz QCTHYLXGPGEBDY-GOSISDBHSA-N 1 2 352.463 3.300 20 30 FGEDLO N#Cc1cnccc1CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000592055159 507468449 /nfs/dbraw/zinc/46/84/49/507468449.db2.gz JVTJYZZZRYQESX-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000584718454 507469296 /nfs/dbraw/zinc/46/92/96/507469296.db2.gz OPAWYFGRQYPKHM-SFHVURJKSA-N 1 2 351.454 3.406 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)c1 ZINC000611012300 507482266 /nfs/dbraw/zinc/48/22/66/507482266.db2.gz LEOXOEPSJMPUIS-OAHLLOKOSA-N 1 2 359.389 3.143 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151044 507510583 /nfs/dbraw/zinc/51/05/83/507510583.db2.gz JOQQXHZXBAEILV-RXVVDRJESA-N 1 2 360.417 3.176 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151044 507510588 /nfs/dbraw/zinc/51/05/88/507510588.db2.gz JOQQXHZXBAEILV-RXVVDRJESA-N 1 2 360.417 3.176 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C(F)(F)F)c1 ZINC000595477406 507518573 /nfs/dbraw/zinc/51/85/73/507518573.db2.gz XJQZCRDAXFQSLT-LBPRGKRZSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C(F)(F)F)c1 ZINC000595477406 507518575 /nfs/dbraw/zinc/51/85/75/507518575.db2.gz XJQZCRDAXFQSLT-LBPRGKRZSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)c1 ZINC000595477406 507518581 /nfs/dbraw/zinc/51/85/81/507518581.db2.gz XJQZCRDAXFQSLT-LBPRGKRZSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)c1 ZINC000595477406 507518586 /nfs/dbraw/zinc/51/85/86/507518586.db2.gz XJQZCRDAXFQSLT-LBPRGKRZSA-N 1 2 352.316 3.045 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196332 507532970 /nfs/dbraw/zinc/53/29/70/507532970.db2.gz VYPHGXQIXCQSAW-DLBZAZTESA-N 1 2 373.472 3.494 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592196332 507532977 /nfs/dbraw/zinc/53/29/77/507532977.db2.gz VYPHGXQIXCQSAW-DLBZAZTESA-N 1 2 373.472 3.494 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598650936 507534979 /nfs/dbraw/zinc/53/49/79/507534979.db2.gz TXRUGCNAAFWSLM-INIZCTEOSA-N 1 2 356.438 3.136 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602081280 507583984 /nfs/dbraw/zinc/58/39/84/507583984.db2.gz VSACHQLTOZVSQG-IBGZPJMESA-N 1 2 365.433 3.179 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602081280 507583996 /nfs/dbraw/zinc/58/39/96/507583996.db2.gz VSACHQLTOZVSQG-IBGZPJMESA-N 1 2 365.433 3.179 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602079726 507584178 /nfs/dbraw/zinc/58/41/78/507584178.db2.gz BKSDUKVPCKMJCJ-CQSZACIVSA-N 1 2 352.316 3.286 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000595610166 507588518 /nfs/dbraw/zinc/58/85/18/507588518.db2.gz SKZKVQANPZEDMP-DOTOQJQBSA-N 1 2 366.421 3.176 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000595610166 507588523 /nfs/dbraw/zinc/58/85/23/507588523.db2.gz SKZKVQANPZEDMP-DOTOQJQBSA-N 1 2 366.421 3.176 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000595622931 507597543 /nfs/dbraw/zinc/59/75/43/507597543.db2.gz BTCWGEYPAJMNCY-OLZOCXBDSA-N 1 2 360.763 3.385 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000595622931 507597548 /nfs/dbraw/zinc/59/75/48/507597548.db2.gz BTCWGEYPAJMNCY-OLZOCXBDSA-N 1 2 360.763 3.385 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595654347 507616306 /nfs/dbraw/zinc/61/63/06/507616306.db2.gz UMFBMAHVWLTRQB-ROUUACIJSA-N 1 2 351.454 3.039 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(CC(F)(F)F)CC2)C1=O ZINC000585755873 507616399 /nfs/dbraw/zinc/61/63/99/507616399.db2.gz SAWPDINMSSLPPO-ZDUSSCGKSA-N 1 2 357.401 3.389 20 30 FGEDLO Cc1ccc2oc(N3CC[NH+](Cc4cccc(C#N)c4F)CC3)nc2c1 ZINC000611371589 507646212 /nfs/dbraw/zinc/64/62/12/507646212.db2.gz YXMTWZCVTQGRIA-UHFFFAOYSA-N 1 2 350.397 3.469 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 ZINC000595726827 507650488 /nfs/dbraw/zinc/65/04/88/507650488.db2.gz RNJYQFIPIGRJDF-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)[nH+]c12 ZINC000586792418 507673824 /nfs/dbraw/zinc/67/38/24/507673824.db2.gz XXGIARKMBPJUTC-UHFFFAOYSA-N 1 2 362.408 3.044 20 30 FGEDLO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595769196 507675989 /nfs/dbraw/zinc/67/59/89/507675989.db2.gz SKPNQRXGMIWHFM-NRFANRHFSA-N 1 2 367.449 3.379 20 30 FGEDLO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595769196 507675992 /nfs/dbraw/zinc/67/59/92/507675992.db2.gz SKPNQRXGMIWHFM-NRFANRHFSA-N 1 2 367.449 3.379 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000592522499 507692628 /nfs/dbraw/zinc/69/26/28/507692628.db2.gz NTIZQRGMFHLDKB-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000592522499 507692634 /nfs/dbraw/zinc/69/26/34/507692634.db2.gz NTIZQRGMFHLDKB-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000611464834 507693443 /nfs/dbraw/zinc/69/34/43/507693443.db2.gz JYRWLFHCKRNUIH-GFCCVEGCSA-N 1 2 361.232 3.269 20 30 FGEDLO C[C@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473594 507697974 /nfs/dbraw/zinc/69/79/74/507697974.db2.gz WRNWJZSCMFZAIS-HTAPYJJXSA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473594 507697977 /nfs/dbraw/zinc/69/79/77/507697977.db2.gz WRNWJZSCMFZAIS-HTAPYJJXSA-N 1 2 367.468 3.375 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(C#N)n1 ZINC000602436160 507711527 /nfs/dbraw/zinc/71/15/27/507711527.db2.gz XRIQGABCELGZRN-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(C#N)n1 ZINC000602436160 507711528 /nfs/dbraw/zinc/71/15/28/507711528.db2.gz XRIQGABCELGZRN-UHFFFAOYSA-N 1 2 362.355 3.221 20 30 FGEDLO CC[N@H+](CCOc1ccccc1OC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000595888974 507728594 /nfs/dbraw/zinc/72/85/94/507728594.db2.gz WOZLCKCIQFSCKV-HXUWFJFHSA-N 1 2 368.433 3.182 20 30 FGEDLO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000595888974 507728599 /nfs/dbraw/zinc/72/85/99/507728599.db2.gz WOZLCKCIQFSCKV-HXUWFJFHSA-N 1 2 368.433 3.182 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CCO1 ZINC000330328537 568245194 /nfs/dbraw/zinc/24/51/94/568245194.db2.gz LTLLIUJOOXKNIR-KICYWODKSA-N 1 2 367.449 3.337 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379831 608399895 /nfs/dbraw/zinc/39/98/95/608399895.db2.gz DDPKMHBRYPFRKD-QZTJIDSGSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379831 608399896 /nfs/dbraw/zinc/39/98/96/608399896.db2.gz DDPKMHBRYPFRKD-QZTJIDSGSA-N 1 2 362.412 3.278 20 30 FGEDLO C=CC[N@H+](Cc1nc2c(s1)CCC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914189 608581751 /nfs/dbraw/zinc/58/17/51/608581751.db2.gz CXDDGIIEHLPHPM-UHFFFAOYSA-N 1 2 352.467 3.000 20 30 FGEDLO C=CC[N@@H+](Cc1nc2c(s1)CCC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914189 608581753 /nfs/dbraw/zinc/58/17/53/608581753.db2.gz CXDDGIIEHLPHPM-UHFFFAOYSA-N 1 2 352.467 3.000 20 30 FGEDLO C[C@@H](N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1)C(F)(F)F ZINC000093883387 700455487 /nfs/dbraw/zinc/45/54/87/700455487.db2.gz GSTIDOHGKTVSCD-OAHLLOKOSA-N 1 2 354.420 3.105 20 30 FGEDLO C=C(Br)C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000105453999 700501062 /nfs/dbraw/zinc/50/10/62/700501062.db2.gz UAPIZPDKOKXGRX-UHFFFAOYSA-N 1 2 365.065 3.465 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+](C[C@H]2CCOC2)C2CC2)nc1-c1ccco1 ZINC000123811001 700710301 /nfs/dbraw/zinc/71/03/01/700710301.db2.gz MLWBPTIIJIFUAM-CQSZACIVSA-N 1 2 360.483 3.318 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+](C[C@H]2CCOC2)C2CC2)nc1-c1ccco1 ZINC000123811001 700710302 /nfs/dbraw/zinc/71/03/02/700710302.db2.gz MLWBPTIIJIFUAM-CQSZACIVSA-N 1 2 360.483 3.318 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1-c1cnccn1 ZINC000152589074 704967013 /nfs/dbraw/zinc/96/70/13/704967013.db2.gz PYBGWRQMRCOECW-UHFFFAOYSA-N 1 2 356.499 3.422 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1-c1cnccn1 ZINC000152589074 704967014 /nfs/dbraw/zinc/96/70/14/704967014.db2.gz PYBGWRQMRCOECW-UHFFFAOYSA-N 1 2 356.499 3.422 20 30 FGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000182973809 705870995 /nfs/dbraw/zinc/87/09/95/705870995.db2.gz YLBMPAMWNIIUEP-MRXNPFEDSA-N 1 2 357.479 3.115 20 30 FGEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247256185 713638382 /nfs/dbraw/zinc/63/83/82/713638382.db2.gz XLCVBAFHOYZJMJ-PKOBYXMFSA-N 1 2 357.475 3.085 20 30 FGEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247256185 713638383 /nfs/dbraw/zinc/63/83/83/713638383.db2.gz XLCVBAFHOYZJMJ-PKOBYXMFSA-N 1 2 357.475 3.085 20 30 FGEDLO C[C@H](O)C1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329385573 713829244 /nfs/dbraw/zinc/82/92/44/713829244.db2.gz SBQDXHYBAAZLOT-KBPBESRZSA-N 1 2 366.531 3.013 20 30 FGEDLO C[C@H](O)C1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329385573 713829248 /nfs/dbraw/zinc/82/92/48/713829248.db2.gz SBQDXHYBAAZLOT-KBPBESRZSA-N 1 2 366.531 3.013 20 30 FGEDLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000617098430 714628796 /nfs/dbraw/zinc/62/87/96/714628796.db2.gz ZNCOZRCJCQDZTH-SJKOYZFVSA-N 1 2 354.479 3.083 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000619768150 714869524 /nfs/dbraw/zinc/86/95/24/714869524.db2.gz JIAXCRFUPRCMSM-UHFFFAOYSA-N 1 2 357.845 3.298 20 30 FGEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628183160 716121570 /nfs/dbraw/zinc/12/15/70/716121570.db2.gz SEIKOLNMEBSQAT-GFCCVEGCSA-N 1 2 361.257 3.266 20 30 FGEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628183160 716121575 /nfs/dbraw/zinc/12/15/75/716121575.db2.gz SEIKOLNMEBSQAT-GFCCVEGCSA-N 1 2 361.257 3.266 20 30 FGEDLO C#CC[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000792792885 723368451 /nfs/dbraw/zinc/36/84/51/723368451.db2.gz ODISVYJJJMXOOW-OAHLLOKOSA-N 1 2 374.333 3.438 20 30 FGEDLO C#CC[N@H+](CCCCc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000792792885 723368455 /nfs/dbraw/zinc/36/84/55/723368455.db2.gz ODISVYJJJMXOOW-OAHLLOKOSA-N 1 2 374.333 3.438 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754732 717112948 /nfs/dbraw/zinc/11/29/48/717112948.db2.gz JHPDBCVHVZNAMS-HIFRSBDPSA-N 1 2 358.454 3.007 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754732 717112951 /nfs/dbraw/zinc/11/29/51/717112951.db2.gz JHPDBCVHVZNAMS-HIFRSBDPSA-N 1 2 358.454 3.007 20 30 FGEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000636121376 717234611 /nfs/dbraw/zinc/23/46/11/717234611.db2.gz UVDSNULUSOCKCA-VIFPVBQESA-N 1 2 373.272 3.270 20 30 FGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420920 724514737 /nfs/dbraw/zinc/51/47/37/724514737.db2.gz PRWCFYKVCHXOCJ-JCGIZDLHSA-N 1 2 366.864 3.159 20 30 FGEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420920 724514741 /nfs/dbraw/zinc/51/47/41/724514741.db2.gz PRWCFYKVCHXOCJ-JCGIZDLHSA-N 1 2 366.864 3.159 20 30 FGEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804499741 724522741 /nfs/dbraw/zinc/52/27/41/724522741.db2.gz MDVQIMOVHHLHFX-JSGCOSHPSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804499741 724522746 /nfs/dbraw/zinc/52/27/46/724522746.db2.gz MDVQIMOVHHLHFX-JSGCOSHPSA-N 1 2 362.886 3.370 20 30 FGEDLO C[N@H+](CC(F)F)C1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000804536714 724526165 /nfs/dbraw/zinc/52/61/65/724526165.db2.gz ZYRHCNPRZIEXHM-UHFFFAOYSA-N 1 2 353.804 3.025 20 30 FGEDLO C[N@@H+](CC(F)F)C1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000804536714 724526171 /nfs/dbraw/zinc/52/61/71/724526171.db2.gz ZYRHCNPRZIEXHM-UHFFFAOYSA-N 1 2 353.804 3.025 20 30 FGEDLO C=CCCn1cc(C[NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)nn1 ZINC000657317026 719624260 /nfs/dbraw/zinc/62/42/60/719624260.db2.gz YWZVMWFLJJGPLJ-UHFFFAOYSA-N 1 2 350.850 3.205 20 30 FGEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1SC(F)(F)F ZINC000760942720 723107085 /nfs/dbraw/zinc/10/70/85/723107085.db2.gz CUNLZDVQNXYHNC-UHFFFAOYSA-N 1 2 359.417 3.338 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1=S ZINC000790455766 723142094 /nfs/dbraw/zinc/14/20/94/723142094.db2.gz MARNGDHJVVGHTA-HNNXBMFYSA-N 1 2 356.495 3.012 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1=S ZINC000790455766 723142095 /nfs/dbraw/zinc/14/20/95/723142095.db2.gz MARNGDHJVVGHTA-HNNXBMFYSA-N 1 2 356.495 3.012 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790455767 723142220 /nfs/dbraw/zinc/14/22/20/723142220.db2.gz MARNGDHJVVGHTA-OAHLLOKOSA-N 1 2 356.495 3.012 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790455767 723142223 /nfs/dbraw/zinc/14/22/23/723142223.db2.gz MARNGDHJVVGHTA-OAHLLOKOSA-N 1 2 356.495 3.012 20 30 FGEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544171 723941431 /nfs/dbraw/zinc/94/14/31/723941431.db2.gz FDOIOBDQGIGLHW-ULQDDVLXSA-N 1 2 351.853 3.181 20 30 FGEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544171 723941433 /nfs/dbraw/zinc/94/14/33/723941433.db2.gz FDOIOBDQGIGLHW-ULQDDVLXSA-N 1 2 351.853 3.181 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128120 723990055 /nfs/dbraw/zinc/99/00/55/723990055.db2.gz NCEPJXNZRCOJCO-CVEARBPZSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128120 723990056 /nfs/dbraw/zinc/99/00/56/723990056.db2.gz NCEPJXNZRCOJCO-CVEARBPZSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)nn1C)Cc1ccc(OC)cc1 ZINC000787125837 725017176 /nfs/dbraw/zinc/01/71/76/725017176.db2.gz QFQUMNDEKFCIID-UHFFFAOYSA-N 1 2 350.260 3.379 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)nn1C)Cc1ccc(OC)cc1 ZINC000787125837 725017178 /nfs/dbraw/zinc/01/71/78/725017178.db2.gz QFQUMNDEKFCIID-UHFFFAOYSA-N 1 2 350.260 3.379 20 30 FGEDLO Cc1cc(Br)cn2c(C=CC(=O)c3cc[nH]c(=O)c3)c[nH+]c12 ZINC000806555540 725133096 /nfs/dbraw/zinc/13/30/96/725133096.db2.gz UHBHJDDZRQIVSS-NSCUHMNNSA-N 1 2 358.195 3.402 20 30 FGEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811455534 725366338 /nfs/dbraw/zinc/36/63/38/725366338.db2.gz KVZYAFPKUULDMC-AWEZNQCLSA-N 1 2 355.360 3.288 20 30 FGEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811455534 725366339 /nfs/dbraw/zinc/36/63/39/725366339.db2.gz KVZYAFPKUULDMC-AWEZNQCLSA-N 1 2 355.360 3.288 20 30 FGEDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000811462574 725367048 /nfs/dbraw/zinc/36/70/48/725367048.db2.gz ZKFKCQVFHLLEEM-LBPRGKRZSA-N 1 2 350.488 3.140 20 30 FGEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000822441880 729175609 /nfs/dbraw/zinc/17/56/09/729175609.db2.gz OTQFSYFMZCHENL-UHFFFAOYSA-N 1 2 356.388 3.442 20 30 FGEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000825017558 729367897 /nfs/dbraw/zinc/36/78/97/729367897.db2.gz UQVNDDQJRQYQMJ-DOMZBBRYSA-N 1 2 360.255 3.453 20 30 FGEDLO C#Cc1cnc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)nc1 ZINC000827686364 729433398 /nfs/dbraw/zinc/43/33/98/729433398.db2.gz ZAYMCWBAINWELR-AWEZNQCLSA-N 1 2 371.282 3.104 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C#Cc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827709221 729433648 /nfs/dbraw/zinc/43/36/48/729433648.db2.gz UYVNPNUGCMDYSR-WMZOPIPTSA-N 1 2 362.857 3.454 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C#Cc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827709221 729433649 /nfs/dbraw/zinc/43/36/49/729433649.db2.gz UYVNPNUGCMDYSR-WMZOPIPTSA-N 1 2 362.857 3.454 20 30 FGEDLO COC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745073 729729411 /nfs/dbraw/zinc/72/94/11/729729411.db2.gz IJMCGMZGALMYEY-LSDHHAIUSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745073 729729413 /nfs/dbraw/zinc/72/94/13/729729413.db2.gz IJMCGMZGALMYEY-LSDHHAIUSA-N 1 2 357.479 3.221 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)c(Br)c2C)CC1 ZINC000877565876 736685296 /nfs/dbraw/zinc/68/52/96/736685296.db2.gz AHMOWVDNWLNGRL-UHFFFAOYSA-N 1 2 365.271 3.345 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC=C)c2=S)C1 ZINC000842627399 730521183 /nfs/dbraw/zinc/52/11/83/730521183.db2.gz HNDSYOSFVOSZKT-MRXNPFEDSA-N 1 2 353.495 3.355 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC=C)c2=S)C1 ZINC000842627399 730521189 /nfs/dbraw/zinc/52/11/89/730521189.db2.gz HNDSYOSFVOSZKT-MRXNPFEDSA-N 1 2 353.495 3.355 20 30 FGEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425330 730619296 /nfs/dbraw/zinc/61/92/96/730619296.db2.gz LCAGIRXAPVSSKO-LJQANCHMSA-N 1 2 358.873 3.301 20 30 FGEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425330 730619297 /nfs/dbraw/zinc/61/92/97/730619297.db2.gz LCAGIRXAPVSSKO-LJQANCHMSA-N 1 2 358.873 3.301 20 30 FGEDLO Cn1c(C=NNCCCn2cc[nH+]c2)c(Br)c2ccccc21 ZINC000853372189 731698902 /nfs/dbraw/zinc/69/89/02/731698902.db2.gz JOPQYNOUIAXGPO-UHFFFAOYSA-N 1 2 360.259 3.151 20 30 FGEDLO CC1CCN(C(=O)C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000876621807 736123058 /nfs/dbraw/zinc/12/30/58/736123058.db2.gz JALRSVWGTMQIMT-UHFFFAOYSA-N 1 2 360.889 3.077 20 30 FGEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877459443 736222451 /nfs/dbraw/zinc/22/24/51/736222451.db2.gz JFMWCNVRAGZAGM-UHFFFAOYSA-N 1 2 364.877 3.486 20 30 FGEDLO N#CC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000895279164 742395097 /nfs/dbraw/zinc/39/50/97/742395097.db2.gz GLBJJAPXJZXYFK-UHFFFAOYSA-N 1 2 354.907 3.197 20 30 FGEDLO CSc1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1C#N ZINC000899376164 742914351 /nfs/dbraw/zinc/91/43/51/742914351.db2.gz IYBZOWVXWSXXPE-CQSZACIVSA-N 1 2 368.384 3.287 20 30 FGEDLO C/C(=C\C(=O)Nc1ccccc1SC[C@H](C)C#N)C[NH+]1CCOCC1 ZINC000900631236 743140490 /nfs/dbraw/zinc/14/04/90/743140490.db2.gz YUJBVPJOBYKHLX-RBFDBLARSA-N 1 2 359.495 3.155 20 30 FGEDLO N#CC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCSCC1 ZINC000903984171 743908655 /nfs/dbraw/zinc/90/86/55/743908655.db2.gz YLUQBZGPPMINNK-UHFFFAOYSA-N 1 2 351.435 3.270 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000950593872 762442643 /nfs/dbraw/zinc/44/26/43/762442643.db2.gz NQFYAJHWDAFITM-QRQLOZEOSA-N 1 2 360.885 3.063 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2csc(C)c2)C1 ZINC000952429474 762523727 /nfs/dbraw/zinc/52/37/27/762523727.db2.gz OPJUVWDIDYKXGL-OALUTQOASA-N 1 2 362.539 3.461 20 30 FGEDLO N#Cc1sc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)nc1Cl ZINC000931724809 760943656 /nfs/dbraw/zinc/94/36/56/760943656.db2.gz NVFYVOVEWGZCOM-UHFFFAOYSA-N 1 2 362.846 3.172 20 30 FGEDLO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940480 761279827 /nfs/dbraw/zinc/27/98/27/761279827.db2.gz PVLDMJGPXQNXDT-DTORHVGOSA-N 1 2 363.252 3.023 20 30 FGEDLO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940480 761279834 /nfs/dbraw/zinc/27/98/34/761279834.db2.gz PVLDMJGPXQNXDT-DTORHVGOSA-N 1 2 363.252 3.023 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717827 761463669 /nfs/dbraw/zinc/46/36/69/761463669.db2.gz RKBZFSPVIGSWRX-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717827 761463673 /nfs/dbraw/zinc/46/36/73/761463673.db2.gz RKBZFSPVIGSWRX-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934788431 761719090 /nfs/dbraw/zinc/71/90/90/761719090.db2.gz LVYHVKVKWAHBQO-APHBMKBZSA-N 1 2 372.412 3.061 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934788431 761719094 /nfs/dbraw/zinc/71/90/94/761719094.db2.gz LVYHVKVKWAHBQO-APHBMKBZSA-N 1 2 372.412 3.061 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC000970195941 762870382 /nfs/dbraw/zinc/87/03/82/762870382.db2.gz UFVKNJVIYBXURP-MDASCCDHSA-N 1 2 361.917 3.045 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC000970448097 762876368 /nfs/dbraw/zinc/87/63/68/762876368.db2.gz VRWKSDNEZRTXFA-VMGRFDJRSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000971572823 762914764 /nfs/dbraw/zinc/91/47/64/762914764.db2.gz OIWHBKFKXJUFGS-FXUDXRNXSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000971572823 762914766 /nfs/dbraw/zinc/91/47/66/762914766.db2.gz OIWHBKFKXJUFGS-FXUDXRNXSA-N 1 2 353.304 3.030 20 30 FGEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1C1CC1 ZINC001003774714 765401569 /nfs/dbraw/zinc/40/15/69/765401569.db2.gz LYRWUDBKKNMGEU-RBUKOAKNSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001006126429 765511655 /nfs/dbraw/zinc/51/16/55/765511655.db2.gz FBZCFAZOUZZOGP-UPUWXQQRSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001008557222 765675083 /nfs/dbraw/zinc/67/50/83/765675083.db2.gz BGMIRCAZOKWCKT-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001008557222 765675089 /nfs/dbraw/zinc/67/50/89/765675089.db2.gz BGMIRCAZOKWCKT-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001008558605 765675774 /nfs/dbraw/zinc/67/57/74/765675774.db2.gz KKTCVXKBRXIBOP-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001008558605 765675776 /nfs/dbraw/zinc/67/57/76/765675776.db2.gz KKTCVXKBRXIBOP-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008824669 765708059 /nfs/dbraw/zinc/70/80/59/765708059.db2.gz MQYNTEKTJVVGND-HSALFYBXSA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008824669 765708069 /nfs/dbraw/zinc/70/80/69/765708069.db2.gz MQYNTEKTJVVGND-HSALFYBXSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001024701753 766062363 /nfs/dbraw/zinc/06/23/63/766062363.db2.gz JKBZZIDHPGJLCE-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001024701753 766062377 /nfs/dbraw/zinc/06/23/77/766062377.db2.gz JKBZZIDHPGJLCE-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001028855453 766137147 /nfs/dbraw/zinc/13/71/47/766137147.db2.gz DBZWVOSEQGBFRP-QHSLEDSSSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001028855453 766137149 /nfs/dbraw/zinc/13/71/49/766137149.db2.gz DBZWVOSEQGBFRP-QHSLEDSSSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033293536 766214083 /nfs/dbraw/zinc/21/40/83/766214083.db2.gz XWWFXMOATZZAQA-XUWVNRHRSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033293536 766214084 /nfs/dbraw/zinc/21/40/84/766214084.db2.gz XWWFXMOATZZAQA-XUWVNRHRSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001033432367 766215050 /nfs/dbraw/zinc/21/50/50/766215050.db2.gz NTPOQCXGRFDMCL-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001033432367 766215052 /nfs/dbraw/zinc/21/50/52/766215052.db2.gz NTPOQCXGRFDMCL-JZXOWHBKSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001034439971 766242430 /nfs/dbraw/zinc/24/24/30/766242430.db2.gz RYQUVBGKXYEBDK-WCZBVOBVSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001034439971 766242432 /nfs/dbraw/zinc/24/24/32/766242432.db2.gz RYQUVBGKXYEBDK-WCZBVOBVSA-N 1 2 361.313 3.257 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(C#N)s1 ZINC000359902031 210196321 /nfs/dbraw/zinc/19/63/21/210196321.db2.gz RBACIBOCKHNHSI-ZJUUUORDSA-N 1 2 355.389 3.187 20 30 FGEDLO CCOc1ccccc1NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754419 212033957 /nfs/dbraw/zinc/03/39/57/212033957.db2.gz HBGQOGUTDSWEBS-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO CCOc1ccccc1NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754419 212033960 /nfs/dbraw/zinc/03/39/60/212033960.db2.gz HBGQOGUTDSWEBS-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@@H](C)C#N ZINC000072031585 221398658 /nfs/dbraw/zinc/39/86/58/221398658.db2.gz XKEJFICURDWHPZ-HRAATJIYSA-N 1 2 373.497 3.143 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@@H](C)C#N ZINC000072031585 221398660 /nfs/dbraw/zinc/39/86/60/221398660.db2.gz XKEJFICURDWHPZ-HRAATJIYSA-N 1 2 373.497 3.143 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943276 132302279 /nfs/dbraw/zinc/30/22/79/132302279.db2.gz FPCBIJYTIHEQSD-UHFFFAOYSA-N 1 2 350.466 3.448 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)cc1 ZINC000046315457 136122284 /nfs/dbraw/zinc/12/22/84/136122284.db2.gz JUOVCBVHTSVRBF-UHFFFAOYSA-N 1 2 368.440 3.446 20 30 FGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])nc1C ZINC000567987620 505590694 /nfs/dbraw/zinc/59/06/94/505590694.db2.gz HGBNELHXXOSQEU-NSHDSACASA-N 1 2 374.422 3.259 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000579692243 505603587 /nfs/dbraw/zinc/60/35/87/505603587.db2.gz XFVYWWULDGJXAO-YSGRDPCXSA-N 1 2 363.465 3.425 20 30 FGEDLO COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2[nH+]ccn2C)cc1 ZINC000028620448 493794560 /nfs/dbraw/zinc/79/45/60/493794560.db2.gz KPYSUUDXSSCYRP-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 ZINC000057907536 493814341 /nfs/dbraw/zinc/81/43/41/493814341.db2.gz WMYMXRILTYMOQM-MRXNPFEDSA-N 1 2 368.462 3.254 20 30 FGEDLO CSc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000029226057 493827196 /nfs/dbraw/zinc/82/71/96/493827196.db2.gz VREOFDZLGGQEHK-UHFFFAOYSA-N 1 2 354.479 3.468 20 30 FGEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857838 493862374 /nfs/dbraw/zinc/86/23/74/493862374.db2.gz CFPPKIGYKPPDSJ-KRWDZBQOSA-N 1 2 374.504 3.150 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2nccn2C)c1 ZINC000030648646 493902899 /nfs/dbraw/zinc/90/28/99/493902899.db2.gz LSCQXAGGJLFSAG-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO Cc1csc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000568410842 505687765 /nfs/dbraw/zinc/68/77/65/505687765.db2.gz ZQPABUKBRJUTPW-AWEZNQCLSA-N 1 2 355.467 3.234 20 30 FGEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCCCC1 ZINC000050231501 493906049 /nfs/dbraw/zinc/90/60/49/493906049.db2.gz QAABFIAXFBWUCA-IBGZPJMESA-N 1 2 373.472 3.149 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCCCC1 ZINC000050231501 493906051 /nfs/dbraw/zinc/90/60/51/493906051.db2.gz QAABFIAXFBWUCA-IBGZPJMESA-N 1 2 373.472 3.149 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512875 493907733 /nfs/dbraw/zinc/90/77/33/493907733.db2.gz VLSRNUBXYJSDIJ-UHFFFAOYSA-N 1 2 367.474 3.114 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512875 493907737 /nfs/dbraw/zinc/90/77/37/493907737.db2.gz VLSRNUBXYJSDIJ-UHFFFAOYSA-N 1 2 367.474 3.114 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000069064746 493914114 /nfs/dbraw/zinc/91/41/14/493914114.db2.gz GIIFBVSSBCOBBW-LBPRGKRZSA-N 1 2 370.266 3.028 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000069064746 493914116 /nfs/dbraw/zinc/91/41/16/493914116.db2.gz GIIFBVSSBCOBBW-LBPRGKRZSA-N 1 2 370.266 3.028 20 30 FGEDLO N#Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1F ZINC000076880543 493984251 /nfs/dbraw/zinc/98/42/51/493984251.db2.gz BMILRVDIJBAZCM-SFHVURJKSA-N 1 2 355.438 3.426 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000083243620 494013206 /nfs/dbraw/zinc/01/32/06/494013206.db2.gz JSCBADZEBHMTIE-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000083243620 494013211 /nfs/dbraw/zinc/01/32/11/494013211.db2.gz JSCBADZEBHMTIE-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO CCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000083595994 494026336 /nfs/dbraw/zinc/02/63/36/494026336.db2.gz UXFKCCFOIUPCTK-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO CCOc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)nc1 ZINC000083595994 494026338 /nfs/dbraw/zinc/02/63/38/494026338.db2.gz UXFKCCFOIUPCTK-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(COC)c1)Cc1cccc(C#N)c1 ZINC000063299962 494042555 /nfs/dbraw/zinc/04/25/55/494042555.db2.gz LHTCWNKHMPFYHY-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cccc(COC)c1)Cc1cccc(C#N)c1 ZINC000063299962 494042560 /nfs/dbraw/zinc/04/25/60/494042560.db2.gz LHTCWNKHMPFYHY-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000007855096 494047406 /nfs/dbraw/zinc/04/74/06/494047406.db2.gz RXGFEJXFUGMLBS-QGZVFWFLSA-N 1 2 354.479 3.416 20 30 FGEDLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000007855096 494047409 /nfs/dbraw/zinc/04/74/09/494047409.db2.gz RXGFEJXFUGMLBS-QGZVFWFLSA-N 1 2 354.479 3.416 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381248 494049649 /nfs/dbraw/zinc/04/96/49/494049649.db2.gz POIPVEGXTHDODY-UHFFFAOYSA-N 1 2 359.451 3.303 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381248 494049654 /nfs/dbraw/zinc/04/96/54/494049654.db2.gz POIPVEGXTHDODY-UHFFFAOYSA-N 1 2 359.451 3.303 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799754 494062002 /nfs/dbraw/zinc/06/20/02/494062002.db2.gz QKWIDIIPMMVLOI-INIZCTEOSA-N 1 2 373.460 3.068 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799754 494062005 /nfs/dbraw/zinc/06/20/05/494062005.db2.gz QKWIDIIPMMVLOI-INIZCTEOSA-N 1 2 373.460 3.068 20 30 FGEDLO COCC[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)cc1 ZINC000063753884 494084046 /nfs/dbraw/zinc/08/40/46/494084046.db2.gz MZRAZJURPQBUGN-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COCC[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C#N)cc1 ZINC000063753884 494084050 /nfs/dbraw/zinc/08/40/50/494084050.db2.gz MZRAZJURPQBUGN-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754346 494084675 /nfs/dbraw/zinc/08/46/75/494084675.db2.gz FKBWGQHWNRTWLE-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754346 494084678 /nfs/dbraw/zinc/08/46/78/494084678.db2.gz FKBWGQHWNRTWLE-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000072482766 494183876 /nfs/dbraw/zinc/18/38/76/494183876.db2.gz NRZARBRYLFQDIL-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000072692841 494235267 /nfs/dbraw/zinc/23/52/67/494235267.db2.gz QVYRDLOSSVCXSU-UHFFFAOYSA-N 1 2 359.470 3.438 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000072692841 494235271 /nfs/dbraw/zinc/23/52/71/494235271.db2.gz QVYRDLOSSVCXSU-UHFFFAOYSA-N 1 2 359.470 3.438 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560797 494354959 /nfs/dbraw/zinc/35/49/59/494354959.db2.gz UXAHUYPGHKTULL-QGZVFWFLSA-N 1 2 358.463 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560797 494354963 /nfs/dbraw/zinc/35/49/63/494354963.db2.gz UXAHUYPGHKTULL-QGZVFWFLSA-N 1 2 358.463 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CCS(=O)(=O)C1 ZINC000066559806 494354997 /nfs/dbraw/zinc/35/49/97/494354997.db2.gz RPKNWEFABZTQSG-AWEZNQCLSA-N 1 2 350.871 3.063 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CCS(=O)(=O)C1 ZINC000066559806 494355002 /nfs/dbraw/zinc/35/50/02/494355002.db2.gz RPKNWEFABZTQSG-AWEZNQCLSA-N 1 2 350.871 3.063 20 30 FGEDLO Cc1ncsc1C[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000066563320 494356147 /nfs/dbraw/zinc/35/61/47/494356147.db2.gz YTMDTNWRXCRNRQ-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000066563320 494356149 /nfs/dbraw/zinc/35/61/49/494356149.db2.gz YTMDTNWRXCRNRQ-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1Cl ZINC000079217122 494419731 /nfs/dbraw/zinc/41/97/31/494419731.db2.gz QHVJACUJKDGFLJ-UHFFFAOYSA-N 1 2 352.785 3.114 20 30 FGEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCc2ccccc2C1 ZINC000079298357 494432578 /nfs/dbraw/zinc/43/25/78/494432578.db2.gz QVBARNBGEPUVOZ-XMMPIXPASA-N 1 2 373.500 3.398 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1-c1ccccc1 ZINC000571380858 505719409 /nfs/dbraw/zinc/71/94/09/505719409.db2.gz HZKYLSBMMGWWKZ-QGZVFWFLSA-N 1 2 374.448 3.207 20 30 FGEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccco1 ZINC000046062010 494492587 /nfs/dbraw/zinc/49/25/87/494492587.db2.gz FOBDQXSZLJIABY-UHFFFAOYSA-N 1 2 369.465 3.292 20 30 FGEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccco1 ZINC000046062010 494492591 /nfs/dbraw/zinc/49/25/91/494492591.db2.gz FOBDQXSZLJIABY-UHFFFAOYSA-N 1 2 369.465 3.292 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091047407 494518623 /nfs/dbraw/zinc/51/86/23/494518623.db2.gz SPPVGHQLVKYKCS-RDJZCZTQSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091047407 494518626 /nfs/dbraw/zinc/51/86/26/494518626.db2.gz SPPVGHQLVKYKCS-RDJZCZTQSA-N 1 2 360.820 3.244 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000024016572 494595829 /nfs/dbraw/zinc/59/58/29/494595829.db2.gz IWUJIIXXASUFJO-HXUWFJFHSA-N 1 2 362.408 3.269 20 30 FGEDLO C=CC[N@@H+](Cc1cc(C)c(OC(F)F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361170 494605273 /nfs/dbraw/zinc/60/52/73/494605273.db2.gz UXXXLRRVRFSZMG-HNNXBMFYSA-N 1 2 359.438 3.080 20 30 FGEDLO C=CC[N@H+](Cc1cc(C)c(OC(F)F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361170 494605280 /nfs/dbraw/zinc/60/52/80/494605280.db2.gz UXXXLRRVRFSZMG-HNNXBMFYSA-N 1 2 359.438 3.080 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000131470288 494629137 /nfs/dbraw/zinc/62/91/37/494629137.db2.gz JVDLJCFCAYGMFL-HZPDHXFCSA-N 1 2 371.462 3.302 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000131470288 494629148 /nfs/dbraw/zinc/62/91/48/494629148.db2.gz JVDLJCFCAYGMFL-HZPDHXFCSA-N 1 2 371.462 3.302 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1csc(Br)c1 ZINC000115822202 494631313 /nfs/dbraw/zinc/63/13/13/494631313.db2.gz MAQTYEODHINYPP-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1csc(Br)c1 ZINC000115822202 494631320 /nfs/dbraw/zinc/63/13/20/494631320.db2.gz MAQTYEODHINYPP-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO CC(C)[N@@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574261528 505733159 /nfs/dbraw/zinc/73/31/59/505733159.db2.gz HPFSDVXDNXKCDZ-PKOBYXMFSA-N 1 2 373.863 3.454 20 30 FGEDLO CC(C)[N@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574261528 505733163 /nfs/dbraw/zinc/73/31/63/505733163.db2.gz HPFSDVXDNXKCDZ-PKOBYXMFSA-N 1 2 373.863 3.454 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3ccco3)C1)CCC2 ZINC000121255559 494669325 /nfs/dbraw/zinc/66/93/25/494669325.db2.gz QIPJQPJIFPUYIX-INIZCTEOSA-N 1 2 371.462 3.104 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3ccco3)C1)CCC2 ZINC000121255559 494669338 /nfs/dbraw/zinc/66/93/38/494669338.db2.gz QIPJQPJIFPUYIX-INIZCTEOSA-N 1 2 371.462 3.104 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCCCC#N ZINC000121272919 494676591 /nfs/dbraw/zinc/67/65/91/494676591.db2.gz TZTNVDLCQQEURR-QGZVFWFLSA-N 1 2 354.454 3.480 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OCCCC#N ZINC000121272919 494676593 /nfs/dbraw/zinc/67/65/93/494676593.db2.gz TZTNVDLCQQEURR-QGZVFWFLSA-N 1 2 354.454 3.480 20 30 FGEDLO COCCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092612827 494685849 /nfs/dbraw/zinc/68/58/49/494685849.db2.gz XWDPUQIEHJHKPL-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000108638903 494753095 /nfs/dbraw/zinc/75/30/95/494753095.db2.gz YCDPEUNXFRNXMA-UHFFFAOYSA-N 1 2 372.837 3.413 20 30 FGEDLO N#CCN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000092936436 494791585 /nfs/dbraw/zinc/79/15/85/494791585.db2.gz HKADITMIZVWALU-UHFFFAOYSA-N 1 2 363.490 3.242 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@H](C#N)C4CC4)cc3)cn2c1 ZINC000108828063 494793636 /nfs/dbraw/zinc/79/36/36/494793636.db2.gz GPCXPWRXEHCDKR-LJQANCHMSA-N 1 2 360.417 3.254 20 30 FGEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1OCCc2ccccc21 ZINC000075681571 494814649 /nfs/dbraw/zinc/81/46/49/494814649.db2.gz WZOLMNXMHBKHDM-IBGZPJMESA-N 1 2 360.417 3.354 20 30 FGEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1OCCc2ccccc21 ZINC000075681571 494814656 /nfs/dbraw/zinc/81/46/56/494814656.db2.gz WZOLMNXMHBKHDM-IBGZPJMESA-N 1 2 360.417 3.354 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccccc4Cl)C3)n2c1 ZINC000093080874 494823871 /nfs/dbraw/zinc/82/38/71/494823871.db2.gz XZWUJLYLNYGBLC-GOSISDBHSA-N 1 2 352.825 3.433 20 30 FGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000026866945 494842169 /nfs/dbraw/zinc/84/21/69/494842169.db2.gz DKYZMZFXOPZFHT-INIZCTEOSA-N 1 2 350.422 3.345 20 30 FGEDLO Cc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)o1 ZINC000121792192 494861880 /nfs/dbraw/zinc/86/18/80/494861880.db2.gz RJYZNHWYYFSPDQ-PPRFWAEMSA-N 1 2 365.433 3.334 20 30 FGEDLO N#Cc1cc(Br)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000121829368 494869561 /nfs/dbraw/zinc/86/95/61/494869561.db2.gz QHOKPGDGAKMTHM-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000127012509 494880062 /nfs/dbraw/zinc/88/00/62/494880062.db2.gz WAIVGHLKSLQSTA-GOSISDBHSA-N 1 2 365.477 3.174 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1nc2ccccc2n1C ZINC000127012509 494880070 /nfs/dbraw/zinc/88/00/70/494880070.db2.gz WAIVGHLKSLQSTA-GOSISDBHSA-N 1 2 365.477 3.174 20 30 FGEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000121946453 494896975 /nfs/dbraw/zinc/89/69/75/494896975.db2.gz QNFHZVYJGHBXNJ-UHFFFAOYSA-N 1 2 350.466 3.082 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000132778961 494922991 /nfs/dbraw/zinc/92/29/91/494922991.db2.gz ZGWJDQKZQVOZOT-UHFFFAOYSA-N 1 2 373.416 3.254 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000110116417 494949676 /nfs/dbraw/zinc/94/96/76/494949676.db2.gz QPELELDYYNGUSB-GOSISDBHSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000110116417 494949678 /nfs/dbraw/zinc/94/96/78/494949678.db2.gz QPELELDYYNGUSB-GOSISDBHSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000128220293 495063554 /nfs/dbraw/zinc/06/35/54/495063554.db2.gz PWVFSQALCVCRFR-MRXNPFEDSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000128220293 495063556 /nfs/dbraw/zinc/06/35/56/495063556.db2.gz PWVFSQALCVCRFR-MRXNPFEDSA-N 1 2 355.825 3.303 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000134512524 495161148 /nfs/dbraw/zinc/16/11/48/495161148.db2.gz FKCXRZQHGUNFPF-IERDGZPVSA-N 1 2 357.498 3.276 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000134512524 495161153 /nfs/dbraw/zinc/16/11/53/495161153.db2.gz FKCXRZQHGUNFPF-IERDGZPVSA-N 1 2 357.498 3.276 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)s1 ZINC000119563613 495191816 /nfs/dbraw/zinc/19/18/16/495191816.db2.gz TVUKPDAGKDVUSO-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO N#Cc1cc(F)ccc1CN1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000103139191 495196995 /nfs/dbraw/zinc/19/69/95/495196995.db2.gz KOSCJLCMZVWHLZ-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO N#Cc1cc(F)ccc1CN1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000103139191 495196996 /nfs/dbraw/zinc/19/69/96/495196996.db2.gz KOSCJLCMZVWHLZ-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103140614 495198525 /nfs/dbraw/zinc/19/85/25/495198525.db2.gz MCXQXLAEFKQMNW-UHFFFAOYSA-N 1 2 351.425 3.400 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000119667468 495214219 /nfs/dbraw/zinc/21/42/19/495214219.db2.gz KBNCGTIZQFNNOS-UHFFFAOYSA-N 1 2 365.418 3.062 20 30 FGEDLO Cc1cc(C)nc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000124254186 495258788 /nfs/dbraw/zinc/25/87/88/495258788.db2.gz VPMMFIPGWPAZBE-UHFFFAOYSA-N 1 2 374.410 3.286 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129554199 495261286 /nfs/dbraw/zinc/26/12/86/495261286.db2.gz LBEICZUKHJZLFR-HZPDHXFCSA-N 1 2 369.490 3.292 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000129554657 495261398 /nfs/dbraw/zinc/26/13/98/495261398.db2.gz LBEICZUKHJZLFR-CVEARBPZSA-N 1 2 369.490 3.292 20 30 FGEDLO COc1ccc([C@H](CO)[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000119970275 495279837 /nfs/dbraw/zinc/27/98/37/495279837.db2.gz INDWJMASFDALBR-IBGZPJMESA-N 1 2 363.417 3.387 20 30 FGEDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000119970275 495279843 /nfs/dbraw/zinc/27/98/43/495279843.db2.gz INDWJMASFDALBR-IBGZPJMESA-N 1 2 363.417 3.387 20 30 FGEDLO Cc1ccc2oc(N3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)nc2c1 ZINC000120010198 495288234 /nfs/dbraw/zinc/28/82/34/495288234.db2.gz DBBWBZGRFAEOOU-UHFFFAOYSA-N 1 2 350.397 3.469 20 30 FGEDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716597 495300003 /nfs/dbraw/zinc/30/00/03/495300003.db2.gz PGTAMYDIVUIJKV-UHFFFAOYSA-N 1 2 369.490 3.088 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000113640930 495324484 /nfs/dbraw/zinc/32/44/84/495324484.db2.gz ULIAFPIYCIQBBX-UHFFFAOYSA-N 1 2 366.465 3.406 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105302537 495354349 /nfs/dbraw/zinc/35/43/49/495354349.db2.gz QGAWVHSYFYIVRG-ZIAGYGMSSA-N 1 2 371.934 3.208 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000124916729 495363855 /nfs/dbraw/zinc/36/38/55/495363855.db2.gz SOPPFGQPOHZPPC-OALUTQOASA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000124916729 495363860 /nfs/dbraw/zinc/36/38/60/495363860.db2.gz SOPPFGQPOHZPPC-OALUTQOASA-N 1 2 370.403 3.081 20 30 FGEDLO O=C(c1ccccc1F)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000125075354 495386826 /nfs/dbraw/zinc/38/68/26/495386826.db2.gz XLQKMAZZYIXONG-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO O=C(c1ccccc1F)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000125075354 495386827 /nfs/dbraw/zinc/38/68/27/495386827.db2.gz XLQKMAZZYIXONG-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO CCOc1ccccc1NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000137673653 495448662 /nfs/dbraw/zinc/44/86/62/495448662.db2.gz RHTCKMNUHNOAME-UHFFFAOYSA-N 1 2 352.438 3.225 20 30 FGEDLO CCOc1ccccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000137673653 495448664 /nfs/dbraw/zinc/44/86/64/495448664.db2.gz RHTCKMNUHNOAME-UHFFFAOYSA-N 1 2 352.438 3.225 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000158632999 495555354 /nfs/dbraw/zinc/55/53/54/495555354.db2.gz TXPGBVLAOMYAMD-UHFFFAOYSA-N 1 2 352.413 3.483 20 30 FGEDLO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000154623535 495675754 /nfs/dbraw/zinc/67/57/54/495675754.db2.gz AUVFXWFVXGLSAZ-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000154623535 495675757 /nfs/dbraw/zinc/67/57/57/495675757.db2.gz AUVFXWFVXGLSAZ-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C2CC2)no1 ZINC000179821252 495748883 /nfs/dbraw/zinc/74/88/83/495748883.db2.gz PUTXMHDDJGKZEW-MRXNPFEDSA-N 1 2 373.844 3.397 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179981772 495809925 /nfs/dbraw/zinc/80/99/25/495809925.db2.gz VBKDNGAUIFXHPE-CYBMUJFWSA-N 1 2 373.416 3.344 20 30 FGEDLO N#CCC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000151423575 495835394 /nfs/dbraw/zinc/83/53/94/495835394.db2.gz FNUXMGMOHLTJGN-MOPGFXCFSA-N 1 2 350.422 3.289 20 30 FGEDLO C[C@@H](C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CS(C)(=O)=O ZINC000176970292 495863405 /nfs/dbraw/zinc/86/34/05/495863405.db2.gz LAUVATUCSMQACG-INIZCTEOSA-N 1 2 374.481 3.380 20 30 FGEDLO C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CS(C)(=O)=O ZINC000176970292 495863410 /nfs/dbraw/zinc/86/34/10/495863410.db2.gz LAUVATUCSMQACG-INIZCTEOSA-N 1 2 374.481 3.380 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccc(Cl)cc4)C3)n2c1 ZINC000155240588 495887929 /nfs/dbraw/zinc/88/79/29/495887929.db2.gz GGKIWLCUQWAVRL-SFHVURJKSA-N 1 2 352.825 3.433 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000177025595 495889024 /nfs/dbraw/zinc/88/90/24/495889024.db2.gz FNLZBAKRFYGKLY-OAQYLSRUSA-N 1 2 363.461 3.373 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177044649 495898781 /nfs/dbraw/zinc/89/87/81/495898781.db2.gz QTCKJFOQUSZUNC-NQIIRXRSSA-N 1 2 367.497 3.248 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177044649 495898784 /nfs/dbraw/zinc/89/87/84/495898784.db2.gz QTCKJFOQUSZUNC-NQIIRXRSSA-N 1 2 367.497 3.248 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000171587500 495938253 /nfs/dbraw/zinc/93/82/53/495938253.db2.gz HLKSSICCFGCJSH-QGZVFWFLSA-N 1 2 363.461 3.280 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)cc1F ZINC000160561805 495992818 /nfs/dbraw/zinc/99/28/18/495992818.db2.gz IICXDJBAZCXGJF-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000155594372 496006649 /nfs/dbraw/zinc/00/66/49/496006649.db2.gz ISQOBZLWNVDXEZ-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000155594372 496006651 /nfs/dbraw/zinc/00/66/51/496006651.db2.gz ISQOBZLWNVDXEZ-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO Cc1ncsc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000171751111 496020754 /nfs/dbraw/zinc/02/07/54/496020754.db2.gz JAUFDGFQYALRNB-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000171751111 496020760 /nfs/dbraw/zinc/02/07/60/496020760.db2.gz JAUFDGFQYALRNB-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000180495201 496021589 /nfs/dbraw/zinc/02/15/89/496021589.db2.gz ATJCRYJCZZMSFI-KRWDZBQOSA-N 1 2 359.351 3.213 20 30 FGEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000180495201 496021593 /nfs/dbraw/zinc/02/15/93/496021593.db2.gz ATJCRYJCZZMSFI-KRWDZBQOSA-N 1 2 359.351 3.213 20 30 FGEDLO Cc1cc(C#N)ccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000160951003 496073307 /nfs/dbraw/zinc/07/33/07/496073307.db2.gz PPRJAOMZBVMUGA-UHFFFAOYSA-N 1 2 360.417 3.416 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186710339 496116879 /nfs/dbraw/zinc/11/68/79/496116879.db2.gz VHMCANCOQHZEOK-FQEVSTJZSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186710339 496116885 /nfs/dbraw/zinc/11/68/85/496116885.db2.gz VHMCANCOQHZEOK-FQEVSTJZSA-N 1 2 367.836 3.282 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000174860318 496136526 /nfs/dbraw/zinc/13/65/26/496136526.db2.gz SEYCMRKXKQXFJC-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C3)cs1 ZINC000180884012 496184314 /nfs/dbraw/zinc/18/43/14/496184314.db2.gz DFVBRBDJHCZEKB-GFCCVEGCSA-N 1 2 374.535 3.299 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C3)cs1 ZINC000180884012 496184317 /nfs/dbraw/zinc/18/43/17/496184317.db2.gz DFVBRBDJHCZEKB-GFCCVEGCSA-N 1 2 374.535 3.299 20 30 FGEDLO Cc1nc(CC(N)=[NH+]OCc2sc(C)nc2C(F)(F)F)cs1 ZINC000184197176 496282678 /nfs/dbraw/zinc/28/26/78/496282678.db2.gz WHRZOSPRYIKKLZ-UHFFFAOYSA-N 1 2 350.391 3.267 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)n1 ZINC000187200327 496337313 /nfs/dbraw/zinc/33/73/13/496337313.db2.gz PGJRIBOSIQJZHZ-UHFFFAOYSA-N 1 2 363.421 3.140 20 30 FGEDLO NC(=[NH+]OCc1csc(C2CC2)n1)c1ccc(N2CCCCC2)nc1 ZINC000153150481 496368179 /nfs/dbraw/zinc/36/81/79/496368179.db2.gz WBEQXDNSVINKKU-UHFFFAOYSA-N 1 2 357.483 3.243 20 30 FGEDLO Cc1[nH+]cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)n1-c1ccccc1 ZINC000157319517 496454230 /nfs/dbraw/zinc/45/42/30/496454230.db2.gz SERNTQVRWOOQFE-JOCHJYFZSA-N 1 2 371.488 3.391 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184603862 496460653 /nfs/dbraw/zinc/46/06/53/496460653.db2.gz WPDXYKOGLFZXEF-FQEVSTJZSA-N 1 2 350.397 3.319 20 30 FGEDLO CC(C)Oc1cc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccn1 ZINC000163133532 496470904 /nfs/dbraw/zinc/47/09/04/496470904.db2.gz MKVUDVSNABBVJD-UHFFFAOYSA-N 1 2 370.478 3.405 20 30 FGEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccn1 ZINC000163133532 496470910 /nfs/dbraw/zinc/47/09/10/496470910.db2.gz MKVUDVSNABBVJD-UHFFFAOYSA-N 1 2 370.478 3.405 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175951172 496615495 /nfs/dbraw/zinc/61/54/95/496615495.db2.gz HNVSIOGGYMVEJH-GOSISDBHSA-N 1 2 358.392 3.074 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000185023093 496626712 /nfs/dbraw/zinc/62/67/12/496626712.db2.gz PKSLLQKQGBQLAS-KRWDZBQOSA-N 1 2 354.498 3.198 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000185023093 496626717 /nfs/dbraw/zinc/62/67/17/496626717.db2.gz PKSLLQKQGBQLAS-KRWDZBQOSA-N 1 2 354.498 3.198 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158195766 496647622 /nfs/dbraw/zinc/64/76/22/496647622.db2.gz OZBJWPSRLXFECK-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158195766 496647625 /nfs/dbraw/zinc/64/76/25/496647625.db2.gz OZBJWPSRLXFECK-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1OC ZINC000182054944 496651799 /nfs/dbraw/zinc/65/17/99/496651799.db2.gz JQVSNSCBJKRCPD-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)ccc1OC ZINC000182054944 496651805 /nfs/dbraw/zinc/65/18/05/496651805.db2.gz JQVSNSCBJKRCPD-UHFFFAOYSA-N 1 2 367.493 3.363 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000188036229 496658539 /nfs/dbraw/zinc/65/85/39/496658539.db2.gz YSAHQTHPQJTCCW-QGZVFWFLSA-N 1 2 364.449 3.004 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1=O ZINC000185301652 496726415 /nfs/dbraw/zinc/72/64/15/496726415.db2.gz RYRDRKBMHQYKTB-CZUORRHYSA-N 1 2 373.428 3.493 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1=O ZINC000185301652 496726417 /nfs/dbraw/zinc/72/64/17/496726417.db2.gz RYRDRKBMHQYKTB-CZUORRHYSA-N 1 2 373.428 3.493 20 30 FGEDLO C[C@H](C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000263879471 496752967 /nfs/dbraw/zinc/75/29/67/496752967.db2.gz LADQTXRFJQVAAP-CRAIPNDOSA-N 1 2 374.444 3.247 20 30 FGEDLO C[C@H](C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000263879471 496752969 /nfs/dbraw/zinc/75/29/69/496752969.db2.gz LADQTXRFJQVAAP-CRAIPNDOSA-N 1 2 374.444 3.247 20 30 FGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000263909437 496760842 /nfs/dbraw/zinc/76/08/42/496760842.db2.gz AZCKZRGPVSVYBE-AATRIKPKSA-N 1 2 365.355 3.178 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247173706 496797735 /nfs/dbraw/zinc/79/77/35/496797735.db2.gz XXMFFAITKXCRCV-JKSUJKDBSA-N 1 2 352.841 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247173706 496797741 /nfs/dbraw/zinc/79/77/41/496797741.db2.gz XXMFFAITKXCRCV-JKSUJKDBSA-N 1 2 352.841 3.217 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c(C#N)c1C ZINC000195343646 496896928 /nfs/dbraw/zinc/89/69/28/496896928.db2.gz XMNADJDZXMWLHM-JSGCOSHPSA-N 1 2 358.467 3.431 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c(C#N)c1C ZINC000195343646 496896932 /nfs/dbraw/zinc/89/69/32/496896932.db2.gz XMNADJDZXMWLHM-JSGCOSHPSA-N 1 2 358.467 3.431 20 30 FGEDLO CSc1ccsc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264432214 496899508 /nfs/dbraw/zinc/89/95/08/496899508.db2.gz LFCYMIHLQYUMJK-UHFFFAOYSA-N 1 2 357.504 3.300 20 30 FGEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000191817133 496899947 /nfs/dbraw/zinc/89/99/47/496899947.db2.gz HPPXVCMZXGRDQN-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO N#CCOc1ccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277909645 496931914 /nfs/dbraw/zinc/93/19/14/496931914.db2.gz CBRXDHVHOXNGRZ-SEHGVRFQSA-N 1 2 366.421 3.068 20 30 FGEDLO N#CCOc1ccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000277909645 496931919 /nfs/dbraw/zinc/93/19/19/496931919.db2.gz CBRXDHVHOXNGRZ-SEHGVRFQSA-N 1 2 366.421 3.068 20 30 FGEDLO C=CCc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc(OC)c1OC ZINC000273903007 496951945 /nfs/dbraw/zinc/95/19/45/496951945.db2.gz PJPAGUHERYKGMF-QGZVFWFLSA-N 1 2 371.437 3.018 20 30 FGEDLO C=CCc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc(OC)c1OC ZINC000273903007 496951951 /nfs/dbraw/zinc/95/19/51/496951951.db2.gz PJPAGUHERYKGMF-QGZVFWFLSA-N 1 2 371.437 3.018 20 30 FGEDLO COc1ccc([C@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000198223413 496966767 /nfs/dbraw/zinc/96/67/67/496966767.db2.gz FLJRXBLHYVFIAQ-FQEVSTJZSA-N 1 2 355.413 3.191 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000189014457 496978957 /nfs/dbraw/zinc/97/89/57/496978957.db2.gz XMWDQUVMRNDWOO-UHFFFAOYSA-N 1 2 352.413 3.403 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060786 496995424 /nfs/dbraw/zinc/99/54/24/496995424.db2.gz UFPMSDCHRFUBBT-AEFFLSMTSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060786 496995430 /nfs/dbraw/zinc/99/54/30/496995430.db2.gz UFPMSDCHRFUBBT-AEFFLSMTSA-N 1 2 355.825 3.092 20 30 FGEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000269939096 497028195 /nfs/dbraw/zinc/02/81/95/497028195.db2.gz GAAUCUUGHMXSLN-INIZCTEOSA-N 1 2 358.423 3.013 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000248980393 497143898 /nfs/dbraw/zinc/14/38/98/497143898.db2.gz ISHOQTVSWJEDPU-BEFAXECRSA-N 1 2 367.399 3.431 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000248980393 497143903 /nfs/dbraw/zinc/14/39/03/497143903.db2.gz ISHOQTVSWJEDPU-BEFAXECRSA-N 1 2 367.399 3.431 20 30 FGEDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000574948941 505888648 /nfs/dbraw/zinc/88/86/48/505888648.db2.gz YEXPYQWCAPNVBA-UHFFFAOYSA-N 1 2 353.388 3.267 20 30 FGEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000574948941 505888650 /nfs/dbraw/zinc/88/86/50/505888650.db2.gz YEXPYQWCAPNVBA-UHFFFAOYSA-N 1 2 353.388 3.267 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c[nH+]cn1C ZINC000192666469 497180044 /nfs/dbraw/zinc/18/00/44/497180044.db2.gz RUXRKFQDDNOBAA-UHFFFAOYSA-N 1 2 361.405 3.359 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000251701524 497281887 /nfs/dbraw/zinc/28/18/87/497281887.db2.gz JYTMQPTZBQLJTN-XJKSGUPXSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000251701524 497281892 /nfs/dbraw/zinc/28/18/92/497281892.db2.gz JYTMQPTZBQLJTN-XJKSGUPXSA-N 1 2 361.511 3.184 20 30 FGEDLO C[C@@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000574992735 505900051 /nfs/dbraw/zinc/90/00/51/505900051.db2.gz VXZCKCRHDNUWLW-ZLPCBKJTSA-N 1 2 352.438 3.212 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255208265 497362367 /nfs/dbraw/zinc/36/23/67/497362367.db2.gz ULKHWXVSMUCTDF-YHYXMXQVSA-N 1 2 360.461 3.099 20 30 FGEDLO C=CCNC(=O)c1ccc(NCc2[nH+]ccn2CCc2ccccc2)nc1 ZINC000193469750 497387968 /nfs/dbraw/zinc/38/79/68/497387968.db2.gz VIZMGJYDGDGCRI-UHFFFAOYSA-N 1 2 361.449 3.049 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccncc2)n1 ZINC000279349708 497414053 /nfs/dbraw/zinc/41/40/53/497414053.db2.gz FXSDSHKCBVDUFM-SFHVURJKSA-N 1 2 361.453 3.309 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(-c2ccncc2)n1 ZINC000279349708 497414060 /nfs/dbraw/zinc/41/40/60/497414060.db2.gz FXSDSHKCBVDUFM-SFHVURJKSA-N 1 2 361.453 3.309 20 30 FGEDLO CCCN1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C(C)(C)C1=O ZINC000190270821 497421117 /nfs/dbraw/zinc/42/11/17/497421117.db2.gz SPFXBTOCJKOZCQ-UHFFFAOYSA-N 1 2 373.497 3.211 20 30 FGEDLO CCCN1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C(C)(C)C1=O ZINC000190270821 497421118 /nfs/dbraw/zinc/42/11/18/497421118.db2.gz SPFXBTOCJKOZCQ-UHFFFAOYSA-N 1 2 373.497 3.211 20 30 FGEDLO C=CCOc1cccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000266839444 497430228 /nfs/dbraw/zinc/43/02/28/497430228.db2.gz MHUBYRQHXNOBPZ-UHFFFAOYSA-N 1 2 352.434 3.336 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)cs1)CC2 ZINC000275842953 497445539 /nfs/dbraw/zinc/44/55/39/497445539.db2.gz XWKPGSQMXLKZSL-OAHLLOKOSA-N 1 2 372.519 3.203 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)cs1)CC2 ZINC000275842953 497445545 /nfs/dbraw/zinc/44/55/45/497445545.db2.gz XWKPGSQMXLKZSL-OAHLLOKOSA-N 1 2 372.519 3.203 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805952 497547662 /nfs/dbraw/zinc/54/76/62/497547662.db2.gz PMAIUAJLZLJSEO-IIYDPXPESA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805952 497547667 /nfs/dbraw/zinc/54/76/67/497547667.db2.gz PMAIUAJLZLJSEO-IIYDPXPESA-N 1 2 365.271 3.089 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000279845266 497561995 /nfs/dbraw/zinc/56/19/95/497561995.db2.gz RKCKLMMMGDLKFN-AEFFLSMTSA-N 1 2 358.461 3.091 20 30 FGEDLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(-c2ccc(C#N)cc2)n1 ZINC000272229317 497571390 /nfs/dbraw/zinc/57/13/90/497571390.db2.gz FRQDJQOJJOOWEN-UHFFFAOYSA-N 1 2 366.494 3.398 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000272514580 497649746 /nfs/dbraw/zinc/64/97/46/497649746.db2.gz JCXLBBSJHCYJRB-DLBZAZTESA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000272514580 497649747 /nfs/dbraw/zinc/64/97/47/497649747.db2.gz JCXLBBSJHCYJRB-DLBZAZTESA-N 1 2 362.424 3.045 20 30 FGEDLO CCC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147375 497686736 /nfs/dbraw/zinc/68/67/36/497686736.db2.gz GPPBORDIUUSDPR-GOEBONIOSA-N 1 2 352.438 3.024 20 30 FGEDLO CCC[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147375 497686742 /nfs/dbraw/zinc/68/67/42/497686742.db2.gz GPPBORDIUUSDPR-GOEBONIOSA-N 1 2 352.438 3.024 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000191076136 497701511 /nfs/dbraw/zinc/70/15/11/497701511.db2.gz WBWJJRXPNKLNQV-ZDUSSCGKSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000191076136 497701515 /nfs/dbraw/zinc/70/15/15/497701515.db2.gz WBWJJRXPNKLNQV-ZDUSSCGKSA-N 1 2 355.276 3.219 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000191250702 497757023 /nfs/dbraw/zinc/75/70/23/497757023.db2.gz DQQSPXAZHZACJI-UHFFFAOYSA-N 1 2 367.472 3.259 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000292054126 497857593 /nfs/dbraw/zinc/85/75/93/497857593.db2.gz WDYQWCVDWPDCNY-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)c(C)n3)CC2)cs1 ZINC000292054126 497857602 /nfs/dbraw/zinc/85/76/02/497857602.db2.gz WDYQWCVDWPDCNY-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@]2(C)OCCc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000329732799 497883043 /nfs/dbraw/zinc/88/30/43/497883043.db2.gz JCRIHNBJTNDZSN-ALKREAHSSA-N 1 2 374.510 3.230 20 30 FGEDLO C[C@@H]1CCN(C(=O)NC[C@]2(C)OCCc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000329732799 497883047 /nfs/dbraw/zinc/88/30/47/497883047.db2.gz JCRIHNBJTNDZSN-ALKREAHSSA-N 1 2 374.510 3.230 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329781387 497899406 /nfs/dbraw/zinc/89/94/06/497899406.db2.gz NEKXXRJTEWOYEI-QRVBRYPASA-N 1 2 372.444 3.321 20 30 FGEDLO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329781387 497899408 /nfs/dbraw/zinc/89/94/08/497899408.db2.gz NEKXXRJTEWOYEI-QRVBRYPASA-N 1 2 372.444 3.321 20 30 FGEDLO CCN1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329798811 497905771 /nfs/dbraw/zinc/90/57/71/497905771.db2.gz GXECGDWNJDARTH-ZHALLVOQSA-N 1 2 367.497 3.257 20 30 FGEDLO C[C@]12CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]1C2(Cl)Cl ZINC000284879492 497929016 /nfs/dbraw/zinc/92/90/16/497929016.db2.gz SXYCHQBNRJLHSK-ZOWXZIJZSA-N 1 2 370.305 3.241 20 30 FGEDLO C[C@]12CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]1C2(Cl)Cl ZINC000284879492 497929025 /nfs/dbraw/zinc/92/90/25/497929025.db2.gz SXYCHQBNRJLHSK-ZOWXZIJZSA-N 1 2 370.305 3.241 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000288939747 497952100 /nfs/dbraw/zinc/95/21/00/497952100.db2.gz AIZOODYQTICKLX-JCHJZTRSSA-N 1 2 369.465 3.480 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000288939747 497952105 /nfs/dbraw/zinc/95/21/05/497952105.db2.gz AIZOODYQTICKLX-JCHJZTRSSA-N 1 2 369.465 3.480 20 30 FGEDLO CC[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000329988035 497980977 /nfs/dbraw/zinc/98/09/77/497980977.db2.gz TWSFZZIXFIGHSS-MUQADHOPSA-N 1 2 366.481 3.320 20 30 FGEDLO CC[C@@H]1CCC[C@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000329988035 497980983 /nfs/dbraw/zinc/98/09/83/497980983.db2.gz TWSFZZIXFIGHSS-MUQADHOPSA-N 1 2 366.481 3.320 20 30 FGEDLO CCN1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330030023 497997368 /nfs/dbraw/zinc/99/73/68/497997368.db2.gz QYNYGCJLSSPZQP-ZWKOTPCHSA-N 1 2 371.460 3.219 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330103627 498023535 /nfs/dbraw/zinc/02/35/35/498023535.db2.gz GKKYSEPLHGCHQN-YFVAEKQCSA-N 1 2 360.498 3.152 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330103627 498023545 /nfs/dbraw/zinc/02/35/45/498023545.db2.gz GKKYSEPLHGCHQN-YFVAEKQCSA-N 1 2 360.498 3.152 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000330164646 498046087 /nfs/dbraw/zinc/04/60/87/498046087.db2.gz WENOTAAJNUGSAZ-XMSQKQJNSA-N 1 2 372.509 3.335 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000330164646 498046091 /nfs/dbraw/zinc/04/60/91/498046091.db2.gz WENOTAAJNUGSAZ-XMSQKQJNSA-N 1 2 372.509 3.335 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)[S@@]1=O ZINC000289191082 498052925 /nfs/dbraw/zinc/05/29/25/498052925.db2.gz AVVNGUZNJSDDRW-HDNWHIHDSA-N 1 2 370.522 3.195 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)[S@@]1=O ZINC000289191082 498052934 /nfs/dbraw/zinc/05/29/34/498052934.db2.gz AVVNGUZNJSDDRW-HDNWHIHDSA-N 1 2 370.522 3.195 20 30 FGEDLO [O-]C(N[C@@H]1CCCc2sc(Cl)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330210598 498063898 /nfs/dbraw/zinc/06/38/98/498063898.db2.gz ILGYKPSEXNSKSV-ZYHUDNBSSA-N 1 2 350.875 3.494 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330318575 498102809 /nfs/dbraw/zinc/10/28/09/498102809.db2.gz CLRNZQMCKAZOAS-MOPGFXCFSA-N 1 2 367.497 3.462 20 30 FGEDLO Cc1c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cccc1N(C)C ZINC000330341077 498111302 /nfs/dbraw/zinc/11/13/02/498111302.db2.gz YTXDQLLKQLHJQT-RDTXWAMCSA-N 1 2 357.458 3.041 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc3nc(C)sc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330354358 498117226 /nfs/dbraw/zinc/11/72/26/498117226.db2.gz PNJVQDIHUARQHJ-HNNXBMFYSA-N 1 2 370.482 3.252 20 30 FGEDLO Cn1nccc1C1=CC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000285534114 498120311 /nfs/dbraw/zinc/12/03/11/498120311.db2.gz HPUQHVYCXKWKSI-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cn1nccc1C1=CC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000285534114 498120302 /nfs/dbraw/zinc/12/03/02/498120302.db2.gz HPUQHVYCXKWKSI-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)c1C#N ZINC000289402597 498133191 /nfs/dbraw/zinc/13/31/91/498133191.db2.gz FZGJAFOQGHYPHZ-ZDUSSCGKSA-N 1 2 353.451 3.348 20 30 FGEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)c1C ZINC000330464986 498136992 /nfs/dbraw/zinc/13/69/92/498136992.db2.gz FTSJRPUYGXNBEH-UHFFFAOYSA-N 1 2 355.360 3.160 20 30 FGEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c1C ZINC000330464986 498136998 /nfs/dbraw/zinc/13/69/98/498136998.db2.gz FTSJRPUYGXNBEH-UHFFFAOYSA-N 1 2 355.360 3.160 20 30 FGEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1c(F)cncc1F ZINC000285584873 498137444 /nfs/dbraw/zinc/13/74/44/498137444.db2.gz IJHPCGWGEVAKLL-SJCJKPOMSA-N 1 2 356.376 3.078 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1F ZINC000330554282 498150812 /nfs/dbraw/zinc/15/08/12/498150812.db2.gz YQBQMOWIIIQWPS-MNOVXSKESA-N 1 2 361.820 3.362 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000285774736 498197035 /nfs/dbraw/zinc/19/70/35/498197035.db2.gz NMVBNQYCZWUYRY-UHFFFAOYSA-N 1 2 356.813 3.004 20 30 FGEDLO CC(C)(C)c1cc(NCCCc2[nH]nc(N)c2C#N)nc(C(C)(C)C)[nH+]1 ZINC000301676859 498219077 /nfs/dbraw/zinc/21/90/77/498219077.db2.gz QWMUVCBHODOXDS-UHFFFAOYSA-N 1 2 355.490 3.293 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301683369 498223796 /nfs/dbraw/zinc/22/37/96/498223796.db2.gz VYPUBUQSRJTEBL-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO Cc1nc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)c(C)[nH+]1 ZINC000301712413 498234234 /nfs/dbraw/zinc/23/42/34/498234234.db2.gz YGVXOPFGNBFTBG-UHFFFAOYSA-N 1 2 358.449 3.148 20 30 FGEDLO Cc1cc(C)c(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c(C)[nH+]1 ZINC000331341727 498306231 /nfs/dbraw/zinc/30/62/31/498306231.db2.gz SSUODKWVCUJQTR-UHFFFAOYSA-N 1 2 355.364 3.437 20 30 FGEDLO CC(=O)c1ccc(C#N)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000302015129 498367742 /nfs/dbraw/zinc/36/77/42/498367742.db2.gz FIECZMCUNPTOLR-UHFFFAOYSA-N 1 2 363.465 3.309 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000572675100 506026597 /nfs/dbraw/zinc/02/65/97/506026597.db2.gz DZPKZFXMSIVDOE-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C(C)C)C1=O ZINC000282132158 498395129 /nfs/dbraw/zinc/39/51/29/498395129.db2.gz YVKBVPAAZVNSBM-MRXNPFEDSA-N 1 2 374.872 3.387 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](Cc2nnc(-c3ccccc3Cl)o2)C(C)C)C1=O ZINC000282132158 498395134 /nfs/dbraw/zinc/39/51/34/498395134.db2.gz YVKBVPAAZVNSBM-MRXNPFEDSA-N 1 2 374.872 3.387 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000293495656 498400524 /nfs/dbraw/zinc/40/05/24/498400524.db2.gz UAOWDLMBNGJEKJ-OAHLLOKOSA-N 1 2 370.453 3.013 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000293495656 498400529 /nfs/dbraw/zinc/40/05/29/498400529.db2.gz UAOWDLMBNGJEKJ-OAHLLOKOSA-N 1 2 370.453 3.013 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3cc(C(C)=O)ccc3C#N)CC2)cc1 ZINC000302099608 498405099 /nfs/dbraw/zinc/40/50/99/498405099.db2.gz KTDIJDMFVXRYJC-UHFFFAOYSA-N 1 2 363.461 3.482 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2F)n1C ZINC000331875895 498484017 /nfs/dbraw/zinc/48/40/17/498484017.db2.gz HVAHSZJFQFKKLJ-KRWDZBQOSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2F)n1C ZINC000331875895 498484024 /nfs/dbraw/zinc/48/40/24/498484024.db2.gz HVAHSZJFQFKKLJ-KRWDZBQOSA-N 1 2 354.429 3.123 20 30 FGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)CC1 ZINC000362759231 498550019 /nfs/dbraw/zinc/55/00/19/498550019.db2.gz NYYVHNGPLGKBGZ-SFHVURJKSA-N 1 2 354.454 3.126 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)sc1SCC#N ZINC000362918160 498580305 /nfs/dbraw/zinc/58/03/05/498580305.db2.gz OWKARBLVJNRZRI-AWEZNQCLSA-N 1 2 358.492 3.280 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)sc1SCC#N ZINC000362918160 498580312 /nfs/dbraw/zinc/58/03/12/498580312.db2.gz OWKARBLVJNRZRI-AWEZNQCLSA-N 1 2 358.492 3.280 20 30 FGEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@@H](C#N)C1 ZINC000294233331 498628201 /nfs/dbraw/zinc/62/82/01/498628201.db2.gz SXLRXOZYIWTWOP-DOMZBBRYSA-N 1 2 360.259 3.154 20 30 FGEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@@H](C#N)C1 ZINC000294233331 498628208 /nfs/dbraw/zinc/62/82/08/498628208.db2.gz SXLRXOZYIWTWOP-DOMZBBRYSA-N 1 2 360.259 3.154 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103158 498651231 /nfs/dbraw/zinc/65/12/31/498651231.db2.gz CVQIPICXWCLFPP-RISCZKNCSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)no1 ZINC000363103158 498651240 /nfs/dbraw/zinc/65/12/40/498651240.db2.gz CVQIPICXWCLFPP-RISCZKNCSA-N 1 2 373.844 3.110 20 30 FGEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000303194037 498654687 /nfs/dbraw/zinc/65/46/87/498654687.db2.gz ZTTKXVQQCAWXMB-GOSISDBHSA-N 1 2 356.514 3.011 20 30 FGEDLO N#Cc1c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cccc1-n1cccn1 ZINC000581834971 506070086 /nfs/dbraw/zinc/07/00/86/506070086.db2.gz HZHAYSSUPZEZGU-JOCHJYFZSA-N 1 2 373.460 3.229 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000332542344 498719392 /nfs/dbraw/zinc/71/93/92/498719392.db2.gz XVZVXTFHCBWCHL-LJQANCHMSA-N 1 2 368.481 3.296 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000363340384 498769819 /nfs/dbraw/zinc/76/98/19/498769819.db2.gz PGAKFWGYZMHYDU-PMACEKPBSA-N 1 2 373.460 3.358 20 30 FGEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000283175635 498806689 /nfs/dbraw/zinc/80/66/89/498806689.db2.gz GCOGYHLRCUYKGH-CQSZACIVSA-N 1 2 358.515 3.071 20 30 FGEDLO Cn1nc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)nc1N ZINC000298623970 498832915 /nfs/dbraw/zinc/83/29/15/498832915.db2.gz VCGYIJJJQRPHNE-LJQANCHMSA-N 1 2 358.449 3.273 20 30 FGEDLO Cn1nc([C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C#N)cc2)nc1N ZINC000298623970 498832917 /nfs/dbraw/zinc/83/29/17/498832917.db2.gz VCGYIJJJQRPHNE-LJQANCHMSA-N 1 2 358.449 3.273 20 30 FGEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720964 498859438 /nfs/dbraw/zinc/85/94/38/498859438.db2.gz KCCPNRNBTZZLKU-IEBWSBKVSA-N 1 2 372.428 3.349 20 30 FGEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720964 498859442 /nfs/dbraw/zinc/85/94/42/498859442.db2.gz KCCPNRNBTZZLKU-IEBWSBKVSA-N 1 2 372.428 3.349 20 30 FGEDLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000294984316 498870919 /nfs/dbraw/zinc/87/09/19/498870919.db2.gz OSVPJDJBDMMXGM-LRDDRELGSA-N 1 2 373.254 3.241 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@H]1CCc3ccccc3C1)CCC2 ZINC000328650408 498890142 /nfs/dbraw/zinc/89/01/42/498890142.db2.gz JFSYVANTCJIDBN-OALUTQOASA-N 1 2 352.482 3.472 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H]1CCc3ccccc3C1)CCC2 ZINC000328650408 498890151 /nfs/dbraw/zinc/89/01/51/498890151.db2.gz JFSYVANTCJIDBN-OALUTQOASA-N 1 2 352.482 3.472 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCC(=O)N3)c[nH+]2)CCO1 ZINC000328668127 498896752 /nfs/dbraw/zinc/89/67/52/498896752.db2.gz LGLSSYTWSBFMOT-ZBFHGGJFSA-N 1 2 360.458 3.052 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 ZINC000295097462 498909158 /nfs/dbraw/zinc/90/91/58/498909158.db2.gz FZQNKLMWXQPXHS-UHFFFAOYSA-N 1 2 354.479 3.354 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1 ZINC000295097462 498909163 /nfs/dbraw/zinc/90/91/63/498909163.db2.gz FZQNKLMWXQPXHS-UHFFFAOYSA-N 1 2 354.479 3.354 20 30 FGEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCN(CC(F)(F)F)CC1 ZINC000328717465 498912377 /nfs/dbraw/zinc/91/23/77/498912377.db2.gz FIWGDUXONZKYJP-JSGCOSHPSA-N 1 2 358.408 3.065 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000573072829 506112408 /nfs/dbraw/zinc/11/24/08/506112408.db2.gz BXAFTPSTWIJRAS-PKOBYXMFSA-N 1 2 363.465 3.317 20 30 FGEDLO CC(C)[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1[nH]cc[nH+]1 ZINC000288180309 498961382 /nfs/dbraw/zinc/96/13/82/498961382.db2.gz RICSSLXBBUEWAZ-SFHVURJKSA-N 1 2 369.444 3.150 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](C3CCOCC3)C1)C2 ZINC000328851886 498961924 /nfs/dbraw/zinc/96/19/24/498961924.db2.gz SFBAOJPLNDSKPP-SJORKVTESA-N 1 2 374.529 3.158 20 30 FGEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000328990696 499009026 /nfs/dbraw/zinc/00/90/26/499009026.db2.gz FLECTXOHUKGPKN-MRXNPFEDSA-N 1 2 358.442 3.142 20 30 FGEDLO O=C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCCC2 ZINC000329013529 499014657 /nfs/dbraw/zinc/01/46/57/499014657.db2.gz FKKALPBFGYBPNJ-LBPRGKRZSA-N 1 2 373.482 3.360 20 30 FGEDLO O=C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1nc2c(s1)CCCC2 ZINC000329013529 499014663 /nfs/dbraw/zinc/01/46/63/499014663.db2.gz FKKALPBFGYBPNJ-LBPRGKRZSA-N 1 2 373.482 3.360 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027675 499018136 /nfs/dbraw/zinc/01/81/36/499018136.db2.gz KGDOBKUBGSACOT-ZWNOBZJWSA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027675 499018142 /nfs/dbraw/zinc/01/81/42/499018142.db2.gz KGDOBKUBGSACOT-ZWNOBZJWSA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)no1 ZINC000299385037 499044448 /nfs/dbraw/zinc/04/44/48/499044448.db2.gz SXESXTJLBCZONV-UHFFFAOYSA-N 1 2 373.844 3.291 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC000329165696 499060342 /nfs/dbraw/zinc/06/03/42/499060342.db2.gz HHGBGLVEFYUFRE-OAHLLOKOSA-N 1 2 364.453 3.285 20 30 FGEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329331741 499101577 /nfs/dbraw/zinc/10/15/77/499101577.db2.gz ZPIDCSPUZVYSQS-UHFFFAOYSA-N 1 2 358.438 3.429 20 30 FGEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329331741 499101584 /nfs/dbraw/zinc/10/15/84/499101584.db2.gz ZPIDCSPUZVYSQS-UHFFFAOYSA-N 1 2 358.438 3.429 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000364062170 499104757 /nfs/dbraw/zinc/10/47/57/499104757.db2.gz QTPRKPJHTHKWNG-UTKZUKDTSA-N 1 2 360.461 3.478 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000364062170 499104762 /nfs/dbraw/zinc/10/47/62/499104762.db2.gz QTPRKPJHTHKWNG-UTKZUKDTSA-N 1 2 360.461 3.478 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cnc(C#N)c(Cl)c1)C2 ZINC000582105944 506134835 /nfs/dbraw/zinc/13/48/35/506134835.db2.gz DRRCHHOPAZLWNI-UHFFFAOYSA-N 1 2 358.833 3.054 20 30 FGEDLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)NC(=O)NC1CC1 ZINC000329417422 499118132 /nfs/dbraw/zinc/11/81/32/499118132.db2.gz DKHCTEVHGYOZNX-CQSZACIVSA-N 1 2 374.489 3.065 20 30 FGEDLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)NC(=O)NC1CC1 ZINC000329417422 499118135 /nfs/dbraw/zinc/11/81/35/499118135.db2.gz DKHCTEVHGYOZNX-CQSZACIVSA-N 1 2 374.489 3.065 20 30 FGEDLO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329421760 499118872 /nfs/dbraw/zinc/11/88/72/499118872.db2.gz HGTPQJKYPIASBD-IBGZPJMESA-N 1 2 359.445 3.449 20 30 FGEDLO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329421760 499118874 /nfs/dbraw/zinc/11/88/74/499118874.db2.gz HGTPQJKYPIASBD-IBGZPJMESA-N 1 2 359.445 3.449 20 30 FGEDLO O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](CC(F)F)CC1 ZINC000329501267 499128254 /nfs/dbraw/zinc/12/82/54/499128254.db2.gz KJKRCDCDSDJANU-MRXNPFEDSA-N 1 2 371.472 3.244 20 30 FGEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CCC[C@H]1C1CCOCC1 ZINC000329508042 499128557 /nfs/dbraw/zinc/12/85/57/499128557.db2.gz WYKOYNTUNYSRCM-IBGZPJMESA-N 1 2 372.513 3.377 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369818373 499133484 /nfs/dbraw/zinc/13/34/84/499133484.db2.gz YHAGEFKEEUVGMI-RTBURBONSA-N 1 2 357.417 3.179 20 30 FGEDLO Cc1cc([C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cs1 ZINC000372922679 499195148 /nfs/dbraw/zinc/19/51/48/499195148.db2.gz MBPYILIKIKAKIR-INIZCTEOSA-N 1 2 360.504 3.191 20 30 FGEDLO Cc1cc([C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cs1 ZINC000372922679 499195149 /nfs/dbraw/zinc/19/51/49/499195149.db2.gz MBPYILIKIKAKIR-INIZCTEOSA-N 1 2 360.504 3.191 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000370610892 499235322 /nfs/dbraw/zinc/23/53/22/499235322.db2.gz RJYUCGISGAJIFZ-QGZVFWFLSA-N 1 2 352.344 3.089 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000370761626 499252127 /nfs/dbraw/zinc/25/21/27/499252127.db2.gz PBLQLWSXVJLXIN-OAHLLOKOSA-N 1 2 373.501 3.104 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368068291 499261269 /nfs/dbraw/zinc/26/12/69/499261269.db2.gz HKJNWLCXAQEELC-CHWSQXEVSA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368068291 499261271 /nfs/dbraw/zinc/26/12/71/499261271.db2.gz HKJNWLCXAQEELC-CHWSQXEVSA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368068292 499261303 /nfs/dbraw/zinc/26/13/03/499261303.db2.gz HKJNWLCXAQEELC-OLZOCXBDSA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368068292 499261305 /nfs/dbraw/zinc/26/13/05/499261305.db2.gz HKJNWLCXAQEELC-OLZOCXBDSA-N 1 2 355.467 3.483 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cs1 ZINC000370866989 499264255 /nfs/dbraw/zinc/26/42/55/499264255.db2.gz IZEFDKOAXYTWRJ-UHFFFAOYSA-N 1 2 360.527 3.214 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cs1 ZINC000370866989 499264258 /nfs/dbraw/zinc/26/42/58/499264258.db2.gz IZEFDKOAXYTWRJ-UHFFFAOYSA-N 1 2 360.527 3.214 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370961815 499275306 /nfs/dbraw/zinc/27/53/06/499275306.db2.gz XJMDIDPSWFXIKY-QGZVFWFLSA-N 1 2 354.454 3.133 20 30 FGEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371633453 499349000 /nfs/dbraw/zinc/34/90/00/499349000.db2.gz BCUSEFXIQNHKEI-DENIHFKCSA-N 1 2 362.477 3.329 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656949 499351642 /nfs/dbraw/zinc/35/16/42/499351642.db2.gz WXKCYEYJTYSQHP-ICSRJNTNSA-N 1 2 360.417 3.069 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656949 499351643 /nfs/dbraw/zinc/35/16/43/499351643.db2.gz WXKCYEYJTYSQHP-ICSRJNTNSA-N 1 2 360.417 3.069 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000369124970 499368122 /nfs/dbraw/zinc/36/81/22/499368122.db2.gz FYSUSZKQOPMEAP-LAUBAEHRSA-N 1 2 350.466 3.111 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000369124970 499368123 /nfs/dbraw/zinc/36/81/23/499368123.db2.gz FYSUSZKQOPMEAP-LAUBAEHRSA-N 1 2 350.466 3.111 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204110 499377078 /nfs/dbraw/zinc/37/70/78/499377078.db2.gz DYCNFBGAIWGVJY-KZNAEPCWSA-N 1 2 354.498 3.022 20 30 FGEDLO Cc1ccc(C#N)c(N2CCC[C@H](c3nc(Cc4ccc(C)[nH+]c4)no3)C2)n1 ZINC000371905508 499377313 /nfs/dbraw/zinc/37/73/13/499377313.db2.gz ZXBFVEJCNGOAHU-SFHVURJKSA-N 1 2 374.448 3.323 20 30 FGEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000375350348 499509827 /nfs/dbraw/zinc/50/98/27/499509827.db2.gz VKRKKWVJWSCMOZ-UHFFFAOYSA-N 1 2 357.483 3.086 20 30 FGEDLO N#Cc1c(NC(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)sc2c1CCCCC2 ZINC000378438104 499516710 /nfs/dbraw/zinc/51/67/10/499516710.db2.gz VCNYATRQKCKDCZ-OAHLLOKOSA-N 1 2 369.494 3.387 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)n1cnc(C#N)n1 ZINC000409790728 499622051 /nfs/dbraw/zinc/62/20/51/499622051.db2.gz OTNKZJKDXYAUFR-GFCCVEGCSA-N 1 2 363.425 3.273 20 30 FGEDLO COc1cccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000409929012 499630138 /nfs/dbraw/zinc/63/01/38/499630138.db2.gz ZDLJIGHBRBBEDG-QGZVFWFLSA-N 1 2 363.461 3.015 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000376841239 499639780 /nfs/dbraw/zinc/63/97/80/499639780.db2.gz GWZIXRJNUJVTGU-GFCCVEGCSA-N 1 2 365.368 3.037 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscc2C#N)[C@H](C)C1 ZINC000410820929 499681162 /nfs/dbraw/zinc/68/11/62/499681162.db2.gz GTMFORSJNGLKMN-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscc2C#N)[C@H](C)C1 ZINC000410820929 499681163 /nfs/dbraw/zinc/68/11/63/499681163.db2.gz GTMFORSJNGLKMN-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000411515263 499750081 /nfs/dbraw/zinc/75/00/81/499750081.db2.gz VFFNYLINSCULNA-HOTGVXAUSA-N 1 2 373.478 3.322 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000582219222 506161038 /nfs/dbraw/zinc/16/10/38/506161038.db2.gz VIJRXFAQZIXTMF-NRFANRHFSA-N 1 2 373.460 3.432 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000582219222 506161042 /nfs/dbraw/zinc/16/10/42/506161042.db2.gz VIJRXFAQZIXTMF-NRFANRHFSA-N 1 2 373.460 3.432 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CCC(C)(C)C#N ZINC000573288597 506161421 /nfs/dbraw/zinc/16/14/21/506161421.db2.gz AVFZRDPAYUREIK-INIZCTEOSA-N 1 2 374.510 3.079 20 30 FGEDLO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413041921 499906503 /nfs/dbraw/zinc/90/65/03/499906503.db2.gz HWAOLHZXGGBOIM-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000413239708 499931248 /nfs/dbraw/zinc/93/12/48/499931248.db2.gz ULMGRAQSMOJTPV-OAHLLOKOSA-N 1 2 366.387 3.432 20 30 FGEDLO C=CCC1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)CCOCC1 ZINC000424871093 499958987 /nfs/dbraw/zinc/95/89/87/499958987.db2.gz ZYQAXMIDXUICNO-AWEZNQCLSA-N 1 2 357.454 3.209 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1cc[nH+]c1 ZINC000425091013 500016499 /nfs/dbraw/zinc/01/64/99/500016499.db2.gz WCKGCRVIHXOFSD-ZDUSSCGKSA-N 1 2 350.344 3.233 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000579429832 506171897 /nfs/dbraw/zinc/17/18/97/506171897.db2.gz IYKPTCXZGDIHLY-HOCLYGCPSA-N 1 2 364.515 3.232 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(C#N)c[nH+]1 ZINC000425226368 500049232 /nfs/dbraw/zinc/04/92/32/500049232.db2.gz NPXBJNWVXBDMQA-UHFFFAOYSA-N 1 2 358.804 3.017 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000425543352 500139491 /nfs/dbraw/zinc/13/94/91/500139491.db2.gz ZIDUSGLMIWXSIC-GFCCVEGCSA-N 1 2 357.483 3.339 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000425543352 500139492 /nfs/dbraw/zinc/13/94/92/500139492.db2.gz ZIDUSGLMIWXSIC-GFCCVEGCSA-N 1 2 357.483 3.339 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425611180 500160097 /nfs/dbraw/zinc/16/00/97/500160097.db2.gz NWROOFBUAJSYKI-OWCLPIDISA-N 1 2 360.889 3.420 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000425823914 500201880 /nfs/dbraw/zinc/20/18/80/500201880.db2.gz PAWHOHVBTBRYKL-HNNXBMFYSA-N 1 2 350.422 3.037 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207014 500209004 /nfs/dbraw/zinc/20/90/04/500209004.db2.gz YDUDZNYJXCGBEW-UHFFFAOYSA-N 1 2 355.394 3.124 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430207014 500209006 /nfs/dbraw/zinc/20/90/06/500209006.db2.gz YDUDZNYJXCGBEW-UHFFFAOYSA-N 1 2 355.394 3.124 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430324760 500226786 /nfs/dbraw/zinc/22/67/86/500226786.db2.gz UOEHMGDEAOPQTJ-UHFFFAOYSA-N 1 2 371.444 3.032 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430324760 500226789 /nfs/dbraw/zinc/22/67/89/500226789.db2.gz UOEHMGDEAOPQTJ-UHFFFAOYSA-N 1 2 371.444 3.032 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000419321846 500353074 /nfs/dbraw/zinc/35/30/74/500353074.db2.gz FUJANKKLYSLRIJ-QGZVFWFLSA-N 1 2 353.422 3.250 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000419321846 500353077 /nfs/dbraw/zinc/35/30/77/500353077.db2.gz FUJANKKLYSLRIJ-QGZVFWFLSA-N 1 2 353.422 3.250 20 30 FGEDLO C=CCC[C@@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000419931100 500407911 /nfs/dbraw/zinc/40/79/11/500407911.db2.gz ZQYYSXIYHVOAJI-LSDHHAIUSA-N 1 2 358.829 3.050 20 30 FGEDLO C=CCC[C@H]1NC(=O)N([C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000419954070 500409832 /nfs/dbraw/zinc/40/98/32/500409832.db2.gz PYSLERLYEUOCFJ-QZTJIDSGSA-N 1 2 352.438 3.128 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000427703682 500422253 /nfs/dbraw/zinc/42/22/53/500422253.db2.gz AQMYWIBIMWNTHT-INIZCTEOSA-N 1 2 351.406 3.380 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc(F)c3C#N)CC2)s1 ZINC000428493867 500517265 /nfs/dbraw/zinc/51/72/65/500517265.db2.gz MFLVYOMRMDTTCI-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCOCC1 ZINC000424660647 500537193 /nfs/dbraw/zinc/53/71/93/500537193.db2.gz JLARBSIKJDCINL-UHFFFAOYSA-N 1 2 357.498 3.451 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)O[C@@H](CC)C2)cc1 ZINC000420955151 500540913 /nfs/dbraw/zinc/54/09/13/500540913.db2.gz VWPGWLVERNTMHS-KDURUIRLSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)O[C@@H](CC)C2)cc1 ZINC000420955151 500540916 /nfs/dbraw/zinc/54/09/16/500540916.db2.gz VWPGWLVERNTMHS-KDURUIRLSA-N 1 2 373.497 3.221 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)CCOCC1 ZINC000424687800 500542754 /nfs/dbraw/zinc/54/27/54/500542754.db2.gz VQSWSMOWGDMPJB-UHFFFAOYSA-N 1 2 362.539 3.328 20 30 FGEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030459 500560024 /nfs/dbraw/zinc/56/00/24/500560024.db2.gz VTXNDSKMESCSAO-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000421030459 500560026 /nfs/dbraw/zinc/56/00/26/500560026.db2.gz VTXNDSKMESCSAO-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000432961313 500598398 /nfs/dbraw/zinc/59/83/98/500598398.db2.gz RREVUFZOSKRQAR-UHFFFAOYSA-N 1 2 350.300 3.302 20 30 FGEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126163 500605046 /nfs/dbraw/zinc/60/50/46/500605046.db2.gz RDTKCGDCBNFQBI-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126163 500605049 /nfs/dbraw/zinc/60/50/49/500605049.db2.gz RDTKCGDCBNFQBI-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000437602986 500667645 /nfs/dbraw/zinc/66/76/45/500667645.db2.gz NNPXRTWLALRYPV-IBGZPJMESA-N 1 2 359.433 3.221 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000437602986 500667649 /nfs/dbraw/zinc/66/76/49/500667649.db2.gz NNPXRTWLALRYPV-IBGZPJMESA-N 1 2 359.433 3.221 20 30 FGEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(OC)c1 ZINC000443052056 500669963 /nfs/dbraw/zinc/66/99/63/500669963.db2.gz PLBDGEXNVOMFLV-UHFFFAOYSA-N 1 2 364.449 3.377 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@H+](C)CC(C)(C)C#N)nc(N)c23)C1 ZINC000433317367 500670759 /nfs/dbraw/zinc/67/07/59/500670759.db2.gz IMVWZMYVPAIHLE-GFCCVEGCSA-N 1 2 357.527 3.422 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)CC(C)(C)C#N)nc(N)c23)C1 ZINC000433317367 500670762 /nfs/dbraw/zinc/67/07/62/500670762.db2.gz IMVWZMYVPAIHLE-GFCCVEGCSA-N 1 2 357.527 3.422 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000437646540 500675442 /nfs/dbraw/zinc/67/54/42/500675442.db2.gz OYZUNTUDWZVJJC-VQIMIIECSA-N 1 2 356.470 3.015 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448225201 500735778 /nfs/dbraw/zinc/73/57/78/500735778.db2.gz VIWBFSYZGGGHLZ-JOCHJYFZSA-N 1 2 357.461 3.255 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)cc1 ZINC000438918603 500834949 /nfs/dbraw/zinc/83/49/49/500834949.db2.gz NTVSHRQRWBGBRC-UPVQGACJSA-N 1 2 371.484 3.107 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611580504 506221954 /nfs/dbraw/zinc/22/19/54/506221954.db2.gz WZTQSBWMFRBMMI-KRWDZBQOSA-N 1 2 365.424 3.254 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611580504 506221958 /nfs/dbraw/zinc/22/19/58/506221958.db2.gz WZTQSBWMFRBMMI-KRWDZBQOSA-N 1 2 365.424 3.254 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)oc1C ZINC000444767004 500894716 /nfs/dbraw/zinc/89/47/16/500894716.db2.gz OAEVFRPCRRMVEG-UHFFFAOYSA-N 1 2 373.840 3.222 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)c(Cl)c1 ZINC000444769179 500895929 /nfs/dbraw/zinc/89/59/29/500895929.db2.gz WOSFNBSPMZBNLO-VWLOTQADSA-N 1 2 373.909 3.141 20 30 FGEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000439488756 500905471 /nfs/dbraw/zinc/90/54/71/500905471.db2.gz BBZSFHGWNUGGCC-SFHVURJKSA-N 1 2 366.421 3.125 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000434977792 500918292 /nfs/dbraw/zinc/91/82/92/500918292.db2.gz JRBVINLJQSIKKP-RACPOZDESA-N 1 2 362.433 3.490 20 30 FGEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000435047047 500926802 /nfs/dbraw/zinc/92/68/02/500926802.db2.gz AKEFDCQCQYFTMQ-WEVVVXLNSA-N 1 2 371.484 3.447 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435604515 501000366 /nfs/dbraw/zinc/00/03/66/501000366.db2.gz DXRIANANTWZOSQ-BEFAXECRSA-N 1 2 368.437 3.429 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1OC ZINC000449526453 501025392 /nfs/dbraw/zinc/02/53/92/501025392.db2.gz DUWJXANQCVTMTQ-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1OC ZINC000449526453 501025396 /nfs/dbraw/zinc/02/53/96/501025396.db2.gz DUWJXANQCVTMTQ-QGZVFWFLSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CCCC1 ZINC000449637209 501047057 /nfs/dbraw/zinc/04/70/57/501047057.db2.gz YTWLXYONAPZNLJ-IAGOWNOFSA-N 1 2 357.498 3.448 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611622527 506233054 /nfs/dbraw/zinc/23/30/54/506233054.db2.gz VKUVNRAUAKJBGN-KRWDZBQOSA-N 1 2 361.492 3.026 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611622527 506233057 /nfs/dbraw/zinc/23/30/57/506233057.db2.gz VKUVNRAUAKJBGN-KRWDZBQOSA-N 1 2 361.492 3.026 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)c(C)n2)c(C)c1 ZINC000441480841 501146088 /nfs/dbraw/zinc/14/60/88/501146088.db2.gz YYFXGMRIZLGYFA-HXUWFJFHSA-N 1 2 359.433 3.246 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316787 501231852 /nfs/dbraw/zinc/23/18/52/501231852.db2.gz GBZRAFABLGVGRB-XJKSGUPXSA-N 1 2 372.450 3.402 20 30 FGEDLO C[C@H]1C[N@H+]([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316787 501231853 /nfs/dbraw/zinc/23/18/53/501231853.db2.gz GBZRAFABLGVGRB-XJKSGUPXSA-N 1 2 372.450 3.402 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCCC(=O)c3ccccc3)CC2)c1C#N ZINC000451045592 501241523 /nfs/dbraw/zinc/24/15/23/501241523.db2.gz MRWQNUACEDYYFQ-UHFFFAOYSA-N 1 2 354.479 3.108 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000455455340 501306837 /nfs/dbraw/zinc/30/68/37/501306837.db2.gz CRTNACMRHQSAJS-ZDUSSCGKSA-N 1 2 364.371 3.334 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455763795 501381084 /nfs/dbraw/zinc/38/10/84/501381084.db2.gz DVWZUBIZXZKJGY-AWEZNQCLSA-N 1 2 367.453 3.490 20 30 FGEDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451981877 501413097 /nfs/dbraw/zinc/41/30/97/501413097.db2.gz FHUCTNBTJZTHBC-GOSISDBHSA-N 1 2 373.453 3.012 20 30 FGEDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451981877 501413099 /nfs/dbraw/zinc/41/30/99/501413099.db2.gz FHUCTNBTJZTHBC-GOSISDBHSA-N 1 2 373.453 3.012 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000453960627 501433616 /nfs/dbraw/zinc/43/36/16/501433616.db2.gz CSOZCGSHKUIAQU-WMLDXEAASA-N 1 2 366.465 3.496 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2[nH+]ccn21 ZINC000456377551 501512757 /nfs/dbraw/zinc/51/27/57/501512757.db2.gz LBVQMCWTOOUSCF-DYVFJYSZSA-N 1 2 362.389 3.363 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459366371 501640379 /nfs/dbraw/zinc/64/03/79/501640379.db2.gz CIBKZJZQXTVYRD-HNNXBMFYSA-N 1 2 368.412 3.484 20 30 FGEDLO Cc1nsc(NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1C#N ZINC000459552152 501675198 /nfs/dbraw/zinc/67/51/98/501675198.db2.gz RRCBUQTXHOAWDA-UHFFFAOYSA-N 1 2 370.482 3.276 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@H](C)O[C@@H](CC)C3)c2C#N)C[C@H](C)O1 ZINC000596119061 506268654 /nfs/dbraw/zinc/26/86/54/506268654.db2.gz KARIGYIYZCZCJS-FJIDUMEYSA-N 1 2 372.513 3.269 20 30 FGEDLO N#CC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCCC1 ZINC000485288528 501778225 /nfs/dbraw/zinc/77/82/25/501778225.db2.gz QZNDZJZBFCQOGH-UHFFFAOYSA-N 1 2 362.437 3.346 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000460510959 501844719 /nfs/dbraw/zinc/84/47/19/501844719.db2.gz KWCWVXNYGZHVQC-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470904297 501848080 /nfs/dbraw/zinc/84/80/80/501848080.db2.gz TYRAZTGDJWHOBK-RDTXWAMCSA-N 1 2 361.873 3.086 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470904297 501848086 /nfs/dbraw/zinc/84/80/86/501848086.db2.gz TYRAZTGDJWHOBK-RDTXWAMCSA-N 1 2 361.873 3.086 20 30 FGEDLO Cc1noc(C)c1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470992928 501884826 /nfs/dbraw/zinc/88/48/26/501884826.db2.gz JHTRPCNFCVCZTP-IBGZPJMESA-N 1 2 358.873 3.370 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000471019525 501893076 /nfs/dbraw/zinc/89/30/76/501893076.db2.gz QHLAKKSBKDNGNB-QGZVFWFLSA-N 1 2 373.840 3.102 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C)c1F ZINC000478180770 501901758 /nfs/dbraw/zinc/90/17/58/501901758.db2.gz PVIVHLFCGQSKBI-UHFFFAOYSA-N 1 2 351.425 3.272 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000474691940 501922899 /nfs/dbraw/zinc/92/28/99/501922899.db2.gz BNQAGKBFARSGOO-LLVKDONJSA-N 1 2 354.360 3.372 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c(C#N)c1C ZINC000471151421 501936812 /nfs/dbraw/zinc/93/68/12/501936812.db2.gz MPJLUDJJXNUJGU-CQSZACIVSA-N 1 2 368.437 3.034 20 30 FGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485826479 501952162 /nfs/dbraw/zinc/95/21/62/501952162.db2.gz RYZKZGMGUMACAB-IBGZPJMESA-N 1 2 355.388 3.464 20 30 FGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485826479 501952164 /nfs/dbraw/zinc/95/21/64/501952164.db2.gz RYZKZGMGUMACAB-IBGZPJMESA-N 1 2 355.388 3.464 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000485857676 501963536 /nfs/dbraw/zinc/96/35/36/501963536.db2.gz HWAGRCVFUYLIMN-UHFFFAOYSA-N 1 2 369.415 3.332 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000478425753 501977704 /nfs/dbraw/zinc/97/77/04/501977704.db2.gz IFLCFTRYIGMMNO-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000478425753 501977708 /nfs/dbraw/zinc/97/77/08/501977708.db2.gz IFLCFTRYIGMMNO-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO CC(C)CC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000464755769 502083527 /nfs/dbraw/zinc/08/35/27/502083527.db2.gz IRNQBXBIMZKLQO-UHFFFAOYSA-N 1 2 354.498 3.212 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1c(F)ccc(I)c1F ZINC000475199368 502097402 /nfs/dbraw/zinc/09/74/02/502097402.db2.gz UVPBZHFJVBLZQN-UHFFFAOYSA-N 1 2 367.177 3.204 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1c(F)ccc(I)c1F ZINC000475199368 502097407 /nfs/dbraw/zinc/09/74/07/502097407.db2.gz UVPBZHFJVBLZQN-UHFFFAOYSA-N 1 2 367.177 3.204 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3cccc(C#N)c3)CC2)c1 ZINC000468644868 502134507 /nfs/dbraw/zinc/13/45/07/502134507.db2.gz HWAIULNYXVBMNK-UHFFFAOYSA-N 1 2 365.502 3.303 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000475346884 502142985 /nfs/dbraw/zinc/14/29/85/502142985.db2.gz DXMHNQAPLLLOML-FQEVSTJZSA-N 1 2 365.868 3.370 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C#N ZINC000471816256 502144794 /nfs/dbraw/zinc/14/47/94/502144794.db2.gz NNYYKVFACXSAIX-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000461785155 502200395 /nfs/dbraw/zinc/20/03/95/502200395.db2.gz NJNCOKBZVJPRNH-AUUYWEPGSA-N 1 2 362.408 3.440 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)Nc3c[nH+]ccc3-n3cccn3)on2)c1 ZINC000468868944 502212744 /nfs/dbraw/zinc/21/27/44/502212744.db2.gz GDWQHJWOLGOXPQ-UHFFFAOYSA-N 1 2 356.345 3.046 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000465407127 502252474 /nfs/dbraw/zinc/25/24/74/502252474.db2.gz QQAVWUYUDYUMLP-ZDUSSCGKSA-N 1 2 353.451 3.035 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000465407127 502252477 /nfs/dbraw/zinc/25/24/77/502252477.db2.gz QQAVWUYUDYUMLP-ZDUSSCGKSA-N 1 2 353.451 3.035 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)C[C@@H](C)O1 ZINC000602795951 506302463 /nfs/dbraw/zinc/30/24/63/506302463.db2.gz PGFQIJWXRKAYGQ-PDOICOKGSA-N 1 2 370.497 3.452 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)cc1 ZINC000469145891 502313541 /nfs/dbraw/zinc/31/35/41/502313541.db2.gz YIBDVVDOVDVUEH-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H](C)C2)cc1 ZINC000469145891 502313548 /nfs/dbraw/zinc/31/35/48/502313548.db2.gz YIBDVVDOVDVUEH-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472439496 502352816 /nfs/dbraw/zinc/35/28/16/502352816.db2.gz NCILQCODJPJVQV-UHFFFAOYSA-N 1 2 367.453 3.182 20 30 FGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472439496 502352821 /nfs/dbraw/zinc/35/28/21/502352821.db2.gz NCILQCODJPJVQV-UHFFFAOYSA-N 1 2 367.453 3.182 20 30 FGEDLO CC[C@@]1(C)CN(c2cc(C)[nH+]c(N3CCO[C@@](C)(CC)C3)c2C#N)CCO1 ZINC000596203546 506308900 /nfs/dbraw/zinc/30/89/00/506308900.db2.gz PHIACHQRQOXLPW-SFTDATJTSA-N 1 2 372.513 3.272 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469434320 502415692 /nfs/dbraw/zinc/41/56/92/502415692.db2.gz OIMMNKYCPDBIQP-ICSRJNTNSA-N 1 2 365.433 3.037 20 30 FGEDLO Cc1cccn2cc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)[nH+]c12 ZINC000480063889 502461617 /nfs/dbraw/zinc/46/16/17/502461617.db2.gz GROZFMHECIOBOB-UHFFFAOYSA-N 1 2 370.460 3.474 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C1CC1 ZINC000487836277 502543087 /nfs/dbraw/zinc/54/30/87/502543087.db2.gz KZEFRKYMZWDNDQ-AWEZNQCLSA-N 1 2 374.242 3.327 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000466399053 502558634 /nfs/dbraw/zinc/55/86/34/502558634.db2.gz LSNCTORSWUVWJW-ICSRJNTNSA-N 1 2 359.514 3.274 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CC2(CC#N)CC2)c1 ZINC000602842210 506323555 /nfs/dbraw/zinc/32/35/55/506323555.db2.gz QUMUFEGMELZKBJ-OAHLLOKOSA-N 1 2 353.260 3.117 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000602842210 506323560 /nfs/dbraw/zinc/32/35/60/506323560.db2.gz QUMUFEGMELZKBJ-OAHLLOKOSA-N 1 2 353.260 3.117 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000484339009 502627927 /nfs/dbraw/zinc/62/79/27/502627927.db2.gz VJVQTOJVQKSPHM-UHFFFAOYSA-N 1 2 368.437 3.016 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484540980 502664899 /nfs/dbraw/zinc/66/48/99/502664899.db2.gz FNHFXCKYDSKQJC-NRFANRHFSA-N 1 2 352.434 3.107 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000484540980 502664902 /nfs/dbraw/zinc/66/49/02/502664902.db2.gz FNHFXCKYDSKQJC-NRFANRHFSA-N 1 2 352.434 3.107 20 30 FGEDLO CCc1nnc(C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)[nH]1 ZINC000484737462 502725383 /nfs/dbraw/zinc/72/53/83/502725383.db2.gz OCSOZYNKRVOYBQ-UHFFFAOYSA-N 1 2 361.396 3.220 20 30 FGEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n1 ZINC000484737462 502725390 /nfs/dbraw/zinc/72/53/90/502725390.db2.gz OCSOZYNKRVOYBQ-UHFFFAOYSA-N 1 2 361.396 3.220 20 30 FGEDLO CCc1nc(C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n[nH]1 ZINC000484737462 502725396 /nfs/dbraw/zinc/72/53/96/502725396.db2.gz OCSOZYNKRVOYBQ-UHFFFAOYSA-N 1 2 361.396 3.220 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477489909 502787807 /nfs/dbraw/zinc/78/78/07/502787807.db2.gz CXMOFNOMCALDAW-SJORKVTESA-N 1 2 374.909 3.498 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477489909 502787812 /nfs/dbraw/zinc/78/78/12/502787812.db2.gz CXMOFNOMCALDAW-SJORKVTESA-N 1 2 374.909 3.498 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481231397 502790589 /nfs/dbraw/zinc/79/05/89/502790589.db2.gz DNCRGGZNTXLHNP-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000484995485 502795397 /nfs/dbraw/zinc/79/53/97/502795397.db2.gz UJCOIEYEHMTQCM-UHFFFAOYSA-N 1 2 365.452 3.319 20 30 FGEDLO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000500834164 502874347 /nfs/dbraw/zinc/87/43/47/502874347.db2.gz JOCAWBORZZJINU-HLIPFELVSA-N 1 2 354.498 3.210 20 30 FGEDLO CCOC(=O)c1ccc(C#N)c(SCc2cn3c(cccc3C)[nH+]2)n1 ZINC000497328068 502933097 /nfs/dbraw/zinc/93/30/97/502933097.db2.gz ACMBVQBOTCLOIG-UHFFFAOYSA-N 1 2 352.419 3.378 20 30 FGEDLO N#Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cnc1C(F)(F)F ZINC000497723192 503024702 /nfs/dbraw/zinc/02/47/02/503024702.db2.gz JNZJEUSGUXYGMH-UHFFFAOYSA-N 1 2 371.322 3.088 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3noc(Cc4ccccc4)n3)CC2)nc1 ZINC000602910314 506347998 /nfs/dbraw/zinc/34/79/98/506347998.db2.gz QAECXYXBMWJRRW-UHFFFAOYSA-N 1 2 359.433 3.307 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)nc1 ZINC000602913078 506349820 /nfs/dbraw/zinc/34/98/20/506349820.db2.gz RXHUUYNCXIZKCK-UHFFFAOYSA-N 1 2 356.376 3.050 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000506497666 503126397 /nfs/dbraw/zinc/12/63/97/503126397.db2.gz ZGWJWUHKCACAJG-UHFFFAOYSA-N 1 2 350.462 3.138 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)C1 ZINC000514784369 503191623 /nfs/dbraw/zinc/19/16/23/503191623.db2.gz LAGATIKRHCTGCW-FNHZYXHNSA-N 1 2 363.465 3.045 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)C1 ZINC000514784369 503191627 /nfs/dbraw/zinc/19/16/27/503191627.db2.gz LAGATIKRHCTGCW-FNHZYXHNSA-N 1 2 363.465 3.045 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000511006206 503234770 /nfs/dbraw/zinc/23/47/70/503234770.db2.gz XWOKIXUOKYTLPS-UHFFFAOYSA-N 1 2 366.421 3.259 20 30 FGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507198171 503248265 /nfs/dbraw/zinc/24/82/65/503248265.db2.gz VAZXXPYXELUBNT-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000507214700 503251515 /nfs/dbraw/zinc/25/15/15/503251515.db2.gz WWDSQLSDTDQRKS-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000491424678 503305447 /nfs/dbraw/zinc/30/54/47/503305447.db2.gz WIYANJFLTUHVLM-UHFFFAOYSA-N 1 2 368.481 3.334 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000491424678 503305451 /nfs/dbraw/zinc/30/54/51/503305451.db2.gz WIYANJFLTUHVLM-UHFFFAOYSA-N 1 2 368.481 3.334 20 30 FGEDLO C[C@](CO)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000511572049 503345769 /nfs/dbraw/zinc/34/57/69/503345769.db2.gz CYZNTHMKJJAHHN-QGZVFWFLSA-N 1 2 363.230 3.457 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(OC(F)F)c1 ZINC000511650350 503361832 /nfs/dbraw/zinc/36/18/32/503361832.db2.gz SWGHTSRYUTULOL-STQMWFEESA-N 1 2 364.314 3.152 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(OC(F)F)c1 ZINC000511650350 503361836 /nfs/dbraw/zinc/36/18/36/503361836.db2.gz SWGHTSRYUTULOL-STQMWFEESA-N 1 2 364.314 3.152 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000507803401 503369610 /nfs/dbraw/zinc/36/96/10/503369610.db2.gz IAIJMUGGLPZVDF-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974405 506369715 /nfs/dbraw/zinc/36/97/15/506369715.db2.gz NWSXRYPPTQUUOF-UYAOXDASSA-N 1 2 351.450 3.432 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602974405 506369726 /nfs/dbraw/zinc/36/97/26/506369726.db2.gz NWSXRYPPTQUUOF-UYAOXDASSA-N 1 2 351.450 3.432 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000503626002 503447565 /nfs/dbraw/zinc/44/75/65/503447565.db2.gz HXJIMZQFDRDDDQ-INIZCTEOSA-N 1 2 366.440 3.286 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)OCC ZINC000508288728 503469137 /nfs/dbraw/zinc/46/91/37/503469137.db2.gz OBRNDTPVFJCFIU-WIYYLYMNSA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)OCC ZINC000508288728 503469139 /nfs/dbraw/zinc/46/91/39/503469139.db2.gz OBRNDTPVFJCFIU-WIYYLYMNSA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000512164700 503473864 /nfs/dbraw/zinc/47/38/64/503473864.db2.gz OUFDSYXBPVGLLX-KRWDZBQOSA-N 1 2 356.466 3.370 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000512164700 503473866 /nfs/dbraw/zinc/47/38/66/503473866.db2.gz OUFDSYXBPVGLLX-KRWDZBQOSA-N 1 2 356.466 3.370 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000508319979 503474441 /nfs/dbraw/zinc/47/44/41/503474441.db2.gz ZKJHBHWVJYVDNN-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000508319979 503474445 /nfs/dbraw/zinc/47/44/45/503474445.db2.gz ZKJHBHWVJYVDNN-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(CC)Cc1ccccc1)Cc1ccc(CO)o1 ZINC000512191672 503481213 /nfs/dbraw/zinc/48/12/13/503481213.db2.gz AKJRHGSFONJJIO-UHFFFAOYSA-N 1 2 356.466 3.199 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(CC)Cc1ccccc1)Cc1ccc(CO)o1 ZINC000512191672 503481217 /nfs/dbraw/zinc/48/12/17/503481217.db2.gz AKJRHGSFONJJIO-UHFFFAOYSA-N 1 2 356.466 3.199 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512231036 503492774 /nfs/dbraw/zinc/49/27/74/503492774.db2.gz XRUJAVVLNZGLQI-UHFFFAOYSA-N 1 2 368.477 3.341 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512231036 503492777 /nfs/dbraw/zinc/49/27/77/503492777.db2.gz XRUJAVVLNZGLQI-UHFFFAOYSA-N 1 2 368.477 3.341 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494245270 503511348 /nfs/dbraw/zinc/51/13/48/503511348.db2.gz PTZRZHMFFBQWDD-INIZCTEOSA-N 1 2 370.266 3.074 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494245270 503511352 /nfs/dbraw/zinc/51/13/52/503511352.db2.gz PTZRZHMFFBQWDD-INIZCTEOSA-N 1 2 370.266 3.074 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494268493 503517024 /nfs/dbraw/zinc/51/70/24/503517024.db2.gz OZYHUUKAJNNRDX-LLVKDONJSA-N 1 2 372.694 3.295 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494268493 503517026 /nfs/dbraw/zinc/51/70/26/503517026.db2.gz OZYHUUKAJNNRDX-LLVKDONJSA-N 1 2 372.694 3.295 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504413326 503570678 /nfs/dbraw/zinc/57/06/78/503570678.db2.gz JGTCXGUXFOZTNH-CJNGLKHVSA-N 1 2 364.287 3.204 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000512557125 503584022 /nfs/dbraw/zinc/58/40/22/503584022.db2.gz LYDNPROQIICJMD-UHFFFAOYSA-N 1 2 365.481 3.030 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000512557125 503584024 /nfs/dbraw/zinc/58/40/24/503584024.db2.gz LYDNPROQIICJMD-UHFFFAOYSA-N 1 2 365.481 3.030 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494664316 503586946 /nfs/dbraw/zinc/58/69/46/503586946.db2.gz XRTYAWYXTWPRAY-DZGCQCFKSA-N 1 2 373.522 3.326 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494664316 503586952 /nfs/dbraw/zinc/58/69/52/503586952.db2.gz XRTYAWYXTWPRAY-DZGCQCFKSA-N 1 2 373.522 3.326 20 30 FGEDLO CCn1cc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)C)cn1 ZINC000593080301 506380946 /nfs/dbraw/zinc/38/09/46/506380946.db2.gz LSDJKTZHKFMSFC-UHFFFAOYSA-N 1 2 359.499 3.302 20 30 FGEDLO CCn1cc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C(C)C)cn1 ZINC000593080301 506380948 /nfs/dbraw/zinc/38/09/48/506380948.db2.gz LSDJKTZHKFMSFC-UHFFFAOYSA-N 1 2 359.499 3.302 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533025842 503703944 /nfs/dbraw/zinc/70/39/44/503703944.db2.gz LFUUQOCMZOOYBZ-KRWDZBQOSA-N 1 2 352.463 3.473 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533025842 503703947 /nfs/dbraw/zinc/70/39/47/503703947.db2.gz LFUUQOCMZOOYBZ-KRWDZBQOSA-N 1 2 352.463 3.473 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1C#N ZINC000540332329 503740047 /nfs/dbraw/zinc/74/00/47/503740047.db2.gz KEVZAUFFQMXAIH-ZDUSSCGKSA-N 1 2 351.406 3.154 20 30 FGEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000546550796 503783914 /nfs/dbraw/zinc/78/39/14/503783914.db2.gz OWXSUNYWLQBLSY-UHFFFAOYSA-N 1 2 358.361 3.120 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C#N)CC2)c(C)c1 ZINC000533543335 503883116 /nfs/dbraw/zinc/88/31/16/503883116.db2.gz UMERLBVDEMAABY-LJQANCHMSA-N 1 2 351.454 3.186 20 30 FGEDLO Cc1ccccc1C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527683851 503893884 /nfs/dbraw/zinc/89/38/84/503893884.db2.gz AKMGOQFMLUSEMI-IBGZPJMESA-N 1 2 361.489 3.390 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543806308 503899952 /nfs/dbraw/zinc/89/99/52/503899952.db2.gz BRWJKKMKUWGRAZ-UHFFFAOYSA-N 1 2 363.483 3.051 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3cn4cc(Cl)ccc4[nH+]3)n2)c(F)c1 ZINC000541075839 503997573 /nfs/dbraw/zinc/99/75/73/503997573.db2.gz RAPSQDXDIBOWSR-UHFFFAOYSA-N 1 2 366.787 3.218 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000537679896 504003564 /nfs/dbraw/zinc/00/35/64/504003564.db2.gz VCRMWAVJGXFRRP-ROUUACIJSA-N 1 2 359.489 3.093 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000537679896 504003566 /nfs/dbraw/zinc/00/35/66/504003566.db2.gz VCRMWAVJGXFRRP-ROUUACIJSA-N 1 2 359.489 3.093 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163238 504027228 /nfs/dbraw/zinc/02/72/28/504027228.db2.gz NOQONTDFOBMSEO-LPHOPBHVSA-N 1 2 370.415 3.338 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163238 504027233 /nfs/dbraw/zinc/02/72/33/504027233.db2.gz NOQONTDFOBMSEO-LPHOPBHVSA-N 1 2 370.415 3.338 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1C#N ZINC000534486890 504155702 /nfs/dbraw/zinc/15/57/02/504155702.db2.gz LZOQVOCDBDNKGR-KRWDZBQOSA-N 1 2 354.406 3.119 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1C#N ZINC000534486890 504155706 /nfs/dbraw/zinc/15/57/06/504155706.db2.gz LZOQVOCDBDNKGR-KRWDZBQOSA-N 1 2 354.406 3.119 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000544518988 504160555 /nfs/dbraw/zinc/16/05/55/504160555.db2.gz QWDUNAKSBOFTGG-NJSLBKSFSA-N 1 2 361.490 3.211 20 30 FGEDLO N#Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1F ZINC000547755893 504213125 /nfs/dbraw/zinc/21/31/25/504213125.db2.gz LITOWIHFPYHONH-UHFFFAOYSA-N 1 2 350.353 3.225 20 30 FGEDLO C=CC[C@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544684198 504216321 /nfs/dbraw/zinc/21/63/21/504216321.db2.gz IPDRIYHZEMSERQ-LBPRGKRZSA-N 1 2 365.275 3.212 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000519696522 504307234 /nfs/dbraw/zinc/30/72/34/504307234.db2.gz XAMHGFLHARMCCR-CYBMUJFWSA-N 1 2 358.243 3.168 20 30 FGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000519786995 504337926 /nfs/dbraw/zinc/33/79/26/504337926.db2.gz DVZWKHBLKXPERL-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000519786995 504337928 /nfs/dbraw/zinc/33/79/28/504337928.db2.gz DVZWKHBLKXPERL-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO CC(C)CCc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528781158 504376192 /nfs/dbraw/zinc/37/61/92/504376192.db2.gz GESVBJBATBNSQR-UHFFFAOYSA-N 1 2 354.454 3.325 20 30 FGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538937027 504421552 /nfs/dbraw/zinc/42/15/52/504421552.db2.gz YFCAOAMWLFXTHC-UHFFFAOYSA-N 1 2 370.334 3.068 20 30 FGEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000535567505 504472071 /nfs/dbraw/zinc/47/20/71/504472071.db2.gz RTPKOECKHCIUBF-IBGZPJMESA-N 1 2 363.889 3.396 20 30 FGEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000535567505 504472075 /nfs/dbraw/zinc/47/20/75/504472075.db2.gz RTPKOECKHCIUBF-IBGZPJMESA-N 1 2 363.889 3.396 20 30 FGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000548792308 504568689 /nfs/dbraw/zinc/56/86/89/504568689.db2.gz KISYEXJMXHBUHI-UHFFFAOYSA-N 1 2 364.380 3.191 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)OCC ZINC000535911804 504580082 /nfs/dbraw/zinc/58/00/82/504580082.db2.gz ULRHTMYDYKTYBT-SFHVURJKSA-N 1 2 350.890 3.356 20 30 FGEDLO C=CCCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000520835021 504593150 /nfs/dbraw/zinc/59/31/50/504593150.db2.gz VNPXTJNPZSBWRW-INIZCTEOSA-N 1 2 351.516 3.167 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000536004897 504604544 /nfs/dbraw/zinc/60/45/44/504604544.db2.gz YPLCYZSNZHGVTA-UHFFFAOYSA-N 1 2 353.422 3.440 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000536004897 504604552 /nfs/dbraw/zinc/60/45/52/504604552.db2.gz YPLCYZSNZHGVTA-UHFFFAOYSA-N 1 2 353.422 3.440 20 30 FGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1C#N ZINC000546035407 504682134 /nfs/dbraw/zinc/68/21/34/504682134.db2.gz PUXUXZZCQZERLD-UHFFFAOYSA-N 1 2 362.433 3.256 20 30 FGEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000539864144 504722553 /nfs/dbraw/zinc/72/25/53/504722553.db2.gz SPQHOYCTURNMSP-HZPDHXFCSA-N 1 2 373.497 3.065 20 30 FGEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000539864144 504722559 /nfs/dbraw/zinc/72/25/59/504722559.db2.gz SPQHOYCTURNMSP-HZPDHXFCSA-N 1 2 373.497 3.065 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000532760258 504753561 /nfs/dbraw/zinc/75/35/61/504753561.db2.gz ZNWGTBLLGFBRGJ-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000559259191 504811187 /nfs/dbraw/zinc/81/11/87/504811187.db2.gz KFOBLZREXATJQA-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(OC(F)F)cc1C ZINC000559305107 504826071 /nfs/dbraw/zinc/82/60/71/504826071.db2.gz UKYUZXUBBSPSGJ-UHFFFAOYSA-N 1 2 372.419 3.494 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(COc2ccc(F)cc2)c1 ZINC000565416641 504881954 /nfs/dbraw/zinc/88/19/54/504881954.db2.gz AIGMCXKALPUHKC-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(COc2ccc(F)cc2)c1 ZINC000565416641 504881958 /nfs/dbraw/zinc/88/19/58/504881958.db2.gz AIGMCXKALPUHKC-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000549734548 504884002 /nfs/dbraw/zinc/88/40/02/504884002.db2.gz FXYCRTNESJKYMO-CQSZACIVSA-N 1 2 361.440 3.324 20 30 FGEDLO CC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000553494245 504930744 /nfs/dbraw/zinc/93/07/44/504930744.db2.gz LOKBOTLPJLHXHS-WBVHZDCISA-N 1 2 361.371 3.321 20 30 FGEDLO CC[N@H+]1CC[C@@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000553494245 504930746 /nfs/dbraw/zinc/93/07/46/504930746.db2.gz LOKBOTLPJLHXHS-WBVHZDCISA-N 1 2 361.371 3.321 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000565657874 504951313 /nfs/dbraw/zinc/95/13/13/504951313.db2.gz WMRNSYDRWOOXMZ-UHFFFAOYSA-N 1 2 370.497 3.250 20 30 FGEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000562826044 504957334 /nfs/dbraw/zinc/95/73/34/504957334.db2.gz GVMCGIAAMWAKGX-UHFFFAOYSA-N 1 2 373.457 3.461 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1F ZINC000556958626 505030745 /nfs/dbraw/zinc/03/07/45/505030745.db2.gz PMSLMMVNKCZAQY-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1noc(Cc2ccccc2)n1 ZINC000560260328 505032581 /nfs/dbraw/zinc/03/25/81/505032581.db2.gz RFWVWFXXKXBNAX-AWEZNQCLSA-N 1 2 358.405 3.031 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2scc(Br)c2c1 ZINC000566309293 505141645 /nfs/dbraw/zinc/14/16/45/505141645.db2.gz NILXVUXHGHQYFY-HNNXBMFYSA-N 1 2 366.284 3.237 20 30 FGEDLO CC(C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccn21 ZINC000566338273 505148012 /nfs/dbraw/zinc/14/80/12/505148012.db2.gz OGNFFWKNUYPTFH-QGZVFWFLSA-N 1 2 361.449 3.378 20 30 FGEDLO CC(C)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccn21 ZINC000566338273 505148018 /nfs/dbraw/zinc/14/80/18/505148018.db2.gz OGNFFWKNUYPTFH-QGZVFWFLSA-N 1 2 361.449 3.378 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cn4ccccc4[nH+]3)c2c1 ZINC000561105302 505251464 /nfs/dbraw/zinc/25/14/64/505251464.db2.gz ATILSXGDWBXEMY-UHFFFAOYSA-N 1 2 359.389 3.383 20 30 FGEDLO Cc1cc(Cl)c2ncc(C#N)c(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000554933470 505302931 /nfs/dbraw/zinc/30/29/31/505302931.db2.gz GYKMLESMFXJYPS-UHFFFAOYSA-N 1 2 356.857 3.345 20 30 FGEDLO Cc1nc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)ccc1C#N ZINC000554955310 505310048 /nfs/dbraw/zinc/31/00/48/505310048.db2.gz VEZIQVCZIXYANA-UHFFFAOYSA-N 1 2 351.797 3.031 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555074084 505341516 /nfs/dbraw/zinc/34/15/16/505341516.db2.gz LRCDOIJTMGKZQP-OLZOCXBDSA-N 1 2 369.437 3.333 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555074084 505341520 /nfs/dbraw/zinc/34/15/20/505341520.db2.gz LRCDOIJTMGKZQP-OLZOCXBDSA-N 1 2 369.437 3.333 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000552185727 505423296 /nfs/dbraw/zinc/42/32/96/505423296.db2.gz TXMQIKGILJTJFD-QGZVFWFLSA-N 1 2 362.458 3.263 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000562050870 505503445 /nfs/dbraw/zinc/50/34/45/505503445.db2.gz ZSLDNLQSQGWWSA-UHFFFAOYSA-N 1 2 360.373 3.079 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccn3CCC(C)C)CC2)c1C#N ZINC000562206470 505540167 /nfs/dbraw/zinc/54/01/67/505540167.db2.gz YOSUFBPEXFNNMU-UHFFFAOYSA-N 1 2 357.527 3.493 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000593097274 506391146 /nfs/dbraw/zinc/39/11/46/506391146.db2.gz XHYHHNABYBTKFI-CQSZACIVSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000593097274 506391153 /nfs/dbraw/zinc/39/11/53/506391153.db2.gz XHYHHNABYBTKFI-CQSZACIVSA-N 1 2 363.483 3.145 20 30 FGEDLO N#Cc1ccccc1OCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000582754902 506399109 /nfs/dbraw/zinc/39/91/09/506399109.db2.gz CGUWLMXRMVKTJB-UHFFFAOYSA-N 1 2 366.808 3.093 20 30 FGEDLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155539 506428727 /nfs/dbraw/zinc/42/87/27/506428727.db2.gz ZXXWHJZTPJLATM-BMIGLBTASA-N 1 2 360.310 3.434 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000593154886 506428925 /nfs/dbraw/zinc/42/89/25/506428925.db2.gz PIGBFEIMBYYNFC-KRWDZBQOSA-N 1 2 364.421 3.321 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000599399758 506443182 /nfs/dbraw/zinc/44/31/82/506443182.db2.gz YQXCTTHQAOQJQG-SMDDNHRTSA-N 1 2 363.248 3.442 20 30 FGEDLO Cc1cc(N(C)Cc2cscn2)c(C#N)c(N(C)Cc2cscn2)[nH+]1 ZINC000589110466 506444976 /nfs/dbraw/zinc/44/49/76/506444976.db2.gz NLFUJUZGXSJYSD-UHFFFAOYSA-N 1 2 370.507 3.448 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)CC2 ZINC000599421959 506449437 /nfs/dbraw/zinc/44/94/37/506449437.db2.gz KHJCSFIIAZDXQG-HIFRSBDPSA-N 1 2 362.355 3.154 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187732 506474813 /nfs/dbraw/zinc/47/48/13/506474813.db2.gz OIEPENYWODKGDG-UHFFFAOYSA-N 1 2 374.393 3.030 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187732 506474816 /nfs/dbraw/zinc/47/48/16/506474816.db2.gz OIEPENYWODKGDG-UHFFFAOYSA-N 1 2 374.393 3.030 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515996 506483284 /nfs/dbraw/zinc/48/32/84/506483284.db2.gz JYEUEMNJEYKZJD-VQIMIIECSA-N 1 2 355.388 3.242 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515996 506483289 /nfs/dbraw/zinc/48/32/89/506483289.db2.gz JYEUEMNJEYKZJD-VQIMIIECSA-N 1 2 355.388 3.242 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000596675873 506525857 /nfs/dbraw/zinc/52/58/57/506525857.db2.gz OZKTZDXVNMJGIQ-SFHVURJKSA-N 1 2 351.454 3.254 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596691128 506539935 /nfs/dbraw/zinc/53/99/35/506539935.db2.gz ISDLAMLEYWHSQC-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599634164 506541555 /nfs/dbraw/zinc/54/15/55/506541555.db2.gz GMRQBNDDDGWTON-QGZVFWFLSA-N 1 2 359.351 3.162 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599634164 506541560 /nfs/dbraw/zinc/54/15/60/506541560.db2.gz GMRQBNDDDGWTON-QGZVFWFLSA-N 1 2 359.351 3.162 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000612357887 506543117 /nfs/dbraw/zinc/54/31/17/506543117.db2.gz TYLGAPFIZKTHDJ-APWZRJJASA-N 1 2 371.872 3.498 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635780 506544040 /nfs/dbraw/zinc/54/40/40/506544040.db2.gz VVRCDPHOTXEKQH-KRWDZBQOSA-N 1 2 353.388 3.118 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635780 506544044 /nfs/dbraw/zinc/54/40/44/506544044.db2.gz VVRCDPHOTXEKQH-KRWDZBQOSA-N 1 2 353.388 3.118 20 30 FGEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000589499561 506570869 /nfs/dbraw/zinc/57/08/69/506570869.db2.gz UMPSSZNIGOXZPM-UHFFFAOYSA-N 1 2 362.355 3.351 20 30 FGEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000589499561 506570874 /nfs/dbraw/zinc/57/08/74/506570874.db2.gz UMPSSZNIGOXZPM-UHFFFAOYSA-N 1 2 362.355 3.351 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000599679451 506574141 /nfs/dbraw/zinc/57/41/41/506574141.db2.gz SLTMQXWDVVVTTE-UHFFFAOYSA-N 1 2 359.473 3.306 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000599679451 506574146 /nfs/dbraw/zinc/57/41/46/506574146.db2.gz SLTMQXWDVVVTTE-UHFFFAOYSA-N 1 2 359.473 3.306 20 30 FGEDLO COc1cc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(F)cc1C#N ZINC000599818978 506655238 /nfs/dbraw/zinc/65/52/38/506655238.db2.gz CTDBIFXKCZHYND-UHFFFAOYSA-N 1 2 369.400 3.023 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000583218521 506655855 /nfs/dbraw/zinc/65/58/55/506655855.db2.gz BWQADJTVKBBKDV-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000583218521 506655858 /nfs/dbraw/zinc/65/58/58/506655858.db2.gz BWQADJTVKBBKDV-LBPRGKRZSA-N 1 2 355.467 3.202 20 30 FGEDLO COc1ccc([C@H](Nc2ncc3c(c2C#N)CCC3)c2[nH+]ccn2C)cc1 ZINC000583259284 506681334 /nfs/dbraw/zinc/68/13/34/506681334.db2.gz GTSBXQYUBUXCPR-IBGZPJMESA-N 1 2 359.433 3.386 20 30 FGEDLO Cc1ncsc1-c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000596983656 506712435 /nfs/dbraw/zinc/71/24/35/506712435.db2.gz HGLNIDXGJZAGJG-UHFFFAOYSA-N 1 2 370.522 3.166 20 30 FGEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)C4CCCCC4)CC3)cc2)CC1 ZINC000596995397 506722092 /nfs/dbraw/zinc/72/20/92/506722092.db2.gz IAZUOHZJCLRCDX-UHFFFAOYSA-N 1 2 351.494 3.466 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c(C)c1C ZINC000609131028 506786367 /nfs/dbraw/zinc/78/63/67/506786367.db2.gz GPLGYROBQHGQJU-INIZCTEOSA-N 1 2 369.494 3.031 20 30 FGEDLO N#CCCCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000609147069 506792993 /nfs/dbraw/zinc/79/29/93/506792993.db2.gz ZGMOTDWYPVXWDM-UHFFFAOYSA-N 1 2 368.403 3.226 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000609147510 506793022 /nfs/dbraw/zinc/79/30/22/506793022.db2.gz YWWRSFKEQTWJFH-UHFFFAOYSA-N 1 2 361.405 3.047 20 30 FGEDLO N#CCn1c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc2ccccc21 ZINC000612872729 506793410 /nfs/dbraw/zinc/79/34/10/506793410.db2.gz FKMZXBSESOUEQF-UHFFFAOYSA-N 1 2 354.373 3.453 20 30 FGEDLO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ncc1Br ZINC000600162853 506815103 /nfs/dbraw/zinc/81/51/03/506815103.db2.gz WVAQZMXAQXEVJZ-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ncc1Br ZINC000600162853 506815110 /nfs/dbraw/zinc/81/51/10/506815110.db2.gz WVAQZMXAQXEVJZ-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000604393754 506817527 /nfs/dbraw/zinc/81/75/27/506817527.db2.gz ICICGUMSPJWYLP-UHFFFAOYSA-N 1 2 355.482 3.122 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1OCCCC#N ZINC000597253520 506861705 /nfs/dbraw/zinc/86/17/05/506861705.db2.gz ZSWWDLMCTTUGDG-GOSISDBHSA-N 1 2 354.397 3.234 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1OCCCC#N ZINC000597253520 506861711 /nfs/dbraw/zinc/86/17/11/506861711.db2.gz ZSWWDLMCTTUGDG-GOSISDBHSA-N 1 2 354.397 3.234 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000609485644 506895974 /nfs/dbraw/zinc/89/59/74/506895974.db2.gz UNFDTARLWCUUBH-KRWDZBQOSA-N 1 2 363.889 3.167 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609518218 506907232 /nfs/dbraw/zinc/90/72/32/506907232.db2.gz NKJBQFVVCFEOGA-GOSISDBHSA-N 1 2 352.438 3.168 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000613102702 506915622 /nfs/dbraw/zinc/91/56/22/506915622.db2.gz AVFKVEFRWGPXAO-INIZCTEOSA-N 1 2 356.470 3.280 20 30 FGEDLO C[C@]1(C#N)CCCN(Cc2cncc(C[N@@H+]3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715423 506921976 /nfs/dbraw/zinc/92/19/76/506921976.db2.gz BIEQZOJHBFWGTR-NHCUHLMSSA-N 1 2 351.498 3.333 20 30 FGEDLO C[C@]1(C#N)CCCN(Cc2cncc(C[N@H+]3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715423 506921981 /nfs/dbraw/zinc/92/19/81/506921981.db2.gz BIEQZOJHBFWGTR-NHCUHLMSSA-N 1 2 351.498 3.333 20 30 FGEDLO CC[C@@H](C#N)N(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000594086486 506932322 /nfs/dbraw/zinc/93/23/22/506932322.db2.gz VWKQBFLYWANWHL-HOTGVXAUSA-N 1 2 364.287 3.347 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098116 506937517 /nfs/dbraw/zinc/93/75/17/506937517.db2.gz DNIGBGBAFULANE-MELADBBJSA-N 1 2 371.506 3.309 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098116 506937523 /nfs/dbraw/zinc/93/75/23/506937523.db2.gz DNIGBGBAFULANE-MELADBBJSA-N 1 2 371.506 3.309 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)C(C)C ZINC000604802025 506949432 /nfs/dbraw/zinc/94/94/32/506949432.db2.gz ZCXXDOMEKIJOBZ-CQSZACIVSA-N 1 2 365.547 3.078 20 30 FGEDLO N#Cc1ccc(C2(NC(=O)NCCc3cn4c([nH+]3)CCCC4)CCC2)cc1 ZINC000594215390 507015079 /nfs/dbraw/zinc/01/50/79/507015079.db2.gz KCPSAQXVQXVYDL-UHFFFAOYSA-N 1 2 363.465 3.012 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594232570 507029458 /nfs/dbraw/zinc/02/94/58/507029458.db2.gz RTMMSBZAFMHCFO-UHFFFAOYSA-N 1 2 351.454 3.289 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026572 507076929 /nfs/dbraw/zinc/07/69/29/507076929.db2.gz NORHXKJYWZTEST-UHFFFAOYSA-N 1 2 351.366 3.463 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000594356250 507091179 /nfs/dbraw/zinc/09/11/79/507091179.db2.gz STFAHQVHMAFGIM-LBPRGKRZSA-N 1 2 370.762 3.298 20 30 FGEDLO N#CC1(C[C@@H](O)CNc2cccc(Oc3cc[nH+]cc3)c2)CCOCC1 ZINC000600740963 507094153 /nfs/dbraw/zinc/09/41/53/507094153.db2.gz ALXYRBKLARMBMI-QGZVFWFLSA-N 1 2 353.422 3.357 20 30 FGEDLO Cc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000610129508 507109719 /nfs/dbraw/zinc/10/97/19/507109719.db2.gz BMUKKUSBDFSOOT-NRFANRHFSA-N 1 2 373.460 3.295 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)Nc3cc(C#N)cn3C(C)(C)C)[nH+]c12 ZINC000610475783 507254486 /nfs/dbraw/zinc/25/44/86/507254486.db2.gz BJXIWIDXFZGZMH-UHFFFAOYSA-N 1 2 364.453 3.435 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1O ZINC000584323477 507279458 /nfs/dbraw/zinc/27/94/58/507279458.db2.gz QWUAMJSQJFNUSL-UHFFFAOYSA-N 1 2 370.405 3.432 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1O ZINC000584323477 507279465 /nfs/dbraw/zinc/27/94/65/507279465.db2.gz QWUAMJSQJFNUSL-UHFFFAOYSA-N 1 2 370.405 3.432 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601240049 507307372 /nfs/dbraw/zinc/30/73/72/507307372.db2.gz DXJOXQNYAJSYQH-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000598264534 507349392 /nfs/dbraw/zinc/34/93/92/507349392.db2.gz YAGIYTYSHDOUFM-UHFFFAOYSA-N 1 2 364.405 3.321 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000601390921 507354078 /nfs/dbraw/zinc/35/40/78/507354078.db2.gz YLBNPVMVBWBWBW-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000601390921 507354084 /nfs/dbraw/zinc/35/40/84/507354084.db2.gz YLBNPVMVBWBWBW-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO C[NH+]1CCN(CCCCNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000591896448 507399786 /nfs/dbraw/zinc/39/97/86/507399786.db2.gz LJRSUOYIPYXSDE-UHFFFAOYSA-N 1 2 357.889 3.199 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)CCCC1 ZINC000601645590 507412966 /nfs/dbraw/zinc/41/29/66/507412966.db2.gz PPDDKGOULQLOGJ-UHFFFAOYSA-N 1 2 374.550 3.004 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000611029371 507486906 /nfs/dbraw/zinc/48/69/06/507486906.db2.gz DBRAXVLINCNFMH-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000611029371 507486915 /nfs/dbraw/zinc/48/69/15/507486915.db2.gz DBRAXVLINCNFMH-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000592121880 507491055 /nfs/dbraw/zinc/49/10/55/507491055.db2.gz JQMGSFWYAZSPGG-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000592121880 507491060 /nfs/dbraw/zinc/49/10/60/507491060.db2.gz JQMGSFWYAZSPGG-OAQYLSRUSA-N 1 2 362.477 3.057 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000598590510 507508932 /nfs/dbraw/zinc/50/89/32/507508932.db2.gz NFTLRCMHRHHPOU-HZPDHXFCSA-N 1 2 367.287 3.123 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000598590510 507508936 /nfs/dbraw/zinc/50/89/36/507508936.db2.gz NFTLRCMHRHHPOU-HZPDHXFCSA-N 1 2 367.287 3.123 20 30 FGEDLO N#Cc1cc(Cl)c(C(=O)NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000611093038 507514877 /nfs/dbraw/zinc/51/48/77/507514877.db2.gz SCEOWYUQLHFYFO-UHFFFAOYSA-N 1 2 359.216 3.485 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn4cccc(F)c4n3)CC2)cc1 ZINC000611268846 507595086 /nfs/dbraw/zinc/59/50/86/507595086.db2.gz HNIAGPHXOGPBQQ-UHFFFAOYSA-N 1 2 350.397 3.388 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000595619966 507595837 /nfs/dbraw/zinc/59/58/37/507595837.db2.gz IDRZYKNVEYLSKF-HNNXBMFYSA-N 1 2 372.469 3.437 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000595619966 507595842 /nfs/dbraw/zinc/59/58/42/507595842.db2.gz IDRZYKNVEYLSKF-HNNXBMFYSA-N 1 2 372.469 3.437 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602166025 507611598 /nfs/dbraw/zinc/61/15/98/507611598.db2.gz JAJHFQBRCHWLMW-DOMZBBRYSA-N 1 2 350.344 3.468 20 30 FGEDLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000595688961 507628509 /nfs/dbraw/zinc/62/85/09/507628509.db2.gz LVYZEAVQMDUIQP-BGYRXZFFSA-N 1 2 373.522 3.186 20 30 FGEDLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000595688961 507628517 /nfs/dbraw/zinc/62/85/17/507628517.db2.gz LVYZEAVQMDUIQP-BGYRXZFFSA-N 1 2 373.522 3.186 20 30 FGEDLO C=CCn1c(Sc2cc(-n3cc[nH+]c3)ncn2)nnc1-c1ccoc1C ZINC000607142825 507629833 /nfs/dbraw/zinc/62/98/33/507629833.db2.gz YCVNMYBPLCZBSL-UHFFFAOYSA-N 1 2 365.422 3.159 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000602333697 507673558 /nfs/dbraw/zinc/67/35/58/507673558.db2.gz OLUIVCCMRKNJJU-MRXNPFEDSA-N 1 2 367.236 3.222 20 30 FGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595800350 507694297 /nfs/dbraw/zinc/69/42/97/507694297.db2.gz SHGMQCOJORHLHA-OAHLLOKOSA-N 1 2 354.414 3.025 20 30 FGEDLO N#CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000602401250 507696266 /nfs/dbraw/zinc/69/62/66/507696266.db2.gz MAXQGCAJSCBQNR-UHFFFAOYSA-N 1 2 367.478 3.023 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c2)c1 ZINC000587056224 507705741 /nfs/dbraw/zinc/70/57/41/507705741.db2.gz FJONBQCJWHCPFF-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000602450109 507714407 /nfs/dbraw/zinc/71/44/07/507714407.db2.gz TWSMLYFNIYKWFO-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000602450109 507714415 /nfs/dbraw/zinc/71/44/15/507714415.db2.gz TWSMLYFNIYKWFO-KRWDZBQOSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595880198 507725305 /nfs/dbraw/zinc/72/53/05/507725305.db2.gz ZBXGZSMWDPXFOL-UHFFFAOYSA-N 1 2 365.458 3.499 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)c(C(F)(F)F)c1 ZINC000595902403 507733834 /nfs/dbraw/zinc/73/38/34/507733834.db2.gz JCLAUESZKSVXJQ-UHFFFAOYSA-N 1 2 359.351 3.234 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c(C(F)(F)F)c1 ZINC000595902403 507733838 /nfs/dbraw/zinc/73/38/38/507733838.db2.gz JCLAUESZKSVXJQ-UHFFFAOYSA-N 1 2 359.351 3.234 20 30 FGEDLO Cc1ccc2[nH+]c(CN3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cn2c1 ZINC000611551369 507733932 /nfs/dbraw/zinc/73/39/32/507733932.db2.gz LBOFIHOHUYDJIT-FQEVSTJZSA-N 1 2 363.440 3.164 20 30 FGEDLO CC(C)C[C@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000611565361 507742680 /nfs/dbraw/zinc/74/26/80/507742680.db2.gz RIKHJFABDRZBRD-QGZVFWFLSA-N 1 2 366.465 3.211 20 30 FGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824385581 608679823 /nfs/dbraw/zinc/67/98/23/608679823.db2.gz XALXPBURFVCFMD-OAHLLOKOSA-N 1 2 362.437 3.180 20 30 FGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824385581 608679825 /nfs/dbraw/zinc/67/98/25/608679825.db2.gz XALXPBURFVCFMD-OAHLLOKOSA-N 1 2 362.437 3.180 20 30 FGEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000071939157 695958720 /nfs/dbraw/zinc/95/87/20/695958720.db2.gz ZNTGRWORSZZCAR-UHFFFAOYSA-N 1 2 351.328 3.175 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F ZINC000106067271 700506345 /nfs/dbraw/zinc/50/63/45/700506345.db2.gz QTANURRUWQHXCX-SNVBAGLBSA-N 1 2 367.783 3.477 20 30 FGEDLO [O-]C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329905561 713833440 /nfs/dbraw/zinc/83/34/40/713833440.db2.gz RPMMSEDLQZDXJL-IHRRRGAJSA-N 1 2 358.408 3.318 20 30 FGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000329905561 713833443 /nfs/dbraw/zinc/83/34/43/713833443.db2.gz RPMMSEDLQZDXJL-IHRRRGAJSA-N 1 2 358.408 3.318 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000373815142 713873603 /nfs/dbraw/zinc/87/36/03/713873603.db2.gz OJNWGGXAYHFEHE-RDJZCZTQSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCOC2)O1 ZINC000373815142 713873617 /nfs/dbraw/zinc/87/36/17/713873617.db2.gz OJNWGGXAYHFEHE-RDJZCZTQSA-N 1 2 365.271 3.091 20 30 FGEDLO Cc1sc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000525430473 714353042 /nfs/dbraw/zinc/35/30/42/714353042.db2.gz GRAYPGGEJLRPCR-KRWDZBQOSA-N 1 2 355.463 3.076 20 30 FGEDLO Cc1sc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000525430473 714353049 /nfs/dbraw/zinc/35/30/49/714353049.db2.gz GRAYPGGEJLRPCR-KRWDZBQOSA-N 1 2 355.463 3.076 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC23CCOCC3)sc2c1CCCCC2 ZINC000618318177 714734092 /nfs/dbraw/zinc/73/40/92/714734092.db2.gz HCISSMQVACIZGD-UHFFFAOYSA-N 1 2 359.495 3.082 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC23CCOCC3)sc2c1CCCCC2 ZINC000618318177 714734095 /nfs/dbraw/zinc/73/40/95/714734095.db2.gz HCISSMQVACIZGD-UHFFFAOYSA-N 1 2 359.495 3.082 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000621956437 715041031 /nfs/dbraw/zinc/04/10/31/715041031.db2.gz KZKHFDGSQGZMBO-QGZVFWFLSA-N 1 2 361.917 3.047 20 30 FGEDLO C#CCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000780016792 724441295 /nfs/dbraw/zinc/44/12/95/724441295.db2.gz RQMVUIICUCQDOJ-QUCCMNQESA-N 1 2 362.901 3.412 20 30 FGEDLO C#CCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000780016792 724441296 /nfs/dbraw/zinc/44/12/96/724441296.db2.gz RQMVUIICUCQDOJ-QUCCMNQESA-N 1 2 362.901 3.412 20 30 FGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780353803 724458765 /nfs/dbraw/zinc/45/87/65/724458765.db2.gz HPOLMSMTHGSHKW-CYBMUJFWSA-N 1 2 362.401 3.343 20 30 FGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000780353803 724458767 /nfs/dbraw/zinc/45/87/67/724458767.db2.gz HPOLMSMTHGSHKW-CYBMUJFWSA-N 1 2 362.401 3.343 20 30 FGEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710562 718554900 /nfs/dbraw/zinc/55/49/00/718554900.db2.gz FOGVOXBLHCQQIE-UHFFFAOYSA-N 1 2 364.305 3.152 20 30 FGEDLO C=CCCn1cc(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)nn1 ZINC000653487052 719046932 /nfs/dbraw/zinc/04/69/32/719046932.db2.gz DHLIGXBFUCYFHM-INIZCTEOSA-N 1 2 359.905 3.386 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)nn1 ZINC000653673189 719074110 /nfs/dbraw/zinc/07/41/10/719074110.db2.gz MNLRDJNAJRZRBX-INIZCTEOSA-N 1 2 355.269 3.374 20 30 FGEDLO COCC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000656266093 719386269 /nfs/dbraw/zinc/38/62/69/719386269.db2.gz CHJBIVHIWLLAIC-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000656266093 719386270 /nfs/dbraw/zinc/38/62/70/719386270.db2.gz CHJBIVHIWLLAIC-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO S=C(NCCc1cccs1)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783821641 724793426 /nfs/dbraw/zinc/79/34/26/724793426.db2.gz MKIYISGWETUHQV-UHFFFAOYSA-N 1 2 361.521 3.036 20 30 FGEDLO NC(=NOCc1ccccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792673 722422681 /nfs/dbraw/zinc/42/26/81/722422681.db2.gz NWXAWPBTWUZGLP-UHFFFAOYSA-N 1 2 359.857 3.009 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000735364324 722515930 /nfs/dbraw/zinc/51/59/30/722515930.db2.gz MOPABBWHBGROBH-UHFFFAOYSA-N 1 2 361.795 3.312 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000735364324 722515931 /nfs/dbraw/zinc/51/59/31/722515931.db2.gz MOPABBWHBGROBH-UHFFFAOYSA-N 1 2 361.795 3.312 20 30 FGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)nc1C ZINC000755021827 722949416 /nfs/dbraw/zinc/94/94/16/722949416.db2.gz INDZFJQXRXPBEI-ZDUSSCGKSA-N 1 2 359.451 3.381 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755228266 722951469 /nfs/dbraw/zinc/95/14/69/722951469.db2.gz UZLGNTFFRRYKHJ-ICSRJNTNSA-N 1 2 356.828 3.392 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755228266 722951470 /nfs/dbraw/zinc/95/14/70/722951470.db2.gz UZLGNTFFRRYKHJ-ICSRJNTNSA-N 1 2 356.828 3.392 20 30 FGEDLO FC(F)CO[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000758904138 722996554 /nfs/dbraw/zinc/99/65/54/722996554.db2.gz NAVOEWWFCWIEJK-UHFFFAOYSA-N 1 2 353.394 3.262 20 30 FGEDLO COc1cccc([C@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)c1 ZINC000759777882 723020568 /nfs/dbraw/zinc/02/05/68/723020568.db2.gz PLYOWOOCAKKFQM-IBGZPJMESA-N 1 2 357.841 3.057 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000765316818 723505418 /nfs/dbraw/zinc/50/54/18/723505418.db2.gz WLSRDUJVPHUPEB-INIZCTEOSA-N 1 2 353.491 3.262 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611629 723583508 /nfs/dbraw/zinc/58/35/08/723583508.db2.gz NNANMWKHSZQRFS-UHFFFAOYSA-N 1 2 372.266 3.061 20 30 FGEDLO C[N@H+](Cc1ccc(Br)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611629 723583510 /nfs/dbraw/zinc/58/35/10/723583510.db2.gz NNANMWKHSZQRFS-UHFFFAOYSA-N 1 2 372.266 3.061 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(F)(F)CC2)cc1 ZINC000796542605 723642601 /nfs/dbraw/zinc/64/26/01/723642601.db2.gz ZFSNOOUIDAQUNF-UHFFFAOYSA-N 1 2 351.397 3.063 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000769424220 723685317 /nfs/dbraw/zinc/68/53/17/723685317.db2.gz YVLXIZITJLMHGD-UHFFFAOYSA-N 1 2 358.379 3.107 20 30 FGEDLO N#CCC1CC[NH+](Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773322853 723782552 /nfs/dbraw/zinc/78/25/52/723782552.db2.gz RNYLBAKUKPNAEG-UHFFFAOYSA-N 1 2 368.206 3.079 20 30 FGEDLO C[C@@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000776261911 724125368 /nfs/dbraw/zinc/12/53/68/724125368.db2.gz SZFRNZQMZYZEMN-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000776261911 724125370 /nfs/dbraw/zinc/12/53/70/724125370.db2.gz SZFRNZQMZYZEMN-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C=C[C@@](C)(CCOC)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805925384 725104157 /nfs/dbraw/zinc/10/41/57/725104157.db2.gz LVGBYVNABUUHTO-IBGZPJMESA-N 1 2 366.527 3.436 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529377 725312824 /nfs/dbraw/zinc/31/28/24/725312824.db2.gz FGYOAVYFKBWUOJ-XIKOKIGWSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529377 725312825 /nfs/dbraw/zinc/31/28/25/725312825.db2.gz FGYOAVYFKBWUOJ-XIKOKIGWSA-N 1 2 365.836 3.200 20 30 FGEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811459516 725366493 /nfs/dbraw/zinc/36/64/93/725366493.db2.gz GQKUCJYNTOFLMN-UHFFFAOYSA-N 1 2 355.360 3.241 20 30 FGEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811459516 725366494 /nfs/dbraw/zinc/36/64/94/725366494.db2.gz GQKUCJYNTOFLMN-UHFFFAOYSA-N 1 2 355.360 3.241 20 30 FGEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811463884 725367323 /nfs/dbraw/zinc/36/73/23/725367323.db2.gz JVKCFIODDILSMJ-STQMWFEESA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811463884 725367324 /nfs/dbraw/zinc/36/73/24/725367324.db2.gz JVKCFIODDILSMJ-STQMWFEESA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@@H]1C(N=Nc2ccccc2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000811642436 725375570 /nfs/dbraw/zinc/37/55/70/725375570.db2.gz QZZLIGHTCQSPSC-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1C(N=Nc2ccccc2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000811642436 725375571 /nfs/dbraw/zinc/37/55/71/725375571.db2.gz QZZLIGHTCQSPSC-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000822224473 729155031 /nfs/dbraw/zinc/15/50/31/729155031.db2.gz LOSUHMDJIIPIOQ-UHFFFAOYSA-N 1 2 354.475 3.108 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798798 729513074 /nfs/dbraw/zinc/51/30/74/729513074.db2.gz FHYSVJNWBQGXNW-UWVGGRQHSA-N 1 2 360.326 3.444 20 30 FGEDLO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798798 729513080 /nfs/dbraw/zinc/51/30/80/729513080.db2.gz FHYSVJNWBQGXNW-UWVGGRQHSA-N 1 2 360.326 3.444 20 30 FGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000852096685 731543672 /nfs/dbraw/zinc/54/36/72/731543672.db2.gz FMWLLFUXWZWLFA-QGZVFWFLSA-N 1 2 351.353 3.238 20 30 FGEDLO N#CCOc1ccc(C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000852727662 731625797 /nfs/dbraw/zinc/62/57/97/731625797.db2.gz PPHPEDKCEUFRCO-UHFFFAOYSA-N 1 2 373.250 3.055 20 30 FGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(NC(=O)OC)CC2)c1=S ZINC000853626147 731733917 /nfs/dbraw/zinc/73/39/17/731733917.db2.gz OUEKIEYFVMJJIR-UHFFFAOYSA-N 1 2 360.483 3.136 20 30 FGEDLO C=C(Cl)CSCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000853783273 731754171 /nfs/dbraw/zinc/75/41/71/731754171.db2.gz JRMHJNVAONLMRC-UHFFFAOYSA-N 1 2 368.934 3.043 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1cnccn1 ZINC000863331718 732946661 /nfs/dbraw/zinc/94/66/61/732946661.db2.gz SPCZMJUJYUTRBR-UHFFFAOYSA-N 1 2 356.499 3.281 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CCCC3(CC3)CC2)nc1-c1cnccn1 ZINC000863331718 732946662 /nfs/dbraw/zinc/94/66/62/732946662.db2.gz SPCZMJUJYUTRBR-UHFFFAOYSA-N 1 2 356.499 3.281 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](COC)c2cccc(Br)c2)nn1 ZINC000865822444 733276512 /nfs/dbraw/zinc/27/65/12/733276512.db2.gz HHBWIXUNYXIYOI-INIZCTEOSA-N 1 2 365.275 3.094 20 30 FGEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000866954905 733415998 /nfs/dbraw/zinc/41/59/98/733415998.db2.gz MHPBJKGKLDGSFN-LBPRGKRZSA-N 1 2 367.837 3.102 20 30 FGEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000868910684 733660290 /nfs/dbraw/zinc/66/02/90/733660290.db2.gz WFIASZHKYKTTAL-OAHLLOKOSA-N 1 2 367.877 3.351 20 30 FGEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872786020 735677005 /nfs/dbraw/zinc/67/70/05/735677005.db2.gz ODUQUDXBMDGJGV-CALCHBBNSA-N 1 2 356.495 3.111 20 30 FGEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872786020 735677009 /nfs/dbraw/zinc/67/70/09/735677009.db2.gz ODUQUDXBMDGJGV-CALCHBBNSA-N 1 2 356.495 3.111 20 30 FGEDLO C=CC[N@@H+](Cc1cc2nc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000876629265 736124050 /nfs/dbraw/zinc/12/40/50/736124050.db2.gz GEPQYNXBAUPKJF-NSHDSACASA-N 1 2 356.900 3.125 20 30 FGEDLO C=CC[N@H+](Cc1cc2nc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000876629265 736124053 /nfs/dbraw/zinc/12/40/53/736124053.db2.gz GEPQYNXBAUPKJF-NSHDSACASA-N 1 2 356.900 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876736161 736137870 /nfs/dbraw/zinc/13/78/70/736137870.db2.gz SDUBFSVXYWSCAS-DOMZBBRYSA-N 1 2 364.877 3.342 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876736161 736137872 /nfs/dbraw/zinc/13/78/72/736137872.db2.gz SDUBFSVXYWSCAS-DOMZBBRYSA-N 1 2 364.877 3.342 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)cn1 ZINC000877645479 736699375 /nfs/dbraw/zinc/69/93/75/736699375.db2.gz MLWHTMCKQDISFL-UHFFFAOYSA-N 1 2 353.813 3.070 20 30 FGEDLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000880008615 737098611 /nfs/dbraw/zinc/09/86/11/737098611.db2.gz UYBDJTHATPXMIB-AWEZNQCLSA-N 1 2 372.519 3.495 20 30 FGEDLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n1 ZINC000880008615 737098621 /nfs/dbraw/zinc/09/86/21/737098621.db2.gz UYBDJTHATPXMIB-AWEZNQCLSA-N 1 2 372.519 3.495 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052968 737109593 /nfs/dbraw/zinc/10/95/93/737109593.db2.gz ZOTFRLWLKQNEOU-IAGOWNOFSA-N 1 2 354.372 3.080 20 30 FGEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000880052968 737109595 /nfs/dbraw/zinc/10/95/95/737109595.db2.gz ZOTFRLWLKQNEOU-IAGOWNOFSA-N 1 2 354.372 3.080 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)CCC1 ZINC000886181856 739227144 /nfs/dbraw/zinc/22/71/44/739227144.db2.gz VIGNRWHICBNUKD-CQSZACIVSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)CCC1 ZINC000886181856 739227150 /nfs/dbraw/zinc/22/71/50/739227150.db2.gz VIGNRWHICBNUKD-CQSZACIVSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCSCC1 ZINC000904105584 743928995 /nfs/dbraw/zinc/92/89/95/743928995.db2.gz BCRRGKISKBOEIV-UHFFFAOYSA-N 1 2 351.435 3.134 20 30 FGEDLO C=CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000904735593 743973484 /nfs/dbraw/zinc/97/34/84/743973484.db2.gz WYFFDQNZBOAKCW-AWEZNQCLSA-N 1 2 369.874 3.194 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1F ZINC000920401212 758548747 /nfs/dbraw/zinc/54/87/47/758548747.db2.gz CQFOQZXCQIUIRG-LBPRGKRZSA-N 1 2 363.820 3.302 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000922529071 758943526 /nfs/dbraw/zinc/94/35/26/758943526.db2.gz KWUPXOLAWMSKCG-HUUCEWRRSA-N 1 2 366.412 3.167 20 30 FGEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932360835 761146781 /nfs/dbraw/zinc/14/67/81/761146781.db2.gz HBOLTWBQQAQWNO-ZBEGNZNMSA-N 1 2 355.829 3.070 20 30 FGEDLO N#CCc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000933321813 761363587 /nfs/dbraw/zinc/36/35/87/761363587.db2.gz MXIJKYWCJLFYBX-UHFFFAOYSA-N 1 2 357.255 3.474 20 30 FGEDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)cccc1[N+](=O)[O-] ZINC000933776386 761472402 /nfs/dbraw/zinc/47/24/02/761472402.db2.gz CPKSJJGBQCUVLJ-GFCCVEGCSA-N 1 2 358.423 3.295 20 30 FGEDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cccc1[N+](=O)[O-] ZINC000933776386 761472406 /nfs/dbraw/zinc/47/24/06/761472406.db2.gz CPKSJJGBQCUVLJ-GFCCVEGCSA-N 1 2 358.423 3.295 20 30 FGEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779413 761473299 /nfs/dbraw/zinc/47/32/99/761473299.db2.gz ZFBNISOKSXSADD-UHFFFAOYSA-N 1 2 353.900 3.425 20 30 FGEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779413 761473303 /nfs/dbraw/zinc/47/33/03/761473303.db2.gz ZFBNISOKSXSADD-UHFFFAOYSA-N 1 2 353.900 3.425 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000970902750 762881454 /nfs/dbraw/zinc/88/14/54/762881454.db2.gz YBFJLNXSPXVSMG-BYCMXARLSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000970902751 762881993 /nfs/dbraw/zinc/88/19/93/762881993.db2.gz YBFJLNXSPXVSMG-TUKIKUTGSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001014468562 765783403 /nfs/dbraw/zinc/78/34/03/765783403.db2.gz JIOZQWDVTQIUBA-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001014468562 765783406 /nfs/dbraw/zinc/78/34/06/765783406.db2.gz JIOZQWDVTQIUBA-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001014472542 765783459 /nfs/dbraw/zinc/78/34/59/765783459.db2.gz XKEIMSSTRSKQLK-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001014472542 765783462 /nfs/dbraw/zinc/78/34/62/765783462.db2.gz XKEIMSSTRSKQLK-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001023376158 766034995 /nfs/dbraw/zinc/03/49/95/766034995.db2.gz XJGUSXZPXZNWEM-BQKNILCGSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001023376158 766035011 /nfs/dbraw/zinc/03/50/11/766035011.db2.gz XJGUSXZPXZNWEM-BQKNILCGSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001028044141 766111228 /nfs/dbraw/zinc/11/12/28/766111228.db2.gz FRRNBOSPYXHHJV-CEXWTWQISA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001028044141 766111232 /nfs/dbraw/zinc/11/12/32/766111232.db2.gz FRRNBOSPYXHHJV-CEXWTWQISA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001032047337 766194574 /nfs/dbraw/zinc/19/45/74/766194574.db2.gz WPQNYOFOCRMELJ-YJBOKZPZSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C/C=C/Cl)C2 ZINC001054285426 767004403 /nfs/dbraw/zinc/00/44/03/767004403.db2.gz IIDKTBTVKFTJJL-BZOXKJPBSA-N 1 2 360.885 3.352 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C/C=C/Cl)C2 ZINC001054285426 767004412 /nfs/dbraw/zinc/00/44/12/767004412.db2.gz IIDKTBTVKFTJJL-BZOXKJPBSA-N 1 2 360.885 3.352 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214669 210168839 /nfs/dbraw/zinc/16/88/39/210168839.db2.gz JQPNXLBHTHRFFN-LBPRGKRZSA-N 1 2 368.275 3.205 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214669 210168844 /nfs/dbraw/zinc/16/88/44/210168844.db2.gz JQPNXLBHTHRFFN-LBPRGKRZSA-N 1 2 368.275 3.205 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cn21 ZINC000286377073 257376782 /nfs/dbraw/zinc/37/67/82/257376782.db2.gz GNTVSWWMAOIWPM-UHFFFAOYSA-N 1 2 350.397 3.248 20 30 FGEDLO N#Cc1ccc(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000576857005 505610445 /nfs/dbraw/zinc/61/04/45/505610445.db2.gz QSYKAHJJZIZQNA-UHFFFAOYSA-N 1 2 363.442 3.490 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000573961894 505661041 /nfs/dbraw/zinc/66/10/41/505661041.db2.gz VNSSDFQDIBZUGW-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO N#Cc1c(F)cc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000573987580 505666958 /nfs/dbraw/zinc/66/69/58/505666958.db2.gz TUGXYXNEGQRFJE-UHFFFAOYSA-N 1 2 352.344 3.011 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571162799 505668707 /nfs/dbraw/zinc/66/87/07/505668707.db2.gz MGSUZDWNXFMHST-DOTOQJQBSA-N 1 2 373.819 3.313 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571162799 505668710 /nfs/dbraw/zinc/66/87/10/505668710.db2.gz MGSUZDWNXFMHST-DOTOQJQBSA-N 1 2 373.819 3.313 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068390086 493809844 /nfs/dbraw/zinc/80/98/44/493809844.db2.gz UYROIBANTYOSGR-UHFFFAOYSA-N 1 2 356.491 3.409 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccn2)c1 ZINC000081012241 493812765 /nfs/dbraw/zinc/81/27/65/493812765.db2.gz JKOBTWVBEWMXFN-QFIPXVFZSA-N 1 2 362.477 3.201 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccn2)c1 ZINC000081012241 493812769 /nfs/dbraw/zinc/81/27/69/493812769.db2.gz JKOBTWVBEWMXFN-QFIPXVFZSA-N 1 2 362.477 3.201 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076094823 493821003 /nfs/dbraw/zinc/82/10/03/493821003.db2.gz ZJMOUDCSIZPZEB-UHFFFAOYSA-N 1 2 352.360 3.343 20 30 FGEDLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1 ZINC000568399348 505685428 /nfs/dbraw/zinc/68/54/28/505685428.db2.gz KIVAFPVWAWVRKZ-NRFANRHFSA-N 1 2 350.466 3.303 20 30 FGEDLO COc1c(C)cc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000081513056 493907299 /nfs/dbraw/zinc/90/72/99/493907299.db2.gz LPCIWAKNBOXPOG-UHFFFAOYSA-N 1 2 372.490 3.089 20 30 FGEDLO COc1c(C)cc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000081513056 493907303 /nfs/dbraw/zinc/90/73/03/493907303.db2.gz LPCIWAKNBOXPOG-UHFFFAOYSA-N 1 2 372.490 3.089 20 30 FGEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000081515089 493907754 /nfs/dbraw/zinc/90/77/54/493907754.db2.gz XREFRQLNEMQAJF-MRXNPFEDSA-N 1 2 353.466 3.431 20 30 FGEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000081515089 493907756 /nfs/dbraw/zinc/90/77/56/493907756.db2.gz XREFRQLNEMQAJF-MRXNPFEDSA-N 1 2 353.466 3.431 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000083170695 494002420 /nfs/dbraw/zinc/00/24/20/494002420.db2.gz YVTKDVYTJLIDLS-FQEVSTJZSA-N 1 2 350.418 3.229 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000083170695 494002424 /nfs/dbraw/zinc/00/24/24/494002424.db2.gz YVTKDVYTJLIDLS-FQEVSTJZSA-N 1 2 350.418 3.229 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300374 494042449 /nfs/dbraw/zinc/04/24/49/494042449.db2.gz FASRHKLCTYSYJC-UHFFFAOYSA-N 1 2 364.405 3.117 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300374 494042453 /nfs/dbraw/zinc/04/24/53/494042453.db2.gz FASRHKLCTYSYJC-UHFFFAOYSA-N 1 2 364.405 3.117 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000052659388 494050973 /nfs/dbraw/zinc/05/09/73/494050973.db2.gz AGMXISISHIAPLG-UHFFFAOYSA-N 1 2 374.510 3.145 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000052659388 494050976 /nfs/dbraw/zinc/05/09/76/494050976.db2.gz AGMXISISHIAPLG-UHFFFAOYSA-N 1 2 374.510 3.145 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000070870117 494062793 /nfs/dbraw/zinc/06/27/93/494062793.db2.gz HBAUEWCXYZUBIC-UGSOOPFHSA-N 1 2 351.878 3.223 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000070870117 494062797 /nfs/dbraw/zinc/06/27/97/494062797.db2.gz HBAUEWCXYZUBIC-UGSOOPFHSA-N 1 2 351.878 3.223 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000052919734 494076313 /nfs/dbraw/zinc/07/63/13/494076313.db2.gz SPLCSVGGPGJKIB-INIZCTEOSA-N 1 2 367.478 3.089 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000052919734 494076319 /nfs/dbraw/zinc/07/63/19/494076319.db2.gz SPLCSVGGPGJKIB-INIZCTEOSA-N 1 2 367.478 3.089 20 30 FGEDLO COCCN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753855 494083892 /nfs/dbraw/zinc/08/38/92/494083892.db2.gz VVYYQAYVKXWZOY-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO COCC[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753855 494083895 /nfs/dbraw/zinc/08/38/95/494083895.db2.gz VVYYQAYVKXWZOY-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO COCC[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753855 494083898 /nfs/dbraw/zinc/08/38/98/494083898.db2.gz VVYYQAYVKXWZOY-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000053663660 494156288 /nfs/dbraw/zinc/15/62/88/494156288.db2.gz IVKPVXCODLNQSA-QPJJXVBHSA-N 1 2 359.473 3.348 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccc(C#N)c1 ZINC000072583381 494209716 /nfs/dbraw/zinc/20/97/16/494209716.db2.gz JOVIYRRZQWJLHU-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccc(C#N)c1 ZINC000072583381 494209720 /nfs/dbraw/zinc/20/97/20/494209720.db2.gz JOVIYRRZQWJLHU-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339354 494222254 /nfs/dbraw/zinc/22/22/54/494222254.db2.gz XLPVOYUNQFUONB-WMZOPIPTSA-N 1 2 371.308 3.308 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339354 494222257 /nfs/dbraw/zinc/22/22/57/494222257.db2.gz XLPVOYUNQFUONB-WMZOPIPTSA-N 1 2 371.308 3.308 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000042657454 494235084 /nfs/dbraw/zinc/23/50/84/494235084.db2.gz VYVKNTGBOGINIH-FQEVSTJZSA-N 1 2 367.449 3.152 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N(CC#N)C4CC4)cc3)[nH+]c12 ZINC000065895021 494252757 /nfs/dbraw/zinc/25/27/57/494252757.db2.gz UGSAQXDOASIYTO-UHFFFAOYSA-N 1 2 360.417 3.350 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2nc(Cc3ccccc3)no2)cs1 ZINC000072920086 494284410 /nfs/dbraw/zinc/28/44/10/494284410.db2.gz QOBKCBZXDJZQES-NSHDSACASA-N 1 2 357.439 3.018 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCC2)CC1 ZINC000577355851 505711418 /nfs/dbraw/zinc/71/14/18/505711418.db2.gz DZPQCTJECUJFGF-CYBMUJFWSA-N 1 2 373.522 3.469 20 30 FGEDLO C=CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294077 494346161 /nfs/dbraw/zinc/34/61/61/494346161.db2.gz XRMXTVBZAFWSDQ-UHFFFAOYSA-N 1 2 366.461 3.281 20 30 FGEDLO C=CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294077 494346165 /nfs/dbraw/zinc/34/61/65/494346165.db2.gz XRMXTVBZAFWSDQ-UHFFFAOYSA-N 1 2 366.461 3.281 20 30 FGEDLO C=CC[N@H+](CCCOc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559746 494355176 /nfs/dbraw/zinc/35/51/76/494355176.db2.gz CZMRKZZNRLCYBV-IBGZPJMESA-N 1 2 359.491 3.284 20 30 FGEDLO C=CC[N@@H+](CCCOc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559746 494355178 /nfs/dbraw/zinc/35/51/78/494355178.db2.gz CZMRKZZNRLCYBV-IBGZPJMESA-N 1 2 359.491 3.284 20 30 FGEDLO Cc1cc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843724 494418320 /nfs/dbraw/zinc/41/83/20/494418320.db2.gz CCCRXMUPHPCTQZ-UHFFFAOYSA-N 1 2 372.472 3.166 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000073872528 494440564 /nfs/dbraw/zinc/44/05/64/494440564.db2.gz ZTPNEWMXPGTJEJ-CQSZACIVSA-N 1 2 351.878 3.023 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000073872528 494440570 /nfs/dbraw/zinc/44/05/70/494440570.db2.gz ZTPNEWMXPGTJEJ-CQSZACIVSA-N 1 2 351.878 3.023 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000045909988 494475754 /nfs/dbraw/zinc/47/57/54/494475754.db2.gz CPHFGADMHHHPJE-MRXNPFEDSA-N 1 2 358.423 3.013 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000056512342 494516973 /nfs/dbraw/zinc/51/69/73/494516973.db2.gz ZGGBPTQEFGUUKV-LJQANCHMSA-N 1 2 357.425 3.456 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000056512342 494516975 /nfs/dbraw/zinc/51/69/75/494516975.db2.gz ZGGBPTQEFGUUKV-LJQANCHMSA-N 1 2 357.425 3.456 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000067367983 494524445 /nfs/dbraw/zinc/52/44/45/494524445.db2.gz ZQGLXNUHCBLPMY-BETUJISGSA-N 1 2 357.845 3.227 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000046528770 494536605 /nfs/dbraw/zinc/53/66/05/494536605.db2.gz MOLJYSIILQEGDO-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000046528770 494536608 /nfs/dbraw/zinc/53/66/08/494536608.db2.gz MOLJYSIILQEGDO-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000023258816 494558298 /nfs/dbraw/zinc/55/82/98/494558298.db2.gz AOOWMMSNKJIPPA-UHFFFAOYSA-N 1 2 357.461 3.062 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCOc3ccccc3)CC2)cc1 ZINC000023437338 494567024 /nfs/dbraw/zinc/56/70/24/494567024.db2.gz JLEAGBNKTIRVPK-UHFFFAOYSA-N 1 2 363.461 3.062 20 30 FGEDLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000046921346 494586801 /nfs/dbraw/zinc/58/68/01/494586801.db2.gz QEOXFGHZQOGRIP-MRXNPFEDSA-N 1 2 359.433 3.363 20 30 FGEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000056893116 494587071 /nfs/dbraw/zinc/58/70/71/494587071.db2.gz LHSKTPREQQLEKN-UHFFFAOYSA-N 1 2 362.477 3.203 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000126003689 494603434 /nfs/dbraw/zinc/60/34/34/494603434.db2.gz PZBUIQJPWWRWTM-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000126003689 494603439 /nfs/dbraw/zinc/60/34/39/494603439.db2.gz PZBUIQJPWWRWTM-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2sccc2C#N)o1 ZINC000126066491 494624151 /nfs/dbraw/zinc/62/41/51/494624151.db2.gz NQHDIYZPGYLXDW-OAHLLOKOSA-N 1 2 359.451 3.177 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2sccc2C#N)o1 ZINC000126066491 494624158 /nfs/dbraw/zinc/62/41/58/494624158.db2.gz NQHDIYZPGYLXDW-OAHLLOKOSA-N 1 2 359.451 3.177 20 30 FGEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000074989802 494670059 /nfs/dbraw/zinc/67/00/59/494670059.db2.gz ICKGPMHSKBNIAM-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000074989802 494670066 /nfs/dbraw/zinc/67/00/66/494670066.db2.gz ICKGPMHSKBNIAM-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000057240158 494689180 /nfs/dbraw/zinc/68/91/80/494689180.db2.gz RSHIKVMHZLNDFL-UHFFFAOYSA-N 1 2 360.417 3.143 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025054569 494693094 /nfs/dbraw/zinc/69/30/94/494693094.db2.gz VDYLWNMYQGDONW-MRXNPFEDSA-N 1 2 361.445 3.480 20 30 FGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000121454364 494763434 /nfs/dbraw/zinc/76/34/34/494763434.db2.gz WMBGORIPRVJHIW-OAQYLSRUSA-N 1 2 360.417 3.356 20 30 FGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000121454364 494763441 /nfs/dbraw/zinc/76/34/41/494763441.db2.gz WMBGORIPRVJHIW-OAQYLSRUSA-N 1 2 360.417 3.356 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@@H](C#N)C4CC4)c3)cn2c1 ZINC000108842478 494793757 /nfs/dbraw/zinc/79/37/57/494793757.db2.gz DIBKVUJSOXCHHU-IBGZPJMESA-N 1 2 360.417 3.254 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126644352 494809269 /nfs/dbraw/zinc/80/92/69/494809269.db2.gz HMBFUSUCSGLAKH-QGZVFWFLSA-N 1 2 361.445 3.032 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126644352 494809273 /nfs/dbraw/zinc/80/92/73/494809273.db2.gz HMBFUSUCSGLAKH-QGZVFWFLSA-N 1 2 361.445 3.032 20 30 FGEDLO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109204886 494845609 /nfs/dbraw/zinc/84/56/09/494845609.db2.gz CJFZYMFOZYYXJP-QGZVFWFLSA-N 1 2 365.452 3.220 20 30 FGEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1OC ZINC000093365464 494880418 /nfs/dbraw/zinc/88/04/18/494880418.db2.gz BHRUVRUKISWQTD-UHFFFAOYSA-N 1 2 366.421 3.337 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1OC ZINC000093365464 494880423 /nfs/dbraw/zinc/88/04/23/494880423.db2.gz BHRUVRUKISWQTD-UHFFFAOYSA-N 1 2 366.421 3.337 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354184 494912963 /nfs/dbraw/zinc/91/29/63/494912963.db2.gz QQGPXZJHNYVVLW-LLVKDONJSA-N 1 2 358.326 3.392 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354184 494912966 /nfs/dbraw/zinc/91/29/66/494912966.db2.gz QQGPXZJHNYVVLW-LLVKDONJSA-N 1 2 358.326 3.392 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000094133297 494953346 /nfs/dbraw/zinc/95/33/46/494953346.db2.gz PAVXKMYNWVEESJ-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000118396901 494999846 /nfs/dbraw/zinc/99/98/46/494999846.db2.gz YTGTXYPCWPMRIA-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO CCC(CC)CN(CCC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110718709 495003484 /nfs/dbraw/zinc/00/34/84/495003484.db2.gz HUCABMFXRJBZSY-UHFFFAOYSA-N 1 2 357.498 3.311 20 30 FGEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4ncccc4C#N)CC3)s2)o1 ZINC000122965436 495060902 /nfs/dbraw/zinc/06/09/02/495060902.db2.gz BVLMMWYAEJCYOJ-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111476706 495080357 /nfs/dbraw/zinc/08/03/57/495080357.db2.gz ZEIIEZFCDNUJJJ-UHFFFAOYSA-N 1 2 362.433 3.437 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119094187 495091132 /nfs/dbraw/zinc/09/11/32/495091132.db2.gz RAIWARHLUDZEHM-UHFFFAOYSA-N 1 2 366.465 3.447 20 30 FGEDLO C=CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000119535220 495185344 /nfs/dbraw/zinc/18/53/44/495185344.db2.gz PCOPZDYTRSNJCL-CQSZACIVSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000119535220 495185347 /nfs/dbraw/zinc/18/53/47/495185347.db2.gz PCOPZDYTRSNJCL-CQSZACIVSA-N 1 2 364.294 3.047 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c(F)c1 ZINC000120343758 495357272 /nfs/dbraw/zinc/35/72/72/495357272.db2.gz SASJZXGJRPVAAE-UHFFFAOYSA-N 1 2 352.344 3.227 20 30 FGEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130786602 495446082 /nfs/dbraw/zinc/44/60/82/495446082.db2.gz KGWHDJWGJIZFJR-UHFFFAOYSA-N 1 2 352.360 3.173 20 30 FGEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130786602 495446085 /nfs/dbraw/zinc/44/60/85/495446085.db2.gz KGWHDJWGJIZFJR-UHFFFAOYSA-N 1 2 352.360 3.173 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000106372552 495450599 /nfs/dbraw/zinc/45/05/99/495450599.db2.gz AKVGCPVWOHPVJD-UHFFFAOYSA-N 1 2 371.872 3.065 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000176216016 495549834 /nfs/dbraw/zinc/54/98/34/495549834.db2.gz UVRQJUHWMSABFM-NRFANRHFSA-N 1 2 366.486 3.484 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000176216016 495549835 /nfs/dbraw/zinc/54/98/35/495549835.db2.gz UVRQJUHWMSABFM-NRFANRHFSA-N 1 2 366.486 3.484 20 30 FGEDLO N#Cc1ccccc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000173716387 495660182 /nfs/dbraw/zinc/66/01/82/495660182.db2.gz VBFKDWSUTNHCAF-UHFFFAOYSA-N 1 2 367.474 3.121 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)C3CCCCC3)cn2c1 ZINC000176601270 495715781 /nfs/dbraw/zinc/71/57/81/495715781.db2.gz ZQSFYWXEOFKNMK-KRWDZBQOSA-N 1 2 356.495 3.465 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000154927119 495774491 /nfs/dbraw/zinc/77/44/91/495774491.db2.gz CIEAUNFAPSTGFC-UHFFFAOYSA-N 1 2 363.461 3.327 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000185937808 495789324 /nfs/dbraw/zinc/78/93/24/495789324.db2.gz ZZRIPYJDRABMDP-YGRLFVJLSA-N 1 2 362.421 3.257 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)n1 ZINC000580645258 505804518 /nfs/dbraw/zinc/80/45/18/505804518.db2.gz XYGPDUNGGYKYCQ-NSHDSACASA-N 1 2 354.204 3.140 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(C#N)s2)c2nccn2C)c1 ZINC000176945567 495851671 /nfs/dbraw/zinc/85/16/71/495851671.db2.gz SWXZNGMDHOUXBO-SFHVURJKSA-N 1 2 368.462 3.250 20 30 FGEDLO CCOc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000155278538 495901340 /nfs/dbraw/zinc/90/13/40/495901340.db2.gz XWPPLOMPEQRMLM-FQEVSTJZSA-N 1 2 365.477 3.476 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000155336327 495924267 /nfs/dbraw/zinc/92/42/67/495924267.db2.gz RNNJDWXHFKILLL-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn21 ZINC000171765156 496026607 /nfs/dbraw/zinc/02/66/07/496026607.db2.gz WZBDHUFHGVGTHN-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO Cc1nsc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000177356886 496030682 /nfs/dbraw/zinc/03/06/82/496030682.db2.gz SBJMECPJSCQYTQ-UHFFFAOYSA-N 1 2 366.412 3.039 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155703610 496040260 /nfs/dbraw/zinc/04/02/60/496040260.db2.gz STVIHMDDTJXRRN-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155703610 496040269 /nfs/dbraw/zinc/04/02/69/496040269.db2.gz STVIHMDDTJXRRN-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000161138832 496112784 /nfs/dbraw/zinc/11/27/84/496112784.db2.gz OXTLMCNGDDJFKC-QGZVFWFLSA-N 1 2 366.465 3.247 20 30 FGEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000161138832 496112789 /nfs/dbraw/zinc/11/27/89/496112789.db2.gz OXTLMCNGDDJFKC-QGZVFWFLSA-N 1 2 366.465 3.247 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)[nH]1 ZINC000152386420 496135221 /nfs/dbraw/zinc/13/52/21/496135221.db2.gz HHAVPIPIQSCMIS-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)[nH]1 ZINC000152386420 496135223 /nfs/dbraw/zinc/13/52/23/496135223.db2.gz HHAVPIPIQSCMIS-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000177641322 496142860 /nfs/dbraw/zinc/14/28/60/496142860.db2.gz XDAVLDFZACGVFY-INIZCTEOSA-N 1 2 351.425 3.411 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000183977967 496185262 /nfs/dbraw/zinc/18/52/62/496185262.db2.gz PPVMBXMHJVHMDK-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574682011 505830855 /nfs/dbraw/zinc/83/08/55/505830855.db2.gz FERMVGBXLDPBPT-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574682011 505830859 /nfs/dbraw/zinc/83/08/59/505830859.db2.gz FERMVGBXLDPBPT-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000187028552 496259366 /nfs/dbraw/zinc/25/93/66/496259366.db2.gz AMAMYIPZRKGMCI-SFHVURJKSA-N 1 2 369.415 3.287 20 30 FGEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000161942763 496268094 /nfs/dbraw/zinc/26/80/94/496268094.db2.gz JSNASMKVFUWAEC-PWSUYJOCSA-N 1 2 361.667 3.076 20 30 FGEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000161942763 496268096 /nfs/dbraw/zinc/26/80/96/496268096.db2.gz JSNASMKVFUWAEC-PWSUYJOCSA-N 1 2 361.667 3.076 20 30 FGEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000152836393 496270789 /nfs/dbraw/zinc/27/07/89/496270789.db2.gz QRXXPVYSONWWBG-UHFFFAOYSA-N 1 2 367.434 3.049 20 30 FGEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000152836393 496270794 /nfs/dbraw/zinc/27/07/94/496270794.db2.gz QRXXPVYSONWWBG-UHFFFAOYSA-N 1 2 367.434 3.049 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000178260431 496390441 /nfs/dbraw/zinc/39/04/41/496390441.db2.gz BMTHTYMRTHESGY-UHFFFAOYSA-N 1 2 362.433 3.190 20 30 FGEDLO N#Cc1cccc(NCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000153285179 496408334 /nfs/dbraw/zinc/40/83/34/496408334.db2.gz SGKACJSPRFVQNF-UHFFFAOYSA-N 1 2 363.465 3.062 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000157191893 496425311 /nfs/dbraw/zinc/42/53/11/496425311.db2.gz MTHDKLSZSPPFTN-QAPCUYQASA-N 1 2 352.438 3.022 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccco1 ZINC000184566249 496442751 /nfs/dbraw/zinc/44/27/51/496442751.db2.gz QQCPPLOZMPVQHU-GDBMZVCRSA-N 1 2 373.478 3.447 20 30 FGEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000175621347 496468857 /nfs/dbraw/zinc/46/88/57/496468857.db2.gz OCYMCHOQESTKCW-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000175621347 496468861 /nfs/dbraw/zinc/46/88/61/496468861.db2.gz OCYMCHOQESTKCW-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175832990 496563848 /nfs/dbraw/zinc/56/38/48/496563848.db2.gz HQDKEUSVUNLMGF-UONOGXRCSA-N 1 2 361.492 3.208 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175832990 496563854 /nfs/dbraw/zinc/56/38/54/496563854.db2.gz HQDKEUSVUNLMGF-UONOGXRCSA-N 1 2 361.492 3.208 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)c1 ZINC000157999989 496605354 /nfs/dbraw/zinc/60/53/54/496605354.db2.gz UQKAUIBBFHBRTL-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000165721947 496667017 /nfs/dbraw/zinc/66/70/17/496667017.db2.gz URJYQLHVKGUXJD-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194967457 496776066 /nfs/dbraw/zinc/77/60/66/496776066.db2.gz ROWADVLZNMWROH-UHFFFAOYSA-N 1 2 365.433 3.137 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194967457 496776076 /nfs/dbraw/zinc/77/60/76/496776076.db2.gz ROWADVLZNMWROH-UHFFFAOYSA-N 1 2 365.433 3.137 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000191814062 496898372 /nfs/dbraw/zinc/89/83/72/496898372.db2.gz BINJWMZTPIBWGT-GOSISDBHSA-N 1 2 357.251 3.412 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000191814062 496898379 /nfs/dbraw/zinc/89/83/79/496898379.db2.gz BINJWMZTPIBWGT-GOSISDBHSA-N 1 2 357.251 3.412 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000189041363 496988320 /nfs/dbraw/zinc/98/83/20/496988320.db2.gz GEKFJFABEKRDHY-FPOVZHCZSA-N 1 2 374.550 3.061 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)c1 ZINC000189118787 497013836 /nfs/dbraw/zinc/01/38/36/497013836.db2.gz CTTVBBYDPTXBON-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO Cc1cccc(F)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274153639 497029039 /nfs/dbraw/zinc/02/90/39/497029039.db2.gz STYXUUCROVOTPJ-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000248614677 497058111 /nfs/dbraw/zinc/05/81/11/497058111.db2.gz JQIUHFYWSJBSCR-KSSFIOAISA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000248614677 497058116 /nfs/dbraw/zinc/05/81/16/497058116.db2.gz JQIUHFYWSJBSCR-KSSFIOAISA-N 1 2 353.422 3.462 20 30 FGEDLO CC(C)(C)C1=CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000270412981 497122669 /nfs/dbraw/zinc/12/26/69/497122669.db2.gz YAOFPEBMVMBITH-INIZCTEOSA-N 1 2 364.449 3.190 20 30 FGEDLO CC(C)(C)C1=CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000270412981 497122674 /nfs/dbraw/zinc/12/26/74/497122674.db2.gz YAOFPEBMVMBITH-INIZCTEOSA-N 1 2 364.449 3.190 20 30 FGEDLO C=CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000274626225 497133460 /nfs/dbraw/zinc/13/34/60/497133460.db2.gz XVRPIXSWIPSUMA-GOSISDBHSA-N 1 2 372.469 3.182 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2nccn2C)c1 ZINC000192642194 497173076 /nfs/dbraw/zinc/17/30/76/497173076.db2.gz TXYFBONGJPXJLD-ZSZQSSIHSA-N 1 2 354.454 3.199 20 30 FGEDLO N#Cc1cc(Br)ccc1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000581016449 505891272 /nfs/dbraw/zinc/89/12/72/505891272.db2.gz SEPDZRMAHCRQGR-QGZVFWFLSA-N 1 2 358.239 3.369 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190159118 497380916 /nfs/dbraw/zinc/38/09/16/497380916.db2.gz QSJWJXNMZWIUEI-IAGOWNOFSA-N 1 2 373.453 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190159118 497380919 /nfs/dbraw/zinc/38/09/19/497380919.db2.gz QSJWJXNMZWIUEI-IAGOWNOFSA-N 1 2 373.453 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000190159063 497380966 /nfs/dbraw/zinc/38/09/66/497380966.db2.gz QSJWJXNMZWIUEI-IRXDYDNUSA-N 1 2 373.453 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000190159063 497380968 /nfs/dbraw/zinc/38/09/68/497380968.db2.gz QSJWJXNMZWIUEI-IRXDYDNUSA-N 1 2 373.453 3.304 20 30 FGEDLO CCCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC ZINC000578277415 505903344 /nfs/dbraw/zinc/90/33/44/505903344.db2.gz JBCWKPPNUNPDNX-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000245443664 497410326 /nfs/dbraw/zinc/41/03/26/497410326.db2.gz XJQUWUNJRNJVHM-HRAATJIYSA-N 1 2 371.444 3.375 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000245443664 497410330 /nfs/dbraw/zinc/41/03/30/497410330.db2.gz XJQUWUNJRNJVHM-HRAATJIYSA-N 1 2 371.444 3.375 20 30 FGEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@@H]2O ZINC000245500660 497432045 /nfs/dbraw/zinc/43/20/45/497432045.db2.gz BAOHHMXLYJSOOT-KDOFPFPSSA-N 1 2 368.433 3.044 20 30 FGEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@@H]2O ZINC000245500660 497432047 /nfs/dbraw/zinc/43/20/47/497432047.db2.gz BAOHHMXLYJSOOT-KDOFPFPSSA-N 1 2 368.433 3.044 20 30 FGEDLO COc1cc(C(N)=[NH+]OCCc2scnc2C)cc(Cl)c1OC ZINC000267059542 497477913 /nfs/dbraw/zinc/47/79/13/497477913.db2.gz GPGLSGNMUVHWHQ-UHFFFAOYSA-N 1 2 355.847 3.002 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000276117203 497500987 /nfs/dbraw/zinc/50/09/87/497500987.db2.gz AUAQHTLFHYKRLN-NRFANRHFSA-N 1 2 355.482 3.361 20 30 FGEDLO C=CCCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276140837 497505803 /nfs/dbraw/zinc/50/58/03/497505803.db2.gz OENSVTFYPWBFHA-UHFFFAOYSA-N 1 2 365.275 3.165 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245710451 497511994 /nfs/dbraw/zinc/51/19/94/497511994.db2.gz FDSBGOMITPCYJL-MSOLQXFVSA-N 1 2 365.905 3.319 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245710451 497512001 /nfs/dbraw/zinc/51/20/01/497512001.db2.gz FDSBGOMITPCYJL-MSOLQXFVSA-N 1 2 365.905 3.319 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000245740983 497524082 /nfs/dbraw/zinc/52/40/82/497524082.db2.gz DYFCPIYOLRDEAX-WFASDCNBSA-N 1 2 355.360 3.172 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000245740983 497524084 /nfs/dbraw/zinc/52/40/84/497524084.db2.gz DYFCPIYOLRDEAX-WFASDCNBSA-N 1 2 355.360 3.172 20 30 FGEDLO COc1ccnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1OC ZINC000276430525 497573709 /nfs/dbraw/zinc/57/37/09/497573709.db2.gz HCNWMENVVVLGPT-UHFFFAOYSA-N 1 2 353.422 3.014 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(Br)c1 ZINC000272486563 497641374 /nfs/dbraw/zinc/64/13/74/497641374.db2.gz HKAWYFFXJWYEDJ-UHFFFAOYSA-N 1 2 363.177 3.210 20 30 FGEDLO Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2nnnn2CC(F)(F)F)cc1 ZINC000191029357 497687040 /nfs/dbraw/zinc/68/70/40/497687040.db2.gz WKMCRAKUXWTCRO-JTQLQIEISA-N 1 2 371.260 3.158 20 30 FGEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671489 497696608 /nfs/dbraw/zinc/69/66/08/497696608.db2.gz QHRRBBQBXDRBPX-MSOLQXFVSA-N 1 2 357.454 3.167 20 30 FGEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671489 497696610 /nfs/dbraw/zinc/69/66/10/497696610.db2.gz QHRRBBQBXDRBPX-MSOLQXFVSA-N 1 2 357.454 3.167 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)sc1C ZINC000280301863 497712020 /nfs/dbraw/zinc/71/20/20/497712020.db2.gz FRVSJYHYTXYDSU-MRXNPFEDSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)sc1C ZINC000280301863 497712023 /nfs/dbraw/zinc/71/20/23/497712023.db2.gz FRVSJYHYTXYDSU-MRXNPFEDSA-N 1 2 371.462 3.326 20 30 FGEDLO C=C[C@](C)(CC)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000191134098 497720797 /nfs/dbraw/zinc/72/07/97/497720797.db2.gz OGMGAEGGWOHANB-LJQANCHMSA-N 1 2 360.889 3.234 20 30 FGEDLO Cn1cc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000191185100 497736709 /nfs/dbraw/zinc/73/67/09/497736709.db2.gz ORONBZIKLDZDAC-UHFFFAOYSA-N 1 2 362.399 3.233 20 30 FGEDLO Cn1cc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000191185100 497736716 /nfs/dbraw/zinc/73/67/16/497736716.db2.gz ORONBZIKLDZDAC-UHFFFAOYSA-N 1 2 362.399 3.233 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246783703 497810550 /nfs/dbraw/zinc/81/05/50/497810550.db2.gz PHSGGHRBZNXUAN-FUHWJXTLSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246783703 497810551 /nfs/dbraw/zinc/81/05/51/497810551.db2.gz PHSGGHRBZNXUAN-FUHWJXTLSA-N 1 2 354.853 3.323 20 30 FGEDLO O=C(C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NC1CCCC1 ZINC000329590098 497837347 /nfs/dbraw/zinc/83/73/47/497837347.db2.gz SWMVPJDAEMMZDI-SFHVURJKSA-N 1 2 371.481 3.314 20 30 FGEDLO O=C(C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NC1CCCC1 ZINC000329590098 497837354 /nfs/dbraw/zinc/83/73/54/497837354.db2.gz SWMVPJDAEMMZDI-SFHVURJKSA-N 1 2 371.481 3.314 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288735434 497884098 /nfs/dbraw/zinc/88/40/98/497884098.db2.gz JQOAEYNGLAPVTE-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329824345 497915453 /nfs/dbraw/zinc/91/54/53/497915453.db2.gz HVAOELSDKXRIRQ-RPVQJOFSSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329824345 497915460 /nfs/dbraw/zinc/91/54/60/497915460.db2.gz HVAOELSDKXRIRQ-RPVQJOFSSA-N 1 2 360.454 3.324 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCCC(=O)N2)cc1 ZINC000329848525 497925992 /nfs/dbraw/zinc/92/59/92/497925992.db2.gz NIESFYCIHKQBQO-ROUUACIJSA-N 1 2 359.470 3.224 20 30 FGEDLO CC1(C)C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c2ccc(F)cc2O1 ZINC000329924073 497954958 /nfs/dbraw/zinc/95/49/58/497954958.db2.gz UUTLGUNPAZVYRK-BBRMVZONSA-N 1 2 372.444 3.391 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3C[C@@H](C4CC4)O[C@@H](C)C3)c[nH+]2)CC1 ZINC000329924093 497955317 /nfs/dbraw/zinc/95/53/17/497955317.db2.gz UVPBUHQJIQIKPM-LPHOPBHVSA-N 1 2 372.513 3.231 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000280952740 497964335 /nfs/dbraw/zinc/96/43/35/497964335.db2.gz MOAKWPJIAYOBMS-UHFFFAOYSA-N 1 2 365.424 3.309 20 30 FGEDLO [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000330058499 498007436 /nfs/dbraw/zinc/00/74/36/498007436.db2.gz ZBJCWBITPVKCPE-ZDUSSCGKSA-N 1 2 367.428 3.353 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000281102011 498020070 /nfs/dbraw/zinc/02/00/70/498020070.db2.gz WHIZWMMJMBRPQL-MAUKXSAKSA-N 1 2 372.469 3.181 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132036 498032870 /nfs/dbraw/zinc/03/28/70/498032870.db2.gz QCLIEOCLAZCMFE-GQIGUUNPSA-N 1 2 362.470 3.250 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132036 498032874 /nfs/dbraw/zinc/03/28/74/498032874.db2.gz QCLIEOCLAZCMFE-GQIGUUNPSA-N 1 2 362.470 3.250 20 30 FGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330144951 498038487 /nfs/dbraw/zinc/03/84/87/498038487.db2.gz KWDDEOXBCGNTKX-VQIMIIECSA-N 1 2 354.454 3.001 20 30 FGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1SCCc2ccccc21 ZINC000330196481 498058142 /nfs/dbraw/zinc/05/81/42/498058142.db2.gz QHUOAWZMKVXMHL-QGZVFWFLSA-N 1 2 356.495 3.254 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3cc(C#N)nc4ccccc43)c[nH+]2)CCO1 ZINC000301329361 498059342 /nfs/dbraw/zinc/05/93/42/498059342.db2.gz AVUFRIMNFQKQOX-HNNXBMFYSA-N 1 2 359.433 3.339 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253893 498080098 /nfs/dbraw/zinc/08/00/98/498080098.db2.gz OXPGHAOFEKFBML-BBRMVZONSA-N 1 2 353.447 3.008 20 30 FGEDLO C[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253893 498080103 /nfs/dbraw/zinc/08/01/03/498080103.db2.gz OXPGHAOFEKFBML-BBRMVZONSA-N 1 2 353.447 3.008 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 ZINC000364683306 498088082 /nfs/dbraw/zinc/08/80/82/498088082.db2.gz FNGLTUCGHSTPGC-UHFFFAOYSA-N 1 2 372.428 3.298 20 30 FGEDLO CC(C)c1noc([C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CCOCC2)n1 ZINC000330284057 498093292 /nfs/dbraw/zinc/09/32/92/498093292.db2.gz WZCGZQMWQUIQMZ-GDBMZVCRSA-N 1 2 373.457 3.076 20 30 FGEDLO Cc1cn2cc(NC(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)ccc2[nH+]1 ZINC000330326331 498105237 /nfs/dbraw/zinc/10/52/37/498105237.db2.gz JZVJYQAPCQIPEE-LBPRGKRZSA-N 1 2 356.348 3.230 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CCSc3ccccc32)CCO1 ZINC000330339741 498110442 /nfs/dbraw/zinc/11/04/42/498110442.db2.gz XBEMQYYHZIGYEC-KMFMINBZSA-N 1 2 372.494 3.381 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncnn3-c3ccccc3)CC2)c1 ZINC000281420502 498144724 /nfs/dbraw/zinc/14/47/24/498144724.db2.gz BQMVVALQIOALPX-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)c1 ZINC000572524226 505989767 /nfs/dbraw/zinc/98/97/67/505989767.db2.gz WQQQXCZPXDGEQT-LJQANCHMSA-N 1 2 353.376 3.119 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)c1 ZINC000572524226 505989771 /nfs/dbraw/zinc/98/97/71/505989771.db2.gz WQQQXCZPXDGEQT-LJQANCHMSA-N 1 2 353.376 3.119 20 30 FGEDLO C[C@@H](c1nnc(SCCOCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000292843202 498167759 /nfs/dbraw/zinc/16/77/59/498167759.db2.gz ZVXWTGXNEUOVQW-ZDUSSCGKSA-N 1 2 363.462 3.051 20 30 FGEDLO COC(=O)C(C)(C)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330783726 498192509 /nfs/dbraw/zinc/19/25/09/498192509.db2.gz QTKQMKYZXDNIBH-AWEZNQCLSA-N 1 2 362.474 3.294 20 30 FGEDLO Cc1oc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1C1CC1 ZINC000581467000 505994505 /nfs/dbraw/zinc/99/45/05/505994505.db2.gz MHYDSQXUSKJDFS-UHFFFAOYSA-N 1 2 365.437 3.082 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCOCC2)o1 ZINC000301829970 498284293 /nfs/dbraw/zinc/28/42/93/498284293.db2.gz RLIKUMUDUROUQZ-LJQANCHMSA-N 1 2 362.433 3.493 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331412796 498323536 /nfs/dbraw/zinc/32/35/36/498323536.db2.gz JQAVRCXBKVPUDV-INIZCTEOSA-N 1 2 353.426 3.195 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000361102991 498345429 /nfs/dbraw/zinc/34/54/29/498345429.db2.gz GWUGDVVWBKGNNV-UHFFFAOYSA-N 1 2 374.510 3.141 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2ccc(C#N)nn2)c2ccc(Cl)cc2)CCO1 ZINC000302016893 498369440 /nfs/dbraw/zinc/36/94/40/498369440.db2.gz YTUOHTSXSBZUFP-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2ccc(C#N)nn2)c2ccc(Cl)cc2)CCO1 ZINC000302016893 498369444 /nfs/dbraw/zinc/36/94/44/498369444.db2.gz YTUOHTSXSBZUFP-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000286342446 498370062 /nfs/dbraw/zinc/37/00/62/498370062.db2.gz GMQQUHNBSYEQRC-HNNXBMFYSA-N 1 2 371.462 3.110 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000286342446 498370066 /nfs/dbraw/zinc/37/00/66/498370066.db2.gz GMQQUHNBSYEQRC-HNNXBMFYSA-N 1 2 371.462 3.110 20 30 FGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000365244833 498370293 /nfs/dbraw/zinc/37/02/93/498370293.db2.gz ULXYXLMQOBMXOZ-CYBMUJFWSA-N 1 2 374.404 3.115 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331569119 498376718 /nfs/dbraw/zinc/37/67/18/498376718.db2.gz NXVOQGIDVFDKGU-OXQOHEQNSA-N 1 2 354.454 3.409 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331569119 498376724 /nfs/dbraw/zinc/37/67/24/498376724.db2.gz NXVOQGIDVFDKGU-OXQOHEQNSA-N 1 2 354.454 3.409 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331569122 498376996 /nfs/dbraw/zinc/37/69/96/498376996.db2.gz NXVOQGIDVFDKGU-UZLBHIALSA-N 1 2 354.454 3.409 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331569122 498377000 /nfs/dbraw/zinc/37/70/00/498377000.db2.gz NXVOQGIDVFDKGU-UZLBHIALSA-N 1 2 354.454 3.409 20 30 FGEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365427180 498462037 /nfs/dbraw/zinc/46/20/37/498462037.db2.gz XLWWXICQTZZQPM-GFCCVEGCSA-N 1 2 363.780 3.293 20 30 FGEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365427180 498462043 /nfs/dbraw/zinc/46/20/43/498462043.db2.gz XLWWXICQTZZQPM-GFCCVEGCSA-N 1 2 363.780 3.293 20 30 FGEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1c(C#N)cccc1C#N ZINC000302435880 498484590 /nfs/dbraw/zinc/48/45/90/498484590.db2.gz MFAKRZKOWUKULU-QGZVFWFLSA-N 1 2 352.463 3.001 20 30 FGEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000578886899 506044893 /nfs/dbraw/zinc/04/48/93/506044893.db2.gz ZQIHCKRPYKLUJH-QPJJXVBHSA-N 1 2 374.488 3.293 20 30 FGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1C#N ZINC000302674434 498529448 /nfs/dbraw/zinc/52/94/48/498529448.db2.gz TUNKQDPCHPRMEW-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000282765124 498646280 /nfs/dbraw/zinc/64/62/80/498646280.db2.gz OLTDCVAWDKVWCH-YTQUADARSA-N 1 2 368.481 3.423 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1c1ccccc1 ZINC000282765124 498646285 /nfs/dbraw/zinc/64/62/85/498646285.db2.gz OLTDCVAWDKVWCH-YTQUADARSA-N 1 2 368.481 3.423 20 30 FGEDLO COc1ccc(Cl)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000332445814 498689916 /nfs/dbraw/zinc/68/99/16/498689916.db2.gz KUHSTJISGNWRAH-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000287310669 498711148 /nfs/dbraw/zinc/71/11/48/498711148.db2.gz UGXHOVPASZIWHU-UHFFFAOYSA-N 1 2 374.242 3.455 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000332613925 498741855 /nfs/dbraw/zinc/74/18/55/498741855.db2.gz GJXDLXIODSCVJG-GFCCVEGCSA-N 1 2 358.392 3.075 20 30 FGEDLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2[nH+]1 ZINC000570101942 506091348 /nfs/dbraw/zinc/09/13/48/506091348.db2.gz PUJUYQILEPJXPL-CQSZACIVSA-N 1 2 363.396 3.347 20 30 FGEDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000366287701 498858521 /nfs/dbraw/zinc/85/85/21/498858521.db2.gz UIMXAUJOWHSSEL-UHFFFAOYSA-N 1 2 368.836 3.142 20 30 FGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000576184907 506096217 /nfs/dbraw/zinc/09/62/17/506096217.db2.gz CKCFAOHGFNRFIE-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000576184907 506096219 /nfs/dbraw/zinc/09/62/19/506096219.db2.gz CKCFAOHGFNRFIE-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000328662071 498894434 /nfs/dbraw/zinc/89/44/34/498894434.db2.gz XBXGQJOMSDCMKC-IXDOHACOSA-N 1 2 360.502 3.310 20 30 FGEDLO N#Cc1ncn(C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)n1 ZINC000366369378 498895656 /nfs/dbraw/zinc/89/56/56/498895656.db2.gz ANZKRLHGQIUTDA-UHFFFAOYSA-N 1 2 364.478 3.034 20 30 FGEDLO CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328666347 498896227 /nfs/dbraw/zinc/89/62/27/498896227.db2.gz ZWZDPLXXTHILQM-JKSUJKDBSA-N 1 2 361.490 3.061 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374328 498899072 /nfs/dbraw/zinc/89/90/72/498899072.db2.gz HTHUQRFXKIQKDB-CZUORRHYSA-N 1 2 358.467 3.161 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374328 498899074 /nfs/dbraw/zinc/89/90/74/498899074.db2.gz HTHUQRFXKIQKDB-CZUORRHYSA-N 1 2 358.467 3.161 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328717003 498912535 /nfs/dbraw/zinc/91/25/35/498912535.db2.gz UHZOBQNINKKVFJ-OXJNMPFZSA-N 1 2 371.481 3.259 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)[NH+]1CCSCC1 ZINC000328771840 498932863 /nfs/dbraw/zinc/93/28/63/498932863.db2.gz HAFSTVBSYIUCFM-LLVKDONJSA-N 1 2 368.890 3.099 20 30 FGEDLO Cc1nc2c(cccc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000283617119 498938779 /nfs/dbraw/zinc/93/87/79/498938779.db2.gz ZYJUKVGARWODAZ-UHFFFAOYSA-N 1 2 373.460 3.091 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288152553 498955137 /nfs/dbraw/zinc/95/51/37/498955137.db2.gz MIVMPVMZXXYGLL-MISYRCLQSA-N 1 2 350.466 3.110 20 30 FGEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328887631 498975121 /nfs/dbraw/zinc/97/51/21/498975121.db2.gz PPODVECRSIYROP-HFTRVMKXSA-N 1 2 357.454 3.121 20 30 FGEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328887631 498975125 /nfs/dbraw/zinc/97/51/25/498975125.db2.gz PPODVECRSIYROP-HFTRVMKXSA-N 1 2 357.454 3.121 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328988703 499007366 /nfs/dbraw/zinc/00/73/66/499007366.db2.gz UUPCZOKULXFYRF-XYPHTWIQSA-N 1 2 358.486 3.090 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328988703 499007373 /nfs/dbraw/zinc/00/73/73/499007373.db2.gz UUPCZOKULXFYRF-XYPHTWIQSA-N 1 2 358.486 3.090 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCC(=O)N1C1CC1 ZINC000328994716 499009648 /nfs/dbraw/zinc/00/96/48/499009648.db2.gz FCJMRBXJHKMWES-CZUORRHYSA-N 1 2 358.486 3.253 20 30 FGEDLO Cc1sccc1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329035134 499021011 /nfs/dbraw/zinc/02/10/11/499021011.db2.gz QXTXKXSCHCDQKH-DNVCBOLYSA-N 1 2 372.494 3.184 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329042634 499023820 /nfs/dbraw/zinc/02/38/20/499023820.db2.gz TXOBHRCCFPBWLK-IRXDYDNUSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329042634 499023824 /nfs/dbraw/zinc/02/38/24/499023824.db2.gz TXOBHRCCFPBWLK-IRXDYDNUSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000366671868 499028514 /nfs/dbraw/zinc/02/85/14/499028514.db2.gz JZIRAKIIHJACMG-RTBURBONSA-N 1 2 371.387 3.446 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000366671868 499028521 /nfs/dbraw/zinc/02/85/21/499028521.db2.gz JZIRAKIIHJACMG-RTBURBONSA-N 1 2 371.387 3.446 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329082562 499037150 /nfs/dbraw/zinc/03/71/50/499037150.db2.gz SFWLVRJDHNDSGA-DZOHQFGASA-N 1 2 360.502 3.360 20 30 FGEDLO C#CC[C@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC000366755608 499061926 /nfs/dbraw/zinc/06/19/26/499061926.db2.gz HMECWNOPVOBFMO-IBGZPJMESA-N 1 2 368.506 3.171 20 30 FGEDLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000329213518 499073803 /nfs/dbraw/zinc/07/38/03/499073803.db2.gz JPCXEPPDWVPDJB-AWEZNQCLSA-N 1 2 373.316 3.202 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000329249495 499083828 /nfs/dbraw/zinc/08/38/28/499083828.db2.gz ASWKDRJBAJDQPW-AWEZNQCLSA-N 1 2 355.438 3.423 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@@]3(CCOC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329310897 499096163 /nfs/dbraw/zinc/09/61/63/499096163.db2.gz FZRNMQXNIZBEQK-OXQOHEQNSA-N 1 2 358.486 3.427 20 30 FGEDLO CC[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCO1 ZINC000329319860 499098058 /nfs/dbraw/zinc/09/80/58/499098058.db2.gz DUHYMQKXZFPPHB-ZFWWWQNUSA-N 1 2 358.442 3.193 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC(=O)N1 ZINC000329358686 499107672 /nfs/dbraw/zinc/10/76/72/499107672.db2.gz XEWLRBBQHJDFSY-SADCGLOJSA-N 1 2 351.397 3.422 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC(=O)N1 ZINC000329358686 499107678 /nfs/dbraw/zinc/10/76/78/499107678.db2.gz XEWLRBBQHJDFSY-SADCGLOJSA-N 1 2 351.397 3.422 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CN1CCCCCCC1=O)C2 ZINC000329401667 499115713 /nfs/dbraw/zinc/11/57/13/499115713.db2.gz YFHJGWINHLSQAK-HNNXBMFYSA-N 1 2 360.502 3.245 20 30 FGEDLO CC(=O)N1CCC(NC(=O)COc2cc(C)[nH+]c3c(C)cccc23)CC1 ZINC000329429030 499120048 /nfs/dbraw/zinc/12/00/48/499120048.db2.gz HTXNAIIFKYMQIH-UHFFFAOYSA-N 1 2 355.438 3.198 20 30 FGEDLO C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCOCC1 ZINC000329432882 499120857 /nfs/dbraw/zinc/12/08/57/499120857.db2.gz IUXDXSMYNYXAFZ-AEFFLSMTSA-N 1 2 374.529 3.170 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000329459785 499124710 /nfs/dbraw/zinc/12/47/10/499124710.db2.gz RTSITWUVUKYFIZ-HNNXBMFYSA-N 1 2 366.469 3.421 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1Cl ZINC000329483985 499127365 /nfs/dbraw/zinc/12/73/65/499127365.db2.gz FMKXYLUDUBFSKY-APWZRJJASA-N 1 2 366.889 3.457 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1Cl ZINC000329483985 499127366 /nfs/dbraw/zinc/12/73/66/499127366.db2.gz FMKXYLUDUBFSKY-APWZRJJASA-N 1 2 366.889 3.457 20 30 FGEDLO NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329483185 499127434 /nfs/dbraw/zinc/12/74/34/499127434.db2.gz RUQLVWCJJANGGC-OAHLLOKOSA-N 1 2 367.453 3.485 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000372564112 499146421 /nfs/dbraw/zinc/14/64/21/499146421.db2.gz MJHVMPOULNTDKO-SFTDATJTSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000372564112 499146422 /nfs/dbraw/zinc/14/64/22/499146422.db2.gz MJHVMPOULNTDKO-SFTDATJTSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000367258863 499169204 /nfs/dbraw/zinc/16/92/04/499169204.db2.gz SPYRKSKGIPERSQ-TZIWHRDSSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000367258863 499169206 /nfs/dbraw/zinc/16/92/06/499169206.db2.gz SPYRKSKGIPERSQ-TZIWHRDSSA-N 1 2 361.530 3.198 20 30 FGEDLO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370542804 499230294 /nfs/dbraw/zinc/23/02/94/499230294.db2.gz UQXOXLRRTHGBKJ-GOSISDBHSA-N 1 2 363.396 3.078 20 30 FGEDLO CCN(C(=O)c1cccc(CC#N)c1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370857380 499262965 /nfs/dbraw/zinc/26/29/65/499262965.db2.gz NPYRPWUYKCICAY-IBGZPJMESA-N 1 2 359.433 3.133 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)OCC ZINC000371062711 499285250 /nfs/dbraw/zinc/28/52/50/499285250.db2.gz LHECHVTVRZYXBB-MJGOQNOKSA-N 1 2 357.454 3.006 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368465629 499298586 /nfs/dbraw/zinc/29/85/86/499298586.db2.gz MDUNVTDQIRDYRP-HXUWFJFHSA-N 1 2 366.465 3.153 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371543827 499339841 /nfs/dbraw/zinc/33/98/41/499339841.db2.gz PBEOBDKNPFTVNT-LKBUQDJMSA-N 1 2 358.401 3.234 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371543827 499339843 /nfs/dbraw/zinc/33/98/43/499339843.db2.gz PBEOBDKNPFTVNT-LKBUQDJMSA-N 1 2 358.401 3.234 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368915352 499345865 /nfs/dbraw/zinc/34/58/65/499345865.db2.gz ZVFDAQCPZLFTKJ-AEFFLSMTSA-N 1 2 355.463 3.146 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368915352 499345866 /nfs/dbraw/zinc/34/58/66/499345866.db2.gz ZVFDAQCPZLFTKJ-AEFFLSMTSA-N 1 2 355.463 3.146 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000369203248 499376908 /nfs/dbraw/zinc/37/69/08/499376908.db2.gz BPFUDQJKBUCZOC-UHFFFAOYSA-N 1 2 355.388 3.490 20 30 FGEDLO N#C[C@H]1N(Cc2[nH+]ccn2Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000369304274 499389591 /nfs/dbraw/zinc/38/95/91/499389591.db2.gz ZZXZSYVSVYFLLE-TZIWHRDSSA-N 1 2 350.466 3.359 20 30 FGEDLO COc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccn2)c1 ZINC000372161418 499404279 /nfs/dbraw/zinc/40/42/79/499404279.db2.gz WSJKZUCLJOCLSD-JOCHJYFZSA-N 1 2 372.428 3.280 20 30 FGEDLO CCN(C(=O)c1ccc(C#N)cc1C)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000372182535 499406131 /nfs/dbraw/zinc/40/61/31/499406131.db2.gz WPGUTLFFZPYJPO-IBGZPJMESA-N 1 2 359.433 3.247 20 30 FGEDLO CC(C)OC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000373488345 499472863 /nfs/dbraw/zinc/47/28/63/499472863.db2.gz CVAQGJYTRQIFOA-HXUWFJFHSA-N 1 2 368.481 3.090 20 30 FGEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000373488345 499472864 /nfs/dbraw/zinc/47/28/64/499472864.db2.gz CVAQGJYTRQIFOA-HXUWFJFHSA-N 1 2 368.481 3.090 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378240459 499493541 /nfs/dbraw/zinc/49/35/41/499493541.db2.gz APVGROPKXCKZKL-GOSISDBHSA-N 1 2 368.481 3.475 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(F)(c3cccnc3)CC2)c(C#N)c1C ZINC000375359978 499510733 /nfs/dbraw/zinc/51/07/33/499510733.db2.gz GJILMMSSJZCKBU-UHFFFAOYSA-N 1 2 356.401 3.062 20 30 FGEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000375378929 499511884 /nfs/dbraw/zinc/51/18/84/499511884.db2.gz NCKIKCQZACOOEN-UHFFFAOYSA-N 1 2 357.845 3.061 20 30 FGEDLO N#Cc1nc(NCc2[nH+]ccn2CCc2ccccc2)ccc1C(F)(F)F ZINC000409722911 499617876 /nfs/dbraw/zinc/61/78/76/499617876.db2.gz YLTGYJNRUUKTCV-UHFFFAOYSA-N 1 2 371.366 3.445 20 30 FGEDLO Cc1ccc2ncc(C[N@@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400736 499735022 /nfs/dbraw/zinc/73/50/22/499735022.db2.gz KWTDAPYMSAUKTI-FDDCHVKYSA-N 1 2 368.440 3.389 20 30 FGEDLO Cc1ccc2ncc(C[N@H+]3C[C@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400736 499735025 /nfs/dbraw/zinc/73/50/25/499735025.db2.gz KWTDAPYMSAUKTI-FDDCHVKYSA-N 1 2 368.440 3.389 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929126 499960103 /nfs/dbraw/zinc/96/01/03/499960103.db2.gz LSXJPWUXGQDHAY-RDJZCZTQSA-N 1 2 373.415 3.197 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929126 499960106 /nfs/dbraw/zinc/96/01/06/499960106.db2.gz LSXJPWUXGQDHAY-RDJZCZTQSA-N 1 2 373.415 3.197 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(C)c(N(C)C)cc3C#N)cn2c1 ZINC000417128835 499981522 /nfs/dbraw/zinc/98/15/22/499981522.db2.gz KWMYNMVCTWYHRH-UHFFFAOYSA-N 1 2 362.437 3.211 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429238402 500030621 /nfs/dbraw/zinc/03/06/21/500030621.db2.gz NLKZWVMCPDVCFR-QGZVFWFLSA-N 1 2 372.488 3.021 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429238402 500030626 /nfs/dbraw/zinc/03/06/26/500030626.db2.gz NLKZWVMCPDVCFR-QGZVFWFLSA-N 1 2 372.488 3.021 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000425210425 500045159 /nfs/dbraw/zinc/04/51/59/500045159.db2.gz UMKMBWSRUACXAY-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000414099340 500153221 /nfs/dbraw/zinc/15/32/21/500153221.db2.gz QELSJKVULDRSCL-KRWDZBQOSA-N 1 2 370.522 3.050 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000414099340 500153224 /nfs/dbraw/zinc/15/32/24/500153224.db2.gz QELSJKVULDRSCL-KRWDZBQOSA-N 1 2 370.522 3.050 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000425655640 500172023 /nfs/dbraw/zinc/17/20/23/500172023.db2.gz YVAKIPIRERDCEC-NBOOPKSLSA-N 1 2 356.470 3.110 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1C ZINC000430256845 500216486 /nfs/dbraw/zinc/21/64/86/500216486.db2.gz MAGFSPBDUGWCPF-XGHQBKJUSA-N 1 2 360.498 3.132 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1C ZINC000430256845 500216488 /nfs/dbraw/zinc/21/64/88/500216488.db2.gz MAGFSPBDUGWCPF-XGHQBKJUSA-N 1 2 360.498 3.132 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2(CC#N)CC2)c(C)c1 ZINC000430910590 500305583 /nfs/dbraw/zinc/30/55/83/500305583.db2.gz VXFHTDDKOGTODW-GOSISDBHSA-N 1 2 351.454 3.234 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(CC#N)CC1 ZINC000431045709 500328335 /nfs/dbraw/zinc/32/83/35/500328335.db2.gz BLGCPJGONJLUDR-UHFFFAOYSA-N 1 2 355.486 3.023 20 30 FGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000419373629 500358473 /nfs/dbraw/zinc/35/84/73/500358473.db2.gz OMVORAHPPDPNHT-VQTJNVASSA-N 1 2 352.409 3.449 20 30 FGEDLO O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423766392 500400288 /nfs/dbraw/zinc/40/02/88/500400288.db2.gz VIRZWNMIPAKAQI-QMMMGPOBSA-N 1 2 360.229 3.243 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000427678364 500420247 /nfs/dbraw/zinc/42/02/47/500420247.db2.gz LISOPKLHGMVQRX-MRXNPFEDSA-N 1 2 366.465 3.268 20 30 FGEDLO CSCC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1nnc2ccccn21 ZINC000428352819 500499457 /nfs/dbraw/zinc/49/94/57/500499457.db2.gz RFLDUDJUDIRUEX-MRXNPFEDSA-N 1 2 355.442 3.324 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000428848980 500565452 /nfs/dbraw/zinc/56/54/52/500565452.db2.gz GKOYQJFEPAIVJU-CYBMUJFWSA-N 1 2 355.511 3.342 20 30 FGEDLO C=CC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000428848980 500565456 /nfs/dbraw/zinc/56/54/56/500565456.db2.gz GKOYQJFEPAIVJU-CYBMUJFWSA-N 1 2 355.511 3.342 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)cc1 ZINC000442890293 500641625 /nfs/dbraw/zinc/64/16/25/500641625.db2.gz JSBOFQHTNMDFCF-UHFFFAOYSA-N 1 2 373.497 3.221 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433299824 500665124 /nfs/dbraw/zinc/66/51/24/500665124.db2.gz ROJJJHNNGKBIED-AWEZNQCLSA-N 1 2 350.260 3.036 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433299824 500665128 /nfs/dbraw/zinc/66/51/28/500665128.db2.gz ROJJJHNNGKBIED-AWEZNQCLSA-N 1 2 350.260 3.036 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3nccnc3C)CC2)cc1Cl ZINC000443075049 500675210 /nfs/dbraw/zinc/67/52/10/500675210.db2.gz YSFVRWDICMLDMZ-UHFFFAOYSA-N 1 2 358.873 3.325 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000570643264 506209578 /nfs/dbraw/zinc/20/95/78/506209578.db2.gz RDDPIMHCLMNUQI-UKRRQHHQSA-N 1 2 356.451 3.301 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(OC(F)F)c1 ZINC000437892574 500713573 /nfs/dbraw/zinc/71/35/73/500713573.db2.gz XVGLIEXRBVWKKH-UHFFFAOYSA-N 1 2 363.330 3.230 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(OC(F)F)c1 ZINC000437892574 500713575 /nfs/dbraw/zinc/71/35/75/500713575.db2.gz XVGLIEXRBVWKKH-UHFFFAOYSA-N 1 2 363.330 3.230 20 30 FGEDLO C=CC[N@H+](Cc1cnn2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438267966 500761067 /nfs/dbraw/zinc/76/10/67/500761067.db2.gz CLIPRZIRVPXOQS-NRFANRHFSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CC[N@@H+](Cc1cnn2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438267966 500761069 /nfs/dbraw/zinc/76/10/69/500761069.db2.gz CLIPRZIRVPXOQS-NRFANRHFSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CC[N@H+](Cc1nc(C)ccc1O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438274306 500761646 /nfs/dbraw/zinc/76/16/46/500761646.db2.gz ABICYKBJCPDPFC-IBGZPJMESA-N 1 2 354.450 3.258 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C)ccc1O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438274306 500761648 /nfs/dbraw/zinc/76/16/48/500761648.db2.gz ABICYKBJCPDPFC-IBGZPJMESA-N 1 2 354.450 3.258 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000448730377 500816980 /nfs/dbraw/zinc/81/69/80/500816980.db2.gz WZRCGDIZGJUTDZ-KBPBESRZSA-N 1 2 352.438 3.056 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611577346 506220645 /nfs/dbraw/zinc/22/06/45/506220645.db2.gz UTCAPFXXTXYLRB-SFHVURJKSA-N 1 2 364.367 3.492 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611577346 506220647 /nfs/dbraw/zinc/22/06/47/506220647.db2.gz UTCAPFXXTXYLRB-SFHVURJKSA-N 1 2 364.367 3.492 20 30 FGEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC000434790769 500895535 /nfs/dbraw/zinc/89/55/35/500895535.db2.gz YLTQECGCPMNBKQ-PSCUFVCCSA-N 1 2 369.509 3.373 20 30 FGEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769025 500895523 /nfs/dbraw/zinc/89/55/23/500895523.db2.gz HASYNXXWFKQWAR-OAHLLOKOSA-N 1 2 374.916 3.171 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC000434790769 500895538 /nfs/dbraw/zinc/89/55/38/500895538.db2.gz YLTQECGCPMNBKQ-PSCUFVCCSA-N 1 2 369.509 3.373 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435603226 501000629 /nfs/dbraw/zinc/00/06/29/501000629.db2.gz ZHSFNPMIAHKFHS-YJBOKZPZSA-N 1 2 354.410 3.175 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000440627150 501031196 /nfs/dbraw/zinc/03/11/96/501031196.db2.gz SDRGITXOQWBSSL-VXKWHMMOSA-N 1 2 374.488 3.064 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927873 501047405 /nfs/dbraw/zinc/04/74/05/501047405.db2.gz NVFNRFIEBWUQEQ-APWZRJJASA-N 1 2 371.431 3.456 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927878 501047695 /nfs/dbraw/zinc/04/76/95/501047695.db2.gz NVFNRFIEBWUQEQ-VQIMIIECSA-N 1 2 371.431 3.456 20 30 FGEDLO C=CC[C@H]1N(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCC1(C)C ZINC000436104490 501071342 /nfs/dbraw/zinc/07/13/42/501071342.db2.gz OGCINZAZCXPSPV-GOSISDBHSA-N 1 2 372.513 3.195 20 30 FGEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441291782 501115153 /nfs/dbraw/zinc/11/51/53/501115153.db2.gz SAURTVNSJYCVEL-MRXNPFEDSA-N 1 2 365.518 3.113 20 30 FGEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441291782 501115158 /nfs/dbraw/zinc/11/51/58/501115158.db2.gz SAURTVNSJYCVEL-MRXNPFEDSA-N 1 2 365.518 3.113 20 30 FGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 ZINC000441313838 501118890 /nfs/dbraw/zinc/11/88/90/501118890.db2.gz VIKZLBHTQQIRGJ-CYBMUJFWSA-N 1 2 350.484 3.466 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000449968995 501140140 /nfs/dbraw/zinc/14/01/40/501140140.db2.gz ZWFJSVZHKOUKOU-CQSZACIVSA-N 1 2 356.857 3.367 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000441618976 501158340 /nfs/dbraw/zinc/15/83/40/501158340.db2.gz HSQKMLHNICPOAX-RTWAWAEBSA-N 1 2 353.462 3.228 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000441618976 501158342 /nfs/dbraw/zinc/15/83/42/501158342.db2.gz HSQKMLHNICPOAX-RTWAWAEBSA-N 1 2 353.462 3.228 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000596070462 506239534 /nfs/dbraw/zinc/23/95/34/506239534.db2.gz DKEXJAWXIWHVCV-CQSZACIVSA-N 1 2 355.873 3.447 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)ncc1C#N ZINC000457630624 501272377 /nfs/dbraw/zinc/27/23/77/501272377.db2.gz WWXHXTXNNSMUHZ-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cnc(C#N)c(Cl)c2)c[nH+]1 ZINC000455747649 501377960 /nfs/dbraw/zinc/37/79/60/501377960.db2.gz CMEUWJZJERGCCY-UHFFFAOYSA-N 1 2 358.833 3.170 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000455783033 501385258 /nfs/dbraw/zinc/38/52/58/501385258.db2.gz YUYPUSWZMQQPLE-OAHLLOKOSA-N 1 2 353.426 3.069 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611671297 506250964 /nfs/dbraw/zinc/25/09/64/506250964.db2.gz VGHNQQLGHNSQFQ-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611671297 506250972 /nfs/dbraw/zinc/25/09/72/506250972.db2.gz VGHNQQLGHNSQFQ-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000456037615 501442526 /nfs/dbraw/zinc/44/25/26/501442526.db2.gz OWLFIAZJHAGIQS-UHFFFAOYSA-N 1 2 362.477 3.179 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c(Br)c1 ZINC000611681830 506255576 /nfs/dbraw/zinc/25/55/76/506255576.db2.gz FBHOJHJUPAOWFE-HNNXBMFYSA-N 1 2 367.193 3.422 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458794817 501533272 /nfs/dbraw/zinc/53/32/72/501533272.db2.gz BPIIPGFHRHZLBQ-ZWKOTPCHSA-N 1 2 351.454 3.354 20 30 FGEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ncc1C#N ZINC000457438467 501698208 /nfs/dbraw/zinc/69/82/08/501698208.db2.gz RJRWOYSCMJXPCH-UHFFFAOYSA-N 1 2 368.868 3.263 20 30 FGEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ncc1C#N ZINC000457438467 501698211 /nfs/dbraw/zinc/69/82/11/501698211.db2.gz RJRWOYSCMJXPCH-UHFFFAOYSA-N 1 2 368.868 3.263 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000457530563 501717448 /nfs/dbraw/zinc/71/74/48/501717448.db2.gz QIKXSRQQHCCANT-NSISKUIASA-N 1 2 360.473 3.402 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000463512905 501747137 /nfs/dbraw/zinc/74/71/37/501747137.db2.gz BSJGPYCMOBSOMA-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC ZINC000602735353 506278847 /nfs/dbraw/zinc/27/88/47/506278847.db2.gz VSRYFMLQUMCNRS-IUODEOHRSA-N 1 2 368.861 3.163 20 30 FGEDLO COc1ncccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027638 501896751 /nfs/dbraw/zinc/89/67/51/501896751.db2.gz HSJVLGKVGURAOY-GOSISDBHSA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485806094 501945528 /nfs/dbraw/zinc/94/55/28/501945528.db2.gz OAEJXWYEGCXWAC-FXAWDEMLSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485806094 501945532 /nfs/dbraw/zinc/94/55/32/501945532.db2.gz OAEJXWYEGCXWAC-FXAWDEMLSA-N 1 2 355.482 3.049 20 30 FGEDLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cc(C#N)n(C)c2)c1 ZINC000478563738 502019626 /nfs/dbraw/zinc/01/96/26/502019626.db2.gz WFPFDCXADIYXCM-UHFFFAOYSA-N 1 2 371.444 3.337 20 30 FGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000461188152 502032587 /nfs/dbraw/zinc/03/25/87/502032587.db2.gz FWDOYHUNSYZHGV-UHFFFAOYSA-N 1 2 362.364 3.342 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000475350220 502143913 /nfs/dbraw/zinc/14/39/13/502143913.db2.gz CKSQURKRAPLULN-GOSISDBHSA-N 1 2 369.852 3.451 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)no1 ZINC000461953499 502251181 /nfs/dbraw/zinc/25/11/81/502251181.db2.gz DHQGBHAFTRUPTJ-OAHLLOKOSA-N 1 2 374.876 3.097 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)no1 ZINC000461953499 502251184 /nfs/dbraw/zinc/25/11/84/502251184.db2.gz DHQGBHAFTRUPTJ-OAHLLOKOSA-N 1 2 374.876 3.097 20 30 FGEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486787652 502261287 /nfs/dbraw/zinc/26/12/87/502261287.db2.gz MBJORJBOXOMRED-UHFFFAOYSA-N 1 2 351.288 3.496 20 30 FGEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486787652 502261289 /nfs/dbraw/zinc/26/12/89/502261289.db2.gz MBJORJBOXOMRED-UHFFFAOYSA-N 1 2 351.288 3.496 20 30 FGEDLO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000469071021 502285615 /nfs/dbraw/zinc/28/56/15/502285615.db2.gz RFVUHXMMBGOLJF-UHFFFAOYSA-N 1 2 370.372 3.355 20 30 FGEDLO C[N@H+](CCOc1ccccc1C(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000483331948 502352610 /nfs/dbraw/zinc/35/26/10/502352610.db2.gz ABYJFNFGJYTUAY-FQEVSTJZSA-N 1 2 365.477 3.393 20 30 FGEDLO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000483331948 502352614 /nfs/dbraw/zinc/35/26/14/502352614.db2.gz ABYJFNFGJYTUAY-FQEVSTJZSA-N 1 2 365.477 3.393 20 30 FGEDLO CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000487270698 502406333 /nfs/dbraw/zinc/40/63/33/502406333.db2.gz QRYZRQPVCLCKMZ-VAMGGRTRSA-N 1 2 357.498 3.427 20 30 FGEDLO CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC000487270698 502406335 /nfs/dbraw/zinc/40/63/35/502406335.db2.gz QRYZRQPVCLCKMZ-VAMGGRTRSA-N 1 2 357.498 3.427 20 30 FGEDLO N#Cc1c(C#N)c2c(nc1NCCc1[nH]c3ccccc3[nH+]1)CCCCCC2 ZINC000479910133 502416909 /nfs/dbraw/zinc/41/69/09/502416909.db2.gz LBKPWOOTZLPPKY-UHFFFAOYSA-N 1 2 370.460 3.437 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000472830858 502452039 /nfs/dbraw/zinc/45/20/39/502452039.db2.gz LFBBJEJHQJESLJ-UHFFFAOYSA-N 1 2 374.444 3.416 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C#N)c(C)n3)[nH+]c12 ZINC000487730401 502515997 /nfs/dbraw/zinc/51/59/97/502515997.db2.gz NLOSVOUJMOWQIE-UHFFFAOYSA-N 1 2 370.254 3.057 20 30 FGEDLO CCn1nc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c2ccccc21 ZINC000473138288 502525312 /nfs/dbraw/zinc/52/53/12/502525312.db2.gz LGMNJGSEOPRHMA-QFIPXVFZSA-N 1 2 359.477 3.439 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148287 502529568 /nfs/dbraw/zinc/52/95/68/502529568.db2.gz AHECWTVNIGJPCV-JLTOFOAXSA-N 1 2 361.436 3.497 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148287 502529574 /nfs/dbraw/zinc/52/95/74/502529574.db2.gz AHECWTVNIGJPCV-JLTOFOAXSA-N 1 2 361.436 3.497 20 30 FGEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480496796 502582721 /nfs/dbraw/zinc/58/27/21/502582721.db2.gz FNSBQWQSDYHFOU-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480496796 502582724 /nfs/dbraw/zinc/58/27/24/502582724.db2.gz FNSBQWQSDYHFOU-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000484155694 502588157 /nfs/dbraw/zinc/58/81/57/502588157.db2.gz FDXOGUGXCIMFJR-UHFFFAOYSA-N 1 2 368.437 3.016 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000488089786 502623223 /nfs/dbraw/zinc/62/32/23/502623223.db2.gz JXWOMZFPDFUGKE-GOSISDBHSA-N 1 2 366.509 3.352 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463045052 502673640 /nfs/dbraw/zinc/67/36/40/502673640.db2.gz UIQHHJXRDLJTLF-JKSUJKDBSA-N 1 2 369.490 3.292 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602856759 506329284 /nfs/dbraw/zinc/32/92/84/506329284.db2.gz RAPFDNJTWHPTBW-MRXNPFEDSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3cccnc3)C2)c(C#N)c1C ZINC000602856759 506329291 /nfs/dbraw/zinc/32/92/91/506329291.db2.gz RAPFDNJTWHPTBW-MRXNPFEDSA-N 1 2 354.479 3.450 20 30 FGEDLO CCN(C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602856628 506329567 /nfs/dbraw/zinc/32/95/67/506329567.db2.gz LSHFYUMPTDGJGL-HDICACEKSA-N 1 2 364.493 3.111 20 30 FGEDLO CCN(C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602856628 506329572 /nfs/dbraw/zinc/32/95/72/506329572.db2.gz LSHFYUMPTDGJGL-HDICACEKSA-N 1 2 364.493 3.111 20 30 FGEDLO CCN(C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)c1cccc2ccccc21 ZINC000602856638 506330094 /nfs/dbraw/zinc/33/00/94/506330094.db2.gz LSHFYUMPTDGJGL-ROUUACIJSA-N 1 2 364.493 3.111 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000473881244 502736369 /nfs/dbraw/zinc/73/63/69/502736369.db2.gz ZJQWRIZCIZASNH-UHFFFAOYSA-N 1 2 370.456 3.493 20 30 FGEDLO C=C(C)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000488570375 502753532 /nfs/dbraw/zinc/75/35/32/502753532.db2.gz UYNFQCJGDMPYTF-KRWDZBQOSA-N 1 2 365.905 3.367 20 30 FGEDLO C=C(C)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000488570375 502753534 /nfs/dbraw/zinc/75/35/34/502753534.db2.gz UYNFQCJGDMPYTF-KRWDZBQOSA-N 1 2 365.905 3.367 20 30 FGEDLO N#Cc1c(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cn2ccccc12 ZINC000488988373 502855404 /nfs/dbraw/zinc/85/54/04/502855404.db2.gz WGQAUBYDWSFYDB-INIZCTEOSA-N 1 2 350.397 3.388 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cn2ccccc12 ZINC000488988373 502855409 /nfs/dbraw/zinc/85/54/09/502855409.db2.gz WGQAUBYDWSFYDB-INIZCTEOSA-N 1 2 350.397 3.388 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cncc1F ZINC000513235500 502886370 /nfs/dbraw/zinc/88/63/70/502886370.db2.gz BTMGJKHUVOWULG-VIFPVBQESA-N 1 2 350.756 3.174 20 30 FGEDLO CCOC(=O)c1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602895491 506341979 /nfs/dbraw/zinc/34/19/79/506341979.db2.gz OZPOKNGZLAHDAV-UHFFFAOYSA-N 1 2 370.478 3.268 20 30 FGEDLO COCC1(C#N)CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000501318232 502983724 /nfs/dbraw/zinc/98/37/24/502983724.db2.gz JVLHTLZKPDIGPG-UHFFFAOYSA-N 1 2 351.406 3.266 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602910293 506347864 /nfs/dbraw/zinc/34/78/64/506347864.db2.gz PUEZNQIMAGNPCG-OAHLLOKOSA-N 1 2 369.469 3.449 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(F)cc3F)CC2)cc1 ZINC000501828153 503088710 /nfs/dbraw/zinc/08/87/10/503088710.db2.gz IVHQYBIQXVZJTD-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510359781 503099268 /nfs/dbraw/zinc/09/92/68/503099268.db2.gz FIDSLBKMPRINML-SFHVURJKSA-N 1 2 370.501 3.437 20 30 FGEDLO COc1ccc(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)nc1 ZINC000593036493 506352054 /nfs/dbraw/zinc/35/20/54/506352054.db2.gz HNVAJIXBXKCTDQ-UHFFFAOYSA-N 1 2 352.394 3.250 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000514525101 503133545 /nfs/dbraw/zinc/13/35/45/503133545.db2.gz SQYLHMYRUZAMOT-OAHLLOKOSA-N 1 2 367.946 3.108 20 30 FGEDLO CC(C)(C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cc(F)cc(C#N)c1 ZINC000510816735 503197935 /nfs/dbraw/zinc/19/79/35/503197935.db2.gz VHZNLILOENMUAZ-UHFFFAOYSA-N 1 2 368.334 3.050 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510922131 503218459 /nfs/dbraw/zinc/21/84/59/503218459.db2.gz RXNFSFXORCJIMO-LLVKDONJSA-N 1 2 354.223 3.104 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000498581791 503219515 /nfs/dbraw/zinc/21/95/15/503219515.db2.gz BBUWHYJTYAOKLE-UHFFFAOYSA-N 1 2 365.452 3.319 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1C ZINC000507279796 503267510 /nfs/dbraw/zinc/26/75/10/503267510.db2.gz CGEMGKALHFSIJS-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO CC[C@](C)(C#N)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000511176970 503274525 /nfs/dbraw/zinc/27/45/25/503274525.db2.gz ZQZVWVXABUSVLS-LJQANCHMSA-N 1 2 350.426 3.201 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507674805 503344506 /nfs/dbraw/zinc/34/45/06/503344506.db2.gz VFIVQGABXXVUIS-OALUTQOASA-N 1 2 373.541 3.187 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507674807 503344746 /nfs/dbraw/zinc/34/47/46/503344746.db2.gz VFIVQGABXXVUIS-RBUKOAKNSA-N 1 2 373.541 3.187 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000492789874 503385094 /nfs/dbraw/zinc/38/50/94/503385094.db2.gz NRYBRFXUBQKKNF-OLZOCXBDSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000492789874 503385100 /nfs/dbraw/zinc/38/51/00/503385100.db2.gz NRYBRFXUBQKKNF-OLZOCXBDSA-N 1 2 363.177 3.208 20 30 FGEDLO C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492937090 503395267 /nfs/dbraw/zinc/39/52/67/503395267.db2.gz PTGZQWQRBOANNL-GOSISDBHSA-N 1 2 360.417 3.327 20 30 FGEDLO C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492937090 503395270 /nfs/dbraw/zinc/39/52/70/503395270.db2.gz PTGZQWQRBOANNL-GOSISDBHSA-N 1 2 360.417 3.327 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493106064 503406913 /nfs/dbraw/zinc/40/69/13/503406913.db2.gz SHXHTZBZJZTUAM-DNVCBOLYSA-N 1 2 360.417 3.297 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508291057 503469848 /nfs/dbraw/zinc/46/98/48/503469848.db2.gz ZDNUIKVZYJDCPV-ROUUACIJSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508291057 503469852 /nfs/dbraw/zinc/46/98/52/503469852.db2.gz ZDNUIKVZYJDCPV-ROUUACIJSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2Cl)C1=O ZINC000499734855 503470347 /nfs/dbraw/zinc/47/03/47/503470347.db2.gz SDIIJERSRDXDDU-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2Cl)C1=O ZINC000499734855 503470352 /nfs/dbraw/zinc/47/03/52/503470352.db2.gz SDIIJERSRDXDDU-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000512194018 503482271 /nfs/dbraw/zinc/48/22/71/503482271.db2.gz JUHNCBAWCOZSOA-WOCWXWTJSA-N 1 2 362.514 3.479 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000512194018 503482275 /nfs/dbraw/zinc/48/22/75/503482275.db2.gz JUHNCBAWCOZSOA-WOCWXWTJSA-N 1 2 362.514 3.479 20 30 FGEDLO CS(=O)(=O)c1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)co2)cc1 ZINC000516283724 503488517 /nfs/dbraw/zinc/48/85/17/503488517.db2.gz GBFBBECDUZDPBP-UHFFFAOYSA-N 1 2 373.478 3.261 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1OC ZINC000512237484 503494515 /nfs/dbraw/zinc/49/45/15/503494515.db2.gz RSFVDVSTJKZZHI-UHFFFAOYSA-N 1 2 369.440 3.427 20 30 FGEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(F)F ZINC000494286399 503519968 /nfs/dbraw/zinc/51/99/68/503519968.db2.gz ZMTNQOCXKBWFGW-LLVKDONJSA-N 1 2 353.438 3.414 20 30 FGEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(F)F ZINC000494286399 503519970 /nfs/dbraw/zinc/51/99/70/503519970.db2.gz ZMTNQOCXKBWFGW-LLVKDONJSA-N 1 2 353.438 3.414 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000512433796 503550214 /nfs/dbraw/zinc/55/02/14/503550214.db2.gz PGMVMLBJCXDYTD-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000512433796 503550219 /nfs/dbraw/zinc/55/02/19/503550219.db2.gz PGMVMLBJCXDYTD-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000512449939 503555721 /nfs/dbraw/zinc/55/57/21/503555721.db2.gz MRSDQGKTECOVDF-FQEVSTJZSA-N 1 2 354.450 3.170 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000512449939 503555724 /nfs/dbraw/zinc/55/57/24/503555724.db2.gz MRSDQGKTECOVDF-FQEVSTJZSA-N 1 2 354.450 3.170 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000516692492 503570826 /nfs/dbraw/zinc/57/08/26/503570826.db2.gz SHKVPIAXBBISQC-DOTOQJQBSA-N 1 2 354.372 3.347 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000516692492 503570828 /nfs/dbraw/zinc/57/08/28/503570828.db2.gz SHKVPIAXBBISQC-DOTOQJQBSA-N 1 2 354.372 3.347 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495082135 503663216 /nfs/dbraw/zinc/66/32/16/503663216.db2.gz VOVMBCMYMIPEFM-IWQZZHSRSA-N 1 2 361.405 3.037 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4c(Cl)cccc4C3)C2=O)cc1 ZINC000532966682 503678716 /nfs/dbraw/zinc/67/87/16/503678716.db2.gz KMRROJKAMSYZGH-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4c(Cl)cccc4C3)C2=O)cc1 ZINC000532966682 503678722 /nfs/dbraw/zinc/67/87/22/503678722.db2.gz KMRROJKAMSYZGH-LJQANCHMSA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)n1 ZINC000546259669 503690082 /nfs/dbraw/zinc/69/00/82/503690082.db2.gz ANIVZTQQIPXBDZ-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO COCc1ccc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1C#N ZINC000529815378 503714283 /nfs/dbraw/zinc/71/42/83/503714283.db2.gz YBQXRTYGVBTOHX-CQSZACIVSA-N 1 2 366.343 3.113 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c(F)c1 ZINC000533401299 503831543 /nfs/dbraw/zinc/83/15/43/503831543.db2.gz DDAHDEYBRHSFAB-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517937616 503871162 /nfs/dbraw/zinc/87/11/62/503871162.db2.gz ZPUINAUCKIMGTO-LJQANCHMSA-N 1 2 371.448 3.308 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517937616 503871168 /nfs/dbraw/zinc/87/11/68/503871168.db2.gz ZPUINAUCKIMGTO-LJQANCHMSA-N 1 2 371.448 3.308 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cc2)ccn1 ZINC000518015977 503889725 /nfs/dbraw/zinc/88/97/25/503889725.db2.gz WKWBMPOTLSJHGX-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cc2)ccn1 ZINC000518015977 503889730 /nfs/dbraw/zinc/88/97/30/503889730.db2.gz WKWBMPOTLSJHGX-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C)(C#N)CC1)n2CC ZINC000518250166 503936018 /nfs/dbraw/zinc/93/60/18/503936018.db2.gz SNOWSPGWRJKQNO-UHFFFAOYSA-N 1 2 354.454 3.359 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)n1 ZINC000546965418 503939880 /nfs/dbraw/zinc/93/98/80/503939880.db2.gz HENVPIFKTKNJJQ-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000530751314 504074027 /nfs/dbraw/zinc/07/40/27/504074027.db2.gz VBJZKXSSVTYJQP-OALUTQOASA-N 1 2 359.433 3.316 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c(F)c1 ZINC000534349711 504118724 /nfs/dbraw/zinc/11/87/24/504118724.db2.gz DRIDDTSANYEJDM-SFHVURJKSA-N 1 2 372.469 3.328 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C#N ZINC000534472170 504150413 /nfs/dbraw/zinc/15/04/13/504150413.db2.gz KVJVXEVHBPEOLL-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C#N ZINC000534472170 504150416 /nfs/dbraw/zinc/15/04/16/504150416.db2.gz KVJVXEVHBPEOLL-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000538219427 504166628 /nfs/dbraw/zinc/16/66/28/504166628.db2.gz FPLBBYYXCVBNEL-LPHOPBHVSA-N 1 2 373.403 3.100 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000538219427 504166631 /nfs/dbraw/zinc/16/66/31/504166631.db2.gz FPLBBYYXCVBNEL-LPHOPBHVSA-N 1 2 373.403 3.100 20 30 FGEDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000541549308 504173183 /nfs/dbraw/zinc/17/31/83/504173183.db2.gz QQFAAKYFSJWJCK-UHFFFAOYSA-N 1 2 362.458 3.415 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000538253230 504177836 /nfs/dbraw/zinc/17/78/36/504177836.db2.gz QUVCFXYKXOPUBG-UHFFFAOYSA-N 1 2 371.506 3.228 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528364601 504188476 /nfs/dbraw/zinc/18/84/76/504188476.db2.gz IXQDUDGXFIIEFU-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000531147499 504207131 /nfs/dbraw/zinc/20/71/31/504207131.db2.gz MPDAFLHFYZVTNA-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547996059 504286954 /nfs/dbraw/zinc/28/69/54/504286954.db2.gz KGTRBTCYUANIBK-KGLIPLIRSA-N 1 2 355.467 3.271 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547996058 504287101 /nfs/dbraw/zinc/28/71/01/504287101.db2.gz KGTRBTCYUANIBK-KBPBESRZSA-N 1 2 355.467 3.271 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H](C)C#N ZINC000541950863 504312668 /nfs/dbraw/zinc/31/26/68/504312668.db2.gz RJGTZVWATHRGON-KRWDZBQOSA-N 1 2 369.469 3.043 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000538718738 504341707 /nfs/dbraw/zinc/34/17/07/504341707.db2.gz KFQPDSSCPSNUQU-SFHVURJKSA-N 1 2 351.406 3.079 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000538718738 504341710 /nfs/dbraw/zinc/34/17/10/504341710.db2.gz KFQPDSSCPSNUQU-SFHVURJKSA-N 1 2 351.406 3.079 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccccc4)no3)CCOCC2)cc1 ZINC000528783662 504377698 /nfs/dbraw/zinc/37/76/98/504377698.db2.gz PLJQSRQJBOEIGQ-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)c1 ZINC000539198200 504496354 /nfs/dbraw/zinc/49/63/54/504496354.db2.gz FOSPIUCYJMYMQS-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545503901 504509090 /nfs/dbraw/zinc/50/90/90/504509090.db2.gz JNXNRMFAIWLJDH-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000529094936 504532965 /nfs/dbraw/zinc/53/29/65/504532965.db2.gz SEICXBMNYXLIPC-UHFFFAOYSA-N 1 2 350.422 3.398 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542817301 504623128 /nfs/dbraw/zinc/62/31/28/504623128.db2.gz BHEAYNOAHBODBH-HZPDHXFCSA-N 1 2 371.909 3.443 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542817301 504623129 /nfs/dbraw/zinc/62/31/29/504623129.db2.gz BHEAYNOAHBODBH-HZPDHXFCSA-N 1 2 371.909 3.443 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000532575535 504698267 /nfs/dbraw/zinc/69/82/67/504698267.db2.gz NINZHHDAEZIJGB-HXUWFJFHSA-N 1 2 355.482 3.146 20 30 FGEDLO C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCSCC1 ZINC000532762322 504753555 /nfs/dbraw/zinc/75/35/55/504753555.db2.gz XGIBFZAHEIDLSU-ZWNOBZJWSA-N 1 2 358.294 3.112 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000536631041 504771663 /nfs/dbraw/zinc/77/16/63/504771663.db2.gz WOWAKGKTBCYHGT-UHFFFAOYSA-N 1 2 371.488 3.121 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nc1 ZINC000565092596 504791786 /nfs/dbraw/zinc/79/17/86/504791786.db2.gz VJCBPJIEGNPAAA-LJQANCHMSA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C2 ZINC000559393220 504853350 /nfs/dbraw/zinc/85/33/50/504853350.db2.gz HWHXUIBQBUSIMM-UHFFFAOYSA-N 1 2 368.502 3.477 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C2 ZINC000559393220 504853353 /nfs/dbraw/zinc/85/33/53/504853353.db2.gz HWHXUIBQBUSIMM-UHFFFAOYSA-N 1 2 368.502 3.477 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000565333144 504856458 /nfs/dbraw/zinc/85/64/58/504856458.db2.gz WJXPVHWYFHIDPU-AWEZNQCLSA-N 1 2 352.772 3.457 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000565333144 504856460 /nfs/dbraw/zinc/85/64/60/504856460.db2.gz WJXPVHWYFHIDPU-AWEZNQCLSA-N 1 2 352.772 3.457 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)on2)c1 ZINC000553295079 504875478 /nfs/dbraw/zinc/87/54/78/504875478.db2.gz GVPXNKIEYVPLHP-UHFFFAOYSA-N 1 2 370.372 3.105 20 30 FGEDLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565484573 504901559 /nfs/dbraw/zinc/90/15/59/504901559.db2.gz VSMMBFLCGRSICY-KRWDZBQOSA-N 1 2 362.886 3.346 20 30 FGEDLO COC(=O)c1ccc(OC(C)C)c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000556600943 504916422 /nfs/dbraw/zinc/91/64/22/504916422.db2.gz MAEVJEVUKPOZLR-UHFFFAOYSA-N 1 2 364.405 3.392 20 30 FGEDLO CN(C)c1nc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]c2ccccc21 ZINC000565697734 504961497 /nfs/dbraw/zinc/96/14/97/504961497.db2.gz LIZZZECRKQTFFO-UHFFFAOYSA-N 1 2 358.449 3.153 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000565707029 504965159 /nfs/dbraw/zinc/96/51/59/504965159.db2.gz GRHJFXFSXYULSK-APWZRJJASA-N 1 2 363.465 3.046 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000565707029 504965163 /nfs/dbraw/zinc/96/51/63/504965163.db2.gz GRHJFXFSXYULSK-APWZRJJASA-N 1 2 363.465 3.046 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000550306344 505017292 /nfs/dbraw/zinc/01/72/92/505017292.db2.gz XDERGMOJRAQLRX-OCCSQVGLSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000550306344 505017293 /nfs/dbraw/zinc/01/72/93/505017293.db2.gz XDERGMOJRAQLRX-OCCSQVGLSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ncc(C#N)cc2C)c(C)c1 ZINC000560330828 505047645 /nfs/dbraw/zinc/04/76/45/505047645.db2.gz DDUFTHXFMBZHKV-IBGZPJMESA-N 1 2 359.433 3.246 20 30 FGEDLO Cc1cc2c(o1)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2Br ZINC000563220264 505079494 /nfs/dbraw/zinc/07/94/94/505079494.db2.gz JNIZECNLGGDYQS-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO Cc1ccc(-c2nnc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)o2)cc1 ZINC000554564558 505207860 /nfs/dbraw/zinc/20/78/60/505207860.db2.gz FWJNLCBYOTVNDV-UHFFFAOYSA-N 1 2 359.433 3.497 20 30 FGEDLO COC(=O)c1ccc(CNc2cc(CC#N)cc[nH+]2)c(Br)c1 ZINC000551433395 505226109 /nfs/dbraw/zinc/22/61/09/505226109.db2.gz ABMIGIAELWJLHA-UHFFFAOYSA-N 1 2 360.211 3.309 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000561211353 505282391 /nfs/dbraw/zinc/28/23/91/505282391.db2.gz URUOAXGEGCATRW-HNNXBMFYSA-N 1 2 371.481 3.328 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000561211353 505282392 /nfs/dbraw/zinc/28/23/92/505282392.db2.gz URUOAXGEGCATRW-HNNXBMFYSA-N 1 2 371.481 3.328 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000554985042 505320399 /nfs/dbraw/zinc/32/03/99/505320399.db2.gz FHXVAAZXLHEFPM-UHFFFAOYSA-N 1 2 351.366 3.463 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000561350574 505322639 /nfs/dbraw/zinc/32/26/39/505322639.db2.gz XSMGWKUHUKPUOS-CEXWTWQISA-N 1 2 363.465 3.353 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000552029993 505375153 /nfs/dbraw/zinc/37/51/53/505375153.db2.gz BVEJNXOFZKKUKR-GOSISDBHSA-N 1 2 365.433 3.049 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000552029993 505375156 /nfs/dbraw/zinc/37/51/56/505375156.db2.gz BVEJNXOFZKKUKR-GOSISDBHSA-N 1 2 365.433 3.049 20 30 FGEDLO COc1cc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)ccc1C#N ZINC000558504269 505410417 /nfs/dbraw/zinc/41/04/17/505410417.db2.gz CSICGUFGYPFMOT-CYBMUJFWSA-N 1 2 365.412 3.446 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000552270748 505446364 /nfs/dbraw/zinc/44/63/64/505446364.db2.gz BEBKOLZILSFKDF-QZTJIDSGSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000552270748 505446367 /nfs/dbraw/zinc/44/63/67/505446367.db2.gz BEBKOLZILSFKDF-QZTJIDSGSA-N 1 2 357.454 3.073 20 30 FGEDLO N#Cc1ccccc1OCC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000552368131 505474224 /nfs/dbraw/zinc/47/42/24/505474224.db2.gz LEBGYSKQCKJYSN-UHFFFAOYSA-N 1 2 374.444 3.295 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NCC4(C#N)CC4)cc3)cn2c1 ZINC000555862804 505528733 /nfs/dbraw/zinc/52/87/33/505528733.db2.gz RLCSYZCOUOZZFM-UHFFFAOYSA-N 1 2 360.417 3.255 20 30 FGEDLO N#Cc1c2c(cnc1N1CCc3c([nH+]cn3CCc3ccccc3)C1)CCC2 ZINC000567719054 505548527 /nfs/dbraw/zinc/54/85/27/505548527.db2.gz UTNKMBQIVRJMDA-UHFFFAOYSA-N 1 2 369.472 3.444 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N ZINC000599380144 506435068 /nfs/dbraw/zinc/43/50/68/506435068.db2.gz BWSIPYCOPUPEHH-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c(Cl)c1 ZINC000599396000 506441360 /nfs/dbraw/zinc/44/13/60/506441360.db2.gz NMKVAJASPPDZMC-FQEVSTJZSA-N 1 2 356.853 3.365 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c(Cl)c1 ZINC000599396000 506441362 /nfs/dbraw/zinc/44/13/62/506441362.db2.gz NMKVAJASPPDZMC-FQEVSTJZSA-N 1 2 356.853 3.365 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597298 506521307 /nfs/dbraw/zinc/52/13/07/506521307.db2.gz RWOATWNVWNUFQA-BFYDXBDKSA-N 1 2 371.481 3.185 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597298 506521311 /nfs/dbraw/zinc/52/13/11/506521311.db2.gz RWOATWNVWNUFQA-BFYDXBDKSA-N 1 2 371.481 3.185 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589433362 506545932 /nfs/dbraw/zinc/54/59/32/506545932.db2.gz GPAWQNWARCEXNP-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C2 ZINC000599678667 506575110 /nfs/dbraw/zinc/57/51/10/506575110.db2.gz XMBLRYUUPFNDDP-HSZRJFAPSA-N 1 2 359.473 3.378 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C2 ZINC000599678667 506575116 /nfs/dbraw/zinc/57/51/16/506575116.db2.gz XMBLRYUUPFNDDP-HSZRJFAPSA-N 1 2 359.473 3.378 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000593387281 506593155 /nfs/dbraw/zinc/59/31/55/506593155.db2.gz WYNLJPLUWUYPKT-IAGOWNOFSA-N 1 2 362.424 3.093 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000593387281 506593159 /nfs/dbraw/zinc/59/31/59/506593159.db2.gz WYNLJPLUWUYPKT-IAGOWNOFSA-N 1 2 362.424 3.093 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H](C#N)CC ZINC000593450172 506626008 /nfs/dbraw/zinc/62/60/08/506626008.db2.gz GIJPDPFVNQRBDD-KRWDZBQOSA-N 1 2 354.454 3.250 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000603904239 506654148 /nfs/dbraw/zinc/65/41/48/506654148.db2.gz RPDMEHROTSLBBZ-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000603904239 506654153 /nfs/dbraw/zinc/65/41/53/506654153.db2.gz RPDMEHROTSLBBZ-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000593559923 506683201 /nfs/dbraw/zinc/68/32/01/506683201.db2.gz LLQXCLVZKLHWKJ-INIZCTEOSA-N 1 2 358.467 3.127 20 30 FGEDLO N#Cc1ccc(CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C2CC2)cc1 ZINC000609000532 506760874 /nfs/dbraw/zinc/76/08/74/506760874.db2.gz USZPVEKJZQGZLU-UHFFFAOYSA-N 1 2 360.461 3.248 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000609113234 506778554 /nfs/dbraw/zinc/77/85/54/506778554.db2.gz WCGUJJSYWVMJRN-NRFANRHFSA-N 1 2 371.444 3.029 20 30 FGEDLO CCCn1nccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000597115321 506782506 /nfs/dbraw/zinc/78/25/06/506782506.db2.gz IQPRQZNWGKZYTA-IBGZPJMESA-N 1 2 357.889 3.329 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000604505848 506854339 /nfs/dbraw/zinc/85/43/39/506854339.db2.gz GBRMRDQQTSPLMJ-UHFFFAOYSA-N 1 2 353.470 3.403 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000593969500 506857439 /nfs/dbraw/zinc/85/74/39/506857439.db2.gz BAUVQUZOAOCMRV-ZDUSSCGKSA-N 1 2 364.371 3.154 20 30 FGEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000609416928 506877505 /nfs/dbraw/zinc/87/75/05/506877505.db2.gz IDHYQLPZJWLHPM-YJBOKZPZSA-N 1 2 374.916 3.029 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057716 506911666 /nfs/dbraw/zinc/91/16/66/506911666.db2.gz LWTDJQCVIJIVEJ-APWZRJJASA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057716 506911675 /nfs/dbraw/zinc/91/16/75/506911675.db2.gz LWTDJQCVIJIVEJ-APWZRJJASA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059603 506913451 /nfs/dbraw/zinc/91/34/51/506913451.db2.gz XFZBGHCFYBDIJX-HOCLYGCPSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059603 506913456 /nfs/dbraw/zinc/91/34/56/506913456.db2.gz XFZBGHCFYBDIJX-HOCLYGCPSA-N 1 2 359.495 3.149 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000609624850 506950561 /nfs/dbraw/zinc/95/05/61/506950561.db2.gz GWYGYIKERGLOSJ-UHFFFAOYSA-N 1 2 358.401 3.031 20 30 FGEDLO C[C@@](C#N)(NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000609640978 506958769 /nfs/dbraw/zinc/95/87/69/506958769.db2.gz UPFIDUOOCGHFNU-NRFANRHFSA-N 1 2 355.482 3.111 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1cccc(C#N)c1 ZINC000597545178 507002725 /nfs/dbraw/zinc/00/27/25/507002725.db2.gz OBBHUANCOSJZIJ-OAHLLOKOSA-N 1 2 374.448 3.163 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000597545178 507002727 /nfs/dbraw/zinc/00/27/27/507002727.db2.gz OBBHUANCOSJZIJ-OAHLLOKOSA-N 1 2 374.448 3.163 20 30 FGEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000609873478 507032003 /nfs/dbraw/zinc/03/20/03/507032003.db2.gz YPYZERGQQAPVPK-UHFFFAOYSA-N 1 2 365.452 3.319 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)CC3(C#N)CCOCC3)ccc2n1C1CC1 ZINC000597631290 507037956 /nfs/dbraw/zinc/03/79/56/507037956.db2.gz ITLSCFKGYHGIED-UHFFFAOYSA-N 1 2 366.465 3.260 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000594336989 507082751 /nfs/dbraw/zinc/08/27/51/507082751.db2.gz BNQPMAWYMVCNJG-MAUKXSAKSA-N 1 2 353.388 3.439 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000594336989 507082755 /nfs/dbraw/zinc/08/27/55/507082755.db2.gz BNQPMAWYMVCNJG-MAUKXSAKSA-N 1 2 353.388 3.439 20 30 FGEDLO CC[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000610139033 507114770 /nfs/dbraw/zinc/11/47/70/507114770.db2.gz DWBOKNXPGHZIDI-XLIONFOSSA-N 1 2 354.498 3.354 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000610245985 507157798 /nfs/dbraw/zinc/15/77/98/507157798.db2.gz HVESRRCKPBEBEZ-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601457316 507366366 /nfs/dbraw/zinc/36/63/66/507366366.db2.gz PRZGPEVGOMAHKS-UHFFFAOYSA-N 1 2 374.510 3.087 20 30 FGEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000610740046 507373494 /nfs/dbraw/zinc/37/34/94/507373494.db2.gz ONHUVZGZFYUJQN-BPAFIMBUSA-N 1 2 372.490 3.016 20 30 FGEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000610740046 507373500 /nfs/dbraw/zinc/37/35/00/507373500.db2.gz ONHUVZGZFYUJQN-BPAFIMBUSA-N 1 2 372.490 3.016 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)n2c1 ZINC000591839077 507385941 /nfs/dbraw/zinc/38/59/41/507385941.db2.gz ZRESESXBACQVQJ-IEBWSBKVSA-N 1 2 352.825 3.167 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)n2c1 ZINC000591839077 507385945 /nfs/dbraw/zinc/38/59/45/507385945.db2.gz ZRESESXBACQVQJ-IEBWSBKVSA-N 1 2 352.825 3.167 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)nc1 ZINC000595294970 507450621 /nfs/dbraw/zinc/45/06/21/507450621.db2.gz DQGDUSNYSLCWOY-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccn1 ZINC000610995169 507470146 /nfs/dbraw/zinc/47/01/46/507470146.db2.gz QMAYWUCKLKZQHY-QGZVFWFLSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccn1 ZINC000610995169 507470150 /nfs/dbraw/zinc/47/01/50/507470150.db2.gz QMAYWUCKLKZQHY-QGZVFWFLSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601854897 507490441 /nfs/dbraw/zinc/49/04/41/507490441.db2.gz KKZLGEHYKRMSQA-UHFFFAOYSA-N 1 2 372.881 3.090 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000611072256 507505026 /nfs/dbraw/zinc/50/50/26/507505026.db2.gz ISFGSDUPGKQMFS-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000611072256 507505033 /nfs/dbraw/zinc/50/50/33/507505033.db2.gz ISFGSDUPGKQMFS-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152021 507510455 /nfs/dbraw/zinc/51/04/55/507510455.db2.gz SRWCCNYUGIIPPU-HWPZZCPQSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152021 507510461 /nfs/dbraw/zinc/51/04/61/507510461.db2.gz SRWCCNYUGIIPPU-HWPZZCPQSA-N 1 2 367.236 3.455 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000598603792 507513814 /nfs/dbraw/zinc/51/38/14/507513814.db2.gz KFLIVVHFWGSWCR-BBRMVZONSA-N 1 2 356.388 3.379 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000598603792 507513823 /nfs/dbraw/zinc/51/38/23/507513823.db2.gz KFLIVVHFWGSWCR-BBRMVZONSA-N 1 2 356.388 3.379 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)nc1 ZINC000595501834 507532390 /nfs/dbraw/zinc/53/23/90/507532390.db2.gz NKRKYPYJZPMOFC-HNNXBMFYSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)nc1 ZINC000595501834 507532399 /nfs/dbraw/zinc/53/23/99/507532399.db2.gz NKRKYPYJZPMOFC-HNNXBMFYSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C2CC2)cc1 ZINC000602050905 507570824 /nfs/dbraw/zinc/57/08/24/507570824.db2.gz FHWPXOACGFVWGC-INIZCTEOSA-N 1 2 362.355 3.439 20 30 FGEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000611254218 507581302 /nfs/dbraw/zinc/58/13/02/507581302.db2.gz UVYQJJKAKYIQCK-UHFFFAOYSA-N 1 2 357.498 3.450 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000595609267 507587682 /nfs/dbraw/zinc/58/76/82/507587682.db2.gz HZDIASICPMIIAI-SNVBAGLBSA-N 1 2 351.204 3.218 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000595609267 507587689 /nfs/dbraw/zinc/58/76/89/507587689.db2.gz HZDIASICPMIIAI-SNVBAGLBSA-N 1 2 351.204 3.218 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612103 507589631 /nfs/dbraw/zinc/58/96/31/507589631.db2.gz SAEGBFYDAXHULM-HOTGVXAUSA-N 1 2 357.454 3.204 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612103 507589641 /nfs/dbraw/zinc/58/96/41/507589641.db2.gz SAEGBFYDAXHULM-HOTGVXAUSA-N 1 2 357.454 3.204 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595611656 507589789 /nfs/dbraw/zinc/58/97/89/507589789.db2.gz MPIFNDOEJNYTOX-LLVKDONJSA-N 1 2 355.341 3.330 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595611656 507589796 /nfs/dbraw/zinc/58/97/96/507589796.db2.gz MPIFNDOEJNYTOX-LLVKDONJSA-N 1 2 355.341 3.330 20 30 FGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595673709 507621875 /nfs/dbraw/zinc/62/18/75/507621875.db2.gz HHNWNXPWBQEULF-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595673709 507621880 /nfs/dbraw/zinc/62/18/80/507621880.db2.gz HHNWNXPWBQEULF-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1F ZINC000595751797 507666710 /nfs/dbraw/zinc/66/67/10/507666710.db2.gz HJOGPOUAJQMKSE-IBGZPJMESA-N 1 2 367.424 3.159 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1F ZINC000595751797 507666713 /nfs/dbraw/zinc/66/67/13/507666713.db2.gz HJOGPOUAJQMKSE-IBGZPJMESA-N 1 2 367.424 3.159 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4cccs4)no3)CCOCC2)c1 ZINC000595772156 507678134 /nfs/dbraw/zinc/67/81/34/507678134.db2.gz FIWOMIVAGZWMDB-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000614922454 507694727 /nfs/dbraw/zinc/69/47/27/507694727.db2.gz TWGGNNCTDNBAIP-INIZCTEOSA-N 1 2 366.343 3.152 20 30 FGEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000614922454 507694730 /nfs/dbraw/zinc/69/47/30/507694730.db2.gz TWGGNNCTDNBAIP-INIZCTEOSA-N 1 2 366.343 3.152 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)cs1 ZINC000602446169 507712749 /nfs/dbraw/zinc/71/27/49/507712749.db2.gz WUDBDDFMAJICCI-UHFFFAOYSA-N 1 2 355.511 3.025 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517420 507717654 /nfs/dbraw/zinc/71/76/54/507717654.db2.gz AMRXLNUKEVIWBJ-UHFFFAOYSA-N 1 2 352.413 3.305 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517420 507717660 /nfs/dbraw/zinc/71/76/60/507717660.db2.gz AMRXLNUKEVIWBJ-UHFFFAOYSA-N 1 2 352.413 3.305 20 30 FGEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC=CCC1)CCCC2 ZINC000611517141 507718179 /nfs/dbraw/zinc/71/81/79/507718179.db2.gz BPCRBXFXZXFFBS-UHFFFAOYSA-N 1 2 360.461 3.428 20 30 FGEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC=CCC1)CCCC2 ZINC000611517141 507718185 /nfs/dbraw/zinc/71/81/85/507718185.db2.gz BPCRBXFXZXFFBS-UHFFFAOYSA-N 1 2 360.461 3.428 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000595876376 507723513 /nfs/dbraw/zinc/72/35/13/507723513.db2.gz BIXJWRRYULQZLA-HXUWFJFHSA-N 1 2 359.429 3.025 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCSC1 ZINC000595890118 507730042 /nfs/dbraw/zinc/73/00/42/507730042.db2.gz XPRMMVWMAQHJEI-UHFFFAOYSA-N 1 2 361.536 3.432 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCSC1 ZINC000595890118 507730050 /nfs/dbraw/zinc/73/00/50/507730050.db2.gz XPRMMVWMAQHJEI-UHFFFAOYSA-N 1 2 361.536 3.432 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000611551479 507733234 /nfs/dbraw/zinc/73/32/34/507733234.db2.gz QSFCXSQPUQYBKD-IBGZPJMESA-N 1 2 354.385 3.116 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917443 507744307 /nfs/dbraw/zinc/74/43/07/507744307.db2.gz MLKBLIWNFVYGCV-DJJJIMSYSA-N 1 2 360.408 3.203 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917443 507744311 /nfs/dbraw/zinc/74/43/11/507744311.db2.gz MLKBLIWNFVYGCV-DJJJIMSYSA-N 1 2 360.408 3.203 20 30 FGEDLO CSc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611574106 507747263 /nfs/dbraw/zinc/74/72/63/507747263.db2.gz SBWNJAGLEHNOIN-UHFFFAOYSA-N 1 2 354.479 3.468 20 30 FGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000472206372 561021083 /nfs/dbraw/zinc/02/10/83/561021083.db2.gz JTTAGYNSFIHJFF-LJQANCHMSA-N 1 2 369.428 3.017 20 30 FGEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c(Br)c1 ZINC000028774912 695705891 /nfs/dbraw/zinc/70/58/91/695705891.db2.gz ZWHFWQBTVYBCKU-UHFFFAOYSA-N 1 2 362.227 3.033 20 30 FGEDLO C#CC[NH+](CC#C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000093461326 700451610 /nfs/dbraw/zinc/45/16/10/700451610.db2.gz RVNNQVQDLQFIGR-UHFFFAOYSA-N 1 2 358.182 3.128 20 30 FGEDLO C=C(Br)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116403364 700593208 /nfs/dbraw/zinc/59/32/08/700593208.db2.gz CWSLLSSIQNHDRV-LLVKDONJSA-N 1 2 368.193 3.286 20 30 FGEDLO C=C(Br)C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116403364 700593210 /nfs/dbraw/zinc/59/32/10/700593210.db2.gz CWSLLSSIQNHDRV-LLVKDONJSA-N 1 2 368.193 3.286 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000186158753 712710713 /nfs/dbraw/zinc/71/07/13/712710713.db2.gz FWCYJIQCYHRCJG-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000193470290 712892495 /nfs/dbraw/zinc/89/24/95/712892495.db2.gz FLEKYADVXBPCGR-CYBMUJFWSA-N 1 2 360.458 3.358 20 30 FGEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000193470290 712892498 /nfs/dbraw/zinc/89/24/98/712892498.db2.gz FLEKYADVXBPCGR-CYBMUJFWSA-N 1 2 360.458 3.358 20 30 FGEDLO C#CC[NH+]1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000195741529 713560521 /nfs/dbraw/zinc/56/05/21/713560521.db2.gz MOGPLMGVNJJESK-UHFFFAOYSA-N 1 2 352.507 3.203 20 30 FGEDLO C[C@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000619827772 714873853 /nfs/dbraw/zinc/87/38/53/714873853.db2.gz CWSKOESJEDYXEC-SUMWQHHRSA-N 1 2 357.845 3.201 20 30 FGEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660950326 720151113 /nfs/dbraw/zinc/15/11/13/720151113.db2.gz ORVRHOCUMQZFNT-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660950326 720151118 /nfs/dbraw/zinc/15/11/18/720151118.db2.gz ORVRHOCUMQZFNT-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000782950409 724711767 /nfs/dbraw/zinc/71/17/67/724711767.db2.gz XWUXNXUZHZKEPP-UHFFFAOYSA-N 1 2 350.172 3.194 20 30 FGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)NC(=O)CO2 ZINC000783702357 724779657 /nfs/dbraw/zinc/77/96/57/724779657.db2.gz WUUIDYGVFNKZNL-IHWYPQMZSA-N 1 2 351.387 3.161 20 30 FGEDLO Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783744394 724785103 /nfs/dbraw/zinc/78/51/03/724785103.db2.gz JWQIQSFDBABTTB-OAHLLOKOSA-N 1 2 373.507 3.067 20 30 FGEDLO Cc1cc(N=NCc2c[nH+]c3c(C)cc(Br)cn23)nc(C)n1 ZINC000783826394 724793980 /nfs/dbraw/zinc/79/39/80/724793980.db2.gz GCEZXUXBFBDRRG-UHFFFAOYSA-N 1 2 359.231 3.258 20 30 FGEDLO C=CC[NH+]1CCN(c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)CC1 ZINC001165031471 721866901 /nfs/dbraw/zinc/86/69/01/721866901.db2.gz KWKAMBIAAMZAKG-UHFFFAOYSA-N 1 2 374.847 3.434 20 30 FGEDLO COCC#CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000677804950 721916880 /nfs/dbraw/zinc/91/68/80/721916880.db2.gz MERRHQXPBCCRRM-CYBMUJFWSA-N 1 2 364.902 3.285 20 30 FGEDLO C[NH+](C)Cc1csc(CNc2ccc(C#N)cc2Br)n1 ZINC000722392070 722420199 /nfs/dbraw/zinc/42/01/99/722420199.db2.gz NOPQPCMZPPCQSC-UHFFFAOYSA-N 1 2 351.273 3.451 20 30 FGEDLO C[C@@H](NC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000726441397 722434284 /nfs/dbraw/zinc/43/42/84/722434284.db2.gz NJYWRQYOVZEDBN-OAHLLOKOSA-N 1 2 370.547 3.373 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000730569452 722469317 /nfs/dbraw/zinc/46/93/17/722469317.db2.gz QCCLHXSUEBZTIO-UHFFFAOYSA-N 1 2 354.328 3.430 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccccc2SC)cc1 ZINC000733306000 722495291 /nfs/dbraw/zinc/49/52/91/722495291.db2.gz FDZOXMQTXDAJLS-GFCCVEGCSA-N 1 2 359.451 3.081 20 30 FGEDLO C[C@H]1CC(N=Nc2ccc(S(C)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757576853 722977181 /nfs/dbraw/zinc/97/71/81/722977181.db2.gz HJYBLFSGFWUXAL-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1CC(N=Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000757576853 722977182 /nfs/dbraw/zinc/97/71/82/722977182.db2.gz HJYBLFSGFWUXAL-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000794107436 723489874 /nfs/dbraw/zinc/48/98/74/723489874.db2.gz IMMWFEZUDQWZBK-LBPRGKRZSA-N 1 2 362.298 3.343 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000794107436 723489876 /nfs/dbraw/zinc/48/98/76/723489876.db2.gz IMMWFEZUDQWZBK-LBPRGKRZSA-N 1 2 362.298 3.343 20 30 FGEDLO CC[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794637188 723537421 /nfs/dbraw/zinc/53/74/21/723537421.db2.gz PVMGCNDBJCXSIZ-NVXWUHKLSA-N 1 2 355.511 3.490 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794637188 723537424 /nfs/dbraw/zinc/53/74/24/723537424.db2.gz PVMGCNDBJCXSIZ-NVXWUHKLSA-N 1 2 355.511 3.490 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000794831681 723548286 /nfs/dbraw/zinc/54/82/86/723548286.db2.gz HEFWZWPTEMREBY-AWEZNQCLSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000794831681 723548287 /nfs/dbraw/zinc/54/82/87/723548287.db2.gz HEFWZWPTEMREBY-AWEZNQCLSA-N 1 2 358.785 3.168 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(F)(F)CC1 ZINC000796542031 723642605 /nfs/dbraw/zinc/64/26/05/723642605.db2.gz SKNAVPNHFOETRV-AWEZNQCLSA-N 1 2 351.397 3.061 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@H](C)C2)cc1OC ZINC000769456550 723686025 /nfs/dbraw/zinc/68/60/25/723686025.db2.gz MLXUQWRGBRMURL-CYBMUJFWSA-N 1 2 370.287 3.491 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@H](C)C2)cc1OC ZINC000769456550 723686026 /nfs/dbraw/zinc/68/60/26/723686026.db2.gz MLXUQWRGBRMURL-CYBMUJFWSA-N 1 2 370.287 3.491 20 30 FGEDLO O=S(=O)(c1ccc(NN=Cc2cccc3[nH+]ccn32)cc1)C(F)(F)F ZINC000771099131 723727926 /nfs/dbraw/zinc/72/79/26/723727926.db2.gz WTRDNLRLUXKNPA-UHFFFAOYSA-N 1 2 368.340 3.074 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128121 723989894 /nfs/dbraw/zinc/98/98/94/723989894.db2.gz NCEPJXNZRCOJCO-HOTGVXAUSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128121 723989896 /nfs/dbraw/zinc/98/98/96/723989896.db2.gz NCEPJXNZRCOJCO-HOTGVXAUSA-N 1 2 364.921 3.425 20 30 FGEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccccc1Cl ZINC000777818072 724261555 /nfs/dbraw/zinc/26/15/55/724261555.db2.gz YLIGWRDQRXOBEP-MRXNPFEDSA-N 1 2 371.934 3.192 20 30 FGEDLO COc1ccc(Br)c(CNN=Cc2cccc3[nH+]ccn32)c1 ZINC000788728897 725084134 /nfs/dbraw/zinc/08/41/34/725084134.db2.gz GLFJFXLESPIVTC-UHFFFAOYSA-N 1 2 359.227 3.229 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(F)c(Br)c2)n1 ZINC000789331515 725122697 /nfs/dbraw/zinc/12/26/97/725122697.db2.gz CAQNNBVHGWDTCY-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(F)c(Br)c2)n1 ZINC000789331515 725122699 /nfs/dbraw/zinc/12/26/99/725122699.db2.gz CAQNNBVHGWDTCY-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213062 726851133 /nfs/dbraw/zinc/85/11/33/726851133.db2.gz HMNBUEPMFUINKJ-MLGOLLRUSA-N 1 2 357.351 3.489 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213062 726851137 /nfs/dbraw/zinc/85/11/37/726851137.db2.gz HMNBUEPMFUINKJ-MLGOLLRUSA-N 1 2 357.351 3.489 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213065 726851183 /nfs/dbraw/zinc/85/11/83/726851183.db2.gz HMNBUEPMFUINKJ-WBMJQRKESA-N 1 2 357.351 3.489 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213065 726851188 /nfs/dbraw/zinc/85/11/88/726851188.db2.gz HMNBUEPMFUINKJ-WBMJQRKESA-N 1 2 357.351 3.489 20 30 FGEDLO CN(C)c1ccc(NC(=S)N[NH+]=C2CCCc3ccc(N)cc32)cc1 ZINC000814838823 727005212 /nfs/dbraw/zinc/00/52/12/727005212.db2.gz CXPJNOBHGGDPEX-UHFFFAOYSA-N 1 2 353.495 3.362 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000815892381 727104804 /nfs/dbraw/zinc/10/48/04/727104804.db2.gz OLGYOFCZIZRARP-GJZGRUSLSA-N 1 2 358.816 3.039 20 30 FGEDLO C=CCC(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000815892381 727104806 /nfs/dbraw/zinc/10/48/06/727104806.db2.gz OLGYOFCZIZRARP-GJZGRUSLSA-N 1 2 358.816 3.039 20 30 FGEDLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294576 727237626 /nfs/dbraw/zinc/23/76/26/727237626.db2.gz WRUTTZSIFRIDPM-MCIONIFRSA-N 1 2 364.515 3.386 20 30 FGEDLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294576 727237628 /nfs/dbraw/zinc/23/76/28/727237628.db2.gz WRUTTZSIFRIDPM-MCIONIFRSA-N 1 2 364.515 3.386 20 30 FGEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2nn(C)c(C)c2Cl)ccc1OC ZINC000817407397 727247322 /nfs/dbraw/zinc/24/73/22/727247322.db2.gz MPKYXJDVMRPURL-AWEZNQCLSA-N 1 2 362.861 3.361 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000819111338 727348813 /nfs/dbraw/zinc/34/88/13/727348813.db2.gz OAPMSWIEHSDALA-LLVKDONJSA-N 1 2 370.931 3.240 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871728253 735539364 /nfs/dbraw/zinc/53/93/64/735539364.db2.gz SOYLZDDYDCEUIJ-CQSZACIVSA-N 1 2 355.467 3.120 20 30 FGEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000822254656 729157002 /nfs/dbraw/zinc/15/70/02/729157002.db2.gz AZYLDTMVCUESEQ-UHFFFAOYSA-N 1 2 354.475 3.108 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC000822935557 729233608 /nfs/dbraw/zinc/23/36/08/729233608.db2.gz UTFJKFSWNURVAN-UHFFFAOYSA-N 1 2 364.461 3.248 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1C#N ZINC000832243271 729699195 /nfs/dbraw/zinc/69/91/95/729699195.db2.gz QODBODRRLZHBTK-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000840728728 730166912 /nfs/dbraw/zinc/16/69/12/730166912.db2.gz KVBZFQFKBCGERR-TZMCWYRMSA-N 1 2 359.451 3.461 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC=C)c2=S)C1 ZINC000842627398 730521323 /nfs/dbraw/zinc/52/13/23/730521323.db2.gz HNDSYOSFVOSZKT-INIZCTEOSA-N 1 2 353.495 3.355 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC=C)c2=S)C1 ZINC000842627398 730521326 /nfs/dbraw/zinc/52/13/26/730521326.db2.gz HNDSYOSFVOSZKT-INIZCTEOSA-N 1 2 353.495 3.355 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425579 730619300 /nfs/dbraw/zinc/61/93/00/730619300.db2.gz QFVMWUOWICISQZ-LJQANCHMSA-N 1 2 358.873 3.500 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425579 730619301 /nfs/dbraw/zinc/61/93/01/730619301.db2.gz QFVMWUOWICISQZ-LJQANCHMSA-N 1 2 358.873 3.500 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367577 730708634 /nfs/dbraw/zinc/70/86/34/730708634.db2.gz ADHOIUXJUVMZBZ-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367577 730708638 /nfs/dbraw/zinc/70/86/38/730708638.db2.gz ADHOIUXJUVMZBZ-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO C#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000846230131 730938037 /nfs/dbraw/zinc/93/80/37/730938037.db2.gz HSFHTGPYMRYAKQ-INIZCTEOSA-N 1 2 372.266 3.015 20 30 FGEDLO Clc1cc2c(c(Br)c1)OCC2=NNCCCn1cc[nH+]c1 ZINC000848416332 731161931 /nfs/dbraw/zinc/16/19/31/731161931.db2.gz HOVIJNOBVCOACI-UHFFFAOYSA-N 1 2 369.650 3.075 20 30 FGEDLO Fc1ccc2c(c1Br)CCC2=NNCCCn1cc[nH+]c1 ZINC000848416157 731162126 /nfs/dbraw/zinc/16/21/26/731162126.db2.gz ASPSRUSVRNMYRX-UHFFFAOYSA-N 1 2 351.223 3.115 20 30 FGEDLO N#Cc1ccc(Br)c(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000853395956 731700481 /nfs/dbraw/zinc/70/04/81/731700481.db2.gz QMVUMDJCTRBLTP-UHFFFAOYSA-N 1 2 371.242 3.157 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCCc1cnc2c(Cl)cnn2c1 ZINC000853650952 731737386 /nfs/dbraw/zinc/73/73/86/731737386.db2.gz OHIWBUBGIBWATA-UHFFFAOYSA-N 1 2 355.829 3.225 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCn3c[nH+]cc32)s1 ZINC000857979040 732174221 /nfs/dbraw/zinc/17/42/21/732174221.db2.gz SWFKFHCHSDBKQQ-NSHDSACASA-N 1 2 368.915 3.296 20 30 FGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535434 733362409 /nfs/dbraw/zinc/36/24/09/733362409.db2.gz DFHKKXAWKVHJPJ-KGLIPLIRSA-N 1 2 358.463 3.122 20 30 FGEDLO C#CCC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCCC1 ZINC000870996111 733906668 /nfs/dbraw/zinc/90/66/68/733906668.db2.gz YZVAPXDRDQXCJJ-UHFFFAOYSA-N 1 2 357.523 3.225 20 30 FGEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876719595 736136635 /nfs/dbraw/zinc/13/66/35/736136635.db2.gz PIAUKGSBDXBPHB-UHFFFAOYSA-N 1 2 364.877 3.438 20 30 FGEDLO CCOC(=O)c1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000877158716 736193210 /nfs/dbraw/zinc/19/32/10/736193210.db2.gz LVMYHKMJXKIEPV-UHFFFAOYSA-N 1 2 352.312 3.011 20 30 FGEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)C(=O)OCC ZINC000877671298 736702460 /nfs/dbraw/zinc/70/24/60/736702460.db2.gz HNJXCBXSXIMOOY-RUXDESIVSA-N 1 2 355.866 3.322 20 30 FGEDLO CC(C)OC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000886724034 739290438 /nfs/dbraw/zinc/29/04/38/739290438.db2.gz UYKJYNUQKMZQLV-UHFFFAOYSA-N 1 2 350.846 3.406 20 30 FGEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000886771132 739295994 /nfs/dbraw/zinc/29/59/94/739295994.db2.gz CPHKMCONNLIYGQ-GFCCVEGCSA-N 1 2 363.458 3.165 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000950593493 762442446 /nfs/dbraw/zinc/44/24/46/762442446.db2.gz DIJRPYAUMTYJLN-NEWSRXKRSA-N 1 2 360.885 3.063 20 30 FGEDLO N#Cc1ccc(Br)c(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000921567490 758746512 /nfs/dbraw/zinc/74/65/12/758746512.db2.gz WUWWPBNWNXTBIR-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917484 761005583 /nfs/dbraw/zinc/00/55/83/761005583.db2.gz DFBICYHIJZYTKD-NHYWBVRUSA-N 1 2 355.335 3.252 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917484 761005597 /nfs/dbraw/zinc/00/55/97/761005597.db2.gz DFBICYHIJZYTKD-NHYWBVRUSA-N 1 2 355.335 3.252 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917479 761005694 /nfs/dbraw/zinc/00/56/94/761005694.db2.gz DFBICYHIJZYTKD-ABAIWWIYSA-N 1 2 355.335 3.252 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917479 761005706 /nfs/dbraw/zinc/00/57/06/761005706.db2.gz DFBICYHIJZYTKD-ABAIWWIYSA-N 1 2 355.335 3.252 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000932654613 761209727 /nfs/dbraw/zinc/20/97/27/761209727.db2.gz SQEVTCQXVPUOJF-UHFFFAOYSA-N 1 2 358.335 3.405 20 30 FGEDLO Cc1csc(C[C@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000933129398 761325089 /nfs/dbraw/zinc/32/50/89/761325089.db2.gz IYEBHQFXVSWDDN-CQSZACIVSA-N 1 2 358.467 3.036 20 30 FGEDLO Cc1csc(C[C@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000933129398 761325096 /nfs/dbraw/zinc/32/50/96/761325096.db2.gz IYEBHQFXVSWDDN-CQSZACIVSA-N 1 2 358.467 3.036 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1 ZINC000933647739 761445190 /nfs/dbraw/zinc/44/51/90/761445190.db2.gz GMFIUHATZXSXNM-UHFFFAOYSA-N 1 2 357.841 3.363 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)C1 ZINC000933653610 761447468 /nfs/dbraw/zinc/44/74/68/761447468.db2.gz ZNXNUSIZQVSXRP-UHFFFAOYSA-N 1 2 359.813 3.228 20 30 FGEDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933654355 761447587 /nfs/dbraw/zinc/44/75/87/761447587.db2.gz TWYKJURPFXIGHO-CQSZACIVSA-N 1 2 360.479 3.073 20 30 FGEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775585 761470964 /nfs/dbraw/zinc/47/09/64/761470964.db2.gz KKAUIPAFUNVXDG-KBPBESRZSA-N 1 2 357.479 3.326 20 30 FGEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775585 761470968 /nfs/dbraw/zinc/47/09/68/761470968.db2.gz KKAUIPAFUNVXDG-KBPBESRZSA-N 1 2 357.479 3.326 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000970446376 762875058 /nfs/dbraw/zinc/87/50/58/762875058.db2.gz DKQZMSFQUBCPOU-XZOAIXRZSA-N 1 2 366.864 3.007 20 30 FGEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970554572 762877876 /nfs/dbraw/zinc/87/78/76/762877876.db2.gz MPHAPAUVYYRCEE-ZOCIIQOWSA-N 1 2 356.897 3.174 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CC1 ZINC000981186615 763461950 /nfs/dbraw/zinc/46/19/50/763461950.db2.gz WLLIZSHYQVMKBM-RTBURBONSA-N 1 2 362.901 3.094 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CC1 ZINC000981186615 763461951 /nfs/dbraw/zinc/46/19/51/763461951.db2.gz WLLIZSHYQVMKBM-RTBURBONSA-N 1 2 362.901 3.094 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000981992902 763544882 /nfs/dbraw/zinc/54/48/82/763544882.db2.gz OMYGTOXVAARNME-QAPCUYQASA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000981992902 763544885 /nfs/dbraw/zinc/54/48/85/763544885.db2.gz OMYGTOXVAARNME-QAPCUYQASA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001001413570 765285912 /nfs/dbraw/zinc/28/59/12/765285912.db2.gz PXLYNLIODQFQKS-QWDMWISKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001007519178 765603513 /nfs/dbraw/zinc/60/35/13/765603513.db2.gz KHKUNJUPDHWVEQ-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001007519178 765603518 /nfs/dbraw/zinc/60/35/18/765603518.db2.gz KHKUNJUPDHWVEQ-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015828152 765810627 /nfs/dbraw/zinc/81/06/27/765810627.db2.gz BFUOYJKFCXNWRW-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001015828152 765810634 /nfs/dbraw/zinc/81/06/34/765810634.db2.gz BFUOYJKFCXNWRW-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001015829691 765811859 /nfs/dbraw/zinc/81/18/59/765811859.db2.gz ZIIQNPRFGYUQHK-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001015829691 765811866 /nfs/dbraw/zinc/81/18/66/765811866.db2.gz ZIIQNPRFGYUQHK-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046419589 766588537 /nfs/dbraw/zinc/58/85/37/766588537.db2.gz XHLPGWGCZJQDTH-SQWLQELKSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046419589 766588545 /nfs/dbraw/zinc/58/85/45/766588545.db2.gz XHLPGWGCZJQDTH-SQWLQELKSA-N 1 2 369.328 3.341 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000065870080 221238421 /nfs/dbraw/zinc/23/84/21/221238421.db2.gz NKFCJOWBWGTALM-UHFFFAOYSA-N 1 2 374.444 3.330 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccccc1C#N)c1cccc(F)c1 ZINC000024016624 257335161 /nfs/dbraw/zinc/33/51/61/257335161.db2.gz BYYZZNAQZHGCMP-SQUSKLHYSA-N 1 2 360.392 3.350 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1C ZINC000016484476 132373794 /nfs/dbraw/zinc/37/37/94/132373794.db2.gz YOGAYZONSFZBGQ-IBGZPJMESA-N 1 2 368.525 3.157 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573617119 505579372 /nfs/dbraw/zinc/57/93/72/505579372.db2.gz VNRFTLVQRXQVFI-INIZCTEOSA-N 1 2 353.388 3.410 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573617119 505579378 /nfs/dbraw/zinc/57/93/78/505579378.db2.gz VNRFTLVQRXQVFI-INIZCTEOSA-N 1 2 353.388 3.410 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068252128 493785275 /nfs/dbraw/zinc/78/52/75/493785275.db2.gz GYYDYSMRSPDKBY-NRFANRHFSA-N 1 2 363.461 3.094 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000080895353 493788364 /nfs/dbraw/zinc/78/83/64/493788364.db2.gz DVJMEGMOQJIURP-VQTJNVASSA-N 1 2 361.445 3.133 20 30 FGEDLO COc1ccc([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000028620628 493794201 /nfs/dbraw/zinc/79/42/01/493794201.db2.gz AKMQXSONVIAYGC-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C#N)cc3)cn2c1 ZINC000049055152 493858063 /nfs/dbraw/zinc/85/80/63/493858063.db2.gz KBWTVFWCVOKOTQ-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO C[N@H+](Cc1ccc(Br)o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000030217304 493881310 /nfs/dbraw/zinc/88/13/10/493881310.db2.gz GJFHWYQGPUZAIM-OAHLLOKOSA-N 1 2 374.238 3.151 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000030217304 493881312 /nfs/dbraw/zinc/88/13/12/493881312.db2.gz GJFHWYQGPUZAIM-OAHLLOKOSA-N 1 2 374.238 3.151 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081549043 493913350 /nfs/dbraw/zinc/91/33/50/493913350.db2.gz CCNAFSJZLYCTSN-CQSZACIVSA-N 1 2 356.857 3.069 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000052218645 494012738 /nfs/dbraw/zinc/01/27/38/494012738.db2.gz KCJHHWXXHODGNO-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(C#N)c1 ZINC000063300865 494041994 /nfs/dbraw/zinc/04/19/94/494041994.db2.gz BKZKALBIXVIDRL-UHFFFAOYSA-N 1 2 350.466 3.231 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccc(C#N)c1 ZINC000063300865 494041997 /nfs/dbraw/zinc/04/19/97/494041997.db2.gz BKZKALBIXVIDRL-UHFFFAOYSA-N 1 2 350.466 3.231 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C#N)cs3)CC2)cc1 ZINC000084091386 494047932 /nfs/dbraw/zinc/04/79/32/494047932.db2.gz KDAFAZYZRDLONI-UHFFFAOYSA-N 1 2 355.463 3.369 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638421 494049197 /nfs/dbraw/zinc/04/91/97/494049197.db2.gz QXEBDAVLGYWYKA-WMZOPIPTSA-N 1 2 369.292 3.084 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638421 494049199 /nfs/dbraw/zinc/04/91/99/494049199.db2.gz QXEBDAVLGYWYKA-WMZOPIPTSA-N 1 2 369.292 3.084 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C#N)cs1 ZINC000084116322 494049364 /nfs/dbraw/zinc/04/93/64/494049364.db2.gz NIUCVUXJMFUBGS-UHFFFAOYSA-N 1 2 354.479 3.393 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(CO)CC2)c1C#N ZINC000052819968 494064512 /nfs/dbraw/zinc/06/45/12/494064512.db2.gz JUSFVGMPBVAREJ-UHFFFAOYSA-N 1 2 372.513 3.125 20 30 FGEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000084926079 494106721 /nfs/dbraw/zinc/10/67/21/494106721.db2.gz SMRXHAUYGNQYMY-IBGZPJMESA-N 1 2 351.450 3.360 20 30 FGEDLO N#Cc1ccc(NCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000064725155 494144594 /nfs/dbraw/zinc/14/45/94/494144594.db2.gz ZFCPKFCHUMABCJ-UHFFFAOYSA-N 1 2 363.465 3.062 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000010141805 494144608 /nfs/dbraw/zinc/14/46/08/494144608.db2.gz ITDGWIWFTKZVIX-AWEZNQCLSA-N 1 2 353.422 3.034 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000010141805 494144612 /nfs/dbraw/zinc/14/46/12/494144612.db2.gz ITDGWIWFTKZVIX-AWEZNQCLSA-N 1 2 353.422 3.034 20 30 FGEDLO COc1ccc([C@@H](NC(=O)Nc2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000054009426 494185330 /nfs/dbraw/zinc/18/53/30/494185330.db2.gz YEUQBXNDXAJRTQ-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559428 494249642 /nfs/dbraw/zinc/24/96/42/494249642.db2.gz CCFDTIDKWUHZRA-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559428 494249649 /nfs/dbraw/zinc/24/96/49/494249649.db2.gz CCFDTIDKWUHZRA-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000054678051 494259956 /nfs/dbraw/zinc/25/99/56/494259956.db2.gz ZWFQXILPBWPTGA-LLVKDONJSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000066818588 494416114 /nfs/dbraw/zinc/41/61/14/494416114.db2.gz CCUJRHUSNKUVAS-UHFFFAOYSA-N 1 2 371.448 3.195 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000046086419 494493165 /nfs/dbraw/zinc/49/31/65/494493165.db2.gz LKYUEVOPYCAETC-UHFFFAOYSA-N 1 2 373.460 3.244 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000046086419 494493168 /nfs/dbraw/zinc/49/31/68/494493168.db2.gz LKYUEVOPYCAETC-UHFFFAOYSA-N 1 2 373.460 3.244 20 30 FGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)cc1C(F)(F)F ZINC000067349538 494517928 /nfs/dbraw/zinc/51/79/28/494517928.db2.gz ARZFOBKMTAQWLV-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000091067268 494523087 /nfs/dbraw/zinc/52/30/87/494523087.db2.gz RKMZZUNNSUVARC-MRXNPFEDSA-N 1 2 362.437 3.123 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000091067268 494523089 /nfs/dbraw/zinc/52/30/89/494523089.db2.gz RKMZZUNNSUVARC-MRXNPFEDSA-N 1 2 362.437 3.123 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000125938945 494582751 /nfs/dbraw/zinc/58/27/51/494582751.db2.gz CNVAIHZEHKRWJL-HNNXBMFYSA-N 1 2 360.417 3.102 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000131320540 494584060 /nfs/dbraw/zinc/58/40/60/494584060.db2.gz DQWWUKCCKADDRH-RDTXWAMCSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000131320540 494584066 /nfs/dbraw/zinc/58/40/66/494584066.db2.gz DQWWUKCCKADDRH-RDTXWAMCSA-N 1 2 353.422 3.462 20 30 FGEDLO C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1ccc(C#N)cc1 ZINC000115762031 494614762 /nfs/dbraw/zinc/61/47/62/494614762.db2.gz JLNKNWDFWBKYCN-FZKQIMNGSA-N 1 2 372.419 3.500 20 30 FGEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000074917973 494647055 /nfs/dbraw/zinc/64/70/55/494647055.db2.gz HCSVCGSXPAFZBD-LBPRGKRZSA-N 1 2 365.359 3.220 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(-c4nnc5n4CCCC5)cc3)n2c1 ZINC000131830897 494747806 /nfs/dbraw/zinc/74/78/06/494747806.db2.gz HIBDIXUBWRCPBZ-UHFFFAOYSA-N 1 2 369.432 3.413 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCN1CC(F)(F)F ZINC000092102862 494790715 /nfs/dbraw/zinc/79/07/15/494790715.db2.gz MOMHYOHCSRPTRY-HNNXBMFYSA-N 1 2 355.404 3.438 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCN1CC(F)(F)F ZINC000092102862 494790724 /nfs/dbraw/zinc/79/07/24/494790724.db2.gz MOMHYOHCSRPTRY-HNNXBMFYSA-N 1 2 355.404 3.438 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000075552985 494792462 /nfs/dbraw/zinc/79/24/62/494792462.db2.gz NMRIAEUQNBKAFH-CYBMUJFWSA-N 1 2 367.478 3.295 20 30 FGEDLO C=CC[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871165 494796165 /nfs/dbraw/zinc/79/61/65/494796165.db2.gz RLAWNRSVXNATHK-CYBMUJFWSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871165 494796168 /nfs/dbraw/zinc/79/61/68/494796168.db2.gz RLAWNRSVXNATHK-CYBMUJFWSA-N 1 2 364.294 3.047 20 30 FGEDLO COCCOc1c(Cl)cccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092158889 494801634 /nfs/dbraw/zinc/80/16/34/494801634.db2.gz QPHRXSOXLKJMCH-UHFFFAOYSA-N 1 2 356.813 3.497 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCOC)CC1 ZINC000116884723 494866399 /nfs/dbraw/zinc/86/63/99/494866399.db2.gz SFHBECQWOQJZLL-UHFFFAOYSA-N 1 2 364.511 3.031 20 30 FGEDLO N#Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000132614973 494899783 /nfs/dbraw/zinc/89/97/83/494899783.db2.gz YYODRVGREGOODR-LEWJYISDSA-N 1 2 371.444 3.483 20 30 FGEDLO N#Cc1cccc(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000127362054 494933840 /nfs/dbraw/zinc/93/38/40/494933840.db2.gz BEASRYUEVMQUQY-UHFFFAOYSA-N 1 2 363.442 3.490 20 30 FGEDLO COc1ccc(C[N@@H+](CC#Cc2cccc(Cl)c2)CCO)c(OC)c1 ZINC000122212026 494940934 /nfs/dbraw/zinc/94/09/34/494940934.db2.gz DBWMLUZDJNSEIE-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(C[N@H+](CC#Cc2cccc(Cl)c2)CCO)c(OC)c1 ZINC000122212026 494940935 /nfs/dbraw/zinc/94/09/35/494940935.db2.gz DBWMLUZDJNSEIE-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118390770 495000164 /nfs/dbraw/zinc/00/01/64/495000164.db2.gz ZLXNHQCGKQJJGV-KRWDZBQOSA-N 1 2 365.477 3.454 20 30 FGEDLO CSc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554991 495076660 /nfs/dbraw/zinc/07/66/60/495076660.db2.gz UWEFDJPARSHCAY-UHFFFAOYSA-N 1 2 366.490 3.041 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OCC ZINC000123140719 495086170 /nfs/dbraw/zinc/08/61/70/495086170.db2.gz CMXUWDCEKLQFCD-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C#N)c1C ZINC000128459529 495100115 /nfs/dbraw/zinc/10/01/15/495100115.db2.gz JSYPGYCTUXIANM-GOSISDBHSA-N 1 2 367.449 3.388 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C#N)c1C ZINC000128459529 495100118 /nfs/dbraw/zinc/10/01/18/495100118.db2.gz JSYPGYCTUXIANM-GOSISDBHSA-N 1 2 367.449 3.388 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000101864139 495103600 /nfs/dbraw/zinc/10/36/00/495103600.db2.gz HGBTUQJWGRLGCZ-UHFFFAOYSA-N 1 2 355.438 3.106 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000128569656 495117890 /nfs/dbraw/zinc/11/78/90/495117890.db2.gz NBPRJKSBBFMEPD-INIZCTEOSA-N 1 2 353.491 3.458 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000123813188 495190778 /nfs/dbraw/zinc/19/07/78/495190778.db2.gz YRUUAMHMAFQQCL-UHFFFAOYSA-N 1 2 368.444 3.305 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(CC)CCC#N)c1 ZINC000123838260 495195157 /nfs/dbraw/zinc/19/51/57/495195157.db2.gz XISFBGDFZDGEPG-UHFFFAOYSA-N 1 2 367.453 3.051 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C#N ZINC000134950959 495229688 /nfs/dbraw/zinc/22/96/88/495229688.db2.gz ONWFOUYNBITFMB-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C[C@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124097765 495233518 /nfs/dbraw/zinc/23/35/18/495233518.db2.gz JDOONMMHZBMHOM-MAUKXSAKSA-N 1 2 354.479 3.098 20 30 FGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000120288299 495344281 /nfs/dbraw/zinc/34/42/81/495344281.db2.gz PZICOUKEBUJHMT-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000120288299 495344285 /nfs/dbraw/zinc/34/42/85/495344285.db2.gz PZICOUKEBUJHMT-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000125189369 495403416 /nfs/dbraw/zinc/40/34/16/495403416.db2.gz SMXVGMMCEOSUGA-ZDUSSCGKSA-N 1 2 369.421 3.014 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000125189369 495403421 /nfs/dbraw/zinc/40/34/21/495403421.db2.gz SMXVGMMCEOSUGA-ZDUSSCGKSA-N 1 2 369.421 3.014 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000114802214 495427756 /nfs/dbraw/zinc/42/77/56/495427756.db2.gz CSCZHSAUVFKSMP-HNNXBMFYSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000114802214 495427761 /nfs/dbraw/zinc/42/77/61/495427761.db2.gz CSCZHSAUVFKSMP-HNNXBMFYSA-N 1 2 355.438 3.364 20 30 FGEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc2)c1 ZINC000580543357 505782418 /nfs/dbraw/zinc/78/24/18/505782418.db2.gz CFSIRBIRMLMZJF-JXFKEZNVSA-N 1 2 367.474 3.213 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000120778231 495455774 /nfs/dbraw/zinc/45/57/74/495455774.db2.gz YHWHVJKMTXWGHH-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C(N)=O)cc1 ZINC000115597199 495520660 /nfs/dbraw/zinc/52/06/60/495520660.db2.gz COPFUGYPVDNWMT-JOCHJYFZSA-N 1 2 371.440 3.453 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176219640 495551074 /nfs/dbraw/zinc/55/10/74/495551074.db2.gz YDXZPZGDUGVZMI-UHFFFAOYSA-N 1 2 354.475 3.063 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176219640 495551077 /nfs/dbraw/zinc/55/10/77/495551077.db2.gz YDXZPZGDUGVZMI-UHFFFAOYSA-N 1 2 354.475 3.063 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000173552584 495585800 /nfs/dbraw/zinc/58/58/00/495585800.db2.gz DONKXULUCNTZQM-UHFFFAOYSA-N 1 2 367.515 3.216 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000173552584 495585803 /nfs/dbraw/zinc/58/58/03/495585803.db2.gz DONKXULUCNTZQM-UHFFFAOYSA-N 1 2 367.515 3.216 20 30 FGEDLO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cn1cc[nH+]c1 ZINC000176386406 495632085 /nfs/dbraw/zinc/63/20/85/495632085.db2.gz UIYVELDWEDRNML-QGZVFWFLSA-N 1 2 374.444 3.400 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000179653848 495677487 /nfs/dbraw/zinc/67/74/87/495677487.db2.gz YIURLQSBWQJFNO-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000179653848 495677491 /nfs/dbraw/zinc/67/74/91/495677491.db2.gz YIURLQSBWQJFNO-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000151208211 495772426 /nfs/dbraw/zinc/77/24/26/495772426.db2.gz LHWSKCZSPHRJAA-UHFFFAOYSA-N 1 2 358.482 3.116 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185977785 495807029 /nfs/dbraw/zinc/80/70/29/495807029.db2.gz OFBSXKCBZNFFMR-MNOVXSKESA-N 1 2 362.421 3.211 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000155058943 495820545 /nfs/dbraw/zinc/82/05/45/495820545.db2.gz BXUOXEIBPPUBAH-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000180028237 495830557 /nfs/dbraw/zinc/83/05/57/495830557.db2.gz CWAHONMJIAZQIR-HOTGVXAUSA-N 1 2 367.453 3.198 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000151554077 495876305 /nfs/dbraw/zinc/87/63/05/495876305.db2.gz KNWTYJFITGLKRM-ZDUSSCGKSA-N 1 2 356.308 3.033 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151554077 495876310 /nfs/dbraw/zinc/87/63/10/495876310.db2.gz KNWTYJFITGLKRM-ZDUSSCGKSA-N 1 2 356.308 3.033 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(-c4n[nH]c(C5CC5)n4)cc3)n2c1 ZINC000180180160 495893380 /nfs/dbraw/zinc/89/33/80/495893380.db2.gz QZDIKODVAPKXQS-UHFFFAOYSA-N 1 2 355.405 3.481 20 30 FGEDLO COCCOc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155271819 495899516 /nfs/dbraw/zinc/89/95/16/495899516.db2.gz WNUGULFNISWSPL-NRFANRHFSA-N 1 2 365.477 3.094 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000186287519 495928882 /nfs/dbraw/zinc/92/88/82/495928882.db2.gz JFMZUILCNDHUBE-MRXNPFEDSA-N 1 2 366.440 3.015 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3sccc3C#N)CC2)c1 ZINC000171586959 495938639 /nfs/dbraw/zinc/93/86/39/495938639.db2.gz UZZHNHLJEPZAFB-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1O ZINC000177214817 495981123 /nfs/dbraw/zinc/98/11/23/495981123.db2.gz SNEZWRGVSAQTAY-UHFFFAOYSA-N 1 2 359.451 3.021 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1O ZINC000177214817 495981128 /nfs/dbraw/zinc/98/11/28/495981128.db2.gz SNEZWRGVSAQTAY-UHFFFAOYSA-N 1 2 359.451 3.021 20 30 FGEDLO N#CCSc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186428104 495994750 /nfs/dbraw/zinc/99/47/50/495994750.db2.gz PRUJCYNTJBKSMH-UHFFFAOYSA-N 1 2 352.463 3.050 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172038285 496138315 /nfs/dbraw/zinc/13/83/15/496138315.db2.gz KUPRNNKBDMBTJY-UHFFFAOYSA-N 1 2 362.458 3.407 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000161644484 496213967 /nfs/dbraw/zinc/21/39/67/496213967.db2.gz ZGTDSLDWIKWGPB-IBGZPJMESA-N 1 2 351.450 3.086 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000177925049 496253778 /nfs/dbraw/zinc/25/37/78/496253778.db2.gz CFIZTABCYMDFIX-UHFFFAOYSA-N 1 2 363.396 3.458 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000156665424 496307012 /nfs/dbraw/zinc/30/70/12/496307012.db2.gz ZAJXEVMYRUCMSU-UHFFFAOYSA-N 1 2 358.463 3.370 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000156665424 496307020 /nfs/dbraw/zinc/30/70/20/496307020.db2.gz ZAJXEVMYRUCMSU-UHFFFAOYSA-N 1 2 358.463 3.370 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000184342998 496342536 /nfs/dbraw/zinc/34/25/36/496342536.db2.gz YXEVDPBNFYINAR-KRWDZBQOSA-N 1 2 365.477 3.454 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000178302168 496405209 /nfs/dbraw/zinc/40/52/09/496405209.db2.gz UOKXVPIWDUHVSV-HNNXBMFYSA-N 1 2 371.510 3.468 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000178302168 496405214 /nfs/dbraw/zinc/40/52/14/496405214.db2.gz UOKXVPIWDUHVSV-HNNXBMFYSA-N 1 2 371.510 3.468 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000178373009 496431158 /nfs/dbraw/zinc/43/11/58/496431158.db2.gz MBQQJCXNBSARSQ-OAHLLOKOSA-N 1 2 358.463 3.121 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000178373009 496431163 /nfs/dbraw/zinc/43/11/63/496431163.db2.gz MBQQJCXNBSARSQ-OAHLLOKOSA-N 1 2 358.463 3.121 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000162922185 496433868 /nfs/dbraw/zinc/43/38/68/496433868.db2.gz CBRABFJFPKYTSA-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000162922185 496433874 /nfs/dbraw/zinc/43/38/74/496433874.db2.gz CBRABFJFPKYTSA-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439823 496441157 /nfs/dbraw/zinc/44/11/57/496441157.db2.gz GRFTWNHOXXPTNN-ROUUACIJSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439823 496441159 /nfs/dbraw/zinc/44/11/59/496441159.db2.gz GRFTWNHOXXPTNN-ROUUACIJSA-N 1 2 359.351 3.151 20 30 FGEDLO N#Cc1cccc(OCCNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1 ZINC000172860078 496463667 /nfs/dbraw/zinc/46/36/67/496463667.db2.gz DEGFPTGCCKZBQS-UHFFFAOYSA-N 1 2 364.449 3.138 20 30 FGEDLO CCOc1cc(C#N)ccc1OC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000153480092 496468789 /nfs/dbraw/zinc/46/87/89/496468789.db2.gz JRYKZFCHUAUUGF-KRWDZBQOSA-N 1 2 365.433 3.363 20 30 FGEDLO Cc1cc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c(C#N)c[nH+]1 ZINC000574751454 505847454 /nfs/dbraw/zinc/84/74/54/505847454.db2.gz GNKMTBJCKKODES-KRWDZBQOSA-N 1 2 360.417 3.407 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000164316626 496604256 /nfs/dbraw/zinc/60/42/56/496604256.db2.gz YMMQEZOASOGJCP-WMZOPIPTSA-N 1 2 351.454 3.142 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000164316626 496604260 /nfs/dbraw/zinc/60/42/60/496604260.db2.gz YMMQEZOASOGJCP-WMZOPIPTSA-N 1 2 351.454 3.142 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000158080874 496623203 /nfs/dbraw/zinc/62/32/03/496623203.db2.gz CDYWUZKJKQFZHY-KZNAEPCWSA-N 1 2 353.384 3.325 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000158080874 496623211 /nfs/dbraw/zinc/62/32/11/496623211.db2.gz CDYWUZKJKQFZHY-KZNAEPCWSA-N 1 2 353.384 3.325 20 30 FGEDLO C=CCC[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000185051425 496638138 /nfs/dbraw/zinc/63/81/38/496638138.db2.gz YGZKCEVTHCGPBX-IBGZPJMESA-N 1 2 365.481 3.324 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158176031 496643709 /nfs/dbraw/zinc/64/37/09/496643709.db2.gz XTMBHCUQVONFLV-UHFFFAOYSA-N 1 2 367.449 3.022 20 30 FGEDLO CC(=O)c1ccccc1OCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000176151935 496706035 /nfs/dbraw/zinc/70/60/35/496706035.db2.gz QMZGWOZRZNZLNT-OAQYLSRUSA-N 1 2 363.461 3.150 20 30 FGEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185246615 496716121 /nfs/dbraw/zinc/71/61/21/496716121.db2.gz DGMCUQDWYQKWDJ-PBHICJAKSA-N 1 2 370.453 3.079 20 30 FGEDLO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185246594 496716599 /nfs/dbraw/zinc/71/65/99/496716599.db2.gz DGMCUQDWYQKWDJ-YOEHRIQHSA-N 1 2 370.453 3.079 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(C#N)c1C ZINC000185311737 496727736 /nfs/dbraw/zinc/72/77/36/496727736.db2.gz WAIYTGAVKIQXKA-CYBMUJFWSA-N 1 2 359.376 3.474 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(C#N)c1C ZINC000185311737 496727738 /nfs/dbraw/zinc/72/77/38/496727738.db2.gz WAIYTGAVKIQXKA-CYBMUJFWSA-N 1 2 359.376 3.474 20 30 FGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264098149 496810566 /nfs/dbraw/zinc/81/05/66/496810566.db2.gz HCFWUEPENVWGQZ-HNNXBMFYSA-N 1 2 358.463 3.185 20 30 FGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264098149 496810576 /nfs/dbraw/zinc/81/05/76/496810576.db2.gz HCFWUEPENVWGQZ-HNNXBMFYSA-N 1 2 358.463 3.185 20 30 FGEDLO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000264166021 496826382 /nfs/dbraw/zinc/82/63/82/496826382.db2.gz XKCMLQHHFLYHPF-OAHLLOKOSA-N 1 2 369.490 3.340 20 30 FGEDLO C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000264275760 496859111 /nfs/dbraw/zinc/85/91/11/496859111.db2.gz OHJDQDYGXPBGIH-IAGOWNOFSA-N 1 2 363.461 3.064 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247666903 496903242 /nfs/dbraw/zinc/90/32/42/496903242.db2.gz QNJOCIABMANVBR-HQRMLTQVSA-N 1 2 366.465 3.268 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1F ZINC000191887813 496920655 /nfs/dbraw/zinc/92/06/55/496920655.db2.gz RBWBGRYNXJRBRK-UHFFFAOYSA-N 1 2 352.388 3.026 20 30 FGEDLO Cc1cc(N2CCN(Cc3ccc(C#N)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000191922898 496932610 /nfs/dbraw/zinc/93/26/10/496932610.db2.gz KSTFYNAHQHLSFC-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C[C@]([NH2+]Cc1ccc(C#N)c(F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000192114435 496998799 /nfs/dbraw/zinc/99/87/99/496998799.db2.gz DQIFNOKDQNOPJU-QGZVFWFLSA-N 1 2 365.330 3.206 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 ZINC000270211200 497078357 /nfs/dbraw/zinc/07/83/57/497078357.db2.gz GFQMGUNOEZXXRO-UHFFFAOYSA-N 1 2 363.461 3.109 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189513014 497144919 /nfs/dbraw/zinc/14/49/19/497144919.db2.gz IIAHWOCYFHTEKJ-AWEZNQCLSA-N 1 2 362.417 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189513014 497144925 /nfs/dbraw/zinc/14/49/25/497144925.db2.gz IIAHWOCYFHTEKJ-AWEZNQCLSA-N 1 2 362.417 3.148 20 30 FGEDLO N#CCc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000192839611 497227688 /nfs/dbraw/zinc/22/76/88/497227688.db2.gz VDDNFQBYZZYKSW-KRWDZBQOSA-N 1 2 370.478 3.009 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000271836532 497465059 /nfs/dbraw/zinc/46/50/59/497465059.db2.gz VFSZWGFTGIFMCU-UHFFFAOYSA-N 1 2 360.373 3.116 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000276079602 497493664 /nfs/dbraw/zinc/49/36/64/497493664.db2.gz LZZJCXNLFISWGB-UHFFFAOYSA-N 1 2 364.449 3.002 20 30 FGEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000190669000 497565760 /nfs/dbraw/zinc/56/57/60/497565760.db2.gz WGTNGDHTVMVZNO-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO CCc1nnc(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)[nH]1 ZINC000190669000 497565763 /nfs/dbraw/zinc/56/57/63/497565763.db2.gz WGTNGDHTVMVZNO-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO CCc1nc(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n[nH]1 ZINC000190669000 497565767 /nfs/dbraw/zinc/56/57/67/497565767.db2.gz WGTNGDHTVMVZNO-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)cs3)CCCC2)no1 ZINC000267809034 497621520 /nfs/dbraw/zinc/62/15/20/497621520.db2.gz ZIZDHWYWOPIILT-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000575120185 505925628 /nfs/dbraw/zinc/92/56/28/505925628.db2.gz MQTSPZZIVJCFFA-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000575120185 505925630 /nfs/dbraw/zinc/92/56/30/505925630.db2.gz MQTSPZZIVJCFFA-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280404088 497743098 /nfs/dbraw/zinc/74/30/98/497743098.db2.gz VTWHEWRODMBGFV-UHFFFAOYSA-N 1 2 366.465 3.051 20 30 FGEDLO Cc1ccnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000272930055 497763801 /nfs/dbraw/zinc/76/38/01/497763801.db2.gz JVPZRXYDLYNCAJ-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263695008 497809003 /nfs/dbraw/zinc/80/90/03/497809003.db2.gz KMCNTKZXEJYZIF-AWEZNQCLSA-N 1 2 370.478 3.297 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000263695008 497809004 /nfs/dbraw/zinc/80/90/04/497809004.db2.gz KMCNTKZXEJYZIF-AWEZNQCLSA-N 1 2 370.478 3.297 20 30 FGEDLO Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000329542671 497824638 /nfs/dbraw/zinc/82/46/38/497824638.db2.gz XXRJCKIJXQEDPC-STQMWFEESA-N 1 2 370.453 3.374 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000288559438 497831471 /nfs/dbraw/zinc/83/14/71/497831471.db2.gz VTZZOZQNLMXWET-APWZRJJASA-N 1 2 354.454 3.241 20 30 FGEDLO COc1ccc2ccccc2c1-c1cc(CO[NH+]=C(N)[C@H]2CCCO2)on1 ZINC000284589333 497837735 /nfs/dbraw/zinc/83/77/35/497837735.db2.gz XVNUDADAYAADON-GOSISDBHSA-N 1 2 367.405 3.471 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000329710544 497877152 /nfs/dbraw/zinc/87/71/52/497877152.db2.gz MHXPSECCHKGKIL-BXUZGUMPSA-N 1 2 356.392 3.236 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000329710544 497877155 /nfs/dbraw/zinc/87/71/55/497877155.db2.gz MHXPSECCHKGKIL-BXUZGUMPSA-N 1 2 356.392 3.236 20 30 FGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753205 497889619 /nfs/dbraw/zinc/88/96/19/497889619.db2.gz WQFKAISRYBWWTH-VFVRVIDISA-N 1 2 374.872 3.296 20 30 FGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753205 497889625 /nfs/dbraw/zinc/88/96/25/497889625.db2.gz WQFKAISRYBWWTH-VFVRVIDISA-N 1 2 374.872 3.296 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000299694179 497898069 /nfs/dbraw/zinc/89/80/69/497898069.db2.gz UVLAPHMGJKIWCX-CQSZACIVSA-N 1 2 367.453 3.271 20 30 FGEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)C1 ZINC000329810669 497909626 /nfs/dbraw/zinc/90/96/26/497909626.db2.gz MMRBCQPGFCTDSD-QZTJIDSGSA-N 1 2 371.529 3.400 20 30 FGEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)C1 ZINC000329810669 497909634 /nfs/dbraw/zinc/90/96/34/497909634.db2.gz MMRBCQPGFCTDSD-QZTJIDSGSA-N 1 2 371.529 3.400 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000329851670 497928010 /nfs/dbraw/zinc/92/80/10/497928010.db2.gz QYPPVTCVBSRYLG-CTNGQTDRSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000329851670 497928015 /nfs/dbraw/zinc/92/80/15/497928015.db2.gz QYPPVTCVBSRYLG-CTNGQTDRSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000284916844 497941666 /nfs/dbraw/zinc/94/16/66/497941666.db2.gz BOCVTVOCWZEBGP-UHFFFAOYSA-N 1 2 364.424 3.450 20 30 FGEDLO CC1(C)[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)[C@@H]2CCCO[C@H]21 ZINC000329913562 497950874 /nfs/dbraw/zinc/95/08/74/497950874.db2.gz XLUJBGVEDXCDRZ-IPMKNSEASA-N 1 2 358.482 3.027 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000301101644 497952071 /nfs/dbraw/zinc/95/20/71/497952071.db2.gz KJUVOKIVGVNDAO-BETUJISGSA-N 1 2 358.392 3.457 20 30 FGEDLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCO2 ZINC000329937990 497961083 /nfs/dbraw/zinc/96/10/83/497961083.db2.gz ABEAIZLUFPLSBB-FQEVSTJZSA-N 1 2 352.390 3.135 20 30 FGEDLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCO2 ZINC000329937990 497961085 /nfs/dbraw/zinc/96/10/85/497961085.db2.gz ABEAIZLUFPLSBB-FQEVSTJZSA-N 1 2 352.390 3.135 20 30 FGEDLO CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329956908 497970016 /nfs/dbraw/zinc/97/00/16/497970016.db2.gz PEUZOOGAWKVHPJ-UHFFFAOYSA-N 1 2 351.454 3.496 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329975962 497977773 /nfs/dbraw/zinc/97/77/73/497977773.db2.gz YHGRMCMWAUTWFD-SFHVURJKSA-N 1 2 369.513 3.289 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2nccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000301192416 497991951 /nfs/dbraw/zinc/99/19/51/497991951.db2.gz MIUOTCQZSDYKOQ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2nccnc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000301192416 497991957 /nfs/dbraw/zinc/99/19/57/497991957.db2.gz MIUOTCQZSDYKOQ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000364534545 498008594 /nfs/dbraw/zinc/00/85/94/498008594.db2.gz XTXXKSSVRHYUQY-HNNXBMFYSA-N 1 2 366.465 3.193 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000364534545 498008598 /nfs/dbraw/zinc/00/85/98/498008598.db2.gz XTXXKSSVRHYUQY-HNNXBMFYSA-N 1 2 366.465 3.193 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@@]2(CCOC2)O1 ZINC000330085592 498016263 /nfs/dbraw/zinc/01/62/63/498016263.db2.gz RLQDWVUDVCASTL-DENIHFKCSA-N 1 2 374.525 3.381 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@@]2(CCOC2)O1 ZINC000330085592 498016266 /nfs/dbraw/zinc/01/62/66/498016266.db2.gz RLQDWVUDVCASTL-DENIHFKCSA-N 1 2 374.525 3.381 20 30 FGEDLO Cc1nc2c(cc(OC[C@H](O)C[N@H+](C)CCC#N)c3ccsc32)s1 ZINC000569570666 505967613 /nfs/dbraw/zinc/96/76/13/505967613.db2.gz CAHLGQBXMXZOKP-GFCCVEGCSA-N 1 2 361.492 3.405 20 30 FGEDLO Cc1nc2c(cc(OC[C@H](O)C[N@@H+](C)CCC#N)c3ccsc32)s1 ZINC000569570666 505967614 /nfs/dbraw/zinc/96/76/14/505967614.db2.gz CAHLGQBXMXZOKP-GFCCVEGCSA-N 1 2 361.492 3.405 20 30 FGEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000301290860 498041978 /nfs/dbraw/zinc/04/19/78/498041978.db2.gz WNMIOKROQUAWMS-UHFFFAOYSA-N 1 2 374.916 3.029 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@]2(CCOC2)O1 ZINC000330156072 498043030 /nfs/dbraw/zinc/04/30/30/498043030.db2.gz OMEJCEITJOBFHT-ZOCZFRKYSA-N 1 2 369.465 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@]2(CCOC2)O1 ZINC000330156072 498043037 /nfs/dbraw/zinc/04/30/37/498043037.db2.gz OMEJCEITJOBFHT-ZOCZFRKYSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCOC2)O1 ZINC000330164645 498046109 /nfs/dbraw/zinc/04/61/09/498046109.db2.gz WENOTAAJNUGSAZ-GCJKJVERSA-N 1 2 372.509 3.335 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCOC2)O1 ZINC000330164645 498046115 /nfs/dbraw/zinc/04/61/15/498046115.db2.gz WENOTAAJNUGSAZ-GCJKJVERSA-N 1 2 372.509 3.335 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000330272106 498087487 /nfs/dbraw/zinc/08/74/87/498087487.db2.gz XCCHHONDCPHOKW-ZIAGYGMSSA-N 1 2 350.532 3.237 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)n2)c(F)c1 ZINC000569612957 505976607 /nfs/dbraw/zinc/97/66/07/505976607.db2.gz AZGUGNNTZWLKCL-UHFFFAOYSA-N 1 2 358.380 3.103 20 30 FGEDLO C#CCOCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000292651139 498094726 /nfs/dbraw/zinc/09/47/26/498094726.db2.gz KFVOPPLRHCSZSB-UHFFFAOYSA-N 1 2 360.458 3.092 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330345282 498112985 /nfs/dbraw/zinc/11/29/85/498112985.db2.gz DZQFONDCVMJQAU-AWEZNQCLSA-N 1 2 367.375 3.353 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330346080 498113025 /nfs/dbraw/zinc/11/30/25/498113025.db2.gz FZIYOKVOUCDNAA-KRWDZBQOSA-N 1 2 355.486 3.459 20 30 FGEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285567834 498132746 /nfs/dbraw/zinc/13/27/46/498132746.db2.gz TXTLBYWCQNELRC-CYBMUJFWSA-N 1 2 356.401 3.106 20 30 FGEDLO N#CC1(CCCO[NH+]=C(N)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000281397290 498135952 /nfs/dbraw/zinc/13/59/52/498135952.db2.gz QGBBQLBEGRSBPW-UHFFFAOYSA-N 1 2 355.360 3.443 20 30 FGEDLO Cc1c(C#N)c(NCc2ccc[nH+]c2N2CCOCC2)nc2ccccc12 ZINC000296675460 498148190 /nfs/dbraw/zinc/14/81/90/498148190.db2.gz ZYESWDNCJZTOLW-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289453728 498153271 /nfs/dbraw/zinc/15/32/71/498153271.db2.gz FWQCXJFQGVOXKI-WMZOPIPTSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289453728 498153272 /nfs/dbraw/zinc/15/32/72/498153272.db2.gz FWQCXJFQGVOXKI-WMZOPIPTSA-N 1 2 359.857 3.184 20 30 FGEDLO Cc1cc(NC(=O)N(C)C[C@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@@H]1C ZINC000330769361 498189830 /nfs/dbraw/zinc/18/98/30/498189830.db2.gz AHGXXUNXQROLJQ-JSGCOSHPSA-N 1 2 374.407 3.169 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC(C(F)(F)F)CC1 ZINC000330934482 498220223 /nfs/dbraw/zinc/22/02/23/498220223.db2.gz IYCGNYWHHYOGEQ-UHFFFAOYSA-N 1 2 358.286 3.134 20 30 FGEDLO Cn1c2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2[nH+]c1C1CC1 ZINC000289628669 498222823 /nfs/dbraw/zinc/22/28/23/498222823.db2.gz MHLLERHNVMTFOX-UHFFFAOYSA-N 1 2 374.444 3.212 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000330946979 498223380 /nfs/dbraw/zinc/22/33/80/498223380.db2.gz LNJITDGIFKYCTB-NHYWBVRUSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000330946979 498223383 /nfs/dbraw/zinc/22/33/83/498223383.db2.gz LNJITDGIFKYCTB-NHYWBVRUSA-N 1 2 372.332 3.385 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360108007 498247709 /nfs/dbraw/zinc/24/77/09/498247709.db2.gz PLZHMOUWTVGSEI-GDBMZVCRSA-N 1 2 374.510 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360108007 498247716 /nfs/dbraw/zinc/24/77/16/498247716.db2.gz PLZHMOUWTVGSEI-GDBMZVCRSA-N 1 2 374.510 3.222 20 30 FGEDLO CC(=O)c1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nc1C ZINC000331145678 498262003 /nfs/dbraw/zinc/26/20/03/498262003.db2.gz SEBBMOQAMRELRQ-BETUJISGSA-N 1 2 361.486 3.093 20 30 FGEDLO CC(=O)c1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nc1C ZINC000331145678 498262007 /nfs/dbraw/zinc/26/20/07/498262007.db2.gz SEBBMOQAMRELRQ-BETUJISGSA-N 1 2 361.486 3.093 20 30 FGEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000572597198 506007907 /nfs/dbraw/zinc/00/79/07/506007907.db2.gz BXYNJMVBJROREP-AWEZNQCLSA-N 1 2 357.889 3.198 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286058463 498280558 /nfs/dbraw/zinc/28/05/58/498280558.db2.gz LSLJTPHRKRHEBP-INIZCTEOSA-N 1 2 363.259 3.004 20 30 FGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293541224 498408464 /nfs/dbraw/zinc/40/84/64/498408464.db2.gz QHMSUBOATNUAGS-STQMWFEESA-N 1 2 352.265 3.443 20 30 FGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293541214 498408490 /nfs/dbraw/zinc/40/84/90/498408490.db2.gz QHMSUBOATNUAGS-OLZOCXBDSA-N 1 2 352.265 3.443 20 30 FGEDLO Cc1ccc([C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000302203059 498441743 /nfs/dbraw/zinc/44/17/43/498441743.db2.gz IMOUFOPJRRWMND-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000365548014 498526306 /nfs/dbraw/zinc/52/63/06/498526306.db2.gz BKODKKABRGLXMG-SFHVURJKSA-N 1 2 366.465 3.247 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282531011 498548355 /nfs/dbraw/zinc/54/83/55/498548355.db2.gz LRQJJMKPYLHHCO-GOSISDBHSA-N 1 2 363.465 3.180 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282588199 498572283 /nfs/dbraw/zinc/57/22/83/498572283.db2.gz PPJSMTAFSSIQHL-LJQANCHMSA-N 1 2 362.477 3.160 20 30 FGEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000287008700 498590207 /nfs/dbraw/zinc/59/02/07/498590207.db2.gz LYICIALNDCZEPI-UHFFFAOYSA-N 1 2 363.461 3.186 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)cn1 ZINC000365752763 498624784 /nfs/dbraw/zinc/62/47/84/498624784.db2.gz ISERGTRWRNHELO-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CC(C)c1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000332302139 498642031 /nfs/dbraw/zinc/64/20/31/498642031.db2.gz LRGAQYVIQFXOMH-UHFFFAOYSA-N 1 2 369.494 3.488 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000366070693 498761082 /nfs/dbraw/zinc/76/10/82/498761082.db2.gz BFEDVQRNLUHWDE-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000366070693 498761089 /nfs/dbraw/zinc/76/10/89/498761089.db2.gz BFEDVQRNLUHWDE-KRWDZBQOSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000366070694 498761742 /nfs/dbraw/zinc/76/17/42/498761742.db2.gz BFEDVQRNLUHWDE-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000366070694 498761745 /nfs/dbraw/zinc/76/17/45/498761745.db2.gz BFEDVQRNLUHWDE-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000366106753 498778624 /nfs/dbraw/zinc/77/86/24/498778624.db2.gz FKDPTQFJIXMINS-WMZOPIPTSA-N 1 2 370.522 3.152 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000366106753 498778630 /nfs/dbraw/zinc/77/86/30/498778630.db2.gz FKDPTQFJIXMINS-WMZOPIPTSA-N 1 2 370.522 3.152 20 30 FGEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000314910199 498779998 /nfs/dbraw/zinc/77/99/98/498779998.db2.gz IVAGLIGWRZAAQR-CYBMUJFWSA-N 1 2 351.244 3.096 20 30 FGEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000314910199 498780008 /nfs/dbraw/zinc/78/00/08/498780008.db2.gz IVAGLIGWRZAAQR-CYBMUJFWSA-N 1 2 351.244 3.096 20 30 FGEDLO CCOC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1cccc(C)c1C ZINC000573007627 506098407 /nfs/dbraw/zinc/09/84/07/506098407.db2.gz GUNBURKRKWCCPZ-HXUWFJFHSA-N 1 2 362.433 3.217 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000581953337 506098635 /nfs/dbraw/zinc/09/86/35/506098635.db2.gz LUFDVFRODYSYPU-LBPRGKRZSA-N 1 2 353.260 3.293 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000298730783 498862336 /nfs/dbraw/zinc/86/23/36/498862336.db2.gz HEZQRVFJRYKUID-INIZCTEOSA-N 1 2 373.460 3.480 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000298730783 498862340 /nfs/dbraw/zinc/86/23/40/498862340.db2.gz HEZQRVFJRYKUID-INIZCTEOSA-N 1 2 373.460 3.480 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(I)cc1Cl ZINC000581978561 506104668 /nfs/dbraw/zinc/10/46/68/506104668.db2.gz CLHNNCRHOCYQEA-JTQLQIEISA-N 1 2 373.625 3.478 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000579156570 506105885 /nfs/dbraw/zinc/10/58/85/506105885.db2.gz KQCZOOGRZYFMPF-OAHLLOKOSA-N 1 2 362.433 3.417 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000579156570 506105888 /nfs/dbraw/zinc/10/58/88/506105888.db2.gz KQCZOOGRZYFMPF-OAHLLOKOSA-N 1 2 362.433 3.417 20 30 FGEDLO CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1c(C)nn(C)c1C ZINC000328636417 498883367 /nfs/dbraw/zinc/88/33/67/498883367.db2.gz AICIRYAIAQBUAC-CVEARBPZSA-N 1 2 358.490 3.074 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3cccc(F)c3)C1)CCC2 ZINC000328654817 498891438 /nfs/dbraw/zinc/89/14/38/498891438.db2.gz MCTJHOICTCPKPB-FUHWJXTLSA-N 1 2 372.444 3.196 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)CCC2 ZINC000328658632 498893511 /nfs/dbraw/zinc/89/35/11/498893511.db2.gz RKRYYIPXAMCMAD-GJZGRUSLSA-N 1 2 372.473 3.326 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)CCC2 ZINC000328660870 498894821 /nfs/dbraw/zinc/89/48/21/498894821.db2.gz WCXVBYZMQNZSTG-KANFNMMFSA-N 1 2 350.466 3.158 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)CCC2 ZINC000328660870 498894822 /nfs/dbraw/zinc/89/48/22/498894822.db2.gz WCXVBYZMQNZSTG-KANFNMMFSA-N 1 2 350.466 3.158 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2n1C ZINC000366383345 498902909 /nfs/dbraw/zinc/90/29/09/498902909.db2.gz YNKMPHOKKUBRBI-UHFFFAOYSA-N 1 2 374.444 3.437 20 30 FGEDLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328770008 498932956 /nfs/dbraw/zinc/93/29/56/498932956.db2.gz IUQGDNICKWSDTA-RDTXWAMCSA-N 1 2 373.888 3.357 20 30 FGEDLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328770008 498932959 /nfs/dbraw/zinc/93/29/59/498932959.db2.gz IUQGDNICKWSDTA-RDTXWAMCSA-N 1 2 373.888 3.357 20 30 FGEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1 ZINC000328791343 498940606 /nfs/dbraw/zinc/94/06/06/498940606.db2.gz QTNNLVWAQLPEER-JZXOWHBKSA-N 1 2 358.486 3.116 20 30 FGEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CCCCC1 ZINC000328791343 498940611 /nfs/dbraw/zinc/94/06/11/498940611.db2.gz QTNNLVWAQLPEER-JZXOWHBKSA-N 1 2 358.486 3.116 20 30 FGEDLO C=C(CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000288083676 498940973 /nfs/dbraw/zinc/94/09/73/498940973.db2.gz SDPMKGJLONHGMM-UHFFFAOYSA-N 1 2 356.495 3.074 20 30 FGEDLO C=C(CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000288083676 498940980 /nfs/dbraw/zinc/94/09/80/498940980.db2.gz SDPMKGJLONHGMM-UHFFFAOYSA-N 1 2 356.495 3.074 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000328822948 498949659 /nfs/dbraw/zinc/94/96/59/498949659.db2.gz GKCNSDVRIUJDGO-ZDUSSCGKSA-N 1 2 372.425 3.389 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)no1 ZINC000328822948 498949665 /nfs/dbraw/zinc/94/96/65/498949665.db2.gz GKCNSDVRIUJDGO-ZDUSSCGKSA-N 1 2 372.425 3.389 20 30 FGEDLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1nc(C2CCCCC2)no1 ZINC000328870468 498968244 /nfs/dbraw/zinc/96/82/44/498968244.db2.gz PORKGJBWUNWAMH-DZGCQCFKSA-N 1 2 372.473 3.315 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000328882533 498972301 /nfs/dbraw/zinc/97/23/01/498972301.db2.gz XFBLUYCAUGYATC-IUODEOHRSA-N 1 2 360.845 3.301 20 30 FGEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCC23CCCCC3)nc[nH+]1 ZINC000328893380 498976435 /nfs/dbraw/zinc/97/64/35/498976435.db2.gz VAOHUOUWLQBUPZ-INIZCTEOSA-N 1 2 372.517 3.200 20 30 FGEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCC23CCCCC3)[nH+]cn1 ZINC000328893380 498976444 /nfs/dbraw/zinc/97/64/44/498976444.db2.gz VAOHUOUWLQBUPZ-INIZCTEOSA-N 1 2 372.517 3.200 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000328956790 498999256 /nfs/dbraw/zinc/99/92/56/498999256.db2.gz ZJEOBZHBGRQKMA-PNBKFKSVSA-N 1 2 359.470 3.157 20 30 FGEDLO Cc1cc(NC(=O)[C@H]2CCc3nncn3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000328965428 499001113 /nfs/dbraw/zinc/00/11/13/499001113.db2.gz MIIROXOMKPWRBD-CABCVRRESA-N 1 2 354.458 3.211 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000299253834 499006567 /nfs/dbraw/zinc/00/65/67/499006567.db2.gz APHJDPFCDSFOBC-KRWDZBQOSA-N 1 2 365.477 3.242 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000328996082 499009513 /nfs/dbraw/zinc/00/95/13/499009513.db2.gz JTPFEFBJPMGQQT-OAHLLOKOSA-N 1 2 363.527 3.113 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329025408 499018775 /nfs/dbraw/zinc/01/87/75/499018775.db2.gz JKUXZWNYOXCECG-ZYHUDNBSSA-N 1 2 361.833 3.461 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329025408 499018782 /nfs/dbraw/zinc/01/87/82/499018782.db2.gz JKUXZWNYOXCECG-ZYHUDNBSSA-N 1 2 361.833 3.461 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329046758 499025932 /nfs/dbraw/zinc/02/59/32/499025932.db2.gz VDVSWKOSJZBBAC-MSOLQXFVSA-N 1 2 358.486 3.479 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329046758 499025936 /nfs/dbraw/zinc/02/59/36/499025936.db2.gz VDVSWKOSJZBBAC-MSOLQXFVSA-N 1 2 358.486 3.479 20 30 FGEDLO CN1CC[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1=O ZINC000329081825 499036171 /nfs/dbraw/zinc/03/61/71/499036171.db2.gz DGQUSXBCXKZILY-CQSZACIVSA-N 1 2 352.438 3.343 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C[C@H](C)O1 ZINC000329081523 499036405 /nfs/dbraw/zinc/03/64/05/499036405.db2.gz DDIIJNJAVAYGIE-BTTYYORXSA-N 1 2 358.442 3.191 20 30 FGEDLO Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC000329087391 499038192 /nfs/dbraw/zinc/03/81/92/499038192.db2.gz VCVQSRTTYTZJHE-YLJYHZDGSA-N 1 2 366.465 3.236 20 30 FGEDLO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(c4ncccc4C#N)CC3)o2)c1 ZINC000363917597 499052371 /nfs/dbraw/zinc/05/23/71/499052371.db2.gz LXJZYVSRUBVYEW-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000329141067 499053400 /nfs/dbraw/zinc/05/34/00/499053400.db2.gz JYUAQMXAZAYPAI-NVXWUHKLSA-N 1 2 367.453 3.031 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@]3(C)CCCOC3)n2)C1 ZINC000329162907 499060579 /nfs/dbraw/zinc/06/05/79/499060579.db2.gz ZXZAGGHOMTXRHS-GUYCJALGSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@]3(C)CCCOC3)n2)C1 ZINC000329162907 499060582 /nfs/dbraw/zinc/06/05/82/499060582.db2.gz ZXZAGGHOMTXRHS-GUYCJALGSA-N 1 2 352.504 3.079 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000299465462 499066520 /nfs/dbraw/zinc/06/65/20/499066520.db2.gz SMTUGRNQGZMZIG-HNNXBMFYSA-N 1 2 352.438 3.481 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333819204 499082022 /nfs/dbraw/zinc/08/20/22/499082022.db2.gz HFDJNTWYLWCKMF-AWEZNQCLSA-N 1 2 373.522 3.207 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333819204 499082025 /nfs/dbraw/zinc/08/20/25/499082025.db2.gz HFDJNTWYLWCKMF-AWEZNQCLSA-N 1 2 373.522 3.207 20 30 FGEDLO CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000295709198 499085876 /nfs/dbraw/zinc/08/58/76/499085876.db2.gz RNTIHOZXGFLFQK-UHFFFAOYSA-N 1 2 369.494 3.384 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)c[nH+]2)C[C@@H](C)O1 ZINC000329258217 499085858 /nfs/dbraw/zinc/08/58/58/499085858.db2.gz YIAWYLGLCKDXIS-INMHGKMJSA-N 1 2 374.485 3.298 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000329325156 499099747 /nfs/dbraw/zinc/09/97/47/499099747.db2.gz IONRAKFFERYXPQ-PKOBYXMFSA-N 1 2 374.529 3.267 20 30 FGEDLO N#Cc1cccc(-c2c[nH+]c(CNc3nc4sccn4c3[N+](=O)[O-])[nH]2)c1 ZINC000364091998 499113695 /nfs/dbraw/zinc/11/36/95/499113695.db2.gz ICVYULIELZMVKV-UHFFFAOYSA-N 1 2 365.378 3.178 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000329459786 499124836 /nfs/dbraw/zinc/12/48/36/499124836.db2.gz RTSITWUVUKYFIZ-OAHLLOKOSA-N 1 2 366.469 3.421 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000366985063 499126604 /nfs/dbraw/zinc/12/66/04/499126604.db2.gz XGCAMLULABCJDV-OAHLLOKOSA-N 1 2 350.532 3.278 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000366985063 499126607 /nfs/dbraw/zinc/12/66/07/499126607.db2.gz XGCAMLULABCJDV-OAHLLOKOSA-N 1 2 350.532 3.278 20 30 FGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329533538 499129441 /nfs/dbraw/zinc/12/94/41/499129441.db2.gz YEHZCNOKHHVUKW-ROUUACIJSA-N 1 2 350.503 3.468 20 30 FGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329533538 499129442 /nfs/dbraw/zinc/12/94/42/499129442.db2.gz YEHZCNOKHHVUKW-ROUUACIJSA-N 1 2 350.503 3.468 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000372537281 499142201 /nfs/dbraw/zinc/14/22/01/499142201.db2.gz HWWBWHIAAVUJQU-DOTOQJQBSA-N 1 2 363.506 3.119 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000372537281 499142202 /nfs/dbraw/zinc/14/22/02/499142202.db2.gz HWWBWHIAAVUJQU-DOTOQJQBSA-N 1 2 363.506 3.119 20 30 FGEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811506 499178941 /nfs/dbraw/zinc/17/89/41/499178941.db2.gz GJGPCSRADXBASP-HXUWFJFHSA-N 1 2 350.466 3.371 20 30 FGEDLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811506 499178946 /nfs/dbraw/zinc/17/89/46/499178946.db2.gz GJGPCSRADXBASP-HXUWFJFHSA-N 1 2 350.466 3.371 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367413607 499196141 /nfs/dbraw/zinc/19/61/41/499196141.db2.gz UPOCKNRWRYYJTE-OAHLLOKOSA-N 1 2 360.417 3.042 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3Cc4ccccc4[C@H](n4cccn4)C3)n2c1 ZINC000367466923 499202224 /nfs/dbraw/zinc/20/22/24/499202224.db2.gz DTMLVSDGCXKVJQ-HXUWFJFHSA-N 1 2 354.417 3.008 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3Cc4ccccc4[C@H](n4cccn4)C3)n2c1 ZINC000367466923 499202225 /nfs/dbraw/zinc/20/22/25/499202225.db2.gz DTMLVSDGCXKVJQ-HXUWFJFHSA-N 1 2 354.417 3.008 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCC2 ZINC000367526484 499209186 /nfs/dbraw/zinc/20/91/86/499209186.db2.gz IFEBQZBQOPNXDR-OAHLLOKOSA-N 1 2 354.429 3.174 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000370481956 499224734 /nfs/dbraw/zinc/22/47/34/499224734.db2.gz ALXGSBRMMSAYGD-MGPUTAFESA-N 1 2 353.372 3.470 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000370481956 499224735 /nfs/dbraw/zinc/22/47/35/499224735.db2.gz ALXGSBRMMSAYGD-MGPUTAFESA-N 1 2 353.372 3.470 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000367999821 499253703 /nfs/dbraw/zinc/25/37/03/499253703.db2.gz WDWNONLYLZTMPR-QUCCMNQESA-N 1 2 358.449 3.024 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1)OCC ZINC000371066362 499285508 /nfs/dbraw/zinc/28/55/08/499285508.db2.gz ZWBHCIYCQUBKRS-PKOBYXMFSA-N 1 2 357.454 3.006 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000368873872 499342156 /nfs/dbraw/zinc/34/21/56/499342156.db2.gz AFGOJVFZUJBINB-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000368873872 499342157 /nfs/dbraw/zinc/34/21/57/499342157.db2.gz AFGOJVFZUJBINB-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371735222 499359890 /nfs/dbraw/zinc/35/98/90/499359890.db2.gz RFZPQQFHFQPKGM-XQAQDONZSA-N 1 2 368.403 3.040 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371735222 499359892 /nfs/dbraw/zinc/35/98/92/499359892.db2.gz RFZPQQFHFQPKGM-XQAQDONZSA-N 1 2 368.403 3.040 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371735221 499359909 /nfs/dbraw/zinc/35/99/09/499359909.db2.gz RFZPQQFHFQPKGM-XNJJOIOASA-N 1 2 368.403 3.040 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371735221 499359910 /nfs/dbraw/zinc/35/99/10/499359910.db2.gz RFZPQQFHFQPKGM-XNJJOIOASA-N 1 2 368.403 3.040 20 30 FGEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000371843667 499370979 /nfs/dbraw/zinc/37/09/79/499370979.db2.gz AWBPEXPOKWVYAP-GOSISDBHSA-N 1 2 363.465 3.437 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)sc2c1CCCCC2 ZINC000369537574 499414429 /nfs/dbraw/zinc/41/44/29/499414429.db2.gz RZLJRHCLPXKXMI-HZPDHXFCSA-N 1 2 359.495 3.080 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]3OCC[C@H]32)sc2c1CCCCC2 ZINC000369537574 499414431 /nfs/dbraw/zinc/41/44/31/499414431.db2.gz RZLJRHCLPXKXMI-HZPDHXFCSA-N 1 2 359.495 3.080 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000372455229 499437124 /nfs/dbraw/zinc/43/71/24/499437124.db2.gz NUYXFCDUMZUFRJ-ZWKOTPCHSA-N 1 2 368.437 3.050 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000372455229 499437125 /nfs/dbraw/zinc/43/71/25/499437125.db2.gz NUYXFCDUMZUFRJ-ZWKOTPCHSA-N 1 2 368.437 3.050 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372942060 499444013 /nfs/dbraw/zinc/44/40/13/499444013.db2.gz IMEZXTUBWVJRRH-UHFFFAOYSA-N 1 2 356.401 3.034 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373106961 499451829 /nfs/dbraw/zinc/45/18/29/499451829.db2.gz OGXKWXDIGAJABD-OAHLLOKOSA-N 1 2 353.426 3.102 20 30 FGEDLO Cc1n[nH]cc1C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000375350014 499509847 /nfs/dbraw/zinc/50/98/47/499509847.db2.gz RSEFPXDPUBFIGS-CYBMUJFWSA-N 1 2 355.442 3.006 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595308 499536134 /nfs/dbraw/zinc/53/61/34/499536134.db2.gz GVSVSTARJDWJFW-QZTJIDSGSA-N 1 2 350.466 3.309 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595308 499536136 /nfs/dbraw/zinc/53/61/36/499536136.db2.gz GVSVSTARJDWJFW-QZTJIDSGSA-N 1 2 350.466 3.309 20 30 FGEDLO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000394164248 499561274 /nfs/dbraw/zinc/56/12/74/499561274.db2.gz PUNCFJWMKRCGLE-QGZVFWFLSA-N 1 2 356.857 3.228 20 30 FGEDLO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)cc1C#N ZINC000394164248 499561275 /nfs/dbraw/zinc/56/12/75/499561275.db2.gz PUNCFJWMKRCGLE-QGZVFWFLSA-N 1 2 356.857 3.228 20 30 FGEDLO CC(C)(C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000376110902 499583653 /nfs/dbraw/zinc/58/36/53/499583653.db2.gz BZBJLUHTSYJUAB-GOSISDBHSA-N 1 2 366.440 3.155 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(-c2ccc(F)cc2)no1 ZINC000376843003 499640065 /nfs/dbraw/zinc/64/00/65/499640065.db2.gz OVCKESNXOFFHNL-JTQLQIEISA-N 1 2 371.397 3.098 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000410422913 499661954 /nfs/dbraw/zinc/66/19/54/499661954.db2.gz QMOQWIJSTHMHMO-NRFANRHFSA-N 1 2 363.436 3.486 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000410422913 499661957 /nfs/dbraw/zinc/66/19/57/499661957.db2.gz QMOQWIJSTHMHMO-NRFANRHFSA-N 1 2 363.436 3.486 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(C4CC4)c3)CC2)cc1 ZINC000411125625 499700583 /nfs/dbraw/zinc/70/05/83/499700583.db2.gz LGVHBYJUBRADOS-UHFFFAOYSA-N 1 2 359.473 3.323 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411130818 499701042 /nfs/dbraw/zinc/70/10/42/499701042.db2.gz HCANYCRCFIQWGN-HNNXBMFYSA-N 1 2 364.902 3.319 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000411130818 499701044 /nfs/dbraw/zinc/70/10/44/499701044.db2.gz HCANYCRCFIQWGN-HNNXBMFYSA-N 1 2 364.902 3.319 20 30 FGEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000411143814 499702521 /nfs/dbraw/zinc/70/25/21/499702521.db2.gz ZIUNTDLUNZQTSK-IRXDYDNUSA-N 1 2 363.527 3.199 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@@H+]3CCO[C@H](C)C3)o2)cc1 ZINC000413000539 499903590 /nfs/dbraw/zinc/90/35/90/499903590.db2.gz NPRWKFKUWIDSOV-CQSZACIVSA-N 1 2 361.467 3.114 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@H+]3CCO[C@H](C)C3)o2)cc1 ZINC000413000539 499903591 /nfs/dbraw/zinc/90/35/91/499903591.db2.gz NPRWKFKUWIDSOV-CQSZACIVSA-N 1 2 361.467 3.114 20 30 FGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000413208198 499927146 /nfs/dbraw/zinc/92/71/46/499927146.db2.gz SNDSLVMLEJQNGB-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H](C(F)(F)F)O1 ZINC000428938617 499964085 /nfs/dbraw/zinc/96/40/85/499964085.db2.gz WPQYPBQRPFFTPC-MRVPVSSYSA-N 1 2 359.257 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@H](C(F)(F)F)O1 ZINC000428938617 499964089 /nfs/dbraw/zinc/96/40/89/499964089.db2.gz WPQYPBQRPFFTPC-MRVPVSSYSA-N 1 2 359.257 3.242 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429234726 500028946 /nfs/dbraw/zinc/02/89/46/500028946.db2.gz HIAXYEJDUGCSJF-IAGOWNOFSA-N 1 2 372.488 3.067 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429234726 500028947 /nfs/dbraw/zinc/02/89/47/500028947.db2.gz HIAXYEJDUGCSJF-IAGOWNOFSA-N 1 2 372.488 3.067 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000413830423 500069001 /nfs/dbraw/zinc/06/90/01/500069001.db2.gz XQDPSUGAZIFFPG-LJQANCHMSA-N 1 2 350.466 3.101 20 30 FGEDLO Cc1cc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc(C)[nH+]1 ZINC000421579650 500086132 /nfs/dbraw/zinc/08/61/32/500086132.db2.gz UTJFGTXOHYNDIP-UHFFFAOYSA-N 1 2 366.440 3.242 20 30 FGEDLO Cn1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000429542021 500098072 /nfs/dbraw/zinc/09/80/72/500098072.db2.gz QODNSSSHGVWTFN-UHFFFAOYSA-N 1 2 360.465 3.124 20 30 FGEDLO Cn1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000429542021 500098075 /nfs/dbraw/zinc/09/80/75/500098075.db2.gz QODNSSSHGVWTFN-UHFFFAOYSA-N 1 2 360.465 3.124 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000429542021 500098079 /nfs/dbraw/zinc/09/80/79/500098079.db2.gz QODNSSSHGVWTFN-UHFFFAOYSA-N 1 2 360.465 3.124 20 30 FGEDLO Cc1c(F)c(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000417532875 500098823 /nfs/dbraw/zinc/09/88/23/500098823.db2.gz FRPQXACVUWSGFS-UHFFFAOYSA-N 1 2 370.403 3.495 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000425473043 500116414 /nfs/dbraw/zinc/11/64/14/500116414.db2.gz IVWMFTIHYXAHOQ-LBPRGKRZSA-N 1 2 365.359 3.220 20 30 FGEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccn12 ZINC000576528582 506180078 /nfs/dbraw/zinc/18/00/78/506180078.db2.gz JYNHOGDSDZFWEN-UHFFFAOYSA-N 1 2 360.417 3.198 20 30 FGEDLO N#CC1(C[NH2+]Cc2c(F)ccc(I)c2F)CCC1 ZINC000418145415 500237152 /nfs/dbraw/zinc/23/71/52/500237152.db2.gz XYSATKWYIVDDKO-UHFFFAOYSA-N 1 2 362.161 3.353 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431810365 500428095 /nfs/dbraw/zinc/42/80/95/500428095.db2.gz GWFLUQYMRQUFRL-GOSISDBHSA-N 1 2 351.454 3.382 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000582372792 506198129 /nfs/dbraw/zinc/19/81/29/506198129.db2.gz PJIUIIIORLVFJT-SFHVURJKSA-N 1 2 354.429 3.330 20 30 FGEDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)s1 ZINC000428359750 500499984 /nfs/dbraw/zinc/49/99/84/500499984.db2.gz BOBYENPUQZMMGP-UHFFFAOYSA-N 1 2 357.454 3.462 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000428802641 500559841 /nfs/dbraw/zinc/55/98/41/500559841.db2.gz HHOIHSFPMPQCLF-CYBMUJFWSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)nc1 ZINC000428802641 500559845 /nfs/dbraw/zinc/55/98/45/500559845.db2.gz HHOIHSFPMPQCLF-CYBMUJFWSA-N 1 2 358.785 3.168 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)oc1C ZINC000432785014 500563572 /nfs/dbraw/zinc/56/35/72/500563572.db2.gz RFFZIWQGVADIKH-HNAYVOBHSA-N 1 2 367.449 3.318 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccccc2C1 ZINC000447466544 500610054 /nfs/dbraw/zinc/61/00/54/500610054.db2.gz ABCXXKMHHSIOQB-UHFFFAOYSA-N 1 2 358.401 3.305 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccccc2C1 ZINC000447466544 500610059 /nfs/dbraw/zinc/61/00/59/500610059.db2.gz ABCXXKMHHSIOQB-UHFFFAOYSA-N 1 2 358.401 3.305 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1F ZINC000442810152 500628551 /nfs/dbraw/zinc/62/85/51/500628551.db2.gz MUUJJBYGRYYJAU-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)c(OC)c3)CC2)cc1F ZINC000442810152 500628554 /nfs/dbraw/zinc/62/85/54/500628554.db2.gz MUUJJBYGRYYJAU-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874481 500638150 /nfs/dbraw/zinc/63/81/50/500638150.db2.gz NFXDRINMICSFLD-RXVVDRJESA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874481 500638153 /nfs/dbraw/zinc/63/81/53/500638153.db2.gz NFXDRINMICSFLD-RXVVDRJESA-N 1 2 357.498 3.440 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000443069788 500674033 /nfs/dbraw/zinc/67/40/33/500674033.db2.gz NMFUKVWAXZQALB-QFIPXVFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000443069788 500674034 /nfs/dbraw/zinc/67/40/34/500674034.db2.gz NMFUKVWAXZQALB-QFIPXVFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000443509650 500731951 /nfs/dbraw/zinc/73/19/51/500731951.db2.gz LSEXVBBMKFPVCU-UHFFFAOYSA-N 1 2 370.372 3.439 20 30 FGEDLO C=CC[N@H+](Cc1nc(C)sc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443601696 500743626 /nfs/dbraw/zinc/74/36/26/500743626.db2.gz ICGJTMHXAJPDQX-ZDUSSCGKSA-N 1 2 354.483 3.485 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C)sc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443601696 500743628 /nfs/dbraw/zinc/74/36/28/500743628.db2.gz ICGJTMHXAJPDQX-ZDUSSCGKSA-N 1 2 354.483 3.485 20 30 FGEDLO Cc1nc2[nH]ccc2c(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]1 ZINC000443967311 500784987 /nfs/dbraw/zinc/78/49/87/500784987.db2.gz VEDMBZQXLPCOQH-UHFFFAOYSA-N 1 2 352.829 3.118 20 30 FGEDLO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444587648 500862933 /nfs/dbraw/zinc/86/29/33/500862933.db2.gz ANXJBSUOYQMCOM-UHFFFAOYSA-N 1 2 364.471 3.134 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000434650294 500873494 /nfs/dbraw/zinc/87/34/94/500873494.db2.gz LAXPNOHRPHKASV-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000444717905 500886948 /nfs/dbraw/zinc/88/69/48/500886948.db2.gz JIYXVLUNZNYABW-RHSMWYFYSA-N 1 2 358.404 3.109 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1C ZINC000444717905 500886953 /nfs/dbraw/zinc/88/69/53/500886953.db2.gz JIYXVLUNZNYABW-RHSMWYFYSA-N 1 2 358.404 3.109 20 30 FGEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444767983 500895412 /nfs/dbraw/zinc/89/54/12/500895412.db2.gz SHZXPAQJNDVCPR-MRXNPFEDSA-N 1 2 374.916 3.125 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769804 500896101 /nfs/dbraw/zinc/89/61/01/500896101.db2.gz BZWVZFKHSZLISV-MRXNPFEDSA-N 1 2 374.916 3.147 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000434836348 500900011 /nfs/dbraw/zinc/90/00/11/500900011.db2.gz MJXZFZJOPVWZMJ-FQEVSTJZSA-N 1 2 372.428 3.438 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000434836348 500900013 /nfs/dbraw/zinc/90/00/13/500900013.db2.gz MJXZFZJOPVWZMJ-FQEVSTJZSA-N 1 2 372.428 3.438 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000435068632 500930332 /nfs/dbraw/zinc/93/03/32/500930332.db2.gz WEWPENDHFBVJLJ-PXNSSMCTSA-N 1 2 352.409 3.476 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000435068632 500930336 /nfs/dbraw/zinc/93/03/36/500930336.db2.gz WEWPENDHFBVJLJ-PXNSSMCTSA-N 1 2 352.409 3.476 20 30 FGEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000440052761 500970127 /nfs/dbraw/zinc/97/01/27/500970127.db2.gz OTKHHBGQFKRZNI-UHFFFAOYSA-N 1 2 373.416 3.060 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nc(C#N)c(Cl)s3)CC2)cc1F ZINC000596059550 506233375 /nfs/dbraw/zinc/23/33/75/506233375.db2.gz PXUZVILXPOCCEI-UHFFFAOYSA-N 1 2 366.849 3.138 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000441104793 501089031 /nfs/dbraw/zinc/08/90/31/501089031.db2.gz NMDZYGYGXRWAJT-UHFFFAOYSA-N 1 2 355.482 3.128 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C2 ZINC000441104793 501089033 /nfs/dbraw/zinc/08/90/33/501089033.db2.gz NMDZYGYGXRWAJT-UHFFFAOYSA-N 1 2 355.482 3.128 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000446692758 501152902 /nfs/dbraw/zinc/15/29/02/501152902.db2.gz UDTZPPVHYYTMOF-UHFFFAOYSA-N 1 2 373.416 3.251 20 30 FGEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000446695900 501153092 /nfs/dbraw/zinc/15/30/92/501153092.db2.gz GNVRJAXIXQBHLK-UHFFFAOYSA-N 1 2 362.389 3.014 20 30 FGEDLO N#CC1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 ZINC000450249928 501218799 /nfs/dbraw/zinc/21/87/99/501218799.db2.gz DTZYCSZELZROQO-UHFFFAOYSA-N 1 2 368.359 3.429 20 30 FGEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450315862 501232069 /nfs/dbraw/zinc/23/20/69/501232069.db2.gz DTNLLMUHDJATGA-MRXNPFEDSA-N 1 2 372.450 3.038 20 30 FGEDLO CC(C)c1ncsc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455908511 501412405 /nfs/dbraw/zinc/41/24/05/501412405.db2.gz YZOKZMZUKRLEBB-UHFFFAOYSA-N 1 2 369.494 3.488 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F ZINC000611674010 506251656 /nfs/dbraw/zinc/25/16/56/506251656.db2.gz RILNPLVQRJQOMY-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F ZINC000611674010 506251662 /nfs/dbraw/zinc/25/16/62/506251662.db2.gz RILNPLVQRJQOMY-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454315441 501511103 /nfs/dbraw/zinc/51/11/03/501511103.db2.gz XERWCBWLHOFITN-UHFFFAOYSA-N 1 2 365.412 3.245 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(CC#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456720487 501586032 /nfs/dbraw/zinc/58/60/32/501586032.db2.gz AUNBKSDMVGADNN-MRXNPFEDSA-N 1 2 366.440 3.041 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459125902 501598940 /nfs/dbraw/zinc/59/89/40/501598940.db2.gz RKLNPQNMZLRPNA-QGZVFWFLSA-N 1 2 355.417 3.351 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NCC(C)(C)CC#N ZINC000459262911 501621420 /nfs/dbraw/zinc/62/14/20/501621420.db2.gz WFKNTOLOZIFZJA-MRXNPFEDSA-N 1 2 353.470 3.459 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000459370671 501641160 /nfs/dbraw/zinc/64/11/60/501641160.db2.gz GFCNDDIKVFZHIY-IBGZPJMESA-N 1 2 351.406 3.338 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000459370671 501641161 /nfs/dbraw/zinc/64/11/61/501641161.db2.gz GFCNDDIKVFZHIY-IBGZPJMESA-N 1 2 351.406 3.338 20 30 FGEDLO CC(C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000459380237 501642639 /nfs/dbraw/zinc/64/26/39/501642639.db2.gz ZBBWZRQNNJNDRH-UHFFFAOYSA-N 1 2 358.442 3.031 20 30 FGEDLO CC(C)(NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C#N)c1 ZINC000596115112 506266308 /nfs/dbraw/zinc/26/63/08/506266308.db2.gz QNTRAPIPTZXRHH-UHFFFAOYSA-N 1 2 363.465 3.288 20 30 FGEDLO CCOCc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1OC ZINC000459606190 501685695 /nfs/dbraw/zinc/68/56/95/501685695.db2.gz FDJIPXYPIURWEA-UHFFFAOYSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1ccc2cc(C[N@H+](C)[C@H](C(N)=O)c3ccc(C#N)cc3)ccc2c1 ZINC000485201475 501754750 /nfs/dbraw/zinc/75/47/50/501754750.db2.gz HMIKGGRBKJJVDW-NRFANRHFSA-N 1 2 359.429 3.378 20 30 FGEDLO COc1ccc2cc(C[N@@H+](C)[C@H](C(N)=O)c3ccc(C#N)cc3)ccc2c1 ZINC000485201475 501754752 /nfs/dbraw/zinc/75/47/52/501754752.db2.gz HMIKGGRBKJJVDW-NRFANRHFSA-N 1 2 359.429 3.378 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000474293536 501779311 /nfs/dbraw/zinc/77/93/11/501779311.db2.gz MFCPZOFVWYDRQC-SFHVURJKSA-N 1 2 353.491 3.480 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000471009146 501889419 /nfs/dbraw/zinc/88/94/19/501889419.db2.gz VBONXLTVVGHRGU-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813781 502103141 /nfs/dbraw/zinc/10/31/41/502103141.db2.gz OGBYFNGANSCLRV-MOPGFXCFSA-N 1 2 365.502 3.405 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813781 502103144 /nfs/dbraw/zinc/10/31/44/502103144.db2.gz OGBYFNGANSCLRV-MOPGFXCFSA-N 1 2 365.502 3.405 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461942754 502246784 /nfs/dbraw/zinc/24/67/84/502246784.db2.gz URQDEKYVMSTXIB-UWWQBHOKSA-N 1 2 360.889 3.420 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000486786943 502261311 /nfs/dbraw/zinc/26/13/11/502261311.db2.gz IKGNFKBFPFNTIT-KBPBESRZSA-N 1 2 355.463 3.481 20 30 FGEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000462051298 502287403 /nfs/dbraw/zinc/28/74/03/502287403.db2.gz TUINKFGFBMVAGX-HNNXBMFYSA-N 1 2 368.506 3.161 20 30 FGEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000462051298 502287405 /nfs/dbraw/zinc/28/74/05/502287405.db2.gz TUINKFGFBMVAGX-HNNXBMFYSA-N 1 2 368.506 3.161 20 30 FGEDLO CC[C@]1(C)CN(c2cc(C)[nH+]c(N3CCO[C@@](C)(CC)C3)c2C#N)CCO1 ZINC000596203545 506308264 /nfs/dbraw/zinc/30/82/64/506308264.db2.gz PHIACHQRQOXLPW-RTWAWAEBSA-N 1 2 372.513 3.272 20 30 FGEDLO C[C@@H]1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)S1=O ZINC000483430705 502389522 /nfs/dbraw/zinc/38/95/22/502389522.db2.gz XBICXAVEWVWQBQ-IAGOWNOFSA-N 1 2 368.502 3.479 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@@]1=O ZINC000483430707 502389773 /nfs/dbraw/zinc/38/97/73/502389773.db2.gz XBICXAVEWVWQBQ-KQESFQHQSA-N 1 2 368.502 3.479 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@@]1=O ZINC000483430707 502389777 /nfs/dbraw/zinc/38/97/77/502389777.db2.gz XBICXAVEWVWQBQ-KQESFQHQSA-N 1 2 368.502 3.479 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469699190 502506026 /nfs/dbraw/zinc/50/60/26/502506026.db2.gz SCEFHPAEAPNCKH-XFKAJCMBSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469699190 502506030 /nfs/dbraw/zinc/50/60/30/502506030.db2.gz SCEFHPAEAPNCKH-XFKAJCMBSA-N 1 2 366.864 3.322 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1)[NH+]1CCOCC1 ZINC000602835527 506320758 /nfs/dbraw/zinc/32/07/58/506320758.db2.gz ZFHDXPAIVURSML-HHXXYDBFSA-N 1 2 356.470 3.236 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000484064359 502560314 /nfs/dbraw/zinc/56/03/14/502560314.db2.gz JHTNHPFHOPGEPK-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000466405907 502561324 /nfs/dbraw/zinc/56/13/24/502561324.db2.gz UUDFJLWRMACALC-INIZCTEOSA-N 1 2 365.905 3.401 20 30 FGEDLO CNC(=O)C[N@H+](CC#Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000484077398 502563767 /nfs/dbraw/zinc/56/37/67/502563767.db2.gz BGJQZAJTXSUCSB-UHFFFAOYSA-N 1 2 360.379 3.305 20 30 FGEDLO CNC(=O)C[N@@H+](CC#Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000484077398 502563770 /nfs/dbraw/zinc/56/37/70/502563770.db2.gz BGJQZAJTXSUCSB-UHFFFAOYSA-N 1 2 360.379 3.305 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000469977036 502615912 /nfs/dbraw/zinc/61/59/12/502615912.db2.gz PUDRVEHLHFDYPE-MRXNPFEDSA-N 1 2 354.454 3.023 20 30 FGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000484321163 502624020 /nfs/dbraw/zinc/62/40/20/502624020.db2.gz LJHCZFFORPRSOG-UHFFFAOYSA-N 1 2 364.424 3.281 20 30 FGEDLO C[C@@H]1C[NH+](Cc2nnc(-c3cccc4ccccc43)o2)C[C@@H](C)N1CC#N ZINC000602848541 506325761 /nfs/dbraw/zinc/32/57/61/506325761.db2.gz GRUDIMCKLZVOTK-HZPDHXFCSA-N 1 2 361.449 3.308 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857263 506329413 /nfs/dbraw/zinc/32/94/13/506329413.db2.gz QCCKMABNOVOBSQ-BRWVUGGUSA-N 1 2 350.466 3.085 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484790463 502740785 /nfs/dbraw/zinc/74/07/85/502740785.db2.gz ADATYMDLPNUGDX-OAHLLOKOSA-N 1 2 355.404 3.449 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484790463 502740790 /nfs/dbraw/zinc/74/07/90/502740790.db2.gz ADATYMDLPNUGDX-OAHLLOKOSA-N 1 2 355.404 3.449 20 30 FGEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000481083422 502750772 /nfs/dbraw/zinc/75/07/72/502750772.db2.gz AAUZMKNSWVGLEB-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481237901 502793241 /nfs/dbraw/zinc/79/32/41/502793241.db2.gz NPSAEESVTSHOAW-NRFANRHFSA-N 1 2 372.428 3.016 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000500585317 502819638 /nfs/dbraw/zinc/81/96/38/502819638.db2.gz BFSZFXLPXHJDGX-FRFSOERESA-N 1 2 354.841 3.188 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513102439 502852365 /nfs/dbraw/zinc/85/23/65/502852365.db2.gz YUCNOXSWRQUDNK-LJQANCHMSA-N 1 2 368.868 3.064 20 30 FGEDLO N#Cc1c(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cn2ccccc12 ZINC000488988375 502855316 /nfs/dbraw/zinc/85/53/16/502855316.db2.gz WGQAUBYDWSFYDB-MRXNPFEDSA-N 1 2 350.397 3.388 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cn2ccccc12 ZINC000488988375 502855320 /nfs/dbraw/zinc/85/53/20/502855320.db2.gz WGQAUBYDWSFYDB-MRXNPFEDSA-N 1 2 350.397 3.388 20 30 FGEDLO C=CCc1ccc(OCc2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c(OC)c1 ZINC000500896053 502887708 /nfs/dbraw/zinc/88/77/08/502887708.db2.gz VOWCKVFQDZEFRO-GOSISDBHSA-N 1 2 373.453 3.167 20 30 FGEDLO C=CCc1ccc(OCc2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c(OC)c1 ZINC000500896053 502887711 /nfs/dbraw/zinc/88/77/11/502887711.db2.gz VOWCKVFQDZEFRO-GOSISDBHSA-N 1 2 373.453 3.167 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000496634067 502897456 /nfs/dbraw/zinc/89/74/56/502897456.db2.gz VVIJNLCNJOYQSM-UHFFFAOYSA-N 1 2 366.377 3.244 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509509468 502921470 /nfs/dbraw/zinc/92/14/70/502921470.db2.gz QIKAKUOHHXCEPJ-ZDUSSCGKSA-N 1 2 364.287 3.130 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509509468 502921472 /nfs/dbraw/zinc/92/14/72/502921472.db2.gz QIKAKUOHHXCEPJ-ZDUSSCGKSA-N 1 2 364.287 3.130 20 30 FGEDLO Cn1ncc(Br)c1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602900252 506343453 /nfs/dbraw/zinc/34/34/53/506343453.db2.gz NUDMCZLKDWJPHP-UHFFFAOYSA-N 1 2 374.286 3.131 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501267384 502970965 /nfs/dbraw/zinc/97/09/65/502970965.db2.gz VPNGYAGOKRCQAE-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593027907 506344675 /nfs/dbraw/zinc/34/46/75/506344675.db2.gz ZXZYYPKTPJKGJW-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593027907 506344681 /nfs/dbraw/zinc/34/46/81/506344681.db2.gz ZXZYYPKTPJKGJW-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513660842 502993333 /nfs/dbraw/zinc/99/33/33/502993333.db2.gz OMWRDBVKAWNNNS-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513660842 502993335 /nfs/dbraw/zinc/99/33/35/502993335.db2.gz OMWRDBVKAWNNNS-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000505971685 503023180 /nfs/dbraw/zinc/02/31/80/503023180.db2.gz QRKXUBIRHIHRQZ-OAHLLOKOSA-N 1 2 358.323 3.277 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000489952830 503074321 /nfs/dbraw/zinc/07/43/21/503074321.db2.gz KHLHQUOEYOJOHF-OAQYLSRUSA-N 1 2 363.461 3.076 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000506298264 503089364 /nfs/dbraw/zinc/08/93/64/503089364.db2.gz BIBJYBFJYLPCTO-QGZVFWFLSA-N 1 2 371.799 3.115 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000506298264 503089365 /nfs/dbraw/zinc/08/93/65/503089365.db2.gz BIBJYBFJYLPCTO-QGZVFWFLSA-N 1 2 371.799 3.115 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490073508 503104056 /nfs/dbraw/zinc/10/40/56/503104056.db2.gz FPMSIOINMOHMDL-JTQLQIEISA-N 1 2 368.384 3.001 20 30 FGEDLO Cn1c(C[NH+]2CCN(c3ccccc3C#N)CC2)nc2ccc(Cl)cc21 ZINC000506386182 503107605 /nfs/dbraw/zinc/10/76/05/503107605.db2.gz NTNMPMBKSWXWCB-UHFFFAOYSA-N 1 2 365.868 3.421 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000506655195 503151434 /nfs/dbraw/zinc/15/14/34/503151434.db2.gz RSSFDYLRNGHCSY-UHFFFAOYSA-N 1 2 365.477 3.008 20 30 FGEDLO Cc1cc(NCCc2cccc(C#N)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000514625585 503152032 /nfs/dbraw/zinc/15/20/32/503152032.db2.gz GEFQLUOYFSURAU-UHFFFAOYSA-N 1 2 359.389 3.308 20 30 FGEDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000602932075 506358421 /nfs/dbraw/zinc/35/84/21/506358421.db2.gz QJBMUFILOXODTB-UHFFFAOYSA-N 1 2 351.425 3.400 20 30 FGEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530298 503218514 /nfs/dbraw/zinc/21/85/14/503218514.db2.gz KAGHGVINSXEXCT-OAHLLOKOSA-N 1 2 351.475 3.414 20 30 FGEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530298 503218516 /nfs/dbraw/zinc/21/85/16/503218516.db2.gz KAGHGVINSXEXCT-OAHLLOKOSA-N 1 2 351.475 3.414 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000502542889 503221266 /nfs/dbraw/zinc/22/12/66/503221266.db2.gz GGDNDFZEPCWITK-OAQYLSRUSA-N 1 2 373.456 3.287 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000502542889 503221269 /nfs/dbraw/zinc/22/12/69/503221269.db2.gz GGDNDFZEPCWITK-OAQYLSRUSA-N 1 2 373.456 3.287 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000511093883 503252479 /nfs/dbraw/zinc/25/24/79/503252479.db2.gz FIHMZPJULKOWGJ-LJQANCHMSA-N 1 2 363.864 3.500 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000511093883 503252485 /nfs/dbraw/zinc/25/24/85/503252485.db2.gz FIHMZPJULKOWGJ-LJQANCHMSA-N 1 2 363.864 3.500 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000499054086 503322231 /nfs/dbraw/zinc/32/22/31/503322231.db2.gz PVMLXGQARNHCRH-UHFFFAOYSA-N 1 2 365.481 3.153 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492121833 503350875 /nfs/dbraw/zinc/35/08/75/503350875.db2.gz HXPJMORRZVPTLU-UHFFFAOYSA-N 1 2 351.410 3.182 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCc1cccc(C#N)c1 ZINC000515688697 503385740 /nfs/dbraw/zinc/38/57/40/503385740.db2.gz WGPVJGRKFOZLIB-UHFFFAOYSA-N 1 2 361.449 3.148 20 30 FGEDLO Cc1nc(N2CCc3c(CC#N)cccc3C2)c(Br)c(C)[nH+]1 ZINC000599195103 506368189 /nfs/dbraw/zinc/36/81/89/506368189.db2.gz MYOBQNLTIVIYQD-UHFFFAOYSA-N 1 2 357.255 3.485 20 30 FGEDLO Cc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nn1-c1cccc(C#N)c1 ZINC000503346334 503391761 /nfs/dbraw/zinc/39/17/61/503391761.db2.gz OJBSOVJSVOWPBI-UHFFFAOYSA-N 1 2 356.389 3.489 20 30 FGEDLO Cc1cc(N2CCN(c3ccsc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000596352761 506368661 /nfs/dbraw/zinc/36/86/61/506368661.db2.gz OFDQDBRMGRXVAQ-UHFFFAOYSA-N 1 2 362.462 3.107 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)CCOCC1 ZINC000499632125 503447126 /nfs/dbraw/zinc/44/71/26/503447126.db2.gz QJXGAJVEDAOWKE-INIZCTEOSA-N 1 2 362.495 3.122 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)CCOCC1 ZINC000499632125 503447131 /nfs/dbraw/zinc/44/71/31/503447131.db2.gz QJXGAJVEDAOWKE-INIZCTEOSA-N 1 2 362.495 3.122 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985207 503527302 /nfs/dbraw/zinc/52/73/02/503527302.db2.gz BYENOWVGUFHMJN-UXHICEINSA-N 1 2 363.461 3.085 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985207 503527304 /nfs/dbraw/zinc/52/73/04/503527304.db2.gz BYENOWVGUFHMJN-UXHICEINSA-N 1 2 363.461 3.085 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C2CCCCC2)C1=O ZINC000500003326 503532127 /nfs/dbraw/zinc/53/21/27/503532127.db2.gz VJPPNFVTVGSNOV-HXUWFJFHSA-N 1 2 369.509 3.071 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C2CCCCC2)C1=O ZINC000500003326 503532131 /nfs/dbraw/zinc/53/21/31/503532131.db2.gz VJPPNFVTVGSNOV-HXUWFJFHSA-N 1 2 369.509 3.071 20 30 FGEDLO CSCC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nnc2ccccn21 ZINC000494798685 503612947 /nfs/dbraw/zinc/61/29/47/503612947.db2.gz ZZOVZCBUHSEYIT-HNNXBMFYSA-N 1 2 355.442 3.324 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)c(F)c1 ZINC000512831571 503641922 /nfs/dbraw/zinc/64/19/22/503641922.db2.gz DAADYPIFZLYYJO-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000532950228 503670865 /nfs/dbraw/zinc/67/08/65/503670865.db2.gz CLYXKVQBJHAYOD-UHFFFAOYSA-N 1 2 353.422 3.164 20 30 FGEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000532950228 503670868 /nfs/dbraw/zinc/67/08/68/503670868.db2.gz CLYXKVQBJHAYOD-UHFFFAOYSA-N 1 2 353.422 3.164 20 30 FGEDLO Cc1cc(C)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000536897349 503753893 /nfs/dbraw/zinc/75/38/93/503753893.db2.gz RCEGYLKHVQKZFO-UHFFFAOYSA-N 1 2 361.489 3.370 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000543536907 503804068 /nfs/dbraw/zinc/80/40/68/503804068.db2.gz FEIJRPZNWRJCLJ-GOEBONIOSA-N 1 2 359.470 3.186 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000543536911 503804532 /nfs/dbraw/zinc/80/45/32/503804532.db2.gz FEIJRPZNWRJCLJ-ZBFHGGJFSA-N 1 2 359.470 3.186 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537266520 503863702 /nfs/dbraw/zinc/86/37/02/503863702.db2.gz UGHVCBZOPKYJHA-INIZCTEOSA-N 1 2 359.518 3.485 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000533699022 503925984 /nfs/dbraw/zinc/92/59/84/503925984.db2.gz BWAIXRWJWBVXBH-OAQYLSRUSA-N 1 2 355.441 3.450 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c[nH]1 ZINC000540906057 503932506 /nfs/dbraw/zinc/93/25/06/503932506.db2.gz HARGMGTWNHTKMJ-MRXNPFEDSA-N 1 2 360.820 3.246 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)c1C#N ZINC000533762603 503945949 /nfs/dbraw/zinc/94/59/49/503945949.db2.gz DDIAKXSJUNXAKR-UHFFFAOYSA-N 1 2 362.429 3.148 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)c1C#N ZINC000533762603 503945952 /nfs/dbraw/zinc/94/59/52/503945952.db2.gz DDIAKXSJUNXAKR-UHFFFAOYSA-N 1 2 362.429 3.148 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530533305 504001361 /nfs/dbraw/zinc/00/13/61/504001361.db2.gz RZRSRQXWAZAFJW-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683073 504004547 /nfs/dbraw/zinc/00/45/47/504004547.db2.gz CWSRQJHWIUEJHE-HUUCEWRRSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683073 504004551 /nfs/dbraw/zinc/00/45/51/504004551.db2.gz CWSRQJHWIUEJHE-HUUCEWRRSA-N 1 2 372.465 3.479 20 30 FGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1Cl ZINC000544411837 504122904 /nfs/dbraw/zinc/12/29/04/504122904.db2.gz GLNPINZFPDTQGY-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000544474833 504149096 /nfs/dbraw/zinc/14/90/96/504149096.db2.gz AKMUPRUEDYTOQZ-LLVKDONJSA-N 1 2 373.482 3.260 20 30 FGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)nc1C ZINC000541691417 504224393 /nfs/dbraw/zinc/22/43/93/504224393.db2.gz ZZJZFXIDAYKOIM-GFCCVEGCSA-N 1 2 359.451 3.359 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528495899 504247091 /nfs/dbraw/zinc/24/70/91/504247091.db2.gz XLLDOGYXUHHYIO-UHFFFAOYSA-N 1 2 372.831 3.370 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000519767369 504331955 /nfs/dbraw/zinc/33/19/55/504331955.db2.gz IPSQMSQMHMRLDG-UHFFFAOYSA-N 1 2 374.488 3.134 20 30 FGEDLO CN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C(C)(C)C1=O ZINC000538717385 504339947 /nfs/dbraw/zinc/33/99/47/504339947.db2.gz XOXRNOFBUTXLGR-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO CN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C(C)(C)C1=O ZINC000538717385 504339950 /nfs/dbraw/zinc/33/99/50/504339950.db2.gz XOXRNOFBUTXLGR-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000542208560 504406961 /nfs/dbraw/zinc/40/69/61/504406961.db2.gz ZJZZSXCXJQJVGB-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000548425094 504441076 /nfs/dbraw/zinc/44/10/76/504441076.db2.gz NSDANRPPIGXHDZ-PXNSSMCTSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000548425094 504441079 /nfs/dbraw/zinc/44/10/79/504441079.db2.gz NSDANRPPIGXHDZ-PXNSSMCTSA-N 1 2 355.482 3.049 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1F ZINC000539248093 504511287 /nfs/dbraw/zinc/51/12/87/504511287.db2.gz KFEZDQBUPVJILR-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1F ZINC000539248093 504511294 /nfs/dbraw/zinc/51/12/94/504511294.db2.gz KFEZDQBUPVJILR-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO CC(C)C[N@H+](Cc1noc(C2CCOCC2)n1)Cc1ccc(C#N)cc1 ZINC000520597194 504536989 /nfs/dbraw/zinc/53/69/89/504536989.db2.gz ZUKPOQUMNXRGNC-UHFFFAOYSA-N 1 2 354.454 3.493 20 30 FGEDLO CC(C)C[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1ccc(C#N)cc1 ZINC000520597194 504536992 /nfs/dbraw/zinc/53/69/92/504536992.db2.gz ZUKPOQUMNXRGNC-UHFFFAOYSA-N 1 2 354.454 3.493 20 30 FGEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000535980922 504598604 /nfs/dbraw/zinc/59/86/04/504598604.db2.gz UWTDEKWANAAJBD-INIZCTEOSA-N 1 2 366.417 3.007 20 30 FGEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000535980922 504598608 /nfs/dbraw/zinc/59/86/08/504598608.db2.gz UWTDEKWANAAJBD-INIZCTEOSA-N 1 2 366.417 3.007 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000536036042 504614852 /nfs/dbraw/zinc/61/48/52/504614852.db2.gz SWKKAXMXVJNPRM-LJQANCHMSA-N 1 2 356.470 3.133 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)cc1OC ZINC000539835427 504710484 /nfs/dbraw/zinc/71/04/84/504710484.db2.gz BYQXJHXPNCEWQQ-UHFFFAOYSA-N 1 2 359.495 3.347 20 30 FGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000532903201 504772410 /nfs/dbraw/zinc/77/24/10/504772410.db2.gz KLKSFVRIBVUTIB-UHFFFAOYSA-N 1 2 371.824 3.053 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000532903201 504772411 /nfs/dbraw/zinc/77/24/11/504772411.db2.gz KLKSFVRIBVUTIB-UHFFFAOYSA-N 1 2 371.824 3.053 20 30 FGEDLO CCCCNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(N)[nH+]1 ZINC000553033817 504810263 /nfs/dbraw/zinc/81/02/63/504810263.db2.gz KGKABQLVFRSKSJ-UHFFFAOYSA-N 1 2 366.469 3.021 20 30 FGEDLO CCCCNc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]c(N)n1 ZINC000553033817 504810267 /nfs/dbraw/zinc/81/02/67/504810267.db2.gz KGKABQLVFRSKSJ-UHFFFAOYSA-N 1 2 366.469 3.021 20 30 FGEDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565328121 504855140 /nfs/dbraw/zinc/85/51/40/504855140.db2.gz ZBXDYJISCVABAA-IBGZPJMESA-N 1 2 356.397 3.060 20 30 FGEDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565328121 504855145 /nfs/dbraw/zinc/85/51/45/504855145.db2.gz ZBXDYJISCVABAA-IBGZPJMESA-N 1 2 356.397 3.060 20 30 FGEDLO C=CCOc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000553244149 504862808 /nfs/dbraw/zinc/86/28/08/504862808.db2.gz OHNIUCGAYXZRDV-KRWDZBQOSA-N 1 2 354.454 3.005 20 30 FGEDLO C=CCOc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000553244149 504862813 /nfs/dbraw/zinc/86/28/13/504862813.db2.gz OHNIUCGAYXZRDV-KRWDZBQOSA-N 1 2 354.454 3.005 20 30 FGEDLO N#Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnc1C(F)(F)F ZINC000549809734 504904692 /nfs/dbraw/zinc/90/46/92/504904692.db2.gz FPJABMQYYAQINY-UHFFFAOYSA-N 1 2 357.295 3.410 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000562872181 504971258 /nfs/dbraw/zinc/97/12/58/504971258.db2.gz FQOXLGZXYQMIQS-WIYYLYMNSA-N 1 2 369.509 3.258 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000562872181 504971261 /nfs/dbraw/zinc/97/12/61/504971261.db2.gz FQOXLGZXYQMIQS-WIYYLYMNSA-N 1 2 369.509 3.258 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1C ZINC000550143596 504976753 /nfs/dbraw/zinc/97/67/53/504976753.db2.gz UBXLIDXWFTYNCB-FQEVSTJZSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1C ZINC000550143596 504976757 /nfs/dbraw/zinc/97/67/57/504976757.db2.gz UBXLIDXWFTYNCB-FQEVSTJZSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)n1 ZINC000560181261 505013412 /nfs/dbraw/zinc/01/34/12/505013412.db2.gz UDEFSZFUHCFOAW-GFCCVEGCSA-N 1 2 373.482 3.093 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550306345 505017286 /nfs/dbraw/zinc/01/72/86/505017286.db2.gz XDERGMOJRAQLRX-TZMCWYRMSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550306345 505017288 /nfs/dbraw/zinc/01/72/88/505017288.db2.gz XDERGMOJRAQLRX-TZMCWYRMSA-N 1 2 354.429 3.384 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550337370 505026041 /nfs/dbraw/zinc/02/60/41/505026041.db2.gz OCYOJMKQCNYZAK-NSHDSACASA-N 1 2 358.467 3.118 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550337370 505026046 /nfs/dbraw/zinc/02/60/46/505026046.db2.gz OCYOJMKQCNYZAK-NSHDSACASA-N 1 2 358.467 3.118 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1C ZINC000563081673 505042098 /nfs/dbraw/zinc/04/20/98/505042098.db2.gz PZTGWIRAICHVCG-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1C ZINC000563081673 505042102 /nfs/dbraw/zinc/04/21/02/505042102.db2.gz PZTGWIRAICHVCG-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Sc2ccccc2C#N)cc1 ZINC000566128405 505091031 /nfs/dbraw/zinc/09/10/31/505091031.db2.gz CGYSNNBFRPPFQT-SFHVURJKSA-N 1 2 366.490 3.328 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Sc2ccccc2C#N)cc1 ZINC000566128405 505091035 /nfs/dbraw/zinc/09/10/35/505091035.db2.gz CGYSNNBFRPPFQT-SFHVURJKSA-N 1 2 366.490 3.328 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554191635 505113184 /nfs/dbraw/zinc/11/31/84/505113184.db2.gz KXOCBCSZRACJKP-XHDPSFHLSA-N 1 2 351.237 3.132 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554237200 505123073 /nfs/dbraw/zinc/12/30/73/505123073.db2.gz KKGGIIZELDHHFX-ZDUSSCGKSA-N 1 2 365.271 3.484 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554237200 505123076 /nfs/dbraw/zinc/12/30/76/505123076.db2.gz KKGGIIZELDHHFX-ZDUSSCGKSA-N 1 2 365.271 3.484 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000554240936 505123812 /nfs/dbraw/zinc/12/38/12/505123812.db2.gz UZQNFQKFEHWYIE-UHFFFAOYSA-N 1 2 366.469 3.400 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000560922990 505212356 /nfs/dbraw/zinc/21/23/56/505212356.db2.gz GAJDXZMALDZEJF-UHFFFAOYSA-N 1 2 357.360 3.460 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC000561116049 505254399 /nfs/dbraw/zinc/25/43/99/505254399.db2.gz OGPSXTSXOOPYEO-IBGZPJMESA-N 1 2 373.416 3.360 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000554882778 505288703 /nfs/dbraw/zinc/28/87/03/505288703.db2.gz QFMMGBPKFROGLU-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCc1cn2ccccc2[nH+]1 ZINC000561332839 505316921 /nfs/dbraw/zinc/31/69/21/505316921.db2.gz HPKFDYZDJRWAJW-UHFFFAOYSA-N 1 2 367.334 3.248 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CC(c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000566948576 505319145 /nfs/dbraw/zinc/31/91/45/505319145.db2.gz LGHFGINDTIZGLH-SFHVURJKSA-N 1 2 374.469 3.373 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564152584 505339042 /nfs/dbraw/zinc/33/90/42/505339042.db2.gz PEAFJQQDQJZNHE-HXUWFJFHSA-N 1 2 352.434 3.229 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564152584 505339045 /nfs/dbraw/zinc/33/90/45/505339045.db2.gz PEAFJQQDQJZNHE-HXUWFJFHSA-N 1 2 352.434 3.229 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000551914438 505341419 /nfs/dbraw/zinc/34/14/19/505341419.db2.gz HVKIICAMLHZXEO-UHFFFAOYSA-N 1 2 355.401 3.429 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000561534306 505371297 /nfs/dbraw/zinc/37/12/97/505371297.db2.gz MZJOEMGIWXSENW-UHFFFAOYSA-N 1 2 368.359 3.010 20 30 FGEDLO N#C[C@@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000564372301 505398198 /nfs/dbraw/zinc/39/81/98/505398198.db2.gz PGQFRAPJGUVJPK-JOCHJYFZSA-N 1 2 356.429 3.112 20 30 FGEDLO C[C@@](C#N)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000555903747 505537189 /nfs/dbraw/zinc/53/71/89/505537189.db2.gz CKZFPLRNXRAEEX-IBGZPJMESA-N 1 2 367.409 3.373 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603079488 506411496 /nfs/dbraw/zinc/41/14/96/506411496.db2.gz UUBNESFXBFUDLR-CQSZACIVSA-N 1 2 353.401 3.003 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589168360 506467357 /nfs/dbraw/zinc/46/73/57/506467357.db2.gz UPEBTTOUXNCWAR-AWEZNQCLSA-N 1 2 369.852 3.436 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515994 506483511 /nfs/dbraw/zinc/48/35/11/506483511.db2.gz JYEUEMNJEYKZJD-LPHOPBHVSA-N 1 2 355.388 3.242 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515994 506483516 /nfs/dbraw/zinc/48/35/16/506483516.db2.gz JYEUEMNJEYKZJD-LPHOPBHVSA-N 1 2 355.388 3.242 20 30 FGEDLO COc1cc(C#N)ccc1OCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000596616243 506491643 /nfs/dbraw/zinc/49/16/43/506491643.db2.gz DJFDEMZKJRLLHQ-UHFFFAOYSA-N 1 2 364.405 3.256 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCCc1cn2c(cccc2C)[nH+]1 ZINC000603399347 506503004 /nfs/dbraw/zinc/50/30/04/506503004.db2.gz CJSOLIBIQMFKSJ-UHFFFAOYSA-N 1 2 364.449 3.332 20 30 FGEDLO N#CC1(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000596680748 506531192 /nfs/dbraw/zinc/53/11/92/506531192.db2.gz RILBCRXKSHOSRE-IBGZPJMESA-N 1 2 355.482 3.040 20 30 FGEDLO COc1cccc([C@H](NC(=O)CC2(C#N)CCCCC2)c2[nH+]ccn2C)c1 ZINC000596696404 506544613 /nfs/dbraw/zinc/54/46/13/506544613.db2.gz GHEVUNGFYIGMDV-IBGZPJMESA-N 1 2 366.465 3.498 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596737038 506569530 /nfs/dbraw/zinc/56/95/30/506569530.db2.gz YMACAOYIIUZSEX-JKSUJKDBSA-N 1 2 374.510 3.019 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596737037 506569900 /nfs/dbraw/zinc/56/99/00/506569900.db2.gz YMACAOYIIUZSEX-HZPDHXFCSA-N 1 2 374.510 3.019 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000599677891 506573986 /nfs/dbraw/zinc/57/39/86/506573986.db2.gz RFPFJVPBXIBOMU-NRFANRHFSA-N 1 2 363.436 3.270 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000599677891 506573989 /nfs/dbraw/zinc/57/39/89/506573989.db2.gz RFPFJVPBXIBOMU-NRFANRHFSA-N 1 2 363.436 3.270 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678014 506574055 /nfs/dbraw/zinc/57/40/55/506574055.db2.gz HMMDMTMUVGXABD-FXAWDEMLSA-N 1 2 368.408 3.410 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678014 506574060 /nfs/dbraw/zinc/57/40/60/506574060.db2.gz HMMDMTMUVGXABD-FXAWDEMLSA-N 1 2 368.408 3.410 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678022 506575337 /nfs/dbraw/zinc/57/53/37/506575337.db2.gz HMMDMTMUVGXABD-YLJYHZDGSA-N 1 2 368.408 3.410 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678022 506575342 /nfs/dbraw/zinc/57/53/42/506575342.db2.gz HMMDMTMUVGXABD-YLJYHZDGSA-N 1 2 368.408 3.410 20 30 FGEDLO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000599684537 506578767 /nfs/dbraw/zinc/57/87/67/506578767.db2.gz YAFWPFDFPCWKEN-UYAOXDASSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](CCc1ccccc1)C(F)F ZINC000599684537 506578773 /nfs/dbraw/zinc/57/87/73/506578773.db2.gz YAFWPFDFPCWKEN-UYAOXDASSA-N 1 2 374.431 3.496 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCNc3cccc[nH+]3)cn2)cc1 ZINC000603691033 506595568 /nfs/dbraw/zinc/59/55/68/506595568.db2.gz WFBHHDZXEMUZAK-UHFFFAOYSA-N 1 2 374.404 3.374 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)CC3(C#N)CCCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000596806623 506608450 /nfs/dbraw/zinc/60/84/50/506608450.db2.gz ODERDSIGJCNMBG-IAGOWNOFSA-N 1 2 370.497 3.176 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593452033 506626191 /nfs/dbraw/zinc/62/61/91/506626191.db2.gz XNPHQYQITIEIJD-UHFFFAOYSA-N 1 2 352.438 3.107 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1F ZINC000593572025 506688122 /nfs/dbraw/zinc/68/81/22/506688122.db2.gz ZDTAEFXVJGYKDC-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO Cn1ncc(C2CCC2)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000596996425 506722174 /nfs/dbraw/zinc/72/21/74/506722174.db2.gz VWRPQJNBACIOGX-UHFFFAOYSA-N 1 2 353.445 3.021 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(F)F)nc3)CC2)cc1 ZINC000597007813 506728399 /nfs/dbraw/zinc/72/83/99/506728399.db2.gz IXQFLUJZVZRLPI-UHFFFAOYSA-N 1 2 371.391 3.241 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc2ccccc21 ZINC000609164075 506800503 /nfs/dbraw/zinc/80/05/03/506800503.db2.gz GXSAPPSWPLMJMW-UHFFFAOYSA-N 1 2 373.460 3.480 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OC ZINC000597182142 506818131 /nfs/dbraw/zinc/81/81/31/506818131.db2.gz RLRHRCHUEWDILJ-UHFFFAOYSA-N 1 2 357.479 3.349 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(O)c(Cl)c3)CC2)c1 ZINC000593884049 506819416 /nfs/dbraw/zinc/81/94/16/506819416.db2.gz SNQBTBHVINFHQY-UHFFFAOYSA-N 1 2 369.852 3.312 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000593989140 506867765 /nfs/dbraw/zinc/86/77/65/506867765.db2.gz JUHZNSISAMMTSW-CYBMUJFWSA-N 1 2 374.448 3.277 20 30 FGEDLO CCc1csc(CC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000594019666 506886817 /nfs/dbraw/zinc/88/68/17/506886817.db2.gz PRLZQFFHKYDVFY-IBGZPJMESA-N 1 2 368.506 3.058 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026180 506892049 /nfs/dbraw/zinc/89/20/49/506892049.db2.gz FGWLLSYJLXKUKV-INIZCTEOSA-N 1 2 359.495 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026180 506892056 /nfs/dbraw/zinc/89/20/56/506892056.db2.gz FGWLLSYJLXKUKV-INIZCTEOSA-N 1 2 359.495 3.274 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000609486370 506896810 /nfs/dbraw/zinc/89/68/10/506896810.db2.gz JBYVAVQJBWQCBS-UTKZUKDTSA-N 1 2 364.493 3.333 20 30 FGEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000609521873 506908163 /nfs/dbraw/zinc/90/81/63/506908163.db2.gz UOXVJRJCQPGNSK-UHFFFAOYSA-N 1 2 350.353 3.485 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000590746228 506936034 /nfs/dbraw/zinc/93/60/34/506936034.db2.gz VRRZLJWABKZEPG-QGZVFWFLSA-N 1 2 374.843 3.343 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000590746228 506936036 /nfs/dbraw/zinc/93/60/36/506936036.db2.gz VRRZLJWABKZEPG-QGZVFWFLSA-N 1 2 374.843 3.343 20 30 FGEDLO N#CCn1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc2ccccc21 ZINC000609724799 506983818 /nfs/dbraw/zinc/98/38/18/506983818.db2.gz MXBFXQJUCDSVKQ-UHFFFAOYSA-N 1 2 374.444 3.249 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)CC2 ZINC000590845580 506996080 /nfs/dbraw/zinc/99/60/80/506996080.db2.gz BJWTZJCUUVCZOP-UHFFFAOYSA-N 1 2 353.426 3.288 20 30 FGEDLO N#Cc1ccc(C2(NC(=O)NCCc3cn4ccccc4[nH+]3)CCC2)cc1 ZINC000594210570 507011666 /nfs/dbraw/zinc/01/16/66/507011666.db2.gz RYWRTPVCDXOJNU-UHFFFAOYSA-N 1 2 359.433 3.127 20 30 FGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000590961700 507063408 /nfs/dbraw/zinc/06/34/08/507063408.db2.gz IYLOOUQXZCRDAT-FZMZJTMJSA-N 1 2 351.244 3.392 20 30 FGEDLO C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400379 507114706 /nfs/dbraw/zinc/11/47/06/507114706.db2.gz BLGKVXJSEFLLAW-SDDRHHMPSA-N 1 2 370.280 3.093 20 30 FGEDLO C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400379 507114710 /nfs/dbraw/zinc/11/47/10/507114710.db2.gz BLGKVXJSEFLLAW-SDDRHHMPSA-N 1 2 370.280 3.093 20 30 FGEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000591127935 507126380 /nfs/dbraw/zinc/12/63/80/507126380.db2.gz FVABTQXUMXNXCI-UHFFFAOYSA-N 1 2 374.481 3.401 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccccc3C#N)CC2)c1 ZINC000610206529 507138045 /nfs/dbraw/zinc/13/80/45/507138045.db2.gz DDUBAEMIHKXMKI-UHFFFAOYSA-N 1 2 365.502 3.303 20 30 FGEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)oc1C ZINC000610276372 507173145 /nfs/dbraw/zinc/17/31/45/507173145.db2.gz QZJYEZKCDCGXEX-UHFFFAOYSA-N 1 2 361.449 3.342 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000594536687 507176857 /nfs/dbraw/zinc/17/68/57/507176857.db2.gz GOVLPCULERMKKS-BMGDILEWSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000594536687 507176860 /nfs/dbraw/zinc/17/68/60/507176860.db2.gz GOVLPCULERMKKS-BMGDILEWSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1cccc(C#N)c1 ZINC000610347257 507204692 /nfs/dbraw/zinc/20/46/92/507204692.db2.gz GRQHXFWYAQUZIT-KXBFYZLASA-N 1 2 359.433 3.442 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccccc3CC#N)CC2)c1 ZINC000601038799 507238275 /nfs/dbraw/zinc/23/82/75/507238275.db2.gz WELCRKVWNVZKFB-QGZVFWFLSA-N 1 2 363.461 3.280 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990863 507469923 /nfs/dbraw/zinc/46/99/23/507469923.db2.gz REYFWSUYUOFGPW-HNNXBMFYSA-N 1 2 366.465 3.015 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990863 507469927 /nfs/dbraw/zinc/46/99/27/507469927.db2.gz REYFWSUYUOFGPW-HNNXBMFYSA-N 1 2 366.465 3.015 20 30 FGEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146453 507509471 /nfs/dbraw/zinc/50/94/71/507509471.db2.gz HTIOJSOULMXDLQ-ZBEGNZNMSA-N 1 2 366.343 3.167 20 30 FGEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146453 507509475 /nfs/dbraw/zinc/50/94/75/507509475.db2.gz HTIOJSOULMXDLQ-ZBEGNZNMSA-N 1 2 366.343 3.167 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000598592937 507510056 /nfs/dbraw/zinc/51/00/56/507510056.db2.gz NYUSZXZGFJTICC-ZDUSSCGKSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000598592937 507510063 /nfs/dbraw/zinc/51/00/63/507510063.db2.gz NYUSZXZGFJTICC-ZDUSSCGKSA-N 1 2 355.251 3.247 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148833 507511016 /nfs/dbraw/zinc/51/10/16/507511016.db2.gz CQOFOZUPYRHDHL-IERDGZPVSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148833 507511021 /nfs/dbraw/zinc/51/10/21/507511021.db2.gz CQOFOZUPYRHDHL-IERDGZPVSA-N 1 2 365.433 3.156 20 30 FGEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149735 507511038 /nfs/dbraw/zinc/51/10/38/507511038.db2.gz VKOAWIMXZMBWMH-NRFANRHFSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149735 507511046 /nfs/dbraw/zinc/51/10/46/507511046.db2.gz VKOAWIMXZMBWMH-NRFANRHFSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1C ZINC000592156043 507513120 /nfs/dbraw/zinc/51/31/20/507513120.db2.gz GPFAZJNSHDDOHN-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)c1C ZINC000592156043 507513121 /nfs/dbraw/zinc/51/31/21/507513121.db2.gz GPFAZJNSHDDOHN-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000598603133 507514881 /nfs/dbraw/zinc/51/48/81/507514881.db2.gz XXQAOLNMYTZLGE-CYBMUJFWSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000598603133 507514889 /nfs/dbraw/zinc/51/48/89/507514889.db2.gz XXQAOLNMYTZLGE-CYBMUJFWSA-N 1 2 355.251 3.247 20 30 FGEDLO C=CCSc1ccccc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464498 507524174 /nfs/dbraw/zinc/52/41/74/507524174.db2.gz CAINUAOQNFCANG-UHFFFAOYSA-N 1 2 372.494 3.264 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598726002 507568805 /nfs/dbraw/zinc/56/88/05/507568805.db2.gz LYTZUYZLJSGQRA-GOSISDBHSA-N 1 2 358.511 3.488 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598726002 507568810 /nfs/dbraw/zinc/56/88/10/507568810.db2.gz LYTZUYZLJSGQRA-GOSISDBHSA-N 1 2 358.511 3.488 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602059702 507573890 /nfs/dbraw/zinc/57/38/90/507573890.db2.gz RJTDEZJKPHIVGM-LJQANCHMSA-N 1 2 354.454 3.017 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602059701 507574450 /nfs/dbraw/zinc/57/44/50/507574450.db2.gz RJTDEZJKPHIVGM-IBGZPJMESA-N 1 2 354.454 3.017 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615330 507591843 /nfs/dbraw/zinc/59/18/43/507591843.db2.gz MHMBIVLKIYFXPA-KRWDZBQOSA-N 1 2 351.454 3.053 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615330 507591850 /nfs/dbraw/zinc/59/18/50/507591850.db2.gz MHMBIVLKIYFXPA-KRWDZBQOSA-N 1 2 351.454 3.053 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000595645084 507610388 /nfs/dbraw/zinc/61/03/88/507610388.db2.gz FBVQKUBSNCNOHI-CQSZACIVSA-N 1 2 357.845 3.361 20 30 FGEDLO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000611347605 507632055 /nfs/dbraw/zinc/63/20/55/507632055.db2.gz MDFDJPLRKRYXBK-UZLBHIALSA-N 1 2 360.465 3.332 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595698060 507633474 /nfs/dbraw/zinc/63/34/74/507633474.db2.gz ZQHXVYJTRDBTSS-MRXNPFEDSA-N 1 2 368.506 3.251 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000611348294 507633856 /nfs/dbraw/zinc/63/38/56/507633856.db2.gz UIOLGICUAJVTJB-KRWDZBQOSA-N 1 2 360.461 3.435 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000611348294 507633860 /nfs/dbraw/zinc/63/38/60/507633860.db2.gz UIOLGICUAJVTJB-KRWDZBQOSA-N 1 2 360.461 3.435 20 30 FGEDLO CC(C)(C(=O)NCC[NH+]1Cc2ccccc2C1)c1cc(F)cc(C#N)c1 ZINC000586753003 507658509 /nfs/dbraw/zinc/65/85/09/507658509.db2.gz URIOEMWKHXHQRB-UHFFFAOYSA-N 1 2 351.425 3.107 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Cc4ccccc4)no3)CCOCC2)c1 ZINC000595771654 507678074 /nfs/dbraw/zinc/67/80/74/507678074.db2.gz AYZJYQJPOQJFGJ-UHFFFAOYSA-N 1 2 374.444 3.328 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000592521898 507693734 /nfs/dbraw/zinc/69/37/34/507693734.db2.gz DFHKIOZKBPKEFI-ZDUSSCGKSA-N 1 2 374.076 3.062 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000592521898 507693740 /nfs/dbraw/zinc/69/37/40/507693740.db2.gz DFHKIOZKBPKEFI-ZDUSSCGKSA-N 1 2 374.076 3.062 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000611518785 507717414 /nfs/dbraw/zinc/71/74/14/507717414.db2.gz RHHFWLKDFSJSLW-MLGOLLRUSA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000611518785 507717417 /nfs/dbraw/zinc/71/74/17/507717417.db2.gz RHHFWLKDFSJSLW-MLGOLLRUSA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000611518782 507717740 /nfs/dbraw/zinc/71/77/40/507717740.db2.gz RHHFWLKDFSJSLW-BLLLJJGKSA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000611518782 507717746 /nfs/dbraw/zinc/71/77/46/507717746.db2.gz RHHFWLKDFSJSLW-BLLLJJGKSA-N 1 2 364.371 3.110 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)s1 ZINC000611550253 507733639 /nfs/dbraw/zinc/73/36/39/507733639.db2.gz BEHNZJNDPLWVBO-QGZVFWFLSA-N 1 2 373.453 3.056 20 30 FGEDLO COc1ccccc1OCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551612 507733873 /nfs/dbraw/zinc/73/38/73/507733873.db2.gz MWJCLMXLRDPNJR-LJQANCHMSA-N 1 2 369.440 3.096 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000330296455 568158871 /nfs/dbraw/zinc/15/88/71/568158871.db2.gz KEKNHYJUZXWAJM-GOSISDBHSA-N 1 2 366.465 3.110 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1c(O)cccc1Cl ZINC000823914122 608631307 /nfs/dbraw/zinc/63/13/07/608631307.db2.gz AQZVEKDXXLSKID-UHFFFAOYSA-N 1 2 355.829 3.414 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1c(O)cccc1Cl ZINC000823914122 608631308 /nfs/dbraw/zinc/63/13/08/608631308.db2.gz AQZVEKDXXLSKID-UHFFFAOYSA-N 1 2 355.829 3.414 20 30 FGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824385580 608680211 /nfs/dbraw/zinc/68/02/11/608680211.db2.gz XALXPBURFVCFMD-HNNXBMFYSA-N 1 2 362.437 3.180 20 30 FGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824385580 608680213 /nfs/dbraw/zinc/68/02/13/608680213.db2.gz XALXPBURFVCFMD-HNNXBMFYSA-N 1 2 362.437 3.180 20 30 FGEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000823958248 609472329 /nfs/dbraw/zinc/47/23/29/609472329.db2.gz GRXGWWKRTZCKNH-UHFFFAOYSA-N 1 2 355.833 3.422 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F ZINC000106067269 700506439 /nfs/dbraw/zinc/50/64/39/700506439.db2.gz QTANURRUWQHXCX-JTQLQIEISA-N 1 2 367.783 3.477 20 30 FGEDLO Cc1nc(-c2ccc(Br)cc2)nn1C[NH+]1CCC(C#N)CC1 ZINC000111163362 700545760 /nfs/dbraw/zinc/54/57/60/700545760.db2.gz XXQWQBREFNMLPO-UHFFFAOYSA-N 1 2 360.259 3.209 20 30 FGEDLO C=CCn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1cnccn1 ZINC000162616915 705299831 /nfs/dbraw/zinc/29/98/31/705299831.db2.gz UCDVOIAYAPSIMV-HUUCEWRRSA-N 1 2 356.499 3.137 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000328806816 713826075 /nfs/dbraw/zinc/82/60/75/713826075.db2.gz IBUZNXOKQYMMPE-BFHYXJOUSA-N 1 2 358.408 3.492 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374566615 713931423 /nfs/dbraw/zinc/93/14/23/713931423.db2.gz RCCHPKZWXMHKSM-AWEZNQCLSA-N 1 2 357.841 3.447 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374566615 713931425 /nfs/dbraw/zinc/93/14/25/713931425.db2.gz RCCHPKZWXMHKSM-AWEZNQCLSA-N 1 2 357.841 3.447 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450021 714748068 /nfs/dbraw/zinc/74/80/68/714748068.db2.gz KHUXPHGEEJVJIS-RYUDHWBXSA-N 1 2 358.326 3.250 20 30 FGEDLO C=CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000638973684 717503267 /nfs/dbraw/zinc/50/32/67/717503267.db2.gz ZESYFMJUBJNFSU-UHFFFAOYSA-N 1 2 367.421 3.398 20 30 FGEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804499740 724522619 /nfs/dbraw/zinc/52/26/19/724522619.db2.gz MDVQIMOVHHLHFX-GXTWGEPZSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804499740 724522622 /nfs/dbraw/zinc/52/26/22/724522622.db2.gz MDVQIMOVHHLHFX-GXTWGEPZSA-N 1 2 362.886 3.370 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804940791 724567223 /nfs/dbraw/zinc/56/72/23/724567223.db2.gz YEVSQPNNCIBAAS-FHWLQOOXSA-N 1 2 353.551 3.488 20 30 FGEDLO S=C1N=NC(CSc2ccccc2)N1N=Cc1cccc2[nH+]ccn21 ZINC000782245875 724643032 /nfs/dbraw/zinc/64/30/32/724643032.db2.gz RTPGQPRBMAWONG-UHFFFAOYSA-N 1 2 366.475 3.389 20 30 FGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)COC ZINC000661246975 720215442 /nfs/dbraw/zinc/21/54/42/720215442.db2.gz MTKGAIFLDVDVPU-JTQLQIEISA-N 1 2 356.220 3.115 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)COC ZINC000661246975 720215445 /nfs/dbraw/zinc/21/54/45/720215445.db2.gz MTKGAIFLDVDVPU-JTQLQIEISA-N 1 2 356.220 3.115 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678655217 721971575 /nfs/dbraw/zinc/97/15/75/721971575.db2.gz GRSHVZRKRMYDCX-WMZOPIPTSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678655217 721971578 /nfs/dbraw/zinc/97/15/78/721971578.db2.gz GRSHVZRKRMYDCX-WMZOPIPTSA-N 1 2 354.853 3.323 20 30 FGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309166 722514843 /nfs/dbraw/zinc/51/48/43/722514843.db2.gz HRPRBNNVYGZAKB-HNNXBMFYSA-N 1 2 365.861 3.341 20 30 FGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309166 722514844 /nfs/dbraw/zinc/51/48/44/722514844.db2.gz HRPRBNNVYGZAKB-HNNXBMFYSA-N 1 2 365.861 3.341 20 30 FGEDLO C#CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000753944330 722919439 /nfs/dbraw/zinc/91/94/39/722919439.db2.gz XBMRDFLLWRWIFR-KRWDZBQOSA-N 1 2 356.516 3.319 20 30 FGEDLO C#CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000753944330 722919441 /nfs/dbraw/zinc/91/94/41/722919441.db2.gz XBMRDFLLWRWIFR-KRWDZBQOSA-N 1 2 356.516 3.319 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056675 723117889 /nfs/dbraw/zinc/11/78/89/723117889.db2.gz ZGJMGUDWVBMBRS-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056675 723117892 /nfs/dbraw/zinc/11/78/92/723117892.db2.gz ZGJMGUDWVBMBRS-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO CC(C)(C)[N@H+](CC(=O)NCCC#N)Cc1ccccc1Br ZINC000761935580 723198736 /nfs/dbraw/zinc/19/87/36/723198736.db2.gz OFMCHMDZFJUSHZ-UHFFFAOYSA-N 1 2 352.276 3.079 20 30 FGEDLO CC(C)(C)[N@@H+](CC(=O)NCCC#N)Cc1ccccc1Br ZINC000761935580 723198742 /nfs/dbraw/zinc/19/87/42/723198742.db2.gz OFMCHMDZFJUSHZ-UHFFFAOYSA-N 1 2 352.276 3.079 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)c1=S ZINC000794631230 723536720 /nfs/dbraw/zinc/53/67/20/723536720.db2.gz JRDGKNMSWZPNGT-IBGZPJMESA-N 1 2 355.511 3.319 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)c1=S ZINC000794631230 723536721 /nfs/dbraw/zinc/53/67/21/723536721.db2.gz JRDGKNMSWZPNGT-IBGZPJMESA-N 1 2 355.511 3.319 20 30 FGEDLO Cn1c(CC#N)nn(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1=S ZINC000794639202 723537224 /nfs/dbraw/zinc/53/72/24/723537224.db2.gz ISRUQWUSSGLKOL-UHFFFAOYSA-N 1 2 363.437 3.312 20 30 FGEDLO C#CCN(CCn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564279 /nfs/dbraw/zinc/56/42/79/723564279.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 1 2 374.282 3.413 20 30 FGEDLO C#CC[N@@H+](CCn1ccnc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564280 /nfs/dbraw/zinc/56/42/80/723564280.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 1 2 374.282 3.413 20 30 FGEDLO C#CC[N@H+](CCn1ccnc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564282 /nfs/dbraw/zinc/56/42/82/723564282.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 1 2 374.282 3.413 20 30 FGEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1OCC#N ZINC000796601781 723645845 /nfs/dbraw/zinc/64/58/45/723645845.db2.gz PHHOKVIXSFFRQP-UHFFFAOYSA-N 1 2 363.889 3.467 20 30 FGEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1OCC#N ZINC000796601781 723645846 /nfs/dbraw/zinc/64/58/46/723645846.db2.gz PHHOKVIXSFFRQP-UHFFFAOYSA-N 1 2 363.889 3.467 20 30 FGEDLO C#CC[N@@H+](Cc1c[nH]nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000769403637 723684712 /nfs/dbraw/zinc/68/47/12/723684712.db2.gz IVZLUCANTGEMQW-INIZCTEOSA-N 1 2 360.255 3.440 20 30 FGEDLO C#CC[N@H+](Cc1c[nH]nc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000769403637 723684714 /nfs/dbraw/zinc/68/47/14/723684714.db2.gz IVZLUCANTGEMQW-INIZCTEOSA-N 1 2 360.255 3.440 20 30 FGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000769963502 723702087 /nfs/dbraw/zinc/70/20/87/723702087.db2.gz UYAAAXRVESTALG-VIFPVBQESA-N 1 2 363.177 3.360 20 30 FGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000769963502 723702088 /nfs/dbraw/zinc/70/20/88/723702088.db2.gz UYAAAXRVESTALG-VIFPVBQESA-N 1 2 363.177 3.360 20 30 FGEDLO S=C1N=NC(c2ccccc2Cl)N1N=Cc1cccc2[nH+]ccn21 ZINC000771088360 723727705 /nfs/dbraw/zinc/72/77/05/723727705.db2.gz LUXLNABMCDKGRR-UHFFFAOYSA-N 1 2 354.826 3.417 20 30 FGEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1O ZINC000775676923 724021994 /nfs/dbraw/zinc/02/19/94/724021994.db2.gz BFVLIHDUZCYXKD-UHFFFAOYSA-N 1 2 357.841 3.121 20 30 FGEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccccc1Cl ZINC000777818071 724261653 /nfs/dbraw/zinc/26/16/53/724261653.db2.gz YLIGWRDQRXOBEP-INIZCTEOSA-N 1 2 371.934 3.192 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527778 725312587 /nfs/dbraw/zinc/31/25/87/725312587.db2.gz MUSNBQZVLIWSDK-KSSFIOAISA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000810527778 725312588 /nfs/dbraw/zinc/31/25/88/725312588.db2.gz MUSNBQZVLIWSDK-KSSFIOAISA-N 1 2 365.836 3.200 20 30 FGEDLO C[C@H]1C(N=Nc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000811646765 725375692 /nfs/dbraw/zinc/37/56/92/725375692.db2.gz LAZBPPMAGJOMBL-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1C(N=Nc2cccc(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000811646765 725375693 /nfs/dbraw/zinc/37/56/93/725375693.db2.gz LAZBPPMAGJOMBL-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000831694300 729662186 /nfs/dbraw/zinc/66/21/86/729662186.db2.gz BNBODNAYUDKOJT-UHFFFAOYSA-N 1 2 351.244 3.036 20 30 FGEDLO Cn1nc(C(F)(F)F)c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1Cl ZINC000844371323 730708592 /nfs/dbraw/zinc/70/85/92/730708592.db2.gz MJIFTIJULLSTPD-ZDUSSCGKSA-N 1 2 372.778 3.129 20 30 FGEDLO Cn1nc(C(F)(F)F)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1Cl ZINC000844371323 730708594 /nfs/dbraw/zinc/70/85/94/730708594.db2.gz MJIFTIJULLSTPD-ZDUSSCGKSA-N 1 2 372.778 3.129 20 30 FGEDLO CCCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000846228316 730938015 /nfs/dbraw/zinc/93/80/15/730938015.db2.gz MDRZXCPPDLNIQZ-GOSISDBHSA-N 1 2 353.532 3.108 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000847030469 731008973 /nfs/dbraw/zinc/00/89/73/731008973.db2.gz NLEBDNOSLPLFGH-AWEZNQCLSA-N 1 2 357.454 3.157 20 30 FGEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000847030469 731008976 /nfs/dbraw/zinc/00/89/76/731008976.db2.gz NLEBDNOSLPLFGH-AWEZNQCLSA-N 1 2 357.454 3.157 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000847031768 731009492 /nfs/dbraw/zinc/00/94/92/731009492.db2.gz RXPRWIHBZCQFBL-MRXNPFEDSA-N 1 2 353.491 3.478 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000847031768 731009495 /nfs/dbraw/zinc/00/94/95/731009495.db2.gz RXPRWIHBZCQFBL-MRXNPFEDSA-N 1 2 353.491 3.478 20 30 FGEDLO Cc1nn(-c2ccccc2Cl)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000848406834 731161392 /nfs/dbraw/zinc/16/13/92/731161392.db2.gz IYDHEKOOHUYKAS-HZPDHXFCSA-N 1 2 356.861 3.028 20 30 FGEDLO FC(F)Oc1ccc(C=NNCCCn2cc[nH+]c2)cc1Br ZINC000848418943 731162352 /nfs/dbraw/zinc/16/23/52/731162352.db2.gz SQAMIAWHKSWURW-UHFFFAOYSA-N 1 2 373.201 3.261 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000848924535 731221027 /nfs/dbraw/zinc/22/10/27/731221027.db2.gz UXZIGWLCJLOCTI-CQSZACIVSA-N 1 2 361.511 3.282 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000848924535 731221029 /nfs/dbraw/zinc/22/10/29/731221029.db2.gz UXZIGWLCJLOCTI-CQSZACIVSA-N 1 2 361.511 3.282 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)Br)CC2)cc1 ZINC000851711722 731485513 /nfs/dbraw/zinc/48/55/13/731485513.db2.gz FFYLSJWTXKKOAV-UHFFFAOYSA-N 1 2 358.230 3.054 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)Br)CC2)cc1 ZINC000851711722 731485514 /nfs/dbraw/zinc/48/55/14/731485514.db2.gz FFYLSJWTXKKOAV-UHFFFAOYSA-N 1 2 358.230 3.054 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000852725612 731624787 /nfs/dbraw/zinc/62/47/87/731624787.db2.gz LXDRUAYBQGRXAY-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000852725612 731624790 /nfs/dbraw/zinc/62/47/90/731624790.db2.gz LXDRUAYBQGRXAY-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(CS(C)(=O)=O)c1 ZINC000853245531 731687150 /nfs/dbraw/zinc/68/71/50/731687150.db2.gz KOZACWPLJALJCI-UHFFFAOYSA-N 1 2 358.463 3.031 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCn3c[nH+]cc32)s1 ZINC000857979039 732174131 /nfs/dbraw/zinc/17/41/31/732174131.db2.gz SWFKFHCHSDBKQQ-LLVKDONJSA-N 1 2 368.915 3.296 20 30 FGEDLO N#Cc1sc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc1Cl ZINC000858822201 732249675 /nfs/dbraw/zinc/24/96/75/732249675.db2.gz XSYYCVBWUHOHDT-UHFFFAOYSA-N 1 2 357.870 3.472 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866354333 733339351 /nfs/dbraw/zinc/33/93/51/733339351.db2.gz HIZVEYNPCKHDFY-KBPBESRZSA-N 1 2 358.463 3.469 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)N(CC)c2nc3ccccc3s2)CC1 ZINC000886769113 739295340 /nfs/dbraw/zinc/29/53/40/739295340.db2.gz PKVHXQKTTMMFNM-UHFFFAOYSA-N 1 2 359.495 3.052 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(C(F)(F)F)n3)CC2)cc1 ZINC000891495500 739907443 /nfs/dbraw/zinc/90/74/43/739907443.db2.gz PAULFHVKMHMDKS-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(CC(F)(F)F)s3)CC2)cc1 ZINC000895845260 742461658 /nfs/dbraw/zinc/46/16/58/742461658.db2.gz UPLFXHJCYISUEH-UHFFFAOYSA-N 1 2 366.412 3.442 20 30 FGEDLO CCOCc1nc(Cl)cc(N=NC(C)C[NH+]2Cc3ccccc3C2)n1 ZINC000901313614 743251602 /nfs/dbraw/zinc/25/16/02/743251602.db2.gz QSGIDSUMCWPLHS-UHFFFAOYSA-N 1 2 359.861 3.470 20 30 FGEDLO COc1cc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)sn1 ZINC000902146593 743714631 /nfs/dbraw/zinc/71/46/31/743714631.db2.gz YGNNIBCIBUNKEF-UHFFFAOYSA-N 1 2 362.411 3.211 20 30 FGEDLO C[C@@H](NCc1csc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689425 758770678 /nfs/dbraw/zinc/77/06/78/758770678.db2.gz IQJRMXNRTHSFNN-CQSZACIVSA-N 1 2 358.486 3.361 20 30 FGEDLO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(C#N)c1O ZINC000925217829 759463778 /nfs/dbraw/zinc/46/37/78/759463778.db2.gz RHJFWGQMTFSFCG-GOSISDBHSA-N 1 2 358.463 3.049 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000932654253 761209713 /nfs/dbraw/zinc/20/97/13/761209713.db2.gz OFMJPJXADKTUAJ-UHFFFAOYSA-N 1 2 358.335 3.405 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933138596 761328823 /nfs/dbraw/zinc/32/88/23/761328823.db2.gz WUYGFPMXAWAJTK-ZDUSSCGKSA-N 1 2 353.235 3.001 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933138596 761328831 /nfs/dbraw/zinc/32/88/31/761328831.db2.gz WUYGFPMXAWAJTK-ZDUSSCGKSA-N 1 2 353.235 3.001 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650239 761445644 /nfs/dbraw/zinc/44/56/44/761445644.db2.gz OMQIECYSIGLSJB-AWEZNQCLSA-N 1 2 362.857 3.313 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000970205634 762871174 /nfs/dbraw/zinc/87/11/74/762871174.db2.gz WHFMZUVCCRFURB-KNXALSJPSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977317104 763354339 /nfs/dbraw/zinc/35/43/39/763354339.db2.gz OCBLWHCWMNUVTO-SQNIBIBYSA-N 1 2 362.901 3.343 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977317104 763354346 /nfs/dbraw/zinc/35/43/46/763354346.db2.gz OCBLWHCWMNUVTO-SQNIBIBYSA-N 1 2 362.901 3.343 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001007994479 765632926 /nfs/dbraw/zinc/63/29/26/765632926.db2.gz GGVFYOXPZVIYTH-YFVAEKQCSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001007994479 765632930 /nfs/dbraw/zinc/63/29/30/765632930.db2.gz GGVFYOXPZVIYTH-YFVAEKQCSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001008575948 765679347 /nfs/dbraw/zinc/67/93/47/765679347.db2.gz UEAMJSCUPXJYMY-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001008575948 765679352 /nfs/dbraw/zinc/67/93/52/765679352.db2.gz UEAMJSCUPXJYMY-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015828705 765810845 /nfs/dbraw/zinc/81/08/45/765810845.db2.gz KHGBPWKBHGYPEZ-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015828705 765810850 /nfs/dbraw/zinc/81/08/50/765810850.db2.gz KHGBPWKBHGYPEZ-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670675 766062211 /nfs/dbraw/zinc/06/22/11/766062211.db2.gz SUDHCWHYAOYMGB-RBSFLKMASA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670675 766062218 /nfs/dbraw/zinc/06/22/18/766062218.db2.gz SUDHCWHYAOYMGB-RBSFLKMASA-N 1 2 367.287 3.262 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001031990067 766190304 /nfs/dbraw/zinc/19/03/04/766190304.db2.gz NBRFFPVXSBWXGY-PNPHSEOMSA-N 1 2 366.864 3.179 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033165352 766209399 /nfs/dbraw/zinc/20/93/99/766209399.db2.gz NQJGUVFDPLCSQL-LNLFQRSKSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033165352 766209403 /nfs/dbraw/zinc/20/94/03/766209403.db2.gz NQJGUVFDPLCSQL-LNLFQRSKSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033839675 766224251 /nfs/dbraw/zinc/22/42/51/766224251.db2.gz ZGQLXQAYBOEHDE-KFWWJZLASA-N 1 2 361.313 3.209 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033839675 766224255 /nfs/dbraw/zinc/22/42/55/766224255.db2.gz ZGQLXQAYBOEHDE-KFWWJZLASA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034416227 766241354 /nfs/dbraw/zinc/24/13/54/766241354.db2.gz YMRBKTVSFSERCD-RRFJBIMHSA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034416227 766241358 /nfs/dbraw/zinc/24/13/58/766241358.db2.gz YMRBKTVSFSERCD-RRFJBIMHSA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001039452792 766297255 /nfs/dbraw/zinc/29/72/55/766297255.db2.gz PJNHNXLURNMJRB-LTIDMASMSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001039452792 766297260 /nfs/dbraw/zinc/29/72/60/766297260.db2.gz PJNHNXLURNMJRB-LTIDMASMSA-N 1 2 367.331 3.397 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000576733239 505581122 /nfs/dbraw/zinc/58/11/22/505581122.db2.gz JPWDUMGHYDRUAE-WNRNVDISSA-N 1 2 350.422 3.138 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000576733239 505581124 /nfs/dbraw/zinc/58/11/24/505581124.db2.gz JPWDUMGHYDRUAE-WNRNVDISSA-N 1 2 350.422 3.138 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000579671765 505599066 /nfs/dbraw/zinc/59/90/66/505599066.db2.gz UWZGGIBQTSBQDB-MRXNPFEDSA-N 1 2 367.497 3.474 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000579671765 505599070 /nfs/dbraw/zinc/59/90/70/505599070.db2.gz UWZGGIBQTSBQDB-MRXNPFEDSA-N 1 2 367.497 3.474 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000573810047 505626521 /nfs/dbraw/zinc/62/65/21/505626521.db2.gz ANPZHQZVLLEITO-NRFANRHFSA-N 1 2 361.445 3.350 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000573810047 505626525 /nfs/dbraw/zinc/62/65/25/505626525.db2.gz ANPZHQZVLLEITO-NRFANRHFSA-N 1 2 361.445 3.350 20 30 FGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnc4c(C#N)cnn4c3)n2)cc1 ZINC000579833942 505629409 /nfs/dbraw/zinc/62/94/09/505629409.db2.gz MJZVHWKTQIHVQP-ZDUSSCGKSA-N 1 2 373.420 3.064 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)ccc1Br ZINC000057878471 493811435 /nfs/dbraw/zinc/81/14/35/493811435.db2.gz KXCQXFIIQNHJRL-LBPRGKRZSA-N 1 2 350.260 3.320 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cn21 ZINC000068569852 493843004 /nfs/dbraw/zinc/84/30/04/493843004.db2.gz WAQQGYVDLSPDIV-FQEVSTJZSA-N 1 2 362.433 3.234 20 30 FGEDLO COc1cccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2[nH+]ccn2C)c1 ZINC000049617765 493876819 /nfs/dbraw/zinc/87/68/19/493876819.db2.gz IPQFTSFKBRTDNM-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO N#Cc1ccccc1OCCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000059931355 493911288 /nfs/dbraw/zinc/91/12/88/493911288.db2.gz WWXOICTWFDCRGH-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000076727308 493960634 /nfs/dbraw/zinc/96/06/34/493960634.db2.gz OPUCAZOPRHWMEQ-AWEZNQCLSA-N 1 2 356.426 3.082 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOc3ccccc3C2)c1C ZINC000076850108 493980301 /nfs/dbraw/zinc/98/03/01/493980301.db2.gz MUILRSQLLNWWET-UHFFFAOYSA-N 1 2 363.461 3.445 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOc3ccccc3C2)c1C ZINC000076850108 493980302 /nfs/dbraw/zinc/98/03/02/493980302.db2.gz MUILRSQLLNWWET-UHFFFAOYSA-N 1 2 363.461 3.445 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000083221346 494009774 /nfs/dbraw/zinc/00/97/74/494009774.db2.gz QMKOFDAASPAWRN-FPOVZHCZSA-N 1 2 364.445 3.311 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000083221346 494009777 /nfs/dbraw/zinc/00/97/77/494009777.db2.gz QMKOFDAASPAWRN-FPOVZHCZSA-N 1 2 364.445 3.311 20 30 FGEDLO C=CCNC(=O)C[N@@H+](Cc1cc(Br)ccc1OCC)C1CC1 ZINC000077216737 494034465 /nfs/dbraw/zinc/03/44/65/494034465.db2.gz SUPLXAJPZQHGPF-UHFFFAOYSA-N 1 2 367.287 3.114 20 30 FGEDLO C=CCNC(=O)C[N@H+](Cc1cc(Br)ccc1OCC)C1CC1 ZINC000077216737 494034467 /nfs/dbraw/zinc/03/44/67/494034467.db2.gz SUPLXAJPZQHGPF-UHFFFAOYSA-N 1 2 367.287 3.114 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288314 494040225 /nfs/dbraw/zinc/04/02/25/494040225.db2.gz QUPPGDQXPOVFHN-UHFFFAOYSA-N 1 2 371.412 3.347 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288314 494040226 /nfs/dbraw/zinc/04/02/26/494040226.db2.gz QUPPGDQXPOVFHN-UHFFFAOYSA-N 1 2 371.412 3.347 20 30 FGEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300789 494042111 /nfs/dbraw/zinc/04/21/11/494042111.db2.gz DWDHRRDSUCNNGF-UHFFFAOYSA-N 1 2 358.445 3.493 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300789 494042114 /nfs/dbraw/zinc/04/21/14/494042114.db2.gz DWDHRRDSUCNNGF-UHFFFAOYSA-N 1 2 358.445 3.493 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1cccc(C#N)c1 ZINC000063300243 494042237 /nfs/dbraw/zinc/04/22/37/494042237.db2.gz ORAQYZQOHSVSPF-UHFFFAOYSA-N 1 2 351.475 3.193 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1cccc(C#N)c1 ZINC000063300243 494042242 /nfs/dbraw/zinc/04/22/42/494042242.db2.gz ORAQYZQOHSVSPF-UHFFFAOYSA-N 1 2 351.475 3.193 20 30 FGEDLO Cc1cccc(C2(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000052960524 494079418 /nfs/dbraw/zinc/07/94/18/494079418.db2.gz DKLNUTLBLJKSBO-UHFFFAOYSA-N 1 2 359.473 3.243 20 30 FGEDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000574139646 505703049 /nfs/dbraw/zinc/70/30/49/505703049.db2.gz WZUQRKCVDQWHKT-ZWKOTPCHSA-N 1 2 372.432 3.201 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(OC)cc1 ZINC000054272120 494214480 /nfs/dbraw/zinc/21/44/80/494214480.db2.gz CHPXBEYWCGFNCK-UHFFFAOYSA-N 1 2 368.433 3.093 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(OC)cc1 ZINC000054272120 494214485 /nfs/dbraw/zinc/21/44/85/494214485.db2.gz CHPXBEYWCGFNCK-UHFFFAOYSA-N 1 2 368.433 3.093 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000042978438 494255587 /nfs/dbraw/zinc/25/55/87/494255587.db2.gz GIAXERAGNDNSQM-UHFFFAOYSA-N 1 2 367.287 3.090 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000042978438 494255592 /nfs/dbraw/zinc/25/55/92/494255592.db2.gz GIAXERAGNDNSQM-UHFFFAOYSA-N 1 2 367.287 3.090 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)c2nc(-c3ccccc3C)no2)cs1 ZINC000072920064 494283941 /nfs/dbraw/zinc/28/39/41/494283941.db2.gz VFXZRVZGVNWLGX-NSHDSACASA-N 1 2 357.439 3.402 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000043471031 494298303 /nfs/dbraw/zinc/29/83/03/494298303.db2.gz JLKXIVXEJQQRJI-UHFFFAOYSA-N 1 2 361.449 3.448 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000044333501 494350897 /nfs/dbraw/zinc/35/08/97/494350897.db2.gz MAMCPBGIZZTBFO-UHFFFAOYSA-N 1 2 362.437 3.375 20 30 FGEDLO N#Cc1cccc(COc2ccc(NC(=O)Cn3cc[nH+]c3)cc2F)c1 ZINC000073353960 494361785 /nfs/dbraw/zinc/36/17/85/494361785.db2.gz YWDDCQZWFLLHIT-UHFFFAOYSA-N 1 2 350.353 3.112 20 30 FGEDLO CCCCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000044584762 494367115 /nfs/dbraw/zinc/36/71/15/494367115.db2.gz MKGPTONKMIIMOP-MRXNPFEDSA-N 1 2 353.470 3.163 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079256140 494425911 /nfs/dbraw/zinc/42/59/11/494425911.db2.gz FABCWPYESUARGN-MRXNPFEDSA-N 1 2 364.449 3.027 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000125950749 494585371 /nfs/dbraw/zinc/58/53/71/494585371.db2.gz SEDLTDLMJPYVRG-MAUKXSAKSA-N 1 2 369.465 3.352 20 30 FGEDLO C=CCOc1ccc(C[N@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000092360997 494604726 /nfs/dbraw/zinc/60/47/26/494604726.db2.gz QNNBSPPDABBPAS-OAHLLOKOSA-N 1 2 355.887 3.080 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000092360997 494604732 /nfs/dbraw/zinc/60/47/32/494604732.db2.gz QNNBSPPDABBPAS-OAHLLOKOSA-N 1 2 355.887 3.080 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000092567878 494670704 /nfs/dbraw/zinc/67/07/04/494670704.db2.gz CDFFIQZOHRDYIJ-UHFFFAOYSA-N 1 2 370.449 3.233 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(OC)cc(OC)cc1OC ZINC000092567878 494670713 /nfs/dbraw/zinc/67/07/13/494670713.db2.gz CDFFIQZOHRDYIJ-UHFFFAOYSA-N 1 2 370.449 3.233 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(OC)c1 ZINC000092596668 494682494 /nfs/dbraw/zinc/68/24/94/494682494.db2.gz PQCQLBKGPHGECA-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000047417620 494703159 /nfs/dbraw/zinc/70/31/59/494703159.db2.gz NRPJZYYHLXUTTM-INIZCTEOSA-N 1 2 364.449 3.027 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000025372938 494731271 /nfs/dbraw/zinc/73/12/71/494731271.db2.gz YMGNAIGRAPCMSS-UHFFFAOYSA-N 1 2 354.429 3.040 20 30 FGEDLO CC(C)(C)NC(=O)C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047558232 494735764 /nfs/dbraw/zinc/73/57/64/494735764.db2.gz WGXRZNKBGDXSOJ-UHFFFAOYSA-N 1 2 360.461 3.347 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326705 494761989 /nfs/dbraw/zinc/76/19/89/494761989.db2.gz FDBVZRZBQXCPDP-MRXNPFEDSA-N 1 2 351.903 3.192 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326705 494761995 /nfs/dbraw/zinc/76/19/95/494761995.db2.gz FDBVZRZBQXCPDP-MRXNPFEDSA-N 1 2 351.903 3.192 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CF)c1C#N ZINC000574296429 505740570 /nfs/dbraw/zinc/74/05/70/505740570.db2.gz JWCWIWGKSAAKEN-QGZVFWFLSA-N 1 2 354.429 3.338 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2CF)c1C#N ZINC000574296429 505740574 /nfs/dbraw/zinc/74/05/74/505740574.db2.gz JWCWIWGKSAAKEN-QGZVFWFLSA-N 1 2 354.429 3.338 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000131985078 494792012 /nfs/dbraw/zinc/79/20/12/494792012.db2.gz WTKNEYNSCVCBOE-GWCFXTLKSA-N 1 2 358.294 3.112 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000075552983 494792928 /nfs/dbraw/zinc/79/29/28/494792928.db2.gz NMRIAEUQNBKAFH-ZDUSSCGKSA-N 1 2 367.478 3.295 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@@H](C#N)C4CC4)cc3)[nH+]c12 ZINC000108828068 494793544 /nfs/dbraw/zinc/79/35/44/494793544.db2.gz MVSFUMKGJRYILK-IBGZPJMESA-N 1 2 360.417 3.254 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108857870 494796191 /nfs/dbraw/zinc/79/61/91/494796191.db2.gz UCOQYOVHZSEEBM-UHFFFAOYSA-N 1 2 373.460 3.295 20 30 FGEDLO CCOC(=O)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877887 494865194 /nfs/dbraw/zinc/86/51/94/494865194.db2.gz RBZTZTBGTXNVCV-UHFFFAOYSA-N 1 2 368.433 3.141 20 30 FGEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877887 494865197 /nfs/dbraw/zinc/86/51/97/494865197.db2.gz RBZTZTBGTXNVCV-UHFFFAOYSA-N 1 2 368.433 3.141 20 30 FGEDLO CN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)C1(C#N)CCCCC1 ZINC000027539761 494872047 /nfs/dbraw/zinc/87/20/47/494872047.db2.gz WDTLQXGDCNYDSS-OAQYLSRUSA-N 1 2 362.477 3.445 20 30 FGEDLO Cc1cc([C@@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)ccc1F ZINC000093637488 494904747 /nfs/dbraw/zinc/90/47/47/494904747.db2.gz PQZPUTXFFADNJC-IBGZPJMESA-N 1 2 350.397 3.227 20 30 FGEDLO C[C@]([NH2+]CC#Cc1ccc(F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127205257 494909579 /nfs/dbraw/zinc/90/95/79/494909579.db2.gz OVHMDOKYLHUXHE-GOSISDBHSA-N 1 2 364.342 3.186 20 30 FGEDLO COC(=O)[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000093920654 494935009 /nfs/dbraw/zinc/93/50/09/494935009.db2.gz QDNVYMMTYHCYGF-VMWRSERWSA-N 1 2 372.465 3.262 20 30 FGEDLO N#CCOc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000110657457 494999248 /nfs/dbraw/zinc/99/92/48/494999248.db2.gz GVJMGMYIXXTKKT-UHFFFAOYSA-N 1 2 370.478 3.213 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554976 495076689 /nfs/dbraw/zinc/07/66/89/495076689.db2.gz BEQJZPKRXQIPFF-UHFFFAOYSA-N 1 2 368.868 3.281 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(CCC(=O)N4CCCC4)cc3)n2c1 ZINC000123116165 495083347 /nfs/dbraw/zinc/08/33/47/495083347.db2.gz ZMKKYRNIVAPFGF-UHFFFAOYSA-N 1 2 373.460 3.373 20 30 FGEDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)ccc1F ZINC000128498754 495105763 /nfs/dbraw/zinc/10/57/63/495105763.db2.gz JWGILDRMMKNOIJ-QGZVFWFLSA-N 1 2 373.453 3.469 20 30 FGEDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)ccc1F ZINC000128498754 495105766 /nfs/dbraw/zinc/10/57/66/495105766.db2.gz JWGILDRMMKNOIJ-QGZVFWFLSA-N 1 2 373.453 3.469 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 ZINC000101921315 495108542 /nfs/dbraw/zinc/10/85/42/495108542.db2.gz BGXFZDAABSWKRB-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 ZINC000101921315 495108546 /nfs/dbraw/zinc/10/85/46/495108546.db2.gz BGXFZDAABSWKRB-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccc(C#N)cc1 ZINC000112338240 495176997 /nfs/dbraw/zinc/17/69/97/495176997.db2.gz IQQFILUVNFVMSQ-UHFFFAOYSA-N 1 2 354.410 3.378 20 30 FGEDLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccc(C#N)cc1 ZINC000112338240 495177001 /nfs/dbraw/zinc/17/70/01/495177001.db2.gz IQQFILUVNFVMSQ-UHFFFAOYSA-N 1 2 354.410 3.378 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129340765 495231502 /nfs/dbraw/zinc/23/15/02/495231502.db2.gz DRVARVCFWKUNCA-MAUKXSAKSA-N 1 2 355.438 3.180 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc1C#N ZINC000134976626 495233427 /nfs/dbraw/zinc/23/34/27/495233427.db2.gz YREQIMRNXXOCHZ-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc1C#N ZINC000134976626 495233430 /nfs/dbraw/zinc/23/34/30/495233430.db2.gz YREQIMRNXXOCHZ-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000135066776 495246507 /nfs/dbraw/zinc/24/65/07/495246507.db2.gz OHPQHVFDYAQERP-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1C#N ZINC000135066776 495246511 /nfs/dbraw/zinc/24/65/11/495246511.db2.gz OHPQHVFDYAQERP-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3OC)CC2)cc1C#N ZINC000135082288 495248623 /nfs/dbraw/zinc/24/86/23/495248623.db2.gz QZYFODBQGLMKEY-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C[C@@H](CC#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135124177 495253762 /nfs/dbraw/zinc/25/37/62/495253762.db2.gz DKZWFGPEEXYGBY-SWLSCSKDSA-N 1 2 350.260 3.004 20 30 FGEDLO C=CCNc1ncc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)s1 ZINC000129715156 495284864 /nfs/dbraw/zinc/28/48/64/495284864.db2.gz ZBWVDTWZVNRTHJ-UHFFFAOYSA-N 1 2 367.478 3.110 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000113319175 495296410 /nfs/dbraw/zinc/29/64/10/495296410.db2.gz FNBUFCXFRNRYIJ-OAQYLSRUSA-N 1 2 361.445 3.320 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000580514603 505775483 /nfs/dbraw/zinc/77/54/83/505775483.db2.gz XUGVSNMSYIKVDD-LPHOPBHVSA-N 1 2 373.497 3.077 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000580514603 505775486 /nfs/dbraw/zinc/77/54/86/505775486.db2.gz XUGVSNMSYIKVDD-LPHOPBHVSA-N 1 2 373.497 3.077 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000120315071 495350472 /nfs/dbraw/zinc/35/04/72/495350472.db2.gz YUKWCNBLPOULIO-MRXNPFEDSA-N 1 2 369.465 3.088 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000120347582 495357802 /nfs/dbraw/zinc/35/78/02/495357802.db2.gz HNPPQGXEOOFHKV-FNORWQNLSA-N 1 2 367.449 3.333 20 30 FGEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000120691737 495436264 /nfs/dbraw/zinc/43/62/64/495436264.db2.gz RMAHBWNBBIUQBT-CQSZACIVSA-N 1 2 356.426 3.082 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(C#N)cc3)CCCCC2)no1 ZINC000138848780 495468690 /nfs/dbraw/zinc/46/86/90/495468690.db2.gz TXKZLUICQSREOU-UHFFFAOYSA-N 1 2 353.426 3.028 20 30 FGEDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863170 495502153 /nfs/dbraw/zinc/50/21/53/495502153.db2.gz XEWFFGDRQOFSHL-BBRMVZONSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863170 495502157 /nfs/dbraw/zinc/50/21/57/495502157.db2.gz XEWFFGDRQOFSHL-BBRMVZONSA-N 1 2 361.511 3.062 20 30 FGEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131202957 495505603 /nfs/dbraw/zinc/50/56/03/495505603.db2.gz QKGJSCBDHXIKTO-UHFFFAOYSA-N 1 2 352.360 3.173 20 30 FGEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131202957 495505607 /nfs/dbraw/zinc/50/56/07/495505607.db2.gz QKGJSCBDHXIKTO-UHFFFAOYSA-N 1 2 352.360 3.173 20 30 FGEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534091 495514741 /nfs/dbraw/zinc/51/47/41/495514741.db2.gz JBHUIUQYNQABMM-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534091 495514744 /nfs/dbraw/zinc/51/47/44/495514744.db2.gz JBHUIUQYNQABMM-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000170646547 495544998 /nfs/dbraw/zinc/54/49/98/495544998.db2.gz BZDRKLHCCVFLJR-UHFFFAOYSA-N 1 2 363.461 3.482 20 30 FGEDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000571683301 505790248 /nfs/dbraw/zinc/79/02/48/505790248.db2.gz ZZFIEDFJYGEAAF-HXUWFJFHSA-N 1 2 350.418 3.316 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179768842 495727721 /nfs/dbraw/zinc/72/77/21/495727721.db2.gz JGUGMIYGMWFQJT-UHFFFAOYSA-N 1 2 361.424 3.410 20 30 FGEDLO C=CC[C@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000185891863 495767828 /nfs/dbraw/zinc/76/78/28/495767828.db2.gz RBDYGMJLHMXCNO-MRXNPFEDSA-N 1 2 367.474 3.293 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000155095663 495833434 /nfs/dbraw/zinc/83/34/34/495833434.db2.gz GKZGWWKPQVHVHY-ZWKOTPCHSA-N 1 2 366.490 3.302 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000155095663 495833439 /nfs/dbraw/zinc/83/34/39/495833439.db2.gz GKZGWWKPQVHVHY-ZWKOTPCHSA-N 1 2 366.490 3.302 20 30 FGEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000155249924 495892000 /nfs/dbraw/zinc/89/20/00/495892000.db2.gz GPWFUENJKOOHDI-MRXNPFEDSA-N 1 2 353.422 3.205 20 30 FGEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000155249924 495892003 /nfs/dbraw/zinc/89/20/03/495892003.db2.gz GPWFUENJKOOHDI-MRXNPFEDSA-N 1 2 353.422 3.205 20 30 FGEDLO Cn1cc(C[NH+]2CCN(Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183242831 495895674 /nfs/dbraw/zinc/89/56/74/495895674.db2.gz XCXVJWUTGHHYSE-UHFFFAOYSA-N 1 2 371.488 3.277 20 30 FGEDLO CCCn1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1C ZINC000155283510 495903988 /nfs/dbraw/zinc/90/39/88/495903988.db2.gz POWAWCZLNQHOSN-OAQYLSRUSA-N 1 2 351.498 3.292 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160192144 495905932 /nfs/dbraw/zinc/90/59/32/495905932.db2.gz OMRQQQZYQCFVOP-QGZVFWFLSA-N 1 2 352.438 3.094 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160192144 495905938 /nfs/dbraw/zinc/90/59/38/495905938.db2.gz OMRQQQZYQCFVOP-QGZVFWFLSA-N 1 2 352.438 3.094 20 30 FGEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000183572139 496035631 /nfs/dbraw/zinc/03/56/31/496035631.db2.gz OVMMPALWSACEQA-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177562470 496113483 /nfs/dbraw/zinc/11/34/83/496113483.db2.gz MSMXPWUSWMBTMD-UHFFFAOYSA-N 1 2 351.297 3.044 20 30 FGEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180798040 496150687 /nfs/dbraw/zinc/15/06/87/496150687.db2.gz LBDCTJVHJYANSS-UHFFFAOYSA-N 1 2 355.341 3.019 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2nccn2C)c1 ZINC000177683895 496158390 /nfs/dbraw/zinc/15/83/90/496158390.db2.gz JLNJTQWGGMEKKG-GOSISDBHSA-N 1 2 368.462 3.250 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000156435228 496244458 /nfs/dbraw/zinc/24/44/58/496244458.db2.gz NZIDCWROXICKRQ-UHFFFAOYSA-N 1 2 369.490 3.122 20 30 FGEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000161903858 496259513 /nfs/dbraw/zinc/25/95/13/496259513.db2.gz YFTRMHIINJKAOR-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156504275 496263841 /nfs/dbraw/zinc/26/38/41/496263841.db2.gz MKJOMVRUBQVKMM-SFHVURJKSA-N 1 2 350.466 3.101 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178191951 496364528 /nfs/dbraw/zinc/36/45/28/496364528.db2.gz UVRCSMUPDPAKEJ-UHFFFAOYSA-N 1 2 358.810 3.403 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000184530570 496425385 /nfs/dbraw/zinc/42/53/85/496425385.db2.gz LGXVNPAMRGLANY-RHSMWYFYSA-N 1 2 359.401 3.031 20 30 FGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CCCC1 ZINC000162940779 496437737 /nfs/dbraw/zinc/43/77/37/496437737.db2.gz WTSORPCWDOYPCX-GOSISDBHSA-N 1 2 354.429 3.236 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163471225 496519305 /nfs/dbraw/zinc/51/93/05/496519305.db2.gz MOJIBKUVOCVRDB-SFHVURJKSA-N 1 2 359.514 3.377 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163471225 496519309 /nfs/dbraw/zinc/51/93/09/496519309.db2.gz MOJIBKUVOCVRDB-SFHVURJKSA-N 1 2 359.514 3.377 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000181784177 496542738 /nfs/dbraw/zinc/54/27/38/496542738.db2.gz XIVZELRDLKNDHR-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000181784177 496542746 /nfs/dbraw/zinc/54/27/46/496542746.db2.gz XIVZELRDLKNDHR-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158158040 496640617 /nfs/dbraw/zinc/64/06/17/496640617.db2.gz IZUDODDTKZGECL-UHFFFAOYSA-N 1 2 367.449 3.329 20 30 FGEDLO COc1ccc([C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000165309643 496655278 /nfs/dbraw/zinc/65/52/78/496655278.db2.gz ULRYOEZKLIPQLN-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO Cc1nc2ccccc2nc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000176149737 496704599 /nfs/dbraw/zinc/70/45/99/496704599.db2.gz YATGJOFMYBWPEP-QFIPXVFZSA-N 1 2 357.461 3.321 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000194966884 496776304 /nfs/dbraw/zinc/77/63/04/496776304.db2.gz WSHMYTFERWBADM-UHFFFAOYSA-N 1 2 365.389 3.498 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cc1 ZINC000194966884 496776307 /nfs/dbraw/zinc/77/63/07/496776307.db2.gz WSHMYTFERWBADM-UHFFFAOYSA-N 1 2 365.389 3.498 20 30 FGEDLO C#CCCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273337461 496777971 /nfs/dbraw/zinc/77/79/71/496777971.db2.gz VUOYIIRAFCEMKU-UHFFFAOYSA-N 1 2 362.271 3.258 20 30 FGEDLO CC(C)c1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000263980162 496778987 /nfs/dbraw/zinc/77/89/87/496778987.db2.gz KHNGWAXPDKDWBZ-UHFFFAOYSA-N 1 2 354.479 3.096 20 30 FGEDLO COc1cc(OC)cc([C@@H](Nc2nccc(C)c2C#N)c2[nH+]ccn2C)c1 ZINC000273354013 496781969 /nfs/dbraw/zinc/78/19/69/496781969.db2.gz PPDNJCMAEGGSKL-GOSISDBHSA-N 1 2 363.421 3.214 20 30 FGEDLO CC[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@@H](C)C#N ZINC000191615592 496832483 /nfs/dbraw/zinc/83/24/83/496832483.db2.gz GIDUBKBOVUIIEE-AWEZNQCLSA-N 1 2 366.303 3.267 20 30 FGEDLO CC[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C[C@@H](C)C#N ZINC000191615592 496832487 /nfs/dbraw/zinc/83/24/87/496832487.db2.gz GIDUBKBOVUIIEE-AWEZNQCLSA-N 1 2 366.303 3.267 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000273714794 496882320 /nfs/dbraw/zinc/88/23/20/496882320.db2.gz QTUAKISOHWZGEF-ZIAGYGMSSA-N 1 2 357.483 3.141 20 30 FGEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000247638712 496898074 /nfs/dbraw/zinc/89/80/74/496898074.db2.gz FWSCYANUTQZEMI-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247666909 496903573 /nfs/dbraw/zinc/90/35/73/496903573.db2.gz QNJOCIABMANVBR-QRFRQXIXSA-N 1 2 366.465 3.268 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507860 496945303 /nfs/dbraw/zinc/94/53/03/496945303.db2.gz LCPIUOUPYRFQTG-GFCCVEGCSA-N 1 2 369.494 3.038 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3cccc(F)c3C#N)c[nH+]2)CC1 ZINC000189014228 496979113 /nfs/dbraw/zinc/97/91/13/496979113.db2.gz CCINGJCMVSNUEX-UHFFFAOYSA-N 1 2 352.413 3.259 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1F ZINC000192063484 496981654 /nfs/dbraw/zinc/98/16/54/496981654.db2.gz OGBKDSXJAHCVDH-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1F ZINC000192063484 496981659 /nfs/dbraw/zinc/98/16/59/496981659.db2.gz OGBKDSXJAHCVDH-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727642 497237074 /nfs/dbraw/zinc/23/70/74/497237074.db2.gz QXEBDAVLGYWYKA-AEFFLSMTSA-N 1 2 369.292 3.084 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727642 497237079 /nfs/dbraw/zinc/23/70/79/497237079.db2.gz QXEBDAVLGYWYKA-AEFFLSMTSA-N 1 2 369.292 3.084 20 30 FGEDLO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000275163954 497247438 /nfs/dbraw/zinc/24/74/38/497247438.db2.gz VDZLNMOVAFKDHS-KSSFIOAISA-N 1 2 358.461 3.078 20 30 FGEDLO CCc1ncc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000271095082 497263130 /nfs/dbraw/zinc/26/31/30/497263130.db2.gz MEYLNAZKPDBRPL-UHFFFAOYSA-N 1 2 369.450 3.147 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271151480 497274676 /nfs/dbraw/zinc/27/46/76/497274676.db2.gz KURNEGWZIMGECO-UHFFFAOYSA-N 1 2 365.403 3.427 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271151480 497274681 /nfs/dbraw/zinc/27/46/81/497274681.db2.gz KURNEGWZIMGECO-UHFFFAOYSA-N 1 2 365.403 3.427 20 30 FGEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000275422307 497320682 /nfs/dbraw/zinc/32/06/82/497320682.db2.gz HOTLMCPEYNXRFL-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO CCC[C@@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266609355 497381116 /nfs/dbraw/zinc/38/11/16/497381116.db2.gz HIRVFLORMKUABN-IERDGZPVSA-N 1 2 366.465 3.414 20 30 FGEDLO CCC[C@@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266609355 497381121 /nfs/dbraw/zinc/38/11/21/497381121.db2.gz HIRVFLORMKUABN-IERDGZPVSA-N 1 2 366.465 3.414 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Br)c(OC)s2)n1 ZINC000279329206 497408261 /nfs/dbraw/zinc/40/82/61/497408261.db2.gz CSRBJLVKYHPHDH-UHFFFAOYSA-N 1 2 368.300 3.371 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Br)c(OC)s2)n1 ZINC000279329206 497408267 /nfs/dbraw/zinc/40/82/67/497408267.db2.gz CSRBJLVKYHPHDH-UHFFFAOYSA-N 1 2 368.300 3.371 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245507273 497434483 /nfs/dbraw/zinc/43/44/83/497434483.db2.gz HZFAONSRBQVGLA-AOMKIAJQSA-N 1 2 361.445 3.059 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245507273 497434486 /nfs/dbraw/zinc/43/44/86/497434486.db2.gz HZFAONSRBQVGLA-AOMKIAJQSA-N 1 2 361.445 3.059 20 30 FGEDLO N#CCc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000271896377 497482932 /nfs/dbraw/zinc/48/29/32/497482932.db2.gz JBTQWCMJFFXGMI-UHFFFAOYSA-N 1 2 370.456 3.390 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245703461 497508987 /nfs/dbraw/zinc/50/89/87/497508987.db2.gz CTCKWECSJVWNDM-OALUTQOASA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000245703461 497508991 /nfs/dbraw/zinc/50/89/91/497508991.db2.gz CTCKWECSJVWNDM-OALUTQOASA-N 1 2 369.852 3.013 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190543916 497522772 /nfs/dbraw/zinc/52/27/72/497522772.db2.gz SBHODNWQCZDMKB-INIZCTEOSA-N 1 2 373.497 3.220 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000267327079 497527090 /nfs/dbraw/zinc/52/70/90/497527090.db2.gz IKLZHNALXWUJCN-WIBUTAKZSA-N 1 2 372.428 3.205 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000267327079 497527096 /nfs/dbraw/zinc/52/70/96/497527096.db2.gz IKLZHNALXWUJCN-WIBUTAKZSA-N 1 2 372.428 3.205 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000246084581 497616524 /nfs/dbraw/zinc/61/65/24/497616524.db2.gz CDYWUZKJKQFZHY-SQNIBIBYSA-N 1 2 353.384 3.325 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000246084581 497616528 /nfs/dbraw/zinc/61/65/28/497616528.db2.gz CDYWUZKJKQFZHY-SQNIBIBYSA-N 1 2 353.384 3.325 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000246104882 497622910 /nfs/dbraw/zinc/62/29/10/497622910.db2.gz IVTKSOFFDBBYER-VQIMIIECSA-N 1 2 367.497 3.201 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000246104882 497622912 /nfs/dbraw/zinc/62/29/12/497622912.db2.gz IVTKSOFFDBBYER-VQIMIIECSA-N 1 2 367.497 3.201 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000272487542 497641282 /nfs/dbraw/zinc/64/12/82/497641282.db2.gz SOWBBSYBXPKYEQ-UHFFFAOYSA-N 1 2 354.454 3.215 20 30 FGEDLO N#CC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCCCC1 ZINC000272590137 497673469 /nfs/dbraw/zinc/67/34/69/497673469.db2.gz FWELGQMOWBAVNZ-KRWDZBQOSA-N 1 2 352.438 3.369 20 30 FGEDLO N#CC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCCCC1 ZINC000272590137 497673476 /nfs/dbraw/zinc/67/34/76/497673476.db2.gz FWELGQMOWBAVNZ-KRWDZBQOSA-N 1 2 352.438 3.369 20 30 FGEDLO N#C[C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCN1Cc1ccccc1 ZINC000246303108 497689629 /nfs/dbraw/zinc/68/96/29/497689629.db2.gz CIQIUBGXJNOCHR-LJQANCHMSA-N 1 2 365.868 3.198 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947180 497695951 /nfs/dbraw/zinc/69/59/51/497695951.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947180 497695957 /nfs/dbraw/zinc/69/59/57/497695957.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000276947180 497695965 /nfs/dbraw/zinc/69/59/65/497695965.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000276947180 497695972 /nfs/dbraw/zinc/69/59/72/497695972.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n[nH]1 ZINC000276947180 497695978 /nfs/dbraw/zinc/69/59/78/497695978.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n[nH]1 ZINC000276947180 497695984 /nfs/dbraw/zinc/69/59/84/497695984.db2.gz TVEINUPLMJKPEQ-ZDUSSCGKSA-N 1 2 360.259 3.127 20 30 FGEDLO C=CCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000194605626 497716615 /nfs/dbraw/zinc/71/66/15/497716615.db2.gz MFNXMFKIDYJQOM-HOTGVXAUSA-N 1 2 363.527 3.337 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC2(CCC2)C1)c1ccccc1F ZINC000329539350 497824365 /nfs/dbraw/zinc/82/43/65/497824365.db2.gz VZWAOPFIZQFWIC-KRWDZBQOSA-N 1 2 372.444 3.065 20 30 FGEDLO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295930850 497857405 /nfs/dbraw/zinc/85/74/05/497857405.db2.gz IRDXAABRRYXFHL-SFHVURJKSA-N 1 2 371.485 3.011 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H](CCO)C1 ZINC000329796366 497904357 /nfs/dbraw/zinc/90/43/57/497904357.db2.gz GWELRVXNHSJIBW-HNNXBMFYSA-N 1 2 354.454 3.136 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[C@H]1O ZINC000329823920 497914198 /nfs/dbraw/zinc/91/41/98/497914198.db2.gz QKWLKYVGIAHMEI-RDTXWAMCSA-N 1 2 354.454 3.135 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCCC1 ZINC000329923023 497953649 /nfs/dbraw/zinc/95/36/49/497953649.db2.gz GSZDMABZEMBPAG-RDJZCZTQSA-N 1 2 366.481 3.430 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCCC1 ZINC000329923023 497953653 /nfs/dbraw/zinc/95/36/53/497953653.db2.gz GSZDMABZEMBPAG-RDJZCZTQSA-N 1 2 366.481 3.430 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000329956026 497968422 /nfs/dbraw/zinc/96/84/22/497968422.db2.gz PIRIDCKZGMDMRX-STECZYCISA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000329956026 497968430 /nfs/dbraw/zinc/96/84/30/497968430.db2.gz PIRIDCKZGMDMRX-STECZYCISA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000578503623 505956151 /nfs/dbraw/zinc/95/61/51/505956151.db2.gz BSQCEULDBTYQAX-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000578503623 505956155 /nfs/dbraw/zinc/95/61/55/505956155.db2.gz BSQCEULDBTYQAX-FQEVSTJZSA-N 1 2 355.482 3.051 20 30 FGEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)oc3ccccc34)C[C@H]21 ZINC000329954136 497968662 /nfs/dbraw/zinc/96/86/62/497968662.db2.gz JVKKXRBZSVIPKR-VQIMIIECSA-N 1 2 351.406 3.146 20 30 FGEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)oc3ccccc34)C[C@H]21 ZINC000329954136 497968668 /nfs/dbraw/zinc/96/86/68/497968668.db2.gz JVKKXRBZSVIPKR-VQIMIIECSA-N 1 2 351.406 3.146 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296264652 497976760 /nfs/dbraw/zinc/97/67/60/497976760.db2.gz AZFBDFDFZUFHMR-MRXNPFEDSA-N 1 2 353.426 3.305 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnc(C4OCCO4)s3)CC2)c1 ZINC000289007343 497976925 /nfs/dbraw/zinc/97/69/25/497976925.db2.gz FIPUVXGUUPPPGF-UHFFFAOYSA-N 1 2 371.462 3.104 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329984210 497980386 /nfs/dbraw/zinc/98/03/86/497980386.db2.gz QEGNQFCQZCMHDB-LISAXSMJSA-N 1 2 365.449 3.142 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329984210 497980390 /nfs/dbraw/zinc/98/03/90/497980390.db2.gz QEGNQFCQZCMHDB-LISAXSMJSA-N 1 2 365.449 3.142 20 30 FGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCc2ccccc21 ZINC000329992333 497982340 /nfs/dbraw/zinc/98/23/40/497982340.db2.gz XMFAQICNPBCESI-XYJFISCASA-N 1 2 356.445 3.019 20 30 FGEDLO Cn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC000569545843 505959507 /nfs/dbraw/zinc/95/95/07/505959507.db2.gz AVYCSLBZOIBDFD-HNNXBMFYSA-N 1 2 367.840 3.147 20 30 FGEDLO Cn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC000569545843 505959513 /nfs/dbraw/zinc/95/95/13/505959513.db2.gz AVYCSLBZOIBDFD-HNNXBMFYSA-N 1 2 367.840 3.147 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329998824 497985364 /nfs/dbraw/zinc/98/53/64/497985364.db2.gz SYOJURHDYZONDM-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329998824 497985369 /nfs/dbraw/zinc/98/53/69/497985369.db2.gz SYOJURHDYZONDM-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@@H]3C)n2)C1 ZINC000330067721 498009849 /nfs/dbraw/zinc/00/98/49/498009849.db2.gz URDFSVYGOYMPHC-KBPBESRZSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@@H]3C)n2)C1 ZINC000330067721 498009855 /nfs/dbraw/zinc/00/98/55/498009855.db2.gz URDFSVYGOYMPHC-KBPBESRZSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129042 498031072 /nfs/dbraw/zinc/03/10/72/498031072.db2.gz OBJOFXHEGNDZJB-SNUQEOBHSA-N 1 2 354.397 3.211 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129042 498031081 /nfs/dbraw/zinc/03/10/81/498031081.db2.gz OBJOFXHEGNDZJB-SNUQEOBHSA-N 1 2 354.397 3.211 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(F)c1 ZINC000330134670 498034728 /nfs/dbraw/zinc/03/47/28/498034728.db2.gz SCSQIOIADIDCDZ-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(F)c1 ZINC000330134670 498034732 /nfs/dbraw/zinc/03/47/32/498034732.db2.gz SCSQIOIADIDCDZ-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000330248632 498078906 /nfs/dbraw/zinc/07/89/06/498078906.db2.gz GGJRKTSXHPNPDO-CABCVRRESA-N 1 2 371.489 3.033 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000285535416 498120261 /nfs/dbraw/zinc/12/02/61/498120261.db2.gz FQFAHSVXZVBQCS-UWCWSIQASA-N 1 2 364.440 3.330 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC1CCC(F)(F)CC1 ZINC000330509310 498144817 /nfs/dbraw/zinc/14/48/17/498144817.db2.gz PDBDCQARILMYAZ-UHFFFAOYSA-N 1 2 354.323 3.369 20 30 FGEDLO COc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1O ZINC000330750255 498186344 /nfs/dbraw/zinc/18/63/44/498186344.db2.gz URHJWBGCVPBQFQ-TXEJJXNPSA-N 1 2 370.877 3.247 20 30 FGEDLO COc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1O ZINC000330750255 498186352 /nfs/dbraw/zinc/18/63/52/498186352.db2.gz URHJWBGCVPBQFQ-TXEJJXNPSA-N 1 2 370.877 3.247 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301616911 498189250 /nfs/dbraw/zinc/18/92/50/498189250.db2.gz CEYPTKWOIBPIPK-YADHBBJMSA-N 1 2 370.456 3.196 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301616911 498189255 /nfs/dbraw/zinc/18/92/55/498189255.db2.gz CEYPTKWOIBPIPK-YADHBBJMSA-N 1 2 370.456 3.196 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289551482 498189886 /nfs/dbraw/zinc/18/98/86/498189886.db2.gz NCENQQVAVIJBAI-JQFCIGGWSA-N 1 2 357.454 3.129 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289551482 498189890 /nfs/dbraw/zinc/18/98/90/498189890.db2.gz NCENQQVAVIJBAI-JQFCIGGWSA-N 1 2 357.454 3.129 20 30 FGEDLO N#Cc1cccc(Cl)c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301669465 498215908 /nfs/dbraw/zinc/21/59/08/498215908.db2.gz YFBPQFCWLPVSML-MOPGFXCFSA-N 1 2 353.853 3.301 20 30 FGEDLO N#Cc1cccc(Cl)c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301669465 498215911 /nfs/dbraw/zinc/21/59/11/498215911.db2.gz YFBPQFCWLPVSML-MOPGFXCFSA-N 1 2 353.853 3.301 20 30 FGEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(Cl)c1 ZINC000578694774 505998457 /nfs/dbraw/zinc/99/84/57/505998457.db2.gz FVVRNZXETXXKNL-SFHVURJKSA-N 1 2 358.825 3.476 20 30 FGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297068787 498310781 /nfs/dbraw/zinc/31/07/81/498310781.db2.gz JIJSSYYFHLNDLS-GFCCVEGCSA-N 1 2 373.363 3.023 20 30 FGEDLO Cc1nnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000301898399 498317828 /nfs/dbraw/zinc/31/78/28/498317828.db2.gz RZZPURMLKBIZFB-QZTJIDSGSA-N 1 2 371.872 3.102 20 30 FGEDLO Cc1nnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000301898399 498317832 /nfs/dbraw/zinc/31/78/32/498317832.db2.gz RZZPURMLKBIZFB-QZTJIDSGSA-N 1 2 371.872 3.102 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H](Nc3nc(N)c4ccccc4[nH+]3)C2)c(F)c1 ZINC000301901481 498318919 /nfs/dbraw/zinc/31/89/19/498318919.db2.gz NIXWCCZTFMNEAS-AWEZNQCLSA-N 1 2 362.412 3.304 20 30 FGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000293450269 498389833 /nfs/dbraw/zinc/38/98/33/498389833.db2.gz KNHRLQXDJVONCI-BLLLJJGKSA-N 1 2 352.265 3.443 20 30 FGEDLO Cc1cc(Cl)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000297320639 498403686 /nfs/dbraw/zinc/40/36/86/498403686.db2.gz HOJHLJMRHDHXRQ-UHFFFAOYSA-N 1 2 364.877 3.037 20 30 FGEDLO Cc1cccc([C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000302194158 498435865 /nfs/dbraw/zinc/43/58/65/498435865.db2.gz CZOALHIPOUDUSQ-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO Cc1onc(CC(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1C#N ZINC000331896819 498492710 /nfs/dbraw/zinc/49/27/10/498492710.db2.gz UQLMFCOCIDFISN-CYBMUJFWSA-N 1 2 353.426 3.118 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000294251613 498634081 /nfs/dbraw/zinc/63/40/81/498634081.db2.gz UOJTZUBRIIHJJP-QGZVFWFLSA-N 1 2 357.502 3.115 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365840877 498665934 /nfs/dbraw/zinc/66/59/34/498665934.db2.gz OAMCVUBPTJPQNZ-HOTGVXAUSA-N 1 2 369.494 3.020 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365840877 498665937 /nfs/dbraw/zinc/66/59/37/498665937.db2.gz OAMCVUBPTJPQNZ-HOTGVXAUSA-N 1 2 369.494 3.020 20 30 FGEDLO C=CC[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000303344684 498666935 /nfs/dbraw/zinc/66/69/35/498666935.db2.gz MHPHWIJSEZIXAK-SFHVURJKSA-N 1 2 365.539 3.428 20 30 FGEDLO C=CC[N@H+](CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000303344684 498666938 /nfs/dbraw/zinc/66/69/38/498666938.db2.gz MHPHWIJSEZIXAK-SFHVURJKSA-N 1 2 365.539 3.428 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363232799 498716702 /nfs/dbraw/zinc/71/67/02/498716702.db2.gz XRRHRKIWLNLJTM-IIBYNOLFSA-N 1 2 371.444 3.187 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363232799 498716710 /nfs/dbraw/zinc/71/67/10/498716710.db2.gz XRRHRKIWLNLJTM-IIBYNOLFSA-N 1 2 371.444 3.187 20 30 FGEDLO CCCc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC000581888437 506083727 /nfs/dbraw/zinc/08/37/27/506083727.db2.gz GKAAYEYJUKMKGC-HNNXBMFYSA-N 1 2 362.437 3.483 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000366099076 498774225 /nfs/dbraw/zinc/77/42/25/498774225.db2.gz QHJCEJZADSODJO-SJLPKXTDSA-N 1 2 369.465 3.109 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000366097724 498774770 /nfs/dbraw/zinc/77/47/70/498774770.db2.gz RMMUSFJLEVBPAM-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000366097724 498774778 /nfs/dbraw/zinc/77/47/78/498774778.db2.gz RMMUSFJLEVBPAM-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO CSCc1cnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000294783673 498804055 /nfs/dbraw/zinc/80/40/55/498804055.db2.gz BXUZXCTWJPHXPI-UHFFFAOYSA-N 1 2 358.536 3.196 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000287586282 498805629 /nfs/dbraw/zinc/80/56/29/498805629.db2.gz CNVYORXTFRWDCY-HUUCEWRRSA-N 1 2 353.285 3.027 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000287586282 498805635 /nfs/dbraw/zinc/80/56/35/498805635.db2.gz CNVYORXTFRWDCY-HUUCEWRRSA-N 1 2 353.285 3.027 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000298546374 498809759 /nfs/dbraw/zinc/80/97/59/498809759.db2.gz BWVAEIZKXQSZOD-UHFFFAOYSA-N 1 2 359.323 3.075 20 30 FGEDLO CCOC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1cccc(C)c1C ZINC000573007626 506098120 /nfs/dbraw/zinc/09/81/20/506098120.db2.gz GUNBURKRKWCCPZ-FQEVSTJZSA-N 1 2 362.433 3.217 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000291209002 498844289 /nfs/dbraw/zinc/84/42/89/498844289.db2.gz MOGHHUPLHORRGO-LBPRGKRZSA-N 1 2 354.472 3.201 20 30 FGEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1C ZINC000298748053 498867795 /nfs/dbraw/zinc/86/77/95/498867795.db2.gz LXXQUMMGPBXGCM-GOSISDBHSA-N 1 2 374.444 3.342 20 30 FGEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1C ZINC000298748053 498867803 /nfs/dbraw/zinc/86/78/03/498867803.db2.gz LXXQUMMGPBXGCM-GOSISDBHSA-N 1 2 374.444 3.342 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363540540 498868739 /nfs/dbraw/zinc/86/87/39/498868739.db2.gz XTZLPTDNPFMNCH-UHFFFAOYSA-N 1 2 368.412 3.023 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCN1c3ccccc3C[C@@H]1C)CCC2 ZINC000328659286 498892931 /nfs/dbraw/zinc/89/29/31/498892931.db2.gz SLPGGTVRKRPDGV-WMZOPIPTSA-N 1 2 367.497 3.024 20 30 FGEDLO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)c1 ZINC000363615629 498906115 /nfs/dbraw/zinc/90/61/15/498906115.db2.gz MYEQIDMRYCVQPH-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328738731 498921860 /nfs/dbraw/zinc/92/18/60/498921860.db2.gz MHJAJUQZKWDKEM-UONOGXRCSA-N 1 2 370.419 3.414 20 30 FGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803583 498944754 /nfs/dbraw/zinc/94/47/54/498944754.db2.gz KBIDIOIUCHDZCQ-HIFRSBDPSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803583 498944762 /nfs/dbraw/zinc/94/47/62/498944762.db2.gz KBIDIOIUCHDZCQ-HIFRSBDPSA-N 1 2 361.442 3.167 20 30 FGEDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074322 498956879 /nfs/dbraw/zinc/95/68/79/498956879.db2.gz FNULEWCWGYKAMA-YJBOKZPZSA-N 1 2 354.454 3.023 20 30 FGEDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074322 498956883 /nfs/dbraw/zinc/95/68/83/498956883.db2.gz FNULEWCWGYKAMA-YJBOKZPZSA-N 1 2 354.454 3.023 20 30 FGEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCCC12CCCCC2 ZINC000328847023 498959730 /nfs/dbraw/zinc/95/97/30/498959730.db2.gz XVGGTKXMDYMOCE-UHFFFAOYSA-N 1 2 358.486 3.131 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000328930449 498988863 /nfs/dbraw/zinc/98/88/63/498988863.db2.gz AQXLDWALHKWTIR-IIZPIQPGSA-N 1 2 372.509 3.264 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C2CC2)cc1 ZINC000328930449 498988869 /nfs/dbraw/zinc/98/88/69/498988869.db2.gz AQXLDWALHKWTIR-IIZPIQPGSA-N 1 2 372.509 3.264 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932115 498990147 /nfs/dbraw/zinc/99/01/47/498990147.db2.gz BMGBSTYEZJHNIS-KBAYOESNSA-N 1 2 350.434 3.238 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932115 498990153 /nfs/dbraw/zinc/99/01/53/498990153.db2.gz BMGBSTYEZJHNIS-KBAYOESNSA-N 1 2 350.434 3.238 20 30 FGEDLO N#C[C@]1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC12CCCC2 ZINC000333457777 499008607 /nfs/dbraw/zinc/00/86/07/499008607.db2.gz TVSILFZGGKTNGW-NRFANRHFSA-N 1 2 352.482 3.399 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329011265 499015019 /nfs/dbraw/zinc/01/50/19/499015019.db2.gz ORYQZEFQGQALSC-CTNGQTDRSA-N 1 2 366.465 3.189 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000363829580 499015313 /nfs/dbraw/zinc/01/53/13/499015313.db2.gz ZMGIVFAJALMIDS-OALUTQOASA-N 1 2 359.433 3.316 20 30 FGEDLO N#CCCn1cc(C[NH+]2CC(O)(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000291684753 499034237 /nfs/dbraw/zinc/03/42/37/499034237.db2.gz XMAWIYVQDIFMGT-UHFFFAOYSA-N 1 2 358.445 3.167 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366705770 499041747 /nfs/dbraw/zinc/04/17/47/499041747.db2.gz VQEXXRXXCFGDDO-AWEZNQCLSA-N 1 2 356.401 3.042 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)c3ccccc32)CCO1 ZINC000329127463 499050429 /nfs/dbraw/zinc/05/04/29/499050429.db2.gz ZARILQAWZVOIQE-AZOIQLNYSA-N 1 2 353.422 3.357 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000363916581 499051774 /nfs/dbraw/zinc/05/17/74/499051774.db2.gz BFYFXFHXFLJNOB-QGZVFWFLSA-N 1 2 369.494 3.120 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000363916581 499051779 /nfs/dbraw/zinc/05/17/79/499051779.db2.gz BFYFXFHXFLJNOB-QGZVFWFLSA-N 1 2 369.494 3.120 20 30 FGEDLO CC(C)[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000329233205 499079818 /nfs/dbraw/zinc/07/98/18/499079818.db2.gz GRQLQGVFGRPVBX-OAHLLOKOSA-N 1 2 352.504 3.031 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692139 499081777 /nfs/dbraw/zinc/08/17/77/499081777.db2.gz DLTDMPHOUOORMN-PBHICJAKSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692139 499081782 /nfs/dbraw/zinc/08/17/82/499081782.db2.gz DLTDMPHOUOORMN-PBHICJAKSA-N 1 2 352.438 3.370 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC000329275111 499089786 /nfs/dbraw/zinc/08/97/86/499089786.db2.gz BLTRAIZLSCUSFD-HNNXBMFYSA-N 1 2 364.453 3.081 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848370 499093284 /nfs/dbraw/zinc/09/32/84/499093284.db2.gz WOVZYXNMCXBYOF-MSOLQXFVSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848370 499093288 /nfs/dbraw/zinc/09/32/88/499093288.db2.gz WOVZYXNMCXBYOF-MSOLQXFVSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865959 499098879 /nfs/dbraw/zinc/09/88/79/499098879.db2.gz PWZVZMZDGHKCDZ-IUODEOHRSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865959 499098881 /nfs/dbraw/zinc/09/88/81/499098881.db2.gz PWZVZMZDGHKCDZ-IUODEOHRSA-N 1 2 360.845 3.170 20 30 FGEDLO CC(C)(C)c1cc(N2CCC(n3cnc(C#N)n3)CC2)nc(C(C)(C)C)[nH+]1 ZINC000366879077 499103903 /nfs/dbraw/zinc/10/39/03/499103903.db2.gz JYUKZFLNNHGRPU-UHFFFAOYSA-N 1 2 367.501 3.376 20 30 FGEDLO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc2[nH]cnc2cc1F ZINC000329356111 499107258 /nfs/dbraw/zinc/10/72/58/499107258.db2.gz FSIYKMZKFJQREB-UHFFFAOYSA-N 1 2 374.460 3.289 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000329382193 499112407 /nfs/dbraw/zinc/11/24/07/499112407.db2.gz OHUHBJNUDAJSDG-HNNXBMFYSA-N 1 2 366.469 3.421 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1Cl ZINC000329483986 499127564 /nfs/dbraw/zinc/12/75/64/499127564.db2.gz FMKXYLUDUBFSKY-VQIMIIECSA-N 1 2 366.889 3.457 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1Cl ZINC000329483986 499127566 /nfs/dbraw/zinc/12/75/66/499127566.db2.gz FMKXYLUDUBFSKY-VQIMIIECSA-N 1 2 366.889 3.457 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329491363 499127958 /nfs/dbraw/zinc/12/79/58/499127958.db2.gz ZFTBXERGCZZKMV-INIZCTEOSA-N 1 2 373.497 3.258 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329491363 499127959 /nfs/dbraw/zinc/12/79/59/499127959.db2.gz ZFTBXERGCZZKMV-INIZCTEOSA-N 1 2 373.497 3.258 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCOc3cc(F)ccc32)C1 ZINC000329503892 499128418 /nfs/dbraw/zinc/12/84/18/499128418.db2.gz WLTQQKMNOLQOPU-CJNGLKHVSA-N 1 2 358.417 3.176 20 30 FGEDLO Cc1ccncc1C1=CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000369853105 499139299 /nfs/dbraw/zinc/13/92/99/499139299.db2.gz PSAUZJXSBOXMIN-KRWDZBQOSA-N 1 2 352.482 3.210 20 30 FGEDLO Cc1ccncc1C1=CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000369853105 499139300 /nfs/dbraw/zinc/13/93/00/499139300.db2.gz PSAUZJXSBOXMIN-KRWDZBQOSA-N 1 2 352.482 3.210 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000372604933 499152713 /nfs/dbraw/zinc/15/27/13/499152713.db2.gz SJCLKZDVWSDRDY-NHCUHLMSSA-N 1 2 350.466 3.157 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000372604933 499152714 /nfs/dbraw/zinc/15/27/14/499152714.db2.gz SJCLKZDVWSDRDY-NHCUHLMSSA-N 1 2 350.466 3.157 20 30 FGEDLO N#CCC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000372643779 499157120 /nfs/dbraw/zinc/15/71/20/499157120.db2.gz HEFGBHMIZMMCQV-UHFFFAOYSA-N 1 2 357.351 3.208 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000372781241 499174699 /nfs/dbraw/zinc/17/46/99/499174699.db2.gz MRIXTLCZWQVWRN-OAHLLOKOSA-N 1 2 371.510 3.468 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000372781241 499174700 /nfs/dbraw/zinc/17/47/00/499174700.db2.gz MRIXTLCZWQVWRN-OAHLLOKOSA-N 1 2 371.510 3.468 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370121743 499183737 /nfs/dbraw/zinc/18/37/37/499183737.db2.gz VEYKKGHPHVMIJW-RXVVDRJESA-N 1 2 365.481 3.002 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000370121743 499183739 /nfs/dbraw/zinc/18/37/39/499183739.db2.gz VEYKKGHPHVMIJW-RXVVDRJESA-N 1 2 365.481 3.002 20 30 FGEDLO C#C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367817406 499235518 /nfs/dbraw/zinc/23/55/18/499235518.db2.gz YBVNTUWATDPZGC-WBMJQRKESA-N 1 2 360.820 3.086 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000370739019 499250058 /nfs/dbraw/zinc/25/00/58/499250058.db2.gz LPQXZHWTRNLMRR-INIZCTEOSA-N 1 2 352.413 3.483 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000367999822 499253751 /nfs/dbraw/zinc/25/37/51/499253751.db2.gz WDWNONLYLZTMPR-UYAOXDASSA-N 1 2 358.449 3.024 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)CCC2 ZINC000370953909 499273905 /nfs/dbraw/zinc/27/39/05/499273905.db2.gz PHXIZXWRYQGVGB-MJGOQNOKSA-N 1 2 366.465 3.160 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812050 499335588 /nfs/dbraw/zinc/33/55/88/499335588.db2.gz FSKFZZXDUILQSP-ZIAGYGMSSA-N 1 2 358.417 3.115 20 30 FGEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000369084158 499364036 /nfs/dbraw/zinc/36/40/36/499364036.db2.gz LJLUSDVICOZZFH-HNNXBMFYSA-N 1 2 350.344 3.250 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccn3)CC2)c(C#N)c1C ZINC000369096428 499365179 /nfs/dbraw/zinc/36/51/79/499365179.db2.gz QVBYBSUWVXBZGN-HNNXBMFYSA-N 1 2 366.465 3.445 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C#N)oc3C)CC2)cc1 ZINC000369178150 499375040 /nfs/dbraw/zinc/37/50/40/499375040.db2.gz JAQROORFKNGSPT-UHFFFAOYSA-N 1 2 353.422 3.209 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)ccc1F ZINC000371960276 499384305 /nfs/dbraw/zinc/38/43/05/499384305.db2.gz RSNYIJHXTQBDJK-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)ccc1F ZINC000371960276 499384306 /nfs/dbraw/zinc/38/43/06/499384306.db2.gz RSNYIJHXTQBDJK-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn(CCCC#N)c3ccccc13)C2 ZINC000369350514 499394220 /nfs/dbraw/zinc/39/42/20/499394220.db2.gz UNRUJEXSTGNJNJ-MRXNPFEDSA-N 1 2 361.449 3.195 20 30 FGEDLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372420896 499432642 /nfs/dbraw/zinc/43/26/42/499432642.db2.gz PCFRHFQQNQOQSR-UHFFFAOYSA-N 1 2 370.460 3.440 20 30 FGEDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372420896 499432644 /nfs/dbraw/zinc/43/26/44/499432644.db2.gz PCFRHFQQNQOQSR-UHFFFAOYSA-N 1 2 370.460 3.440 20 30 FGEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000372443824 499435502 /nfs/dbraw/zinc/43/55/02/499435502.db2.gz XGNNEPKHYMNVDG-NRFANRHFSA-N 1 2 363.461 3.042 20 30 FGEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000372443824 499435503 /nfs/dbraw/zinc/43/55/03/499435503.db2.gz XGNNEPKHYMNVDG-NRFANRHFSA-N 1 2 363.461 3.042 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378361292 499506986 /nfs/dbraw/zinc/50/69/86/499506986.db2.gz NNRQEMQITDNEAN-UHFFFAOYSA-N 1 2 361.449 3.018 20 30 FGEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000375658150 499541893 /nfs/dbraw/zinc/54/18/93/499541893.db2.gz PJQMUWICVMUFQD-OAHLLOKOSA-N 1 2 350.344 3.250 20 30 FGEDLO N#C[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCc2ccccc2C1 ZINC000376177245 499589058 /nfs/dbraw/zinc/58/90/58/499589058.db2.gz GIYMHQKVBZYKFA-QHCPKHFHSA-N 1 2 374.488 3.387 20 30 FGEDLO C[S@@](=O)C[C@H]([NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000376359001 499602622 /nfs/dbraw/zinc/60/26/22/499602622.db2.gz JGHXFOUUVGBQRL-HFJWLAOPSA-N 1 2 365.458 3.423 20 30 FGEDLO N#C[C@@H]1[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@@]12CCCCO2 ZINC000377119550 499663669 /nfs/dbraw/zinc/66/36/69/499663669.db2.gz JYHDXVCYSCJYKW-CBQOVEMMSA-N 1 2 367.493 3.076 20 30 FGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@@]12CCCCO2 ZINC000377119550 499663671 /nfs/dbraw/zinc/66/36/71/499663671.db2.gz JYHDXVCYSCJYKW-CBQOVEMMSA-N 1 2 367.493 3.076 20 30 FGEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000411205169 499710848 /nfs/dbraw/zinc/71/08/48/499710848.db2.gz ZYAKALPDCXBUFQ-HNNXBMFYSA-N 1 2 367.449 3.425 20 30 FGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000411205169 499710850 /nfs/dbraw/zinc/71/08/50/499710850.db2.gz ZYAKALPDCXBUFQ-HNNXBMFYSA-N 1 2 367.449 3.425 20 30 FGEDLO Cc1cnc([C@H](C)[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000428973994 499972316 /nfs/dbraw/zinc/97/23/16/499972316.db2.gz ZASWQDABJXNKDR-HNAYVOBHSA-N 1 2 355.873 3.382 20 30 FGEDLO Cc1cc(N2CCN(c3nccc(C#N)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000429217935 500025854 /nfs/dbraw/zinc/02/58/54/500025854.db2.gz UGSZONAHQUROSI-UHFFFAOYSA-N 1 2 356.861 3.155 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429234728 500028712 /nfs/dbraw/zinc/02/87/12/500028712.db2.gz HIAXYEJDUGCSJF-SJORKVTESA-N 1 2 372.488 3.067 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429234728 500028715 /nfs/dbraw/zinc/02/87/15/500028715.db2.gz HIAXYEJDUGCSJF-SJORKVTESA-N 1 2 372.488 3.067 20 30 FGEDLO COc1cc(NC2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc(OC)c1 ZINC000425224514 500049033 /nfs/dbraw/zinc/04/90/33/500049033.db2.gz DPVQHDCBGPNJKT-UHFFFAOYSA-N 1 2 352.438 3.360 20 30 FGEDLO CCCOc1c(OC)cc(CCNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425270077 500061337 /nfs/dbraw/zinc/06/13/37/500061337.db2.gz SPEZQIUWPDGGPI-UHFFFAOYSA-N 1 2 355.438 3.144 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000413830501 500069769 /nfs/dbraw/zinc/06/97/69/500069769.db2.gz XWHDZTXDTZKNIN-OAQYLSRUSA-N 1 2 364.493 3.096 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570503026 506182411 /nfs/dbraw/zinc/18/24/11/506182411.db2.gz HIUWXLBWBHNELC-KBAYOESNSA-N 1 2 364.449 3.260 20 30 FGEDLO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570518502 506184976 /nfs/dbraw/zinc/18/49/76/506184976.db2.gz CRKBMSHLBDCFTL-FQEVSTJZSA-N 1 2 370.522 3.351 20 30 FGEDLO N#CCC1(CNC(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000430859485 500297318 /nfs/dbraw/zinc/29/73/18/500297318.db2.gz WEJSLPGYKHMMQO-UHFFFAOYSA-N 1 2 351.454 3.009 20 30 FGEDLO N#CCCC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000431445511 500378408 /nfs/dbraw/zinc/37/84/08/500378408.db2.gz NFNCOZOTYLUNIL-OALUTQOASA-N 1 2 363.465 3.395 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419638416 500386580 /nfs/dbraw/zinc/38/65/80/500386580.db2.gz GUEBPEYUMKGGAY-OAHLLOKOSA-N 1 2 360.889 3.422 20 30 FGEDLO C=CCC[C@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000419931097 500407867 /nfs/dbraw/zinc/40/78/67/500407867.db2.gz ZQYYSXIYHVOAJI-CABCVRRESA-N 1 2 358.829 3.050 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000582372791 506197839 /nfs/dbraw/zinc/19/78/39/506197839.db2.gz PJIUIIIORLVFJT-GOSISDBHSA-N 1 2 354.429 3.330 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCOCC1 ZINC000424584148 500521397 /nfs/dbraw/zinc/52/13/97/500521397.db2.gz AADGVXLMOKVALZ-UHFFFAOYSA-N 1 2 357.498 3.451 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000420895292 500524599 /nfs/dbraw/zinc/52/45/99/500524599.db2.gz YUXLVTAEFZNSLD-UHFFFAOYSA-N 1 2 357.483 3.218 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582393535 506201024 /nfs/dbraw/zinc/20/10/24/506201024.db2.gz LZTASMBPKUVVKH-QGZVFWFLSA-N 1 2 351.454 3.006 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582393535 506201025 /nfs/dbraw/zinc/20/10/25/506201025.db2.gz LZTASMBPKUVVKH-QGZVFWFLSA-N 1 2 351.454 3.006 20 30 FGEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1C1CC1 ZINC000428794326 500558138 /nfs/dbraw/zinc/55/81/38/500558138.db2.gz MXNIIVSYEFTLDW-GOSISDBHSA-N 1 2 364.449 3.043 20 30 FGEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1C1CC1 ZINC000428794326 500558141 /nfs/dbraw/zinc/55/81/41/500558141.db2.gz MXNIIVSYEFTLDW-GOSISDBHSA-N 1 2 364.449 3.043 20 30 FGEDLO C=CCCn1cc(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)nn1 ZINC000424792746 500564282 /nfs/dbraw/zinc/56/42/82/500564282.db2.gz RQRBIMXHJHLWIO-OAHLLOKOSA-N 1 2 354.458 3.189 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432926345 500592653 /nfs/dbraw/zinc/59/26/53/500592653.db2.gz FRQMNBSEZYOLNF-OAHLLOKOSA-N 1 2 352.344 3.437 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000437602987 500667219 /nfs/dbraw/zinc/66/72/19/500667219.db2.gz NNPXRTWLALRYPV-LJQANCHMSA-N 1 2 359.433 3.221 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000437602987 500667220 /nfs/dbraw/zinc/66/72/20/500667220.db2.gz NNPXRTWLALRYPV-LJQANCHMSA-N 1 2 359.433 3.221 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000437646538 500675411 /nfs/dbraw/zinc/67/54/11/500675411.db2.gz OYZUNTUDWZVJJC-LPHOPBHVSA-N 1 2 356.470 3.015 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437892384 500712684 /nfs/dbraw/zinc/71/26/84/500712684.db2.gz SGODSRAFBRFZAP-SJORKVTESA-N 1 2 373.440 3.345 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437892384 500712687 /nfs/dbraw/zinc/71/26/87/500712687.db2.gz SGODSRAFBRFZAP-SJORKVTESA-N 1 2 373.440 3.345 20 30 FGEDLO Cn1c(CCNc2ccc(C(F)(F)F)c(C#N)n2)[nH+]c2ccc(F)cc21 ZINC000443520750 500734305 /nfs/dbraw/zinc/73/43/05/500734305.db2.gz GNDNBDKJZVZOII-UHFFFAOYSA-N 1 2 363.318 3.074 20 30 FGEDLO Cn1c2ccccc2[nH+]c1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000443967953 500785100 /nfs/dbraw/zinc/78/51/00/500785100.db2.gz WAYGBIDOBCSGOE-UHFFFAOYSA-N 1 2 351.841 3.425 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434364190 500832154 /nfs/dbraw/zinc/83/21/54/500832154.db2.gz VCSILEWFNWSASV-KRWDZBQOSA-N 1 2 374.444 3.081 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434364193 500832370 /nfs/dbraw/zinc/83/23/70/500832370.db2.gz VCSILEWFNWSASV-QGZVFWFLSA-N 1 2 374.444 3.081 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434617706 500867030 /nfs/dbraw/zinc/86/70/30/500867030.db2.gz MMBGVAAMYIHPMQ-TZQQIIETSA-N 1 2 373.472 3.339 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434617706 500867033 /nfs/dbraw/zinc/86/70/33/500867033.db2.gz MMBGVAAMYIHPMQ-TZQQIIETSA-N 1 2 373.472 3.339 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434665375 500876175 /nfs/dbraw/zinc/87/61/75/500876175.db2.gz MBZNJIAXZQURAP-YCRPNKLZSA-N 1 2 373.472 3.163 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000448957251 500880295 /nfs/dbraw/zinc/88/02/95/500880295.db2.gz UVKCDQFPUYYOEW-MSOLQXFVSA-N 1 2 357.479 3.305 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000448957251 500880298 /nfs/dbraw/zinc/88/02/98/500880298.db2.gz UVKCDQFPUYYOEW-MSOLQXFVSA-N 1 2 357.479 3.305 20 30 FGEDLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CCC#N ZINC000439322252 500884731 /nfs/dbraw/zinc/88/47/31/500884731.db2.gz CZWMNOGXVKSWHD-CYBMUJFWSA-N 1 2 352.276 3.032 20 30 FGEDLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CCC#N ZINC000439322252 500884733 /nfs/dbraw/zinc/88/47/33/500884733.db2.gz CZWMNOGXVKSWHD-CYBMUJFWSA-N 1 2 352.276 3.032 20 30 FGEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444776073 500897225 /nfs/dbraw/zinc/89/72/25/500897225.db2.gz KUEDFBZOTBWAQT-AWEZNQCLSA-N 1 2 362.905 3.027 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000444782480 500899622 /nfs/dbraw/zinc/89/96/22/500899622.db2.gz COJMLJJZHOVYAH-HXUWFJFHSA-N 1 2 368.437 3.306 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000444782480 500899624 /nfs/dbraw/zinc/89/96/24/500899624.db2.gz COJMLJJZHOVYAH-HXUWFJFHSA-N 1 2 368.437 3.306 20 30 FGEDLO Cc1nc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cs1 ZINC000435125975 500936471 /nfs/dbraw/zinc/93/64/71/500936471.db2.gz ZMKQLJTWIVSOAO-UHFFFAOYSA-N 1 2 352.467 3.256 20 30 FGEDLO Cc1nc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cs1 ZINC000435125975 500936475 /nfs/dbraw/zinc/93/64/75/500936475.db2.gz ZMKQLJTWIVSOAO-UHFFFAOYSA-N 1 2 352.467 3.256 20 30 FGEDLO N#Cc1cc2cccnc2nc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000596057421 506230605 /nfs/dbraw/zinc/23/06/05/506230605.db2.gz PZZOQQGUFOVRED-INIZCTEOSA-N 1 2 365.462 3.048 20 30 FGEDLO Cc1cc(N2CCN(c3nc4ncccc4cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000596060369 506232909 /nfs/dbraw/zinc/23/29/09/506232909.db2.gz FPARRESIALPKSB-UHFFFAOYSA-N 1 2 373.464 3.050 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611622528 506233012 /nfs/dbraw/zinc/23/30/12/506233012.db2.gz VKUVNRAUAKJBGN-QGZVFWFLSA-N 1 2 361.492 3.026 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000611622528 506233017 /nfs/dbraw/zinc/23/30/17/506233017.db2.gz VKUVNRAUAKJBGN-QGZVFWFLSA-N 1 2 361.492 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(C(C)C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450398579 501110999 /nfs/dbraw/zinc/11/09/99/501110999.db2.gz ZSKHBFQHDFAXQP-CQSZACIVSA-N 1 2 369.498 3.386 20 30 FGEDLO C=CC[N@H+](Cc1nnc(C(C)C)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450398579 501111001 /nfs/dbraw/zinc/11/10/01/501111001.db2.gz ZSKHBFQHDFAXQP-CQSZACIVSA-N 1 2 369.498 3.386 20 30 FGEDLO COc1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609943 501166680 /nfs/dbraw/zinc/16/66/80/501166680.db2.gz FQGIJJHQQAJHPS-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609943 501166682 /nfs/dbraw/zinc/16/66/82/501166682.db2.gz FQGIJJHQQAJHPS-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)NCc1ccc(F)cc1 ZINC000446827698 501169251 /nfs/dbraw/zinc/16/92/51/501169251.db2.gz VNBFQQSWBHVIJM-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)NCc1ccc(F)cc1 ZINC000446827698 501169256 /nfs/dbraw/zinc/16/92/56/501169256.db2.gz VNBFQQSWBHVIJM-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO N#Cc1cc(Br)cnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000450254181 501219772 /nfs/dbraw/zinc/21/97/72/501219772.db2.gz SKOCIIXCAGYHDA-UHFFFAOYSA-N 1 2 372.270 3.135 20 30 FGEDLO Cc1ccc(Br)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000450261373 501221407 /nfs/dbraw/zinc/22/14/07/501221407.db2.gz ICUQGNAALMMLDH-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436858844 501222468 /nfs/dbraw/zinc/22/24/68/501222468.db2.gz PTHPWYOEZSJVOT-UHFFFAOYSA-N 1 2 371.250 3.064 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000455481355 501314820 /nfs/dbraw/zinc/31/48/20/501314820.db2.gz WZQOMRKDIKPPGU-CGTJXYLNSA-N 1 2 351.454 3.445 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CC#N)c2C1 ZINC000457986628 501351179 /nfs/dbraw/zinc/35/11/79/501351179.db2.gz IMPYBHOMAUQCLA-UHFFFAOYSA-N 1 2 350.466 3.282 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CC#N)c2C1 ZINC000457986628 501351182 /nfs/dbraw/zinc/35/11/82/501351182.db2.gz IMPYBHOMAUQCLA-UHFFFAOYSA-N 1 2 350.466 3.282 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453960622 501433735 /nfs/dbraw/zinc/43/37/35/501433735.db2.gz CSOZCGSHKUIAQU-RHSMWYFYSA-N 1 2 366.465 3.496 20 30 FGEDLO N#CCCC[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000458804462 501535194 /nfs/dbraw/zinc/53/51/94/501535194.db2.gz SPCLSXJTFHXHQU-IBGZPJMESA-N 1 2 363.465 3.348 20 30 FGEDLO C=CCSCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454418890 501540122 /nfs/dbraw/zinc/54/01/22/501540122.db2.gz AUASJOXAPDOATO-UHFFFAOYSA-N 1 2 350.875 3.244 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1F ZINC000596108286 506263954 /nfs/dbraw/zinc/26/39/54/506263954.db2.gz IRSQANFNQAGFKL-QGZVFWFLSA-N 1 2 369.444 3.422 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000459442253 501654616 /nfs/dbraw/zinc/65/46/16/501654616.db2.gz ZISNOSYTMJTGIR-UHFFFAOYSA-N 1 2 362.433 3.494 20 30 FGEDLO CC1(C)Cc2ccsc2C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459580915 501680498 /nfs/dbraw/zinc/68/04/98/501680498.db2.gz LPNSFPPFJYRSOA-UHFFFAOYSA-N 1 2 360.504 3.230 20 30 FGEDLO CC1(C)Cc2ccsc2C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459580915 501680499 /nfs/dbraw/zinc/68/04/99/501680499.db2.gz LPNSFPPFJYRSOA-UHFFFAOYSA-N 1 2 360.504 3.230 20 30 FGEDLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463507079 501746343 /nfs/dbraw/zinc/74/63/43/501746343.db2.gz XEQCWJJKYYDPDA-RTWAWAEBSA-N 1 2 369.509 3.188 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-c4[nH]cc[nH+]4)c3)n2)c1 ZINC000467247476 501748326 /nfs/dbraw/zinc/74/83/26/501748326.db2.gz GUPYHFWKHCKEIL-UHFFFAOYSA-N 1 2 354.373 3.386 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000460816275 501927614 /nfs/dbraw/zinc/92/76/14/501927614.db2.gz LJJIKZCILFCKQS-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000464874292 502133428 /nfs/dbraw/zinc/13/34/28/502133428.db2.gz JLAFEVZTNLSMNC-UHFFFAOYSA-N 1 2 363.436 3.493 20 30 FGEDLO Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000461718009 502178419 /nfs/dbraw/zinc/17/84/19/502178419.db2.gz LDTMTWFHUVDXPR-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO CCOc1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)ccc1[N+](=O)[O-] ZINC000475500721 502192782 /nfs/dbraw/zinc/19/27/82/502192782.db2.gz ACSLCKHCSADYLO-UHFFFAOYSA-N 1 2 372.450 3.249 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461958653 502253161 /nfs/dbraw/zinc/25/31/61/502253161.db2.gz NRPKYGGZLMKXOL-ZWKOTPCHSA-N 1 2 355.486 3.022 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461960780 502253739 /nfs/dbraw/zinc/25/37/39/502253739.db2.gz SQEZRCZRDVZLPK-VKJFTORMSA-N 1 2 360.889 3.420 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469463243 502427659 /nfs/dbraw/zinc/42/76/59/502427659.db2.gz SLWHVFALVHKVBR-FQEVSTJZSA-N 1 2 361.436 3.498 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCOCC1 ZINC000462467296 502450004 /nfs/dbraw/zinc/45/00/04/502450004.db2.gz ZNLOGFJWPXLKAX-KXBFYZLASA-N 1 2 366.465 3.162 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488223115 502663092 /nfs/dbraw/zinc/66/30/92/502663092.db2.gz ZKOFJEBVGHGOAK-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488223115 502663097 /nfs/dbraw/zinc/66/30/97/502663097.db2.gz ZKOFJEBVGHGOAK-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO Cc1ccc(C(=O)CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000480795118 502673382 /nfs/dbraw/zinc/67/33/82/502673382.db2.gz MBWGFXAHEXQQAR-UHFFFAOYSA-N 1 2 351.425 3.401 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857651 506329494 /nfs/dbraw/zinc/32/94/94/506329494.db2.gz XAMRGUKDMFUZKY-YOEHRIQHSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3cccnc3)C2)c(C#N)c1C ZINC000602857651 506329501 /nfs/dbraw/zinc/32/95/01/506329501.db2.gz XAMRGUKDMFUZKY-YOEHRIQHSA-N 1 2 352.438 3.370 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484790462 502741177 /nfs/dbraw/zinc/74/11/77/502741177.db2.gz ADATYMDLPNUGDX-HNNXBMFYSA-N 1 2 355.404 3.449 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484790462 502741183 /nfs/dbraw/zinc/74/11/83/502741183.db2.gz ADATYMDLPNUGDX-HNNXBMFYSA-N 1 2 355.404 3.449 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000463442464 502806603 /nfs/dbraw/zinc/80/66/03/502806603.db2.gz HIEGAKHJTGMILC-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000509158395 502836036 /nfs/dbraw/zinc/83/60/36/502836036.db2.gz ZGNKQKGETRRWHV-UHFFFAOYSA-N 1 2 371.506 3.264 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000509158395 502836040 /nfs/dbraw/zinc/83/60/40/502836040.db2.gz ZGNKQKGETRRWHV-UHFFFAOYSA-N 1 2 371.506 3.264 20 30 FGEDLO CN(C)c1[nH]c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2[nH+]1 ZINC000509250383 502859575 /nfs/dbraw/zinc/85/95/75/502859575.db2.gz HMUUHCUWUYOIFM-UHFFFAOYSA-N 1 2 363.396 3.310 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)s1 ZINC000513387371 502922842 /nfs/dbraw/zinc/92/28/42/502922842.db2.gz ZSSNAOZCPFCXKZ-UHFFFAOYSA-N 1 2 371.481 3.208 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000497379330 502943253 /nfs/dbraw/zinc/94/32/53/502943253.db2.gz YAGNRNFSBWOFAS-SFTDATJTSA-N 1 2 363.461 3.011 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000497379330 502943256 /nfs/dbraw/zinc/94/32/56/502943256.db2.gz YAGNRNFSBWOFAS-SFTDATJTSA-N 1 2 363.461 3.011 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(F)cc3C#N)[C@@H](C)C2)cc1 ZINC000489544705 502982261 /nfs/dbraw/zinc/98/22/61/502982261.db2.gz DGYULOYJUQEUML-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(F)cc3C#N)[C@@H](C)C2)cc1 ZINC000489544705 502982264 /nfs/dbraw/zinc/98/22/64/502982264.db2.gz DGYULOYJUQEUML-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO CC(C)n1ncc2cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cnc21 ZINC000506112373 503050573 /nfs/dbraw/zinc/05/05/73/503050573.db2.gz KRBBJSNVRLDEEF-UHFFFAOYSA-N 1 2 374.492 3.202 20 30 FGEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4ccc(C#N)cc4)C3)nn2)cc1 ZINC000501741701 503070331 /nfs/dbraw/zinc/07/03/31/503070331.db2.gz FAEZWHLXZCACTE-UHFFFAOYSA-N 1 2 359.433 3.272 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000489945491 503072316 /nfs/dbraw/zinc/07/23/16/503072316.db2.gz ATOMDYWNBGPQNR-OAQYLSRUSA-N 1 2 358.445 3.417 20 30 FGEDLO Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)[nH+]1 ZINC000498316834 503156177 /nfs/dbraw/zinc/15/61/77/503156177.db2.gz TULRQAULQXFEEW-UHFFFAOYSA-N 1 2 371.462 3.337 20 30 FGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342043 503183910 /nfs/dbraw/zinc/18/39/10/503183910.db2.gz WMVOTJQEWGXSAE-PXNSSMCTSA-N 1 2 373.472 3.329 20 30 FGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342043 503183912 /nfs/dbraw/zinc/18/39/12/503183912.db2.gz WMVOTJQEWGXSAE-PXNSSMCTSA-N 1 2 373.472 3.329 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(F)(C#N)CC2)ccc1Cl ZINC000510932111 503220006 /nfs/dbraw/zinc/22/00/06/503220006.db2.gz MMTDCRYTQUMGCH-UHFFFAOYSA-N 1 2 362.836 3.223 20 30 FGEDLO N#CC[C@H]1CCCN(c2nc(N3CCC[C@H](CC#N)C3)c(Cl)c[nH+]2)C1 ZINC000596331510 506360883 /nfs/dbraw/zinc/36/08/83/506360883.db2.gz YREDQBRJLZPVPL-HUUCEWRRSA-N 1 2 358.877 3.390 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccncc1 ZINC000502754627 503264729 /nfs/dbraw/zinc/26/47/29/503264729.db2.gz CNKDXYYYRWXUSF-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccncc1 ZINC000502754627 503264735 /nfs/dbraw/zinc/26/47/35/503264735.db2.gz CNKDXYYYRWXUSF-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO CCc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000507277511 503267604 /nfs/dbraw/zinc/26/76/04/503267604.db2.gz JYXQGAXDROTNOM-UHFFFAOYSA-N 1 2 373.460 3.493 20 30 FGEDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319736 503276563 /nfs/dbraw/zinc/27/65/63/503276563.db2.gz PNXNQFAORXZKTC-ZWKOTPCHSA-N 1 2 374.488 3.047 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905413 503304849 /nfs/dbraw/zinc/30/48/49/503304849.db2.gz VQBQKQJTEZNBLR-CTNGQTDRSA-N 1 2 372.415 3.316 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905413 503304855 /nfs/dbraw/zinc/30/48/55/503304855.db2.gz VQBQKQJTEZNBLR-CTNGQTDRSA-N 1 2 372.415 3.316 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928808 503309275 /nfs/dbraw/zinc/30/92/75/503309275.db2.gz MONITTCEVBMXBF-OALUTQOASA-N 1 2 350.466 3.391 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928808 503309280 /nfs/dbraw/zinc/30/92/80/503309280.db2.gz MONITTCEVBMXBF-OALUTQOASA-N 1 2 350.466 3.391 20 30 FGEDLO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000499093747 503332322 /nfs/dbraw/zinc/33/23/22/503332322.db2.gz LUYFMIGVKPXLSP-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO Cc1cc(Nc2nccc(C#N)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000503287769 503384166 /nfs/dbraw/zinc/38/41/66/503384166.db2.gz VXXIOCREWBDZNL-CYBMUJFWSA-N 1 2 352.398 3.109 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977683 506371866 /nfs/dbraw/zinc/37/18/66/506371866.db2.gz FRJFPKUKVYSBLR-RISCZKNCSA-N 1 2 370.316 3.093 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977683 506371873 /nfs/dbraw/zinc/37/18/73/506371873.db2.gz FRJFPKUKVYSBLR-RISCZKNCSA-N 1 2 370.316 3.093 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000503695817 503461522 /nfs/dbraw/zinc/46/15/22/503461522.db2.gz KUJVJXIRWSXXCY-SJORKVTESA-N 1 2 365.399 3.181 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000512150563 503470353 /nfs/dbraw/zinc/47/03/53/503470353.db2.gz WCVDLTIQEDUMTJ-KRWDZBQOSA-N 1 2 356.466 3.197 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000512150563 503470355 /nfs/dbraw/zinc/47/03/55/503470355.db2.gz WCVDLTIQEDUMTJ-KRWDZBQOSA-N 1 2 356.466 3.197 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC ZINC000512196620 503483257 /nfs/dbraw/zinc/48/32/57/503483257.db2.gz OSQFCYDFVLWTCG-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO N#C[C@H]1N(Cc2c[nH+]cn2Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000516389837 503506035 /nfs/dbraw/zinc/50/60/35/503506035.db2.gz DOXRIPMSNBCZNW-RTWAWAEBSA-N 1 2 350.466 3.359 20 30 FGEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000504078037 503518578 /nfs/dbraw/zinc/51/85/78/503518578.db2.gz QKCASADYAMCUOF-LJQANCHMSA-N 1 2 372.400 3.212 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3ccc(OC)cc3)n2)C1=O ZINC000500025986 503535292 /nfs/dbraw/zinc/53/52/92/503535292.db2.gz PYXFXKIRAXZNHK-KRWDZBQOSA-N 1 2 357.479 3.037 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3ccc(OC)cc3)n2)C1=O ZINC000500025986 503535296 /nfs/dbraw/zinc/53/52/96/503535296.db2.gz PYXFXKIRAXZNHK-KRWDZBQOSA-N 1 2 357.479 3.037 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000516574331 503540552 /nfs/dbraw/zinc/54/05/52/503540552.db2.gz NOOIIQKCOUUWOD-FQEVSTJZSA-N 1 2 359.473 3.371 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000516574331 503540555 /nfs/dbraw/zinc/54/05/55/503540555.db2.gz NOOIIQKCOUUWOD-FQEVSTJZSA-N 1 2 359.473 3.371 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccc(CO)o1 ZINC000512434509 503550451 /nfs/dbraw/zinc/55/04/51/503550451.db2.gz YKMKQSXGUIIUOP-UHFFFAOYSA-N 1 2 374.485 3.049 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccc(CO)o1 ZINC000512434509 503550456 /nfs/dbraw/zinc/55/04/56/503550456.db2.gz YKMKQSXGUIIUOP-UHFFFAOYSA-N 1 2 374.485 3.049 20 30 FGEDLO CC(C)c1ccc(/C=C\CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000494495038 503550918 /nfs/dbraw/zinc/55/09/18/503550918.db2.gz QXTUWFDGPDTDOG-HYXAFXHYSA-N 1 2 369.509 3.288 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000512536008 503579238 /nfs/dbraw/zinc/57/92/38/503579238.db2.gz FLFZMXIGESIYLN-MRXNPFEDSA-N 1 2 372.435 3.395 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000512536008 503579242 /nfs/dbraw/zinc/57/92/42/503579242.db2.gz FLFZMXIGESIYLN-MRXNPFEDSA-N 1 2 372.435 3.395 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1C#N ZINC000504581526 503591911 /nfs/dbraw/zinc/59/19/11/503591911.db2.gz BWTUUZXSQZKXQT-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1C#N ZINC000504581526 503591916 /nfs/dbraw/zinc/59/19/16/503591916.db2.gz BWTUUZXSQZKXQT-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO C=CCn1c(CCCC)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508955289 503606868 /nfs/dbraw/zinc/60/68/68/503606868.db2.gz FHIMKYGFQDDZCA-HNNXBMFYSA-N 1 2 360.531 3.146 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(C#N)c3C)CC2)c1 ZINC000512684358 503611696 /nfs/dbraw/zinc/61/16/96/503611696.db2.gz CBAFYEFNCDJPPT-KRWDZBQOSA-N 1 2 363.461 3.394 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)cc1 ZINC000512690566 503613672 /nfs/dbraw/zinc/61/36/72/503613672.db2.gz IUNBVQQWTWQRGJ-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)[nH]1 ZINC000512821646 503639525 /nfs/dbraw/zinc/63/95/25/503639525.db2.gz CTSGAQBREKYCLC-UHFFFAOYSA-N 1 2 355.413 3.368 20 30 FGEDLO COc1cc(NC2CC[NH+](Cc3nc(C#N)cs3)CC2)cc(OC)c1 ZINC000517036171 503649034 /nfs/dbraw/zinc/64/90/34/503649034.db2.gz XMBYXZXZYHBEAV-UHFFFAOYSA-N 1 2 358.467 3.108 20 30 FGEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000527115395 503686488 /nfs/dbraw/zinc/68/64/88/503686488.db2.gz MMKQPIWATXKWKI-UHFFFAOYSA-N 1 2 364.405 3.024 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000543488132 503792532 /nfs/dbraw/zinc/79/25/32/503792532.db2.gz AHLCRTQZSQHEFP-GOSISDBHSA-N 1 2 355.438 3.066 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000543543486 503807342 /nfs/dbraw/zinc/80/73/42/503807342.db2.gz UJOQGMWGZIEIFE-GJZGRUSLSA-N 1 2 372.444 3.424 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 ZINC000543548034 503808841 /nfs/dbraw/zinc/80/88/41/503808841.db2.gz SUFPFMOYMQOJCE-NWDGAFQWSA-N 1 2 359.455 3.062 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000540693515 503857428 /nfs/dbraw/zinc/85/74/28/503857428.db2.gz IEQRDYLQWXNRTP-LJQANCHMSA-N 1 2 356.429 3.495 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518076878 503903483 /nfs/dbraw/zinc/90/34/83/503903483.db2.gz MMRUWKSDUXXOBY-RDJZCZTQSA-N 1 2 350.528 3.398 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000518076878 503903489 /nfs/dbraw/zinc/90/34/89/503903489.db2.gz MMRUWKSDUXXOBY-RDJZCZTQSA-N 1 2 350.528 3.398 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] ZINC000546965825 503941014 /nfs/dbraw/zinc/94/10/14/503941014.db2.gz VOJBHPAMVWCTRK-UHFFFAOYSA-N 1 2 365.437 3.307 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544024167 503977141 /nfs/dbraw/zinc/97/71/41/503977141.db2.gz PRNHPVGWPHABNE-KRWDZBQOSA-N 1 2 366.465 3.241 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000537679888 504003537 /nfs/dbraw/zinc/00/35/37/504003537.db2.gz VCRMWAVJGXFRRP-MSOLQXFVSA-N 1 2 359.489 3.093 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000537679888 504003539 /nfs/dbraw/zinc/00/35/39/504003539.db2.gz VCRMWAVJGXFRRP-MSOLQXFVSA-N 1 2 359.489 3.093 20 30 FGEDLO Cn1c(C[N@H+](C)CCOCc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000518607425 504026096 /nfs/dbraw/zinc/02/60/96/504026096.db2.gz BIMOAOHIQQVFSY-UHFFFAOYSA-N 1 2 361.449 3.002 20 30 FGEDLO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000518607425 504026098 /nfs/dbraw/zinc/02/60/98/504026098.db2.gz BIMOAOHIQQVFSY-UHFFFAOYSA-N 1 2 361.449 3.002 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2ccncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000547825014 504237424 /nfs/dbraw/zinc/23/74/24/504237424.db2.gz YLXUEQSKFLHTEB-LJQANCHMSA-N 1 2 370.884 3.293 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2ccncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000547825014 504237429 /nfs/dbraw/zinc/23/74/29/504237429.db2.gz YLXUEQSKFLHTEB-LJQANCHMSA-N 1 2 370.884 3.293 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccc(O)c1 ZINC000531378422 504285788 /nfs/dbraw/zinc/28/57/88/504285788.db2.gz LRPGGACRMBLJCA-UHFFFAOYSA-N 1 2 357.841 3.424 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccc(O)c1 ZINC000531378422 504285789 /nfs/dbraw/zinc/28/57/89/504285789.db2.gz LRPGGACRMBLJCA-UHFFFAOYSA-N 1 2 357.841 3.424 20 30 FGEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097705 504329041 /nfs/dbraw/zinc/32/90/41/504329041.db2.gz VXECDEAKIXWFFF-IBGZPJMESA-N 1 2 361.511 3.328 20 30 FGEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548097705 504329045 /nfs/dbraw/zinc/32/90/45/504329045.db2.gz VXECDEAKIXWFFF-IBGZPJMESA-N 1 2 361.511 3.328 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788619 504371904 /nfs/dbraw/zinc/37/19/04/504371904.db2.gz QUWJLGMBPXPLSO-CABCVRRESA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788619 504371909 /nfs/dbraw/zinc/37/19/09/504371909.db2.gz QUWJLGMBPXPLSO-CABCVRRESA-N 1 2 351.425 3.321 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000548426548 504441416 /nfs/dbraw/zinc/44/14/16/504441416.db2.gz MCWWGXHAUFPINM-GJZGRUSLSA-N 1 2 350.466 3.446 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Nc4ccccn4)CC3)o2)c1 ZINC000535574661 504475293 /nfs/dbraw/zinc/47/52/93/504475293.db2.gz BHWZVGMLORHLBV-UHFFFAOYSA-N 1 2 360.421 3.080 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000542850758 504633664 /nfs/dbraw/zinc/63/36/64/504633664.db2.gz NLEIRXHWXSJKOI-QZTJIDSGSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000542850758 504633668 /nfs/dbraw/zinc/63/36/68/504633668.db2.gz NLEIRXHWXSJKOI-QZTJIDSGSA-N 1 2 362.424 3.045 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767837 504679908 /nfs/dbraw/zinc/67/99/08/504679908.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767837 504679913 /nfs/dbraw/zinc/67/99/13/504679913.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767837 504679919 /nfs/dbraw/zinc/67/99/19/504679919.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767837 504679925 /nfs/dbraw/zinc/67/99/25/504679925.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767837 504679932 /nfs/dbraw/zinc/67/99/32/504679932.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767837 504679935 /nfs/dbraw/zinc/67/99/35/504679935.db2.gz MZXPBNSKLBIFJK-HNNXBMFYSA-N 1 2 364.371 3.243 20 30 FGEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549302450 504786332 /nfs/dbraw/zinc/78/63/32/504786332.db2.gz PSRDHZXTNHMROQ-UHFFFAOYSA-N 1 2 352.486 3.233 20 30 FGEDLO C=CCC(C)(C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000559443033 504865114 /nfs/dbraw/zinc/86/51/14/504865114.db2.gz KGEXMOOMKORPEW-UHFFFAOYSA-N 1 2 360.889 3.234 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2ccnc(C#N)c2)c2ccc(Cl)cc2)CCO1 ZINC000553363112 504894482 /nfs/dbraw/zinc/89/44/82/504894482.db2.gz BOMZXDQMNNPMGJ-IBGZPJMESA-N 1 2 370.884 3.293 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2ccnc(C#N)c2)c2ccc(Cl)cc2)CCO1 ZINC000553363112 504894483 /nfs/dbraw/zinc/89/44/83/504894483.db2.gz BOMZXDQMNNPMGJ-IBGZPJMESA-N 1 2 370.884 3.293 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1Cc1ccccc1 ZINC000549832714 504910808 /nfs/dbraw/zinc/91/08/08/504910808.db2.gz NOIFBQYPZWARDY-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1Cc1ccccc1 ZINC000549832714 504910811 /nfs/dbraw/zinc/91/08/11/504910811.db2.gz NOIFBQYPZWARDY-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000562703495 504914721 /nfs/dbraw/zinc/91/47/21/504914721.db2.gz BJBIHIJGYSJNNR-MNOVXSKESA-N 1 2 373.482 3.115 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000562703496 504914905 /nfs/dbraw/zinc/91/49/05/504914905.db2.gz BJBIHIJGYSJNNR-QWRGUYRKSA-N 1 2 373.482 3.115 20 30 FGEDLO CCOC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H](C)c1ccccc1 ZINC000556599521 504915683 /nfs/dbraw/zinc/91/56/83/504915683.db2.gz VFVUCNZETHYYDX-MRXNPFEDSA-N 1 2 362.433 3.332 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000553635727 504969490 /nfs/dbraw/zinc/96/94/90/504969490.db2.gz SGOANHNRSQDNIQ-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000553639180 504970018 /nfs/dbraw/zinc/97/00/18/504970018.db2.gz WOYJREZMQPGLBX-UHFFFAOYSA-N 1 2 372.542 3.390 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000553639180 504970021 /nfs/dbraw/zinc/97/00/21/504970021.db2.gz WOYJREZMQPGLBX-UHFFFAOYSA-N 1 2 372.542 3.390 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550306343 505017269 /nfs/dbraw/zinc/01/72/69/505017269.db2.gz XDERGMOJRAQLRX-JSGCOSHPSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550306343 505017270 /nfs/dbraw/zinc/01/72/70/505017270.db2.gz XDERGMOJRAQLRX-JSGCOSHPSA-N 1 2 354.429 3.384 20 30 FGEDLO C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000556927457 505020024 /nfs/dbraw/zinc/02/00/24/505020024.db2.gz MPCYUTLJWDPGBM-KSSFIOAISA-N 1 2 352.413 3.035 20 30 FGEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000557102550 505065645 /nfs/dbraw/zinc/06/56/45/505065645.db2.gz IVVBEVKPPFUCOL-WMZHIEFXSA-N 1 2 374.484 3.022 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000563220060 505079427 /nfs/dbraw/zinc/07/94/27/505079427.db2.gz FUUXWWMZQAPDQS-MKVYSWTASA-N 1 2 357.420 3.095 20 30 FGEDLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566308929 505140501 /nfs/dbraw/zinc/14/05/01/505140501.db2.gz LHRGFIHUEQGPKI-KKSFZXQISA-N 1 2 351.450 3.081 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563641038 505199885 /nfs/dbraw/zinc/19/98/85/505199885.db2.gz XMCJTDUXGBMKGN-CVEARBPZSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563641038 505199888 /nfs/dbraw/zinc/19/98/88/505199888.db2.gz XMCJTDUXGBMKGN-CVEARBPZSA-N 1 2 364.852 3.217 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000557682889 505202510 /nfs/dbraw/zinc/20/25/10/505202510.db2.gz UFECIJWQDYDXLA-UHFFFAOYSA-N 1 2 355.873 3.249 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccc(F)cc1 ZINC000551413284 505220781 /nfs/dbraw/zinc/22/07/81/505220781.db2.gz UIDYTQZRATWISN-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccc(F)cc1 ZINC000551413284 505220786 /nfs/dbraw/zinc/22/07/86/505220786.db2.gz UIDYTQZRATWISN-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CCC2 ZINC000563764153 505232036 /nfs/dbraw/zinc/23/20/36/505232036.db2.gz ASGJZLYCIQVRSX-QRVBRYPASA-N 1 2 363.465 3.018 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(F)(c4cccnc4)CC3)o2)c1 ZINC000551736063 505295118 /nfs/dbraw/zinc/29/51/18/505295118.db2.gz UIYTUPXZANARJO-UHFFFAOYSA-N 1 2 363.396 3.464 20 30 FGEDLO Cc1oc(NC(=O)CN2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)c1C ZINC000564047185 505310028 /nfs/dbraw/zinc/31/00/28/505310028.db2.gz HWEMGLJGOVIZEX-UHFFFAOYSA-N 1 2 369.469 3.096 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000566940257 505316711 /nfs/dbraw/zinc/31/67/11/505316711.db2.gz XMIDETRDTQDDGO-UHFFFAOYSA-N 1 2 374.444 3.341 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000558249910 505343951 /nfs/dbraw/zinc/34/39/51/505343951.db2.gz WRXHUQHJHPFCEG-UHFFFAOYSA-N 1 2 373.412 3.471 20 30 FGEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000564526560 505442045 /nfs/dbraw/zinc/44/20/45/505442045.db2.gz AVOZSFINIDXUMI-UHFFFAOYSA-N 1 2 359.451 3.075 20 30 FGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)c2C1 ZINC000564972290 505564840 /nfs/dbraw/zinc/56/48/40/505564840.db2.gz HGTNKDOGHFOVEH-UHFFFAOYSA-N 1 2 369.490 3.419 20 30 FGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)c2C1 ZINC000564972290 505564841 /nfs/dbraw/zinc/56/48/41/505564841.db2.gz HGTNKDOGHFOVEH-UHFFFAOYSA-N 1 2 369.490 3.419 20 30 FGEDLO CN(C)c1cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)[nH+]cc1Br ZINC000603029702 506388285 /nfs/dbraw/zinc/38/82/85/506388285.db2.gz NMJXEOPFOPKXFW-ZYHUDNBSSA-N 1 2 366.263 3.066 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccncc2Br)CC1 ZINC000599282553 506397260 /nfs/dbraw/zinc/39/72/60/506397260.db2.gz SBZPLEDLKBYEDN-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000593125553 506408803 /nfs/dbraw/zinc/40/88/03/506408803.db2.gz OHOPEESMQHKUMR-MRXNPFEDSA-N 1 2 373.250 3.076 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000593125553 506408809 /nfs/dbraw/zinc/40/88/09/506408809.db2.gz OHOPEESMQHKUMR-MRXNPFEDSA-N 1 2 373.250 3.076 20 30 FGEDLO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153150 506427618 /nfs/dbraw/zinc/42/76/18/506427618.db2.gz LBXDMLNYJHEGLN-ORAYPTAESA-N 1 2 359.857 3.221 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@](C)(C#N)C2)c(C)c1 ZINC000596504671 506437287 /nfs/dbraw/zinc/43/72/87/506437287.db2.gz JYFDDVOCNBCUQM-AZUAARDMSA-N 1 2 351.454 3.186 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000599455435 506464444 /nfs/dbraw/zinc/46/44/44/506464444.db2.gz OKVOZTVJAHWCPS-INIZCTEOSA-N 1 2 369.318 3.350 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000599455435 506464449 /nfs/dbraw/zinc/46/44/49/506464449.db2.gz OKVOZTVJAHWCPS-INIZCTEOSA-N 1 2 369.318 3.350 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000612300650 506516418 /nfs/dbraw/zinc/51/64/18/506516418.db2.gz WUUZBGPIWATURK-FVJLSDCUSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000612300650 506516426 /nfs/dbraw/zinc/51/64/26/506516426.db2.gz WUUZBGPIWATURK-FVJLSDCUSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC000596695790 506543188 /nfs/dbraw/zinc/54/31/88/506543188.db2.gz BROMSGGFGLOLHH-JXXFODFXSA-N 1 2 356.470 3.063 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645037 506548495 /nfs/dbraw/zinc/54/84/95/506548495.db2.gz BSDLFSUOHWJWHM-LBPRGKRZSA-N 1 2 355.825 3.303 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645037 506548498 /nfs/dbraw/zinc/54/84/98/506548498.db2.gz BSDLFSUOHWJWHM-LBPRGKRZSA-N 1 2 355.825 3.303 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646532 506550275 /nfs/dbraw/zinc/55/02/75/506550275.db2.gz LGMSPKKJANINHA-TZQQIIETSA-N 1 2 355.482 3.070 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646532 506550277 /nfs/dbraw/zinc/55/02/77/506550277.db2.gz LGMSPKKJANINHA-TZQQIIETSA-N 1 2 355.482 3.070 20 30 FGEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000599679980 506576516 /nfs/dbraw/zinc/57/65/16/506576516.db2.gz OPNSGPWPPRVCCX-KRWDZBQOSA-N 1 2 372.371 3.432 20 30 FGEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC000599679980 506576521 /nfs/dbraw/zinc/57/65/21/506576521.db2.gz OPNSGPWPPRVCCX-KRWDZBQOSA-N 1 2 372.371 3.432 20 30 FGEDLO COc1ccc([C@@H](Nc2ncc3c(c2C#N)CCC3)c2[nH+]ccn2C)cc1 ZINC000583259285 506681384 /nfs/dbraw/zinc/68/13/84/506681384.db2.gz GTSBXQYUBUXCPR-LJQANCHMSA-N 1 2 359.433 3.386 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000583299658 506703463 /nfs/dbraw/zinc/70/34/63/506703463.db2.gz SNHWTGZEESWBSO-LBPRGKRZSA-N 1 2 350.875 3.311 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608783644 506708400 /nfs/dbraw/zinc/70/84/00/506708400.db2.gz SDUSXRUINVEJHW-UHFFFAOYSA-N 1 2 364.405 3.308 20 30 FGEDLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000596987275 506715013 /nfs/dbraw/zinc/71/50/13/506715013.db2.gz BJKPYNQWNHPBGD-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c(C)o1 ZINC000596990998 506717940 /nfs/dbraw/zinc/71/79/40/506717940.db2.gz FHBJIYOMFDFAMT-UHFFFAOYSA-N 1 2 363.461 3.410 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000590095763 506731954 /nfs/dbraw/zinc/73/19/54/506731954.db2.gz GOVDTYVZGQVVNW-HXUWFJFHSA-N 1 2 373.460 3.072 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000583434226 506777286 /nfs/dbraw/zinc/77/72/86/506777286.db2.gz VNOWEHUFTKFHFP-JKSUJKDBSA-N 1 2 373.522 3.256 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000583434226 506777294 /nfs/dbraw/zinc/77/72/94/506777294.db2.gz VNOWEHUFTKFHFP-JKSUJKDBSA-N 1 2 373.522 3.256 20 30 FGEDLO N#CCn1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc2ccccc21 ZINC000612991423 506854281 /nfs/dbraw/zinc/85/42/81/506854281.db2.gz MNCPQTQEQYSKLI-MAUKXSAKSA-N 1 2 363.421 3.141 20 30 FGEDLO N#CCn1c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc2ccccc21 ZINC000612991423 506854288 /nfs/dbraw/zinc/85/42/88/506854288.db2.gz MNCPQTQEQYSKLI-MAUKXSAKSA-N 1 2 363.421 3.141 20 30 FGEDLO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609546963 506917953 /nfs/dbraw/zinc/91/79/53/506917953.db2.gz XSCGUHNTYQLKNS-VGSWGCGISA-N 1 2 374.488 3.319 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1Br ZINC000609590670 506935175 /nfs/dbraw/zinc/93/51/75/506935175.db2.gz DQWRNYAICPFEOY-HNNXBMFYSA-N 1 2 369.222 3.020 20 30 FGEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000590754929 506939364 /nfs/dbraw/zinc/93/93/64/506939364.db2.gz SZPHNRJIZCNEJI-CYBMUJFWSA-N 1 2 354.479 3.271 20 30 FGEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000590754929 506939366 /nfs/dbraw/zinc/93/93/66/506939366.db2.gz SZPHNRJIZCNEJI-CYBMUJFWSA-N 1 2 354.479 3.271 20 30 FGEDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000609609296 506943675 /nfs/dbraw/zinc/94/36/75/506943675.db2.gz BKHRXKUSRDNIGL-UHFFFAOYSA-N 1 2 361.854 3.000 20 30 FGEDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000609609296 506943677 /nfs/dbraw/zinc/94/36/77/506943677.db2.gz BKHRXKUSRDNIGL-UHFFFAOYSA-N 1 2 361.854 3.000 20 30 FGEDLO N#CC1(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOCC1 ZINC000597444913 506955742 /nfs/dbraw/zinc/95/57/42/506955742.db2.gz MPUKWENLJBQWKB-UHFFFAOYSA-N 1 2 362.433 3.251 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(C#N)cc1 ZINC000609634688 506956048 /nfs/dbraw/zinc/95/60/48/506956048.db2.gz QIZHVQPKPBPJNX-IRXDYDNUSA-N 1 2 363.465 3.103 20 30 FGEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000597623711 507036302 /nfs/dbraw/zinc/03/63/02/507036302.db2.gz KDPIHAHSOLDUPS-ZDUSSCGKSA-N 1 2 370.403 3.389 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971901 507067563 /nfs/dbraw/zinc/06/75/63/507067563.db2.gz VJXBQSZEXJFHNY-UXLLHSPISA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971901 507067569 /nfs/dbraw/zinc/06/75/69/507067569.db2.gz VJXBQSZEXJFHNY-UXLLHSPISA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304143 507183825 /nfs/dbraw/zinc/18/38/25/507183825.db2.gz MPUIYWPDDLPUQM-JXFKEZNVSA-N 1 2 374.444 3.159 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304147 507184159 /nfs/dbraw/zinc/18/41/59/507184159.db2.gz MPUIYWPDDLPUQM-OXQOHEQNSA-N 1 2 374.444 3.159 20 30 FGEDLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000610403623 507228135 /nfs/dbraw/zinc/22/81/35/507228135.db2.gz XADPUCADWZCRQE-UGSOOPFHSA-N 1 2 372.419 3.500 20 30 FGEDLO N#C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C1CC1 ZINC000601068472 507250283 /nfs/dbraw/zinc/25/02/83/507250283.db2.gz CXIPBVKQDIYYCG-KRWDZBQOSA-N 1 2 353.495 3.316 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000594714382 507250693 /nfs/dbraw/zinc/25/06/93/507250693.db2.gz YVYJUEJTSNCQMZ-KGLIPLIRSA-N 1 2 358.467 3.138 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000610604632 507316883 /nfs/dbraw/zinc/31/68/83/507316883.db2.gz GJOPNLSYIGRSRU-GHMZBOCLSA-N 1 2 371.325 3.002 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1Cl ZINC000595357119 507468851 /nfs/dbraw/zinc/46/88/51/507468851.db2.gz LKSVAVWNNIWDNT-UHFFFAOYSA-N 1 2 372.856 3.408 20 30 FGEDLO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000595396790 507481637 /nfs/dbraw/zinc/48/16/37/507481637.db2.gz ZGBKSHULJHTTRV-QGZVFWFLSA-N 1 2 360.866 3.215 20 30 FGEDLO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000595396790 507481640 /nfs/dbraw/zinc/48/16/40/507481640.db2.gz ZGBKSHULJHTTRV-QGZVFWFLSA-N 1 2 360.866 3.215 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000614402903 507497718 /nfs/dbraw/zinc/49/77/18/507497718.db2.gz PBBJGLZUXNEYKL-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000598603793 507513877 /nfs/dbraw/zinc/51/38/77/507513877.db2.gz KFLIVVHFWGSWCR-CJNGLKHVSA-N 1 2 356.388 3.379 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000598603793 507513886 /nfs/dbraw/zinc/51/38/86/507513886.db2.gz KFLIVVHFWGSWCR-CJNGLKHVSA-N 1 2 356.388 3.379 20 30 FGEDLO CCOc1cncc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000598679495 507549550 /nfs/dbraw/zinc/54/95/50/507549550.db2.gz VMAUXCDVXMDMBE-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO CCOc1cncc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000598679495 507549553 /nfs/dbraw/zinc/54/95/53/507549553.db2.gz VMAUXCDVXMDMBE-UHFFFAOYSA-N 1 2 350.466 3.060 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000595574353 507568727 /nfs/dbraw/zinc/56/87/27/507568727.db2.gz KBVJZRRKFIMMSU-IAGOWNOFSA-N 1 2 369.481 3.319 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000595574353 507568734 /nfs/dbraw/zinc/56/87/34/507568734.db2.gz KBVJZRRKFIMMSU-IAGOWNOFSA-N 1 2 369.481 3.319 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000598730360 507570851 /nfs/dbraw/zinc/57/08/51/507570851.db2.gz UJZPQZWIZNEUCN-CYBMUJFWSA-N 1 2 361.230 3.431 20 30 FGEDLO CC(C)C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000602064287 507576089 /nfs/dbraw/zinc/57/60/89/507576089.db2.gz INADHWAYKHJDGJ-HXUWFJFHSA-N 1 2 365.481 3.081 20 30 FGEDLO CC(C)C[C@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)n1cc[nH+]c1 ZINC000602123845 507599944 /nfs/dbraw/zinc/59/99/44/507599944.db2.gz UHNWZFIKXKCTFS-GOSISDBHSA-N 1 2 362.437 3.048 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000614681062 507617260 /nfs/dbraw/zinc/61/72/60/507617260.db2.gz ODKNYJQTNQBJLQ-OAHLLOKOSA-N 1 2 374.404 3.079 20 30 FGEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000595679988 507624547 /nfs/dbraw/zinc/62/45/47/507624547.db2.gz MENJLNAUAKXTKX-HXUWFJFHSA-N 1 2 368.433 3.182 20 30 FGEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000595679988 507624555 /nfs/dbraw/zinc/62/45/55/507624555.db2.gz MENJLNAUAKXTKX-HXUWFJFHSA-N 1 2 368.433 3.182 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000595723287 507648685 /nfs/dbraw/zinc/64/86/85/507648685.db2.gz VBXOWUGBJDHBQV-INIZCTEOSA-N 1 2 362.474 3.257 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)ccn1 ZINC000586772780 507667145 /nfs/dbraw/zinc/66/71/45/507667145.db2.gz YXZIHSFMNJDURG-FQEVSTJZSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)ccn1 ZINC000586772780 507667152 /nfs/dbraw/zinc/66/71/52/507667152.db2.gz YXZIHSFMNJDURG-FQEVSTJZSA-N 1 2 362.477 3.057 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000592524592 507694940 /nfs/dbraw/zinc/69/49/40/507694940.db2.gz YRAPBLGRYUHROH-IBGZPJMESA-N 1 2 371.368 3.377 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000592524592 507694944 /nfs/dbraw/zinc/69/49/44/507694944.db2.gz YRAPBLGRYUHROH-IBGZPJMESA-N 1 2 371.368 3.377 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587061820 507704785 /nfs/dbraw/zinc/70/47/85/507704785.db2.gz IAPOEPBSKZBSOP-INIZCTEOSA-N 1 2 358.401 3.292 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000595839389 507708207 /nfs/dbraw/zinc/70/82/07/507708207.db2.gz FMNVUZNHIWCEIU-GMAHTHKFSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000595839389 507708216 /nfs/dbraw/zinc/70/82/16/507708216.db2.gz FMNVUZNHIWCEIU-GMAHTHKFSA-N 1 2 359.473 3.396 20 30 FGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595838884 507708834 /nfs/dbraw/zinc/70/88/34/507708834.db2.gz ASWYGQPAMIXYNV-CTNGQTDRSA-N 1 2 355.482 3.374 20 30 FGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595838884 507708836 /nfs/dbraw/zinc/70/88/36/507708836.db2.gz ASWYGQPAMIXYNV-CTNGQTDRSA-N 1 2 355.482 3.374 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000602444645 507712787 /nfs/dbraw/zinc/71/27/87/507712787.db2.gz JYZBGPRGBBAOPH-UHFFFAOYSA-N 1 2 359.380 3.078 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CCC1 ZINC000615227772 507780886 /nfs/dbraw/zinc/78/08/86/507780886.db2.gz MUEJBFJNEFKJKR-OAHLLOKOSA-N 1 2 362.271 3.148 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)CCC1 ZINC000615227772 507780880 /nfs/dbraw/zinc/78/08/80/507780880.db2.gz MUEJBFJNEFKJKR-OAHLLOKOSA-N 1 2 362.271 3.148 20 30 FGEDLO Cc1cccn2c(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)c[nH+]c12 ZINC000822367025 599113532 /nfs/dbraw/zinc/11/35/32/599113532.db2.gz ZDWHKJCPHOFEKT-GXDHUFHOSA-N 1 2 356.389 3.035 20 30 FGEDLO Cc1cccc2[nH+]cc(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)n21 ZINC000822340826 606392602 /nfs/dbraw/zinc/39/26/02/606392602.db2.gz JNZXIVHVAPMHGI-GXDHUFHOSA-N 1 2 356.389 3.035 20 30 FGEDLO C=CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919884 608652650 /nfs/dbraw/zinc/65/26/50/608652650.db2.gz SBQZERJYERSSNF-UHFFFAOYSA-N 1 2 356.411 3.025 20 30 FGEDLO C=CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919884 608652653 /nfs/dbraw/zinc/65/26/53/608652653.db2.gz SBQZERJYERSSNF-UHFFFAOYSA-N 1 2 356.411 3.025 20 30 FGEDLO N#Cc1ccc(-n2ccc(NC(=O)CCCn3cc[nH+]c3)n2)c(Cl)c1 ZINC000611802562 676055752 /nfs/dbraw/zinc/05/57/52/676055752.db2.gz CNYHRECKDLXGDZ-UHFFFAOYSA-N 1 2 354.801 3.013 20 30 FGEDLO C#CC[NH+]1CCN(Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)CC1 ZINC000044756430 695812015 /nfs/dbraw/zinc/81/20/15/695812015.db2.gz RRDOAJZGCRUFMB-UHFFFAOYSA-N 1 2 373.551 3.243 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450022 714748558 /nfs/dbraw/zinc/74/85/58/714748558.db2.gz KHUXPHGEEJVJIS-TXEJJXNPSA-N 1 2 358.326 3.250 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618450022 714748560 /nfs/dbraw/zinc/74/85/60/714748560.db2.gz KHUXPHGEEJVJIS-TXEJJXNPSA-N 1 2 358.326 3.250 20 30 FGEDLO C=CCCOCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000620189341 714900452 /nfs/dbraw/zinc/90/04/52/714900452.db2.gz NIMXNQPKXASVOO-INIZCTEOSA-N 1 2 354.853 3.325 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1Cc2ccc(Br)cc2C1=O ZINC000802726616 724402277 /nfs/dbraw/zinc/40/22/77/724402277.db2.gz ZXJJMMKQOSWUGE-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1Cc2ccc(Br)cc2C1=O ZINC000802726616 724402278 /nfs/dbraw/zinc/40/22/78/724402278.db2.gz ZXJJMMKQOSWUGE-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1Cc2c(cccc2Br)C1=O ZINC000802725520 724402282 /nfs/dbraw/zinc/40/22/82/724402282.db2.gz IJVCKCPMKGTHHS-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1Cc2c(cccc2Br)C1=O ZINC000802725520 724402283 /nfs/dbraw/zinc/40/22/83/724402283.db2.gz IJVCKCPMKGTHHS-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782209437 724638713 /nfs/dbraw/zinc/63/87/13/724638713.db2.gz FZXGNFONHDHZEZ-GDBMZVCRSA-N 1 2 357.445 3.279 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782209437 724638716 /nfs/dbraw/zinc/63/87/16/724638716.db2.gz FZXGNFONHDHZEZ-GDBMZVCRSA-N 1 2 357.445 3.279 20 30 FGEDLO N#Cc1cccc(OCCO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782948986 724711117 /nfs/dbraw/zinc/71/11/17/724711117.db2.gz OHCJJHPURXVOPZ-UHFFFAOYSA-N 1 2 360.211 3.037 20 30 FGEDLO C#Cc1cccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000726443064 722434292 /nfs/dbraw/zinc/43/42/92/722434292.db2.gz LMCNICLATACAGP-UHFFFAOYSA-N 1 2 351.475 3.309 20 30 FGEDLO C#C[C@H](CC)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753274599 722892412 /nfs/dbraw/zinc/89/24/12/722892412.db2.gz ZXSQFGLTGCXSLD-CJNGLKHVSA-N 1 2 351.853 3.327 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899854 722947712 /nfs/dbraw/zinc/94/77/12/722947712.db2.gz LRTABXYGZJTEJT-SJLPKXTDSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899854 722947713 /nfs/dbraw/zinc/94/77/13/722947713.db2.gz LRTABXYGZJTEJT-SJLPKXTDSA-N 1 2 357.816 3.031 20 30 FGEDLO FC(F)(F)c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755805389 722957229 /nfs/dbraw/zinc/95/72/29/722957229.db2.gz TWHDTNARTGOHNV-UHFFFAOYSA-N 1 2 356.373 3.445 20 30 FGEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000761228751 723135248 /nfs/dbraw/zinc/13/52/48/723135248.db2.gz DFYYLFCXWJBBHY-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000761228751 723135250 /nfs/dbraw/zinc/13/52/50/723135250.db2.gz DFYYLFCXWJBBHY-UHFFFAOYSA-N 1 2 358.230 3.486 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)c(Cl)c1 ZINC000769920769 723700919 /nfs/dbraw/zinc/70/09/19/723700919.db2.gz MCWGKERPSVWLKT-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO Cn1nc(C(F)(F)F)c(CO[NH+]=C(N)c2ccc(F)cc2)c1Cl ZINC000774725077 723924278 /nfs/dbraw/zinc/92/42/78/723924278.db2.gz VYDZNVNGTMXCPS-UHFFFAOYSA-N 1 2 350.703 3.069 20 30 FGEDLO CN=c1scc(-c2cc(C)no2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000776747733 724178737 /nfs/dbraw/zinc/17/87/37/724178737.db2.gz HEXYFLDCHDBZKV-UHFFFAOYSA-N 1 2 370.463 3.173 20 30 FGEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc[nH+]c(N(C)C)c1 ZINC000801666045 724323238 /nfs/dbraw/zinc/32/32/38/724323238.db2.gz QJTHALNBBIZXEY-UHFFFAOYSA-N 1 2 352.825 3.344 20 30 FGEDLO C#Cc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000787773714 725038089 /nfs/dbraw/zinc/03/80/89/725038089.db2.gz DLSRTYUGEJOUMZ-QGZVFWFLSA-N 1 2 357.251 3.089 20 30 FGEDLO C#Cc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000787773714 725038090 /nfs/dbraw/zinc/03/80/90/725038090.db2.gz DLSRTYUGEJOUMZ-QGZVFWFLSA-N 1 2 357.251 3.089 20 30 FGEDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(Br)cc1C#N ZINC000805736253 725090489 /nfs/dbraw/zinc/09/04/89/725090489.db2.gz VDHGNXNBFJSMET-UHFFFAOYSA-N 1 2 358.239 3.052 20 30 FGEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(Br)cc1C#N ZINC000805736253 725090492 /nfs/dbraw/zinc/09/04/92/725090492.db2.gz VDHGNXNBFJSMET-UHFFFAOYSA-N 1 2 358.239 3.052 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(F)cc(Br)c2)n1 ZINC000789325656 725122336 /nfs/dbraw/zinc/12/23/36/725122336.db2.gz HNHCBWUIDBXDJH-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(F)cc(Br)c2)n1 ZINC000789325656 725122338 /nfs/dbraw/zinc/12/23/38/725122338.db2.gz HNHCBWUIDBXDJH-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO C[C@@H]1C[C@H](C)[N@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294575 727237573 /nfs/dbraw/zinc/23/75/73/727237573.db2.gz WRUTTZSIFRIDPM-HZSPNIEDSA-N 1 2 364.515 3.386 20 30 FGEDLO C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294575 727237576 /nfs/dbraw/zinc/23/75/76/727237576.db2.gz WRUTTZSIFRIDPM-HZSPNIEDSA-N 1 2 364.515 3.386 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C#Cc2cccs2)C[C@@H](C)O1 ZINC000825290058 729377203 /nfs/dbraw/zinc/37/72/03/729377203.db2.gz MXHNPILRRYOJKQ-HZPDHXFCSA-N 1 2 354.475 3.348 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000847022527 731008074 /nfs/dbraw/zinc/00/80/74/731008074.db2.gz IADKNGXCMQPYBO-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000847022527 731008079 /nfs/dbraw/zinc/00/80/79/731008079.db2.gz IADKNGXCMQPYBO-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000847026944 731008369 /nfs/dbraw/zinc/00/83/69/731008369.db2.gz ILIZLWUPUALFLD-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000847026944 731008373 /nfs/dbraw/zinc/00/83/73/731008373.db2.gz ILIZLWUPUALFLD-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO FC(F)Oc1c(Br)cccc1C=NNCCCn1cc[nH+]c1 ZINC000848419279 731162325 /nfs/dbraw/zinc/16/23/25/731162325.db2.gz WSWGLLSGRIPWKB-UHFFFAOYSA-N 1 2 373.201 3.261 20 30 FGEDLO CC(=[NH+]NCC(F)(F)C(F)(F)F)c1cccc(N2CCOCC2)c1 ZINC000863179424 732920309 /nfs/dbraw/zinc/92/03/09/732920309.db2.gz ISLROVKICRZPHF-UHFFFAOYSA-N 1 2 351.319 3.034 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000874244375 735853102 /nfs/dbraw/zinc/85/31/02/735853102.db2.gz HEUHFSQDVZQVFB-HNNXBMFYSA-N 1 2 353.319 3.178 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000877664739 736701816 /nfs/dbraw/zinc/70/18/16/736701816.db2.gz WSMPZWGNCNBUBM-CQSZACIVSA-N 1 2 355.747 3.449 20 30 FGEDLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000880008848 737098465 /nfs/dbraw/zinc/09/84/65/737098465.db2.gz HSICRIXROFOBDU-CYBMUJFWSA-N 1 2 360.508 3.430 20 30 FGEDLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000880008848 737098466 /nfs/dbraw/zinc/09/84/66/737098466.db2.gz HSICRIXROFOBDU-CYBMUJFWSA-N 1 2 360.508 3.430 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000880480638 737179304 /nfs/dbraw/zinc/17/93/04/737179304.db2.gz ZRAOSSOJXLIADS-GFCCVEGCSA-N 1 2 355.265 3.171 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000896653702 742577699 /nfs/dbraw/zinc/57/76/99/742577699.db2.gz IUUTUXIAGFPPTB-MRXNPFEDSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000896653702 742577702 /nfs/dbraw/zinc/57/77/02/742577702.db2.gz IUUTUXIAGFPPTB-MRXNPFEDSA-N 1 2 372.270 3.187 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccsc1C#N ZINC000906850402 744165655 /nfs/dbraw/zinc/16/56/55/744165655.db2.gz OTRRRDRBDJTNBT-UHFFFAOYSA-N 1 2 354.479 3.393 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000914607207 757810587 /nfs/dbraw/zinc/81/05/87/757810587.db2.gz LUFQMUDHLUSTCY-CYBMUJFWSA-N 1 2 358.467 3.263 20 30 FGEDLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000930924687 760732478 /nfs/dbraw/zinc/73/24/78/760732478.db2.gz QZAMWXWCJWFGLO-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(Br)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000930924687 760732482 /nfs/dbraw/zinc/73/24/82/760732482.db2.gz QZAMWXWCJWFGLO-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC000933633327 761443072 /nfs/dbraw/zinc/44/30/72/761443072.db2.gz MGDHPDQLKMTLTI-GOSISDBHSA-N 1 2 354.841 3.001 20 30 FGEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC000933633327 761443077 /nfs/dbraw/zinc/44/30/77/761443077.db2.gz MGDHPDQLKMTLTI-GOSISDBHSA-N 1 2 354.841 3.001 20 30 FGEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 ZINC000934463470 761633543 /nfs/dbraw/zinc/63/35/43/761633543.db2.gz WMAXPHNPIKBWBD-AWEZNQCLSA-N 1 2 353.447 3.090 20 30 FGEDLO C=CC[C@H]1CC[N@H+]1Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 ZINC000934463470 761633549 /nfs/dbraw/zinc/63/35/49/761633549.db2.gz WMAXPHNPIKBWBD-AWEZNQCLSA-N 1 2 353.447 3.090 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000970446455 762874778 /nfs/dbraw/zinc/87/47/78/762874778.db2.gz FHDBERDVUNSBEU-DWQUBVKVSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000970447495 762875404 /nfs/dbraw/zinc/87/54/04/762875404.db2.gz QWXWKBATOJSQPH-PNPHSEOMSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001003363233 765374772 /nfs/dbraw/zinc/37/47/72/765374772.db2.gz BFWSALSHCMNYDG-CWRNSKLLSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001015727273 765800818 /nfs/dbraw/zinc/80/08/18/765800818.db2.gz ZAUJSWJEQIQBRC-INMHGKMJSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001015727273 765800824 /nfs/dbraw/zinc/80/08/24/765800824.db2.gz ZAUJSWJEQIQBRC-INMHGKMJSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001031077409 766176938 /nfs/dbraw/zinc/17/69/38/766176938.db2.gz SMSIZDBCASSVOX-OALUTQOASA-N 1 2 362.901 3.054 20 30 FGEDLO CN(C(=O)[C@]12C[C@H]1CCC2)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033279444 766211333 /nfs/dbraw/zinc/21/13/33/766211333.db2.gz HEBUHHAFWDHWDE-DBXWQHBBSA-N 1 2 356.897 3.414 20 30 FGEDLO CN(C(=O)[C@]12C[C@H]1CCC2)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033279444 766211338 /nfs/dbraw/zinc/21/13/38/766211338.db2.gz HEBUHHAFWDHWDE-DBXWQHBBSA-N 1 2 356.897 3.414 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001042741783 766385964 /nfs/dbraw/zinc/38/59/64/766385964.db2.gz VWUFWZNZVQRGHW-MJGOQNOKSA-N 1 2 362.901 3.006 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780564 766810597 /nfs/dbraw/zinc/81/05/97/766810597.db2.gz IFIWOYMNQQCDQK-YLFCFFPRSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780564 766810607 /nfs/dbraw/zinc/81/06/07/766810607.db2.gz IFIWOYMNQQCDQK-YLFCFFPRSA-N 1 2 367.331 3.397 20 30 FGEDLO COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1[nH+]ccn1C ZINC000021901735 220369643 /nfs/dbraw/zinc/36/96/43/220369643.db2.gz VIIOWFSDAUNNNS-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(C#N)s1 ZINC000359902028 533473554 /nfs/dbraw/zinc/47/35/54/533473554.db2.gz RBACIBOCKHNHSI-NXEZZACHSA-N 1 2 355.389 3.187 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000573614483 505578879 /nfs/dbraw/zinc/57/88/79/505578879.db2.gz JPSWVYWLUCPLDC-HNNXBMFYSA-N 1 2 368.915 3.028 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000576745164 505584026 /nfs/dbraw/zinc/58/40/26/505584026.db2.gz VFEQXCBCLVGQHL-KRWDZBQOSA-N 1 2 365.355 3.369 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000576745164 505584030 /nfs/dbraw/zinc/58/40/30/505584030.db2.gz VFEQXCBCLVGQHL-KRWDZBQOSA-N 1 2 365.355 3.369 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000567995326 505592795 /nfs/dbraw/zinc/59/27/95/505592795.db2.gz HYIXOOCZGNTJHJ-HNNXBMFYSA-N 1 2 366.284 3.237 20 30 FGEDLO CN1CC[N@@H+](CCNc2c(C#N)cnc3c(Cl)cccc32)CC1(C)C ZINC000579704831 505605198 /nfs/dbraw/zinc/60/51/98/505605198.db2.gz NKTZNCNJQSPNJZ-UHFFFAOYSA-N 1 2 357.889 3.198 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000568328028 505667270 /nfs/dbraw/zinc/66/72/70/505667270.db2.gz CHXJYULMAPECQX-WDEREUQCSA-N 1 2 373.482 3.258 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916732 493795419 /nfs/dbraw/zinc/79/54/19/493795419.db2.gz NPZKZGISNMSXLY-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916732 493795424 /nfs/dbraw/zinc/79/54/24/493795424.db2.gz NPZKZGISNMSXLY-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748748 493799570 /nfs/dbraw/zinc/79/95/70/493799570.db2.gz QCNQMLCVEGJJJS-KRWDZBQOSA-N 1 2 362.458 3.405 20 30 FGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748748 493799573 /nfs/dbraw/zinc/79/95/73/493799573.db2.gz QCNQMLCVEGJJJS-KRWDZBQOSA-N 1 2 362.458 3.405 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1F ZINC000048255626 493808407 /nfs/dbraw/zinc/80/84/07/493808407.db2.gz WBJNNHGZUSNLGM-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO Cc1cc(C)cc(OCC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000029226304 493826786 /nfs/dbraw/zinc/82/67/86/493826786.db2.gz BBZNOHIVNKOTNX-UHFFFAOYSA-N 1 2 366.465 3.242 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000029225418 493826835 /nfs/dbraw/zinc/82/68/35/493826835.db2.gz LCYNWWSLXGTZME-UHFFFAOYSA-N 1 2 372.856 3.278 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000081512366 493906663 /nfs/dbraw/zinc/90/66/63/493906663.db2.gz RWSGVUPGZZTPGT-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000081512366 493906668 /nfs/dbraw/zinc/90/66/68/493906668.db2.gz RWSGVUPGZZTPGT-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000069072257 493915921 /nfs/dbraw/zinc/91/59/21/493915921.db2.gz QAUIKMYCFFPMQT-INIZCTEOSA-N 1 2 369.440 3.023 20 30 FGEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000069072257 493915924 /nfs/dbraw/zinc/91/59/24/493915924.db2.gz QAUIKMYCFFPMQT-INIZCTEOSA-N 1 2 369.440 3.023 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060467228 493937174 /nfs/dbraw/zinc/93/71/74/493937174.db2.gz OBARBTCWYGFIKV-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000076758646 493966243 /nfs/dbraw/zinc/96/62/43/493966243.db2.gz COYCOLVTJSVFSP-SFHVURJKSA-N 1 2 366.465 3.464 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000076758646 493966248 /nfs/dbraw/zinc/96/62/48/493966248.db2.gz COYCOLVTJSVFSP-SFHVURJKSA-N 1 2 366.465 3.464 20 30 FGEDLO Cc1ncc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000052101650 494005053 /nfs/dbraw/zinc/00/50/53/494005053.db2.gz NBTRKOKFUKHIJS-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000052101650 494005054 /nfs/dbraw/zinc/00/50/54/494005054.db2.gz NBTRKOKFUKHIJS-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccs1 ZINC000053099333 494093471 /nfs/dbraw/zinc/09/34/71/494093471.db2.gz UETBTCRGBZFYEB-UHFFFAOYSA-N 1 2 357.479 3.143 20 30 FGEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccs1 ZINC000053099333 494093475 /nfs/dbraw/zinc/09/34/75/494093475.db2.gz UETBTCRGBZFYEB-UHFFFAOYSA-N 1 2 357.479 3.143 20 30 FGEDLO Cc1ccccc1N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000038288004 494112517 /nfs/dbraw/zinc/11/25/17/494112517.db2.gz BBGVTXUIFNVVIH-UHFFFAOYSA-N 1 2 362.477 3.064 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000053703849 494159713 /nfs/dbraw/zinc/15/97/13/494159713.db2.gz UKNDXXGDTQCOJR-NRFANRHFSA-N 1 2 374.444 3.139 20 30 FGEDLO C=CCOc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1OC ZINC000010737413 494160268 /nfs/dbraw/zinc/16/02/68/494160268.db2.gz GOQYZRFMCNZHNO-UHFFFAOYSA-N 1 2 365.433 3.348 20 30 FGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000077912180 494199632 /nfs/dbraw/zinc/19/96/32/494199632.db2.gz MHAOHBRXWAVHOQ-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000072560830 494202709 /nfs/dbraw/zinc/20/27/09/494202709.db2.gz PQLXWFGUOZGISH-UHFFFAOYSA-N 1 2 362.389 3.027 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000072560830 494202713 /nfs/dbraw/zinc/20/27/13/494202713.db2.gz PQLXWFGUOZGISH-UHFFFAOYSA-N 1 2 362.389 3.027 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077982241 494208878 /nfs/dbraw/zinc/20/88/78/494208878.db2.gz VXFHOAJZXUNVDW-FQEVSTJZSA-N 1 2 364.449 3.367 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077982241 494208886 /nfs/dbraw/zinc/20/88/86/494208886.db2.gz VXFHOAJZXUNVDW-FQEVSTJZSA-N 1 2 364.449 3.367 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000043329375 494287560 /nfs/dbraw/zinc/28/75/60/494287560.db2.gz FOJBNUIEHNGDNZ-UHFFFAOYSA-N 1 2 364.449 3.307 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066565692 494356182 /nfs/dbraw/zinc/35/61/82/494356182.db2.gz UJAJKVZFHYRXOD-HNNXBMFYSA-N 1 2 372.494 3.227 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565692 494356184 /nfs/dbraw/zinc/35/61/84/494356184.db2.gz UJAJKVZFHYRXOD-HNNXBMFYSA-N 1 2 372.494 3.227 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1 ZINC000577376397 505716407 /nfs/dbraw/zinc/71/64/07/505716407.db2.gz ZVFUHPIJHYLWBA-GOSISDBHSA-N 1 2 362.458 3.354 20 30 FGEDLO Cc1nc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000079272936 494428992 /nfs/dbraw/zinc/42/89/92/494428992.db2.gz MCYPVRAQHHWGNF-HUUCEWRRSA-N 1 2 364.449 3.123 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079485015 494463175 /nfs/dbraw/zinc/46/31/75/494463175.db2.gz BXCPHNUJGOCKSZ-UHFFFAOYSA-N 1 2 365.481 3.255 20 30 FGEDLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056444038 494506937 /nfs/dbraw/zinc/50/69/37/494506937.db2.gz XBYCNZFHNHZDEF-SFHVURJKSA-N 1 2 362.477 3.455 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(N)cc(C)[nH+]2)c1 ZINC000074341018 494521453 /nfs/dbraw/zinc/52/14/53/494521453.db2.gz WAGPERXAEZHJOV-HNNXBMFYSA-N 1 2 369.494 3.412 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000024016569 494594974 /nfs/dbraw/zinc/59/49/74/494594974.db2.gz IWUJIIXXASUFJO-FQEVSTJZSA-N 1 2 362.408 3.269 20 30 FGEDLO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000126057453 494621934 /nfs/dbraw/zinc/62/19/34/494621934.db2.gz UZBRZDQLZNUIPK-KRWDZBQOSA-N 1 2 355.463 3.330 20 30 FGEDLO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000126057453 494621940 /nfs/dbraw/zinc/62/19/40/494621940.db2.gz UZBRZDQLZNUIPK-KRWDZBQOSA-N 1 2 355.463 3.330 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1Cl ZINC000121178794 494632812 /nfs/dbraw/zinc/63/28/12/494632812.db2.gz CGZZQSCKGROOQU-KRWDZBQOSA-N 1 2 359.813 3.207 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccco3)C2)cc1Cl ZINC000121178794 494632821 /nfs/dbraw/zinc/63/28/21/494632821.db2.gz CGZZQSCKGROOQU-KRWDZBQOSA-N 1 2 359.813 3.207 20 30 FGEDLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091815289 494688629 /nfs/dbraw/zinc/68/86/29/494688629.db2.gz OXFXVJSODBMCBU-OAQYLSRUSA-N 1 2 361.445 3.273 20 30 FGEDLO CCOc1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091815289 494688634 /nfs/dbraw/zinc/68/86/34/494688634.db2.gz OXFXVJSODBMCBU-OAQYLSRUSA-N 1 2 361.445 3.273 20 30 FGEDLO CCOc1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091815288 494688861 /nfs/dbraw/zinc/68/88/61/494688861.db2.gz OXFXVJSODBMCBU-NRFANRHFSA-N 1 2 361.445 3.273 20 30 FGEDLO CCOc1ccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000091815288 494688869 /nfs/dbraw/zinc/68/88/69/494688869.db2.gz OXFXVJSODBMCBU-NRFANRHFSA-N 1 2 361.445 3.273 20 30 FGEDLO Cc1noc(C)c1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000091890481 494714843 /nfs/dbraw/zinc/71/48/43/494714843.db2.gz MQRCLWSFYVTUKV-UHFFFAOYSA-N 1 2 368.481 3.292 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000091890481 494714855 /nfs/dbraw/zinc/71/48/55/494714855.db2.gz MQRCLWSFYVTUKV-UHFFFAOYSA-N 1 2 368.481 3.292 20 30 FGEDLO CCn1c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc2ccccc21 ZINC000091918292 494721174 /nfs/dbraw/zinc/72/11/74/494721174.db2.gz ODMHDPKAGZFTTI-UHFFFAOYSA-N 1 2 363.440 3.389 20 30 FGEDLO CCC[C@@H](C#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000092006047 494749578 /nfs/dbraw/zinc/74/95/78/494749578.db2.gz CPRJTOMPVQFPHP-JKSUJKDBSA-N 1 2 364.287 3.394 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc(OC)c1O ZINC000092040241 494766431 /nfs/dbraw/zinc/76/64/31/494766431.db2.gz JSHTZACNFOKLPH-MSOLQXFVSA-N 1 2 373.449 3.047 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc(OC)c1O ZINC000092040241 494766441 /nfs/dbraw/zinc/76/64/41/494766441.db2.gz JSHTZACNFOKLPH-MSOLQXFVSA-N 1 2 373.449 3.047 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000116602088 494823575 /nfs/dbraw/zinc/82/35/75/494823575.db2.gz QYJKZCILFSGHBT-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO N#CC1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCOCC1 ZINC000109140898 494837671 /nfs/dbraw/zinc/83/76/71/494837671.db2.gz UAGUDHWTWNWVQQ-UHFFFAOYSA-N 1 2 350.422 3.145 20 30 FGEDLO Cc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)o1 ZINC000121792321 494861532 /nfs/dbraw/zinc/86/15/32/494861532.db2.gz RJYZNHWYYFSPDQ-MEGCXXLRSA-N 1 2 365.433 3.334 20 30 FGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000121841311 494872761 /nfs/dbraw/zinc/87/27/61/494872761.db2.gz YBHFUDOXPXEPNV-IBGZPJMESA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000121841311 494872765 /nfs/dbraw/zinc/87/27/65/494872765.db2.gz YBHFUDOXPXEPNV-IBGZPJMESA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@H]1CN(CC#Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000121841311 494872767 /nfs/dbraw/zinc/87/27/67/494872767.db2.gz YBHFUDOXPXEPNV-IBGZPJMESA-N 1 2 364.439 3.374 20 30 FGEDLO C[C@H]1CN(CC#Cc2ccc(F)cc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000121841311 494872771 /nfs/dbraw/zinc/87/27/71/494872771.db2.gz YBHFUDOXPXEPNV-IBGZPJMESA-N 1 2 364.439 3.374 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106450 494894118 /nfs/dbraw/zinc/89/41/18/494894118.db2.gz BRASYCAMAMBBQZ-ROUUACIJSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106450 494894120 /nfs/dbraw/zinc/89/41/20/494894120.db2.gz BRASYCAMAMBBQZ-ROUUACIJSA-N 1 2 356.376 3.403 20 30 FGEDLO CCO[C@@H](C)c1nc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)cs1 ZINC000093737333 494916082 /nfs/dbraw/zinc/91/60/82/494916082.db2.gz IGGVOGQZKNTNAG-ZDUSSCGKSA-N 1 2 355.467 3.392 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)CC#Cc2cccc(Cl)c2)cc(OC)c1 ZINC000127274204 494920342 /nfs/dbraw/zinc/92/03/42/494920342.db2.gz JDZZTJHUSAZURX-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)CC#Cc2cccc(Cl)c2)cc(OC)c1 ZINC000127274204 494920346 /nfs/dbraw/zinc/92/03/46/494920346.db2.gz JDZZTJHUSAZURX-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000118397528 494999753 /nfs/dbraw/zinc/99/97/53/494999753.db2.gz BWPXNEHCYQHDGO-GOSISDBHSA-N 1 2 368.525 3.028 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)c1 ZINC000133397034 495009537 /nfs/dbraw/zinc/00/95/37/495009537.db2.gz PSKPBPDUXOESIE-UHFFFAOYSA-N 1 2 362.433 3.388 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)c1 ZINC000133397034 495009539 /nfs/dbraw/zinc/00/95/39/495009539.db2.gz PSKPBPDUXOESIE-UHFFFAOYSA-N 1 2 362.433 3.388 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000122704231 495018805 /nfs/dbraw/zinc/01/88/05/495018805.db2.gz IFEXOJLZTPKKOI-QGZVFWFLSA-N 1 2 372.513 3.125 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)c1C#N ZINC000122704231 495018808 /nfs/dbraw/zinc/01/88/08/495018808.db2.gz IFEXOJLZTPKKOI-QGZVFWFLSA-N 1 2 372.513 3.125 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1Br ZINC000122937456 495055757 /nfs/dbraw/zinc/05/57/57/495055757.db2.gz MZEKNXKGLGDCDP-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000122956877 495059051 /nfs/dbraw/zinc/05/90/51/495059051.db2.gz TVAQURRYNJGYKS-UHFFFAOYSA-N 1 2 362.355 3.174 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000128280508 495072220 /nfs/dbraw/zinc/07/22/20/495072220.db2.gz HZGHREWOJFWIGZ-HNNXBMFYSA-N 1 2 361.873 3.136 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000128280508 495072224 /nfs/dbraw/zinc/07/22/24/495072224.db2.gz HZGHREWOJFWIGZ-HNNXBMFYSA-N 1 2 361.873 3.136 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1ccc(OCC#N)cc1)C2 ZINC000112668785 495220868 /nfs/dbraw/zinc/22/08/68/495220868.db2.gz CCTCFLKTHLWVKO-RMKNXTFCSA-N 1 2 364.449 3.044 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)s1 ZINC000124052886 495226598 /nfs/dbraw/zinc/22/65/98/495226598.db2.gz ZZBGIGCFIAPUBP-UHFFFAOYSA-N 1 2 371.491 3.049 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1C#N ZINC000135023365 495240099 /nfs/dbraw/zinc/24/00/99/495240099.db2.gz LGPLYQSPVKYLGX-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000135159577 495257409 /nfs/dbraw/zinc/25/74/09/495257409.db2.gz CINPZUHHUTTXDV-MGPUTAFESA-N 1 2 352.434 3.249 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1C#N ZINC000135180623 495259410 /nfs/dbraw/zinc/25/94/10/495259410.db2.gz YCAKNZXITGUZOL-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000112977549 495261584 /nfs/dbraw/zinc/26/15/84/495261584.db2.gz UITVZFHKEHLOQU-UHFFFAOYSA-N 1 2 351.425 3.320 20 30 FGEDLO CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000112977549 495261586 /nfs/dbraw/zinc/26/15/86/495261586.db2.gz UITVZFHKEHLOQU-UHFFFAOYSA-N 1 2 351.425 3.320 20 30 FGEDLO N#CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000129759244 495291036 /nfs/dbraw/zinc/29/10/36/495291036.db2.gz PFBNUANEFWWJMR-RTBURBONSA-N 1 2 363.465 3.395 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000125112994 495393071 /nfs/dbraw/zinc/39/30/71/495393071.db2.gz CDCPILMDWZNQFB-AWEZNQCLSA-N 1 2 372.469 3.347 20 30 FGEDLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(C#N)c1 ZINC000106445988 495456453 /nfs/dbraw/zinc/45/64/53/495456453.db2.gz CPGMWNBXNWGBSV-UHFFFAOYSA-N 1 2 354.410 3.378 20 30 FGEDLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(C#N)c1 ZINC000106445988 495456456 /nfs/dbraw/zinc/45/64/56/495456456.db2.gz CPGMWNBXNWGBSV-UHFFFAOYSA-N 1 2 354.410 3.378 20 30 FGEDLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115537176 495514613 /nfs/dbraw/zinc/51/46/13/495514613.db2.gz KFELDLBNZMLBEZ-OAQYLSRUSA-N 1 2 363.461 3.245 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000115556846 495516960 /nfs/dbraw/zinc/51/69/60/495516960.db2.gz KFJAZHQVRNROJH-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000176199288 495543597 /nfs/dbraw/zinc/54/35/97/495543597.db2.gz QDERZFMVKRWPSJ-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000176199288 495543601 /nfs/dbraw/zinc/54/36/01/495543601.db2.gz QDERZFMVKRWPSJ-UHFFFAOYSA-N 1 2 370.449 3.260 20 30 FGEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179363440 495561665 /nfs/dbraw/zinc/56/16/65/495561665.db2.gz JUPPUPGEJRMGEM-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179363440 495561666 /nfs/dbraw/zinc/56/16/66/495561666.db2.gz JUPPUPGEJRMGEM-FUHWJXTLSA-N 1 2 372.831 3.229 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185408469 495566239 /nfs/dbraw/zinc/56/62/39/495566239.db2.gz WLCLCSBTAWZGAE-CVEARBPZSA-N 1 2 356.470 3.124 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185487576 495595058 /nfs/dbraw/zinc/59/50/58/495595058.db2.gz VTXSWRDDJCRTJB-INIZCTEOSA-N 1 2 371.506 3.386 20 30 FGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1OC ZINC000179655134 495679133 /nfs/dbraw/zinc/67/91/33/495679133.db2.gz WEWLDHODBNSTFS-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C#N)cc1OC ZINC000179655134 495679137 /nfs/dbraw/zinc/67/91/37/495679137.db2.gz WEWLDHODBNSTFS-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000154665946 495689325 /nfs/dbraw/zinc/68/93/25/495689325.db2.gz PHILXBYTMCLBQU-OALUTQOASA-N 1 2 354.454 3.004 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000154805340 495734015 /nfs/dbraw/zinc/73/40/15/495734015.db2.gz RSDZUJGCAKROBT-UHFFFAOYSA-N 1 2 374.444 3.496 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000171142884 495741117 /nfs/dbraw/zinc/74/11/17/495741117.db2.gz XPJVRLKCGRDROD-UHFFFAOYSA-N 1 2 366.469 3.432 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000171158814 495748497 /nfs/dbraw/zinc/74/84/97/495748497.db2.gz IBWPXPSFMZLRGV-UHFFFAOYSA-N 1 2 360.417 3.401 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(C#N)c1C ZINC000154910126 495769167 /nfs/dbraw/zinc/76/91/67/495769167.db2.gz WUUWTICEOFHEOR-INIZCTEOSA-N 1 2 367.405 3.272 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(C#N)c1C ZINC000154910126 495769171 /nfs/dbraw/zinc/76/91/71/495769171.db2.gz WUUWTICEOFHEOR-INIZCTEOSA-N 1 2 367.405 3.272 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000174058711 495804935 /nfs/dbraw/zinc/80/49/35/495804935.db2.gz VREJIFDRJJHUMN-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000174058711 495804940 /nfs/dbraw/zinc/80/49/40/495804940.db2.gz VREJIFDRJJHUMN-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)cc2C)c2[nH+]ccn2C)cc1 ZINC000160279385 495926028 /nfs/dbraw/zinc/92/60/28/495926028.db2.gz LTSXNFAJNYVDEX-IBGZPJMESA-N 1 2 360.417 3.128 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000186291550 495931652 /nfs/dbraw/zinc/93/16/52/495931652.db2.gz CLKSEGLFXHUORK-AVRDEDQJSA-N 1 2 374.488 3.042 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1OC ZINC000155397119 495944798 /nfs/dbraw/zinc/94/47/98/495944798.db2.gz WETJDTYJWNKKDZ-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)ccc1OC ZINC000155397119 495944802 /nfs/dbraw/zinc/94/48/02/495944802.db2.gz WETJDTYJWNKKDZ-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000155669237 496031463 /nfs/dbraw/zinc/03/14/63/496031463.db2.gz JYRDRQYIVJXFTI-CYBMUJFWSA-N 1 2 361.371 3.078 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000155669237 496031467 /nfs/dbraw/zinc/03/14/67/496031467.db2.gz JYRDRQYIVJXFTI-CYBMUJFWSA-N 1 2 361.371 3.078 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000186598556 496065611 /nfs/dbraw/zinc/06/56/11/496065611.db2.gz FZJDEXXMMDBYOZ-FQEVSTJZSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000186598556 496065616 /nfs/dbraw/zinc/06/56/16/496065616.db2.gz FZJDEXXMMDBYOZ-FQEVSTJZSA-N 1 2 367.836 3.282 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000160930466 496070285 /nfs/dbraw/zinc/07/02/85/496070285.db2.gz YSOVKIULKWUQKG-FQEVSTJZSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000160930466 496070291 /nfs/dbraw/zinc/07/02/91/496070291.db2.gz YSOVKIULKWUQKG-FQEVSTJZSA-N 1 2 351.425 3.482 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186628781 496080729 /nfs/dbraw/zinc/08/07/29/496080729.db2.gz UFAIFYGNXSFCPX-HXUWFJFHSA-N 1 2 367.474 3.307 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186628781 496080732 /nfs/dbraw/zinc/08/07/32/496080732.db2.gz UFAIFYGNXSFCPX-HXUWFJFHSA-N 1 2 367.474 3.307 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186628806 496080876 /nfs/dbraw/zinc/08/08/76/496080876.db2.gz UFAIFYGNXSFCPX-FQEVSTJZSA-N 1 2 367.474 3.307 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186628806 496080879 /nfs/dbraw/zinc/08/08/79/496080879.db2.gz UFAIFYGNXSFCPX-FQEVSTJZSA-N 1 2 367.474 3.307 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1SC ZINC000171949062 496104993 /nfs/dbraw/zinc/10/49/93/496104993.db2.gz BFAVANMAKGLVTN-UHFFFAOYSA-N 1 2 354.479 3.006 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177601819 496127747 /nfs/dbraw/zinc/12/77/47/496127747.db2.gz DBTMGENCZFTMHR-WMLDXEAASA-N 1 2 353.426 3.268 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000174906591 496158992 /nfs/dbraw/zinc/15/89/92/496158992.db2.gz FIHHXOMTHSGUQW-IBGZPJMESA-N 1 2 370.497 3.206 20 30 FGEDLO N#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1F ZINC000161382004 496164461 /nfs/dbraw/zinc/16/44/61/496164461.db2.gz XVELTYFNFFYQTR-RTBURBONSA-N 1 2 369.465 3.297 20 30 FGEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178069106 496314778 /nfs/dbraw/zinc/31/47/78/496314778.db2.gz QMTQYNKIARFJJG-UHFFFAOYSA-N 1 2 372.384 3.308 20 30 FGEDLO CC1(C)CCCc2cc(C#N)c(N3CC[NH+](Cc4cccnc4)CC3)nc21 ZINC000569066066 505842606 /nfs/dbraw/zinc/84/26/06/505842606.db2.gz TYIHVLXLKWKUJC-UHFFFAOYSA-N 1 2 361.493 3.284 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(F)c(F)c1 ZINC000187375214 496416230 /nfs/dbraw/zinc/41/62/30/496416230.db2.gz XZMVUPLUOQORBY-IBGZPJMESA-N 1 2 355.392 3.407 20 30 FGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000187445967 496443488 /nfs/dbraw/zinc/44/34/88/496443488.db2.gz BLOIQKLHWGZINJ-UHFFFAOYSA-N 1 2 366.465 3.250 20 30 FGEDLO COc1cc2cc[nH+]c(N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2cc1F ZINC000574739940 505845151 /nfs/dbraw/zinc/84/51/51/505845151.db2.gz LYEGSJKZALWHQG-HNNXBMFYSA-N 1 2 364.380 3.307 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1C ZINC000178442679 496458770 /nfs/dbraw/zinc/45/87/70/496458770.db2.gz HHRWCMMCHJVUHF-AWEZNQCLSA-N 1 2 371.412 3.269 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000178453194 496462492 /nfs/dbraw/zinc/46/24/92/496462492.db2.gz XCZNKMZIRDMIGM-UHFFFAOYSA-N 1 2 357.429 3.134 20 30 FGEDLO Cc1cc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(C#N)c[nH+]1 ZINC000574751455 505847578 /nfs/dbraw/zinc/84/75/78/505847578.db2.gz GNKMTBJCKKODES-QGZVFWFLSA-N 1 2 360.417 3.407 20 30 FGEDLO N#Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000157533972 496498312 /nfs/dbraw/zinc/49/83/12/496498312.db2.gz GTBZFGPLIDLHQF-IBGZPJMESA-N 1 2 370.384 3.091 20 30 FGEDLO COC(=O)[C@H]([NH2+]C[C@H]1CCCc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000164826679 496634572 /nfs/dbraw/zinc/63/45/72/496634572.db2.gz KNSKDMHJGDYYHF-WIYYLYMNSA-N 1 2 364.445 3.491 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185093774 496656363 /nfs/dbraw/zinc/65/63/63/496656363.db2.gz UPKKUDRMLWGTDG-GFCCVEGCSA-N 1 2 365.368 3.037 20 30 FGEDLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000167725231 496705122 /nfs/dbraw/zinc/70/51/22/496705122.db2.gz MZWNRYQMGFTXPZ-UHFFFAOYSA-N 1 2 368.400 3.490 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273255408 496754189 /nfs/dbraw/zinc/75/41/89/496754189.db2.gz BBBFWISOLOIONP-AWEZNQCLSA-N 1 2 358.417 3.035 20 30 FGEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000277422907 496768811 /nfs/dbraw/zinc/76/88/11/496768811.db2.gz GQVFLHUSCKHJDK-IBGZPJMESA-N 1 2 369.852 3.167 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)ccc1Cl ZINC000195696323 496960575 /nfs/dbraw/zinc/96/05/75/496960575.db2.gz CPCTWJGIVUCUSB-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)ccc1Cl ZINC000195696323 496960580 /nfs/dbraw/zinc/96/05/80/496960580.db2.gz CPCTWJGIVUCUSB-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCSCc1ccccc1C#N ZINC000198160893 496966021 /nfs/dbraw/zinc/96/60/21/496966021.db2.gz NXQKQUSUBKOZBB-UHFFFAOYSA-N 1 2 364.474 3.266 20 30 FGEDLO Cc1csc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000580960427 505878064 /nfs/dbraw/zinc/87/80/64/505878064.db2.gz MUCLSDUSSHKDEG-QGZVFWFLSA-N 1 2 370.478 3.123 20 30 FGEDLO C=C(C)CN(CC)C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270412288 497122815 /nfs/dbraw/zinc/12/28/15/497122815.db2.gz OEAQBIPDXZWQFG-UHFFFAOYSA-N 1 2 350.466 3.438 20 30 FGEDLO NC(=[NH+]OCc1ncc(C2CC2)o1)c1cccc(OCc2cccnc2)c1 ZINC000270450964 497130550 /nfs/dbraw/zinc/13/05/50/497130550.db2.gz NMXDKDJETPQEKN-UHFFFAOYSA-N 1 2 364.405 3.363 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192641694 497172551 /nfs/dbraw/zinc/17/25/51/497172551.db2.gz LPRBOGUMZQLNKE-MRXNPFEDSA-N 1 2 366.421 3.362 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192641694 497172554 /nfs/dbraw/zinc/17/25/54/497172554.db2.gz LPRBOGUMZQLNKE-MRXNPFEDSA-N 1 2 366.421 3.362 20 30 FGEDLO N#Cc1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000265767767 497178933 /nfs/dbraw/zinc/17/89/33/497178933.db2.gz IZUKDKQUSYYUAA-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000266729086 497407039 /nfs/dbraw/zinc/40/70/39/497407039.db2.gz LKCYQWXAOBXTDV-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1cccc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190263833 497418640 /nfs/dbraw/zinc/41/86/40/497418640.db2.gz MAXXAQKZHKFSAS-UHFFFAOYSA-N 1 2 368.868 3.069 20 30 FGEDLO N#Cc1cccc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190263833 497418644 /nfs/dbraw/zinc/41/86/44/497418644.db2.gz MAXXAQKZHKFSAS-UHFFFAOYSA-N 1 2 368.868 3.069 20 30 FGEDLO N#CCCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000245542263 497447101 /nfs/dbraw/zinc/44/71/01/497447101.db2.gz JXYOTEWSNUPETA-JKSUJKDBSA-N 1 2 371.378 3.356 20 30 FGEDLO N#CCCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000245542263 497447104 /nfs/dbraw/zinc/44/71/04/497447104.db2.gz JXYOTEWSNUPETA-JKSUJKDBSA-N 1 2 371.378 3.356 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000271811382 497457808 /nfs/dbraw/zinc/45/78/08/497457808.db2.gz KZEFMFOWPNIGIA-MRXNPFEDSA-N 1 2 368.481 3.137 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000271811382 497457813 /nfs/dbraw/zinc/45/78/13/497457813.db2.gz KZEFMFOWPNIGIA-MRXNPFEDSA-N 1 2 368.481 3.137 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617887 497475348 /nfs/dbraw/zinc/47/53/48/497475348.db2.gz VWUGHRBOZPKFFB-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617887 497475350 /nfs/dbraw/zinc/47/53/50/497475350.db2.gz VWUGHRBOZPKFFB-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000276264074 497531724 /nfs/dbraw/zinc/53/17/24/497531724.db2.gz XEDQEGNCEKFVGH-OAHLLOKOSA-N 1 2 360.454 3.294 20 30 FGEDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000276264074 497531727 /nfs/dbraw/zinc/53/17/27/497531727.db2.gz XEDQEGNCEKFVGH-OAHLLOKOSA-N 1 2 360.454 3.294 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccc(SC)cc2)n1 ZINC000279822655 497554102 /nfs/dbraw/zinc/55/41/02/497554102.db2.gz YTHQKEQOEWFVOU-HNNXBMFYSA-N 1 2 356.495 3.087 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccc(SC)cc2)n1 ZINC000279822655 497554107 /nfs/dbraw/zinc/55/41/07/497554107.db2.gz YTHQKEQOEWFVOU-HNNXBMFYSA-N 1 2 356.495 3.087 20 30 FGEDLO C=CCCN(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000276365664 497554845 /nfs/dbraw/zinc/55/48/45/497554845.db2.gz JNTIKAWPUWIXJR-UHFFFAOYSA-N 1 2 350.466 3.362 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279978596 497609127 /nfs/dbraw/zinc/60/91/27/497609127.db2.gz QOGOXUUMTXKZHS-UHFFFAOYSA-N 1 2 364.449 3.280 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000575098799 505920799 /nfs/dbraw/zinc/92/07/99/505920799.db2.gz ZEGLSLPMIWMTMI-SFHVURJKSA-N 1 2 356.429 3.489 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000575098799 505920803 /nfs/dbraw/zinc/92/08/03/505920803.db2.gz ZEGLSLPMIWMTMI-SFHVURJKSA-N 1 2 356.429 3.489 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272603383 497677412 /nfs/dbraw/zinc/67/74/12/497677412.db2.gz REJQUWHOKBMMMY-LBPRGKRZSA-N 1 2 350.260 3.402 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCn1cc[nH+]c1 ZINC000263649855 497805251 /nfs/dbraw/zinc/80/52/51/497805251.db2.gz AWEMJJCMBMKPOD-UHFFFAOYSA-N 1 2 366.234 3.390 20 30 FGEDLO O=C(N[C@H]1CNC(=O)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000329679185 497866162 /nfs/dbraw/zinc/86/61/62/497866162.db2.gz QTCKFKIVTOXGEL-UKRRQHHQSA-N 1 2 366.259 3.271 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329794919 497903093 /nfs/dbraw/zinc/90/30/93/497903093.db2.gz GIOPBPKPXILMGP-IPELMVKDSA-N 1 2 366.465 3.135 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000364360914 497920323 /nfs/dbraw/zinc/92/03/23/497920323.db2.gz JSIZQFONDRKNOT-SFHVURJKSA-N 1 2 357.885 3.436 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284848127 497922027 /nfs/dbraw/zinc/92/20/27/497922027.db2.gz RJNDGAMIBOMWAJ-XFJVYGCCSA-N 1 2 352.265 3.401 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284848127 497922032 /nfs/dbraw/zinc/92/20/32/497922032.db2.gz RJNDGAMIBOMWAJ-XFJVYGCCSA-N 1 2 352.265 3.401 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C12CCOCC2 ZINC000329904777 497946499 /nfs/dbraw/zinc/94/64/99/497946499.db2.gz JHBIIMQOPWFRCN-RBUKOAKNSA-N 1 2 369.465 3.460 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329966142 497973348 /nfs/dbraw/zinc/97/33/48/497973348.db2.gz RPDIVAVPAAVRGE-AWEZNQCLSA-N 1 2 361.515 3.042 20 30 FGEDLO Cc1ccn(-c2ccccc2NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000329972022 497975338 /nfs/dbraw/zinc/97/53/38/497975338.db2.gz XYFQDCVUNRIIMQ-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330012930 497990569 /nfs/dbraw/zinc/99/05/69/497990569.db2.gz LIXJYSMSGUKAES-HIFRSBDPSA-N 1 2 360.483 3.362 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000330041138 498001011 /nfs/dbraw/zinc/00/10/11/498001011.db2.gz GBWJNFZFRAGVQA-GFCCVEGCSA-N 1 2 356.455 3.096 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330081232 498013136 /nfs/dbraw/zinc/01/31/36/498013136.db2.gz ADQGUDUXRFXITP-BZSOYRFXSA-N 1 2 374.481 3.125 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330081232 498013141 /nfs/dbraw/zinc/01/31/41/498013141.db2.gz ADQGUDUXRFXITP-BZSOYRFXSA-N 1 2 374.481 3.125 20 30 FGEDLO C[C@@H]1[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOC1(C)C ZINC000330088390 498017167 /nfs/dbraw/zinc/01/71/67/498017167.db2.gz NZNVWYOARPNMGI-AWEZNQCLSA-N 1 2 359.470 3.109 20 30 FGEDLO C[C@@H]1[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOC1(C)C ZINC000330088390 498017172 /nfs/dbraw/zinc/01/71/72/498017172.db2.gz NZNVWYOARPNMGI-AWEZNQCLSA-N 1 2 359.470 3.109 20 30 FGEDLO O=C(N=c1nc(-c2ccccc2)[nH]s1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330100094 498022397 /nfs/dbraw/zinc/02/23/97/498022397.db2.gz DQEOHFJWGBDLKW-UHFFFAOYSA-N 1 2 371.510 3.360 20 30 FGEDLO N#Cc1cc(F)cc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)CC2)c1 ZINC000578556331 505967348 /nfs/dbraw/zinc/96/73/48/505967348.db2.gz UOGDWFHDKZDZOO-DLBZAZTESA-N 1 2 368.412 3.086 20 30 FGEDLO N#Cc1cc(F)cc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)CC2)c1 ZINC000578556331 505967349 /nfs/dbraw/zinc/96/73/49/505967349.db2.gz UOGDWFHDKZDZOO-DLBZAZTESA-N 1 2 368.412 3.086 20 30 FGEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ncccn2)C1)C1CCCC1 ZINC000330164127 498046197 /nfs/dbraw/zinc/04/61/97/498046197.db2.gz VTDVXWQXPMAIGM-HNNXBMFYSA-N 1 2 354.458 3.358 20 30 FGEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ncccn2)C1)C1CCCC1 ZINC000330164127 498046200 /nfs/dbraw/zinc/04/62/00/498046200.db2.gz VTDVXWQXPMAIGM-HNNXBMFYSA-N 1 2 354.458 3.358 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330206273 498061356 /nfs/dbraw/zinc/06/13/56/498061356.db2.gz DDFJMENCUOTYMX-LLVKDONJSA-N 1 2 368.462 3.244 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330206273 498061359 /nfs/dbraw/zinc/06/13/59/498061359.db2.gz DDFJMENCUOTYMX-LLVKDONJSA-N 1 2 368.462 3.244 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)O1 ZINC000296492587 498065687 /nfs/dbraw/zinc/06/56/87/498065687.db2.gz BFNWHHNAFKPCIS-VXNCWWDNSA-N 1 2 370.497 3.500 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330235100 498073048 /nfs/dbraw/zinc/07/30/48/498073048.db2.gz GTKKAFMSTKCXHK-NSHDSACASA-N 1 2 362.817 3.039 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000296520244 498078222 /nfs/dbraw/zinc/07/82/22/498078222.db2.gz OUQJKOAZLNEDAL-KYABYICQSA-N 1 2 362.424 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000296520244 498078224 /nfs/dbraw/zinc/07/82/24/498078224.db2.gz OUQJKOAZLNEDAL-KYABYICQSA-N 1 2 362.424 3.092 20 30 FGEDLO C[C@H]1C(=O)Nc2cc(C(=O)NCCc3cn4c([nH+]3)CCCC4)ccc2N1C ZINC000330255483 498082578 /nfs/dbraw/zinc/08/25/78/498082578.db2.gz JYADUTUOLOUPRG-ZDUSSCGKSA-N 1 2 367.453 3.193 20 30 FGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1COc2ccc(Br)cc21 ZINC000330300733 498097952 /nfs/dbraw/zinc/09/79/52/498097952.db2.gz IOJOKPUYHAHSJG-DGCLKSJQSA-N 1 2 362.227 3.093 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364728111 498116660 /nfs/dbraw/zinc/11/66/60/498116660.db2.gz JARHOTMFNBFIGE-KRWDZBQOSA-N 1 2 354.454 3.084 20 30 FGEDLO N#CC1(c2ccccc2)CC([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000364866552 498182239 /nfs/dbraw/zinc/18/22/39/498182239.db2.gz WWJPWZFXMDERHD-UHFFFAOYSA-N 1 2 359.433 3.097 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289542995 498186646 /nfs/dbraw/zinc/18/66/46/498186646.db2.gz MOAUBDZNJFLMGF-NVXWUHKLSA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289542995 498186652 /nfs/dbraw/zinc/18/66/52/498186652.db2.gz MOAUBDZNJFLMGF-NVXWUHKLSA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1cc(NC(=O)NCC(=O)NC(C)(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330773760 498191736 /nfs/dbraw/zinc/19/17/36/498191736.db2.gz FWTKSFKXXKQONL-CQSZACIVSA-N 1 2 361.490 3.009 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(Br)o2)CC1 ZINC000364950138 498224858 /nfs/dbraw/zinc/22/48/58/498224858.db2.gz LAJRSUWNCPVJBK-UHFFFAOYSA-N 1 2 361.243 3.021 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(Br)o2)CC1 ZINC000364950138 498224862 /nfs/dbraw/zinc/22/48/62/498224862.db2.gz LAJRSUWNCPVJBK-UHFFFAOYSA-N 1 2 361.243 3.021 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360036145 498236466 /nfs/dbraw/zinc/23/64/66/498236466.db2.gz LVQDGHAFQCBTHS-NVXWUHKLSA-N 1 2 354.454 3.363 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360036145 498236469 /nfs/dbraw/zinc/23/64/69/498236469.db2.gz LVQDGHAFQCBTHS-NVXWUHKLSA-N 1 2 354.454 3.363 20 30 FGEDLO C#CCn1cnc(-c2ccccc2)c1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000365080852 498287070 /nfs/dbraw/zinc/28/70/70/498287070.db2.gz DZBXFMUTQPYPHL-UHFFFAOYSA-N 1 2 369.428 3.480 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000297026683 498292975 /nfs/dbraw/zinc/29/29/75/498292975.db2.gz HDDPRRSWRVPPIC-SQGPQFPESA-N 1 2 359.420 3.300 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000297026683 498292985 /nfs/dbraw/zinc/29/29/85/498292985.db2.gz HDDPRRSWRVPPIC-SQGPQFPESA-N 1 2 359.420 3.300 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ncccc2OCCCC#N)CC1(C)C ZINC000297034919 498296834 /nfs/dbraw/zinc/29/68/34/498296834.db2.gz WXBDVOMLGPOIPK-OAHLLOKOSA-N 1 2 368.441 3.113 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000365229471 498361446 /nfs/dbraw/zinc/36/14/46/498361446.db2.gz UBEGWRIUIKYKFY-UHFFFAOYSA-N 1 2 366.465 3.115 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000361614089 498412355 /nfs/dbraw/zinc/41/23/55/498412355.db2.gz WUZQQAUCODYDPB-UHFFFAOYSA-N 1 2 351.454 3.385 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000365488106 498492983 /nfs/dbraw/zinc/49/29/83/498492983.db2.gz DAUMJXIKUTXIFU-YLJYHZDGSA-N 1 2 358.449 3.024 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c(F)c1 ZINC000576008629 506054662 /nfs/dbraw/zinc/05/46/62/506054662.db2.gz IZYRHLLKBDNAIO-UHFFFAOYSA-N 1 2 353.401 3.109 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c(F)c1 ZINC000576008629 506054666 /nfs/dbraw/zinc/05/46/66/506054666.db2.gz IZYRHLLKBDNAIO-UHFFFAOYSA-N 1 2 353.401 3.109 20 30 FGEDLO N#Cc1c(Br)cccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290466068 498563208 /nfs/dbraw/zinc/56/32/08/498563208.db2.gz GCFZHQHMSGMMBW-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO N#CC1CCC(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000282579631 498566870 /nfs/dbraw/zinc/56/68/70/498566870.db2.gz DPHCQSFQHIPYGT-TVPLGVNVSA-N 1 2 357.523 3.223 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000286975777 498575833 /nfs/dbraw/zinc/57/58/33/498575833.db2.gz PQDGEPNHECTVGO-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000286975777 498575825 /nfs/dbraw/zinc/57/58/25/498575825.db2.gz PQDGEPNHECTVGO-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(C)CO ZINC000298002579 498633994 /nfs/dbraw/zinc/63/39/94/498633994.db2.gz ZSUFACGXKDLEGY-MRXNPFEDSA-N 1 2 369.469 3.103 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3cccc(F)c3F)CC2)cn2ccccc12 ZINC000572873569 506073023 /nfs/dbraw/zinc/07/30/23/506073023.db2.gz WMDODPGFDJPBEC-UHFFFAOYSA-N 1 2 352.388 3.411 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000303582457 498694434 /nfs/dbraw/zinc/69/44/34/498694434.db2.gz FCPJSOCANDPGMG-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000303582457 498694441 /nfs/dbraw/zinc/69/44/41/498694441.db2.gz FCPJSOCANDPGMG-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO Cc1nc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)sc1SCC#N ZINC000363394131 498797900 /nfs/dbraw/zinc/79/79/00/498797900.db2.gz WTCSWKSRLKIHSH-ZDUSSCGKSA-N 1 2 373.507 3.317 20 30 FGEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000283175624 498807050 /nfs/dbraw/zinc/80/70/50/498807050.db2.gz GCOGYHLRCUYKGH-AWEZNQCLSA-N 1 2 358.515 3.071 20 30 FGEDLO CN(c1nc(C(F)(F)F)ccc1C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363424696 498815650 /nfs/dbraw/zinc/81/56/50/498815650.db2.gz UIQKJJRCPCOBHH-UHFFFAOYSA-N 1 2 361.371 3.472 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC000298599321 498825817 /nfs/dbraw/zinc/82/58/17/498825817.db2.gz DVACZJNAKHLKMG-UHFFFAOYSA-N 1 2 363.465 3.189 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 ZINC000328656041 498891549 /nfs/dbraw/zinc/89/15/49/498891549.db2.gz ZABZQXBYPOBURV-CQSZACIVSA-N 1 2 372.519 3.203 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 ZINC000328656041 498891556 /nfs/dbraw/zinc/89/15/56/498891556.db2.gz ZABZQXBYPOBURV-CQSZACIVSA-N 1 2 372.519 3.203 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000570178116 506108917 /nfs/dbraw/zinc/10/89/17/506108917.db2.gz CVECFIDZRKNQSA-HXUWFJFHSA-N 1 2 374.488 3.133 20 30 FGEDLO Cc1cc([C@H]2CCCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C2)[nH]n1 ZINC000328773280 498933788 /nfs/dbraw/zinc/93/37/88/498933788.db2.gz DQAGRBQJAXGMIZ-ZDUSSCGKSA-N 1 2 372.860 3.313 20 30 FGEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328796973 498942031 /nfs/dbraw/zinc/94/20/31/498942031.db2.gz VJJFRWKBKWRZFE-DFQSSKMNSA-N 1 2 351.450 3.388 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCCC13CCOCC3)C2 ZINC000328827215 498951961 /nfs/dbraw/zinc/95/19/61/498951961.db2.gz QMKZNQFVMUDCGH-HOTGVXAUSA-N 1 2 374.529 3.348 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCCC13CCOCC3)C2 ZINC000328827215 498951969 /nfs/dbraw/zinc/95/19/69/498951969.db2.gz QMKZNQFVMUDCGH-HOTGVXAUSA-N 1 2 374.529 3.348 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000328831050 498954184 /nfs/dbraw/zinc/95/41/84/498954184.db2.gz KUWUBRPGABRHDO-JXGFJMEGSA-N 1 2 362.514 3.180 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000328831050 498954191 /nfs/dbraw/zinc/95/41/91/498954191.db2.gz KUWUBRPGABRHDO-JXGFJMEGSA-N 1 2 362.514 3.180 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnc(OCC3CC3)cn1)C2 ZINC000328835944 498955423 /nfs/dbraw/zinc/95/54/23/498955423.db2.gz MPPPAOHHOCAHBI-CQSZACIVSA-N 1 2 369.469 3.079 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)CCC2 ZINC000328845027 498959515 /nfs/dbraw/zinc/95/95/15/498959515.db2.gz VGWDSLIBVNQBJQ-JKSUJKDBSA-N 1 2 360.502 3.310 20 30 FGEDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328845513 498959568 /nfs/dbraw/zinc/95/95/68/498959568.db2.gz VICYDPYHDLEUSH-UAGQMJEPSA-N 1 2 360.502 3.310 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1cccs1 ZINC000283783077 498981625 /nfs/dbraw/zinc/98/16/25/498981625.db2.gz DNMRLFZZHRSOHO-CYBMUJFWSA-N 1 2 350.513 3.005 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1cccs1 ZINC000283783077 498981634 /nfs/dbraw/zinc/98/16/34/498981634.db2.gz DNMRLFZZHRSOHO-CYBMUJFWSA-N 1 2 350.513 3.005 20 30 FGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959452 498998615 /nfs/dbraw/zinc/99/86/15/498998615.db2.gz OZVHLFHHDAGNCX-HIFRSBDPSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959452 498998619 /nfs/dbraw/zinc/99/86/19/498998619.db2.gz OZVHLFHHDAGNCX-HIFRSBDPSA-N 1 2 361.442 3.167 20 30 FGEDLO N#Cc1c(NC(=O)CN2CCn3cc[nH+]c3C2)sc2c1CCCCC2 ZINC000328974110 499003306 /nfs/dbraw/zinc/00/33/06/499003306.db2.gz AVRSMDPHNYZXCU-UHFFFAOYSA-N 1 2 355.467 3.189 20 30 FGEDLO Cc1cc(C)cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329058475 499029757 /nfs/dbraw/zinc/02/97/57/499029757.db2.gz YLTRWDFLYKVMDB-YLJYHZDGSA-N 1 2 366.465 3.236 20 30 FGEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1OC ZINC000299411498 499050857 /nfs/dbraw/zinc/05/08/57/499050857.db2.gz PABQEHXLOAGZFT-UHFFFAOYSA-N 1 2 359.451 3.098 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1OC ZINC000299411498 499050860 /nfs/dbraw/zinc/05/08/60/499050860.db2.gz PABQEHXLOAGZFT-UHFFFAOYSA-N 1 2 359.451 3.098 20 30 FGEDLO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ncccc4C#N)CC3)o2)c1 ZINC000363917599 499052305 /nfs/dbraw/zinc/05/23/05/499052305.db2.gz LXJZYVSRUBVYEW-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329232600 499079750 /nfs/dbraw/zinc/07/97/50/499079750.db2.gz LJXIPGCCEIYQRJ-UHFFFAOYSA-N 1 2 373.541 3.245 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329232600 499079752 /nfs/dbraw/zinc/07/97/52/499079752.db2.gz LJXIPGCCEIYQRJ-UHFFFAOYSA-N 1 2 373.541 3.245 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCOC4(CCSCC4)C3)cn21 ZINC000329235774 499081007 /nfs/dbraw/zinc/08/10/07/499081007.db2.gz IXBDLCKJMLTRSY-OAHLLOKOSA-N 1 2 374.510 3.091 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)C2 ZINC000329252045 499083741 /nfs/dbraw/zinc/08/37/41/499083741.db2.gz YJROMDIVTTTXHV-QGZVFWFLSA-N 1 2 362.477 3.481 20 30 FGEDLO C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329251875 499083909 /nfs/dbraw/zinc/08/39/09/499083909.db2.gz BRTGPEFGBWVBNG-STQMWFEESA-N 1 2 374.510 3.332 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Br)c1 ZINC000284325099 499089428 /nfs/dbraw/zinc/08/94/28/499089428.db2.gz KGSGNXLIBALFHG-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO CC(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2cccnc2)no1 ZINC000366927246 499117453 /nfs/dbraw/zinc/11/74/53/499117453.db2.gz WSJBYOPTHXPIAP-SFHVURJKSA-N 1 2 373.420 3.138 20 30 FGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000329420946 499118045 /nfs/dbraw/zinc/11/80/45/499118045.db2.gz DOTLXGYYTNMBQX-UHFFFAOYSA-N 1 2 371.510 3.170 20 30 FGEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000329420946 499118046 /nfs/dbraw/zinc/11/80/46/499118046.db2.gz DOTLXGYYTNMBQX-UHFFFAOYSA-N 1 2 371.510 3.170 20 30 FGEDLO CCC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOCC1 ZINC000329431684 499121039 /nfs/dbraw/zinc/12/10/39/499121039.db2.gz KJYXPPZGRMKRQH-UHFFFAOYSA-N 1 2 358.442 3.194 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1[C@@H]1CCCO1)C2 ZINC000329461359 499124693 /nfs/dbraw/zinc/12/46/93/499124693.db2.gz SPPJZTGNHMHVTO-XHSDSOJGSA-N 1 2 360.502 3.053 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)NC(=O)NCc1cccs1 ZINC000329461185 499124806 /nfs/dbraw/zinc/12/48/06/499124806.db2.gz SHWBCPKOSFBKSI-INIZCTEOSA-N 1 2 365.499 3.400 20 30 FGEDLO O=C(C[N@H+]1CCO[C@H](C2CCCCC2)C1)NC(=O)NCc1cccs1 ZINC000329461185 499124807 /nfs/dbraw/zinc/12/48/07/499124807.db2.gz SHWBCPKOSFBKSI-INIZCTEOSA-N 1 2 365.499 3.400 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2CCCC[C@H]2C1)C1CCOCC1 ZINC000329511814 499128674 /nfs/dbraw/zinc/12/86/74/499128674.db2.gz XRDLQPJOZZWPCL-OKZBNKHCSA-N 1 2 360.502 3.407 20 30 FGEDLO CC(=O)N1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000329520715 499129135 /nfs/dbraw/zinc/12/91/35/499129135.db2.gz FMIQDRCXQYPOFI-AZUAARDMSA-N 1 2 371.481 3.084 20 30 FGEDLO CC(=O)N1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c2ccccc21 ZINC000329520715 499129136 /nfs/dbraw/zinc/12/91/36/499129136.db2.gz FMIQDRCXQYPOFI-AZUAARDMSA-N 1 2 371.481 3.084 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000369810620 499132633 /nfs/dbraw/zinc/13/26/33/499132633.db2.gz YEJQIZMNEATMNG-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000369810620 499132635 /nfs/dbraw/zinc/13/26/35/499132635.db2.gz YEJQIZMNEATMNG-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO CCc1nccc([C@@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237184 499200635 /nfs/dbraw/zinc/20/06/35/499200635.db2.gz UIZPIOXOCJQHGZ-YLJYHZDGSA-N 1 2 364.449 3.004 20 30 FGEDLO CCc1nccc([C@@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237184 499200637 /nfs/dbraw/zinc/20/06/37/499200637.db2.gz UIZPIOXOCJQHGZ-YLJYHZDGSA-N 1 2 364.449 3.004 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000368203079 499274015 /nfs/dbraw/zinc/27/40/15/499274015.db2.gz SKEIFZBWKUBBFA-OAHLLOKOSA-N 1 2 360.417 3.180 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368465628 499298635 /nfs/dbraw/zinc/29/86/35/499298635.db2.gz MDUNVTDQIRDYRP-FQEVSTJZSA-N 1 2 366.465 3.153 20 30 FGEDLO Cc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc(-c2ccncc2)[nH+]1 ZINC000371277353 499305062 /nfs/dbraw/zinc/30/50/62/499305062.db2.gz JPGWLHGLWRJZGD-IBGZPJMESA-N 1 2 357.417 3.297 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CCO2)c1 ZINC000371293794 499306764 /nfs/dbraw/zinc/30/67/64/499306764.db2.gz XPZKWIQRAHEYSU-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3F)CCO2)c1 ZINC000371293794 499306765 /nfs/dbraw/zinc/30/67/65/499306765.db2.gz XPZKWIQRAHEYSU-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO Cc1cnc([C@@H]2CCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)s1 ZINC000371340595 499312858 /nfs/dbraw/zinc/31/28/58/499312858.db2.gz GMOMIZJNRAYZCU-KRWDZBQOSA-N 1 2 354.479 3.167 20 30 FGEDLO Cc1cnc([C@@H]2CCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)s1 ZINC000371340595 499312859 /nfs/dbraw/zinc/31/28/59/499312859.db2.gz GMOMIZJNRAYZCU-KRWDZBQOSA-N 1 2 354.479 3.167 20 30 FGEDLO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371461333 499330174 /nfs/dbraw/zinc/33/01/74/499330174.db2.gz XFEXDFZRIMKGMT-LAOKGPNQSA-N 1 2 359.429 3.054 20 30 FGEDLO COc1ccccc1/C=C/C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371461333 499330175 /nfs/dbraw/zinc/33/01/75/499330175.db2.gz XFEXDFZRIMKGMT-LAOKGPNQSA-N 1 2 359.429 3.054 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000368915356 499346021 /nfs/dbraw/zinc/34/60/21/499346021.db2.gz ZVFDAQCPZLFTKJ-WMZOPIPTSA-N 1 2 355.463 3.146 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000368915356 499346023 /nfs/dbraw/zinc/34/60/23/499346023.db2.gz ZVFDAQCPZLFTKJ-WMZOPIPTSA-N 1 2 355.463 3.146 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)no1 ZINC000368999049 499355107 /nfs/dbraw/zinc/35/51/07/499355107.db2.gz GDJLQAAQUSVHSC-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C#N)no1 ZINC000368999049 499355108 /nfs/dbraw/zinc/35/51/08/499355108.db2.gz GDJLQAAQUSVHSC-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000371693954 499355854 /nfs/dbraw/zinc/35/58/54/499355854.db2.gz QEUMDTYRQKNAMA-KRWDZBQOSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000371693954 499355855 /nfs/dbraw/zinc/35/58/55/499355855.db2.gz QEUMDTYRQKNAMA-KRWDZBQOSA-N 1 2 351.454 3.092 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371696640 499356297 /nfs/dbraw/zinc/35/62/97/499356297.db2.gz ORJSVGPTBKNGDI-PJSAGSTRSA-N 1 2 362.424 3.044 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371696640 499356299 /nfs/dbraw/zinc/35/62/99/499356299.db2.gz ORJSVGPTBKNGDI-PJSAGSTRSA-N 1 2 362.424 3.044 20 30 FGEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007395 499389220 /nfs/dbraw/zinc/38/92/20/499389220.db2.gz VFWBQLZZRXKFFH-PMACEKPBSA-N 1 2 362.408 3.242 20 30 FGEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007395 499389221 /nfs/dbraw/zinc/38/92/21/499389221.db2.gz VFWBQLZZRXKFFH-PMACEKPBSA-N 1 2 362.408 3.242 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)no1 ZINC000372046780 499392620 /nfs/dbraw/zinc/39/26/20/499392620.db2.gz NGPCIEXLQCHZLA-HNNXBMFYSA-N 1 2 350.422 3.361 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000369545106 499415354 /nfs/dbraw/zinc/41/53/54/499415354.db2.gz CTUWSJZRZZCYHW-DOTOQJQBSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000369545106 499415356 /nfs/dbraw/zinc/41/53/56/499415356.db2.gz CTUWSJZRZZCYHW-DOTOQJQBSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCCOC2)O1 ZINC000369556500 499417276 /nfs/dbraw/zinc/41/72/76/499417276.db2.gz MSXRGBIUTNJOSH-CXAGYDPISA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCCOC2)O1 ZINC000369556500 499417278 /nfs/dbraw/zinc/41/72/78/499417278.db2.gz MSXRGBIUTNJOSH-CXAGYDPISA-N 1 2 365.271 3.091 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107379 499451765 /nfs/dbraw/zinc/45/17/65/499451765.db2.gz RYOIVIUBTVDTSQ-YOEHRIQHSA-N 1 2 365.355 3.348 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107379 499451766 /nfs/dbraw/zinc/45/17/66/499451766.db2.gz RYOIVIUBTVDTSQ-YOEHRIQHSA-N 1 2 365.355 3.348 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cs1 ZINC000373355583 499465144 /nfs/dbraw/zinc/46/51/44/499465144.db2.gz VWDZGBHDCOPVTB-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cs1 ZINC000373355583 499465145 /nfs/dbraw/zinc/46/51/45/499465145.db2.gz VWDZGBHDCOPVTB-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000373403410 499467688 /nfs/dbraw/zinc/46/76/88/499467688.db2.gz HHJXVEPHDMPCHU-INIZCTEOSA-N 1 2 373.453 3.379 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000373403410 499467689 /nfs/dbraw/zinc/46/76/89/499467689.db2.gz HHJXVEPHDMPCHU-INIZCTEOSA-N 1 2 373.453 3.379 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccco1)CCC2 ZINC000375794187 499556198 /nfs/dbraw/zinc/55/61/98/499556198.db2.gz PHEITHHFWAGXDC-HNNXBMFYSA-N 1 2 371.462 3.104 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccco1)CCC2 ZINC000375794187 499556200 /nfs/dbraw/zinc/55/62/00/499556200.db2.gz PHEITHHFWAGXDC-HNNXBMFYSA-N 1 2 371.462 3.104 20 30 FGEDLO N#CCc1cccc(C(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000375809182 499557725 /nfs/dbraw/zinc/55/77/25/499557725.db2.gz HONHXGNQZSXVBZ-UHFFFAOYSA-N 1 2 373.460 3.023 20 30 FGEDLO CCCCCCCOc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC000376458219 499610158 /nfs/dbraw/zinc/61/01/58/499610158.db2.gz PJMIUOVJWBXMMU-UHFFFAOYSA-N 1 2 358.486 3.447 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377035975 499655698 /nfs/dbraw/zinc/65/56/98/499655698.db2.gz VXJDIHDVXPAVJR-MRXNPFEDSA-N 1 2 357.502 3.438 20 30 FGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@@]12CCCCO2 ZINC000377119553 499663995 /nfs/dbraw/zinc/66/39/95/499663995.db2.gz JYHDXVCYSCJYKW-VCOUNFBDSA-N 1 2 367.493 3.076 20 30 FGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@@]12CCCCO2 ZINC000377119553 499663996 /nfs/dbraw/zinc/66/39/96/499663996.db2.gz JYHDXVCYSCJYKW-VCOUNFBDSA-N 1 2 367.493 3.076 20 30 FGEDLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3Cl)C2)ccc1C#N ZINC000377125124 499664203 /nfs/dbraw/zinc/66/42/03/499664203.db2.gz BLRUSTOBFUSCST-GOSISDBHSA-N 1 2 354.841 3.044 20 30 FGEDLO Cc1nc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3Cl)C2)ccc1C#N ZINC000377125124 499664204 /nfs/dbraw/zinc/66/42/04/499664204.db2.gz BLRUSTOBFUSCST-GOSISDBHSA-N 1 2 354.841 3.044 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000377329573 499680465 /nfs/dbraw/zinc/68/04/65/499680465.db2.gz IIEDWRSIQBLEHT-RHSMWYFYSA-N 1 2 357.417 3.212 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000377768945 499730870 /nfs/dbraw/zinc/73/08/70/499730870.db2.gz LCQXMAZPWDVQQE-SFHVURJKSA-N 1 2 365.481 3.284 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000377768945 499730871 /nfs/dbraw/zinc/73/08/71/499730871.db2.gz LCQXMAZPWDVQQE-SFHVURJKSA-N 1 2 365.481 3.284 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000576437739 506157867 /nfs/dbraw/zinc/15/78/67/506157867.db2.gz GQSPYTUOFGSNGH-UHFFFAOYSA-N 1 2 361.445 3.355 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378062621 499756706 /nfs/dbraw/zinc/75/67/06/499756706.db2.gz UZQOONSMMZUNAX-MRXNPFEDSA-N 1 2 352.394 3.037 20 30 FGEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000416023428 499942050 /nfs/dbraw/zinc/94/20/50/499942050.db2.gz RYTIFVWSGQINSW-HXUWFJFHSA-N 1 2 363.486 3.237 20 30 FGEDLO Cc1cnc([C@@H](C)[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000428973993 499971830 /nfs/dbraw/zinc/97/18/30/499971830.db2.gz ZASWQDABJXNKDR-DNVCBOLYSA-N 1 2 355.873 3.382 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429035210 499990583 /nfs/dbraw/zinc/99/05/83/499990583.db2.gz LJBVJIDXXXPFDO-INIZCTEOSA-N 1 2 367.193 3.422 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000413577481 499995384 /nfs/dbraw/zinc/99/53/84/499995384.db2.gz NAWCLXRKHNZZJM-MOPGFXCFSA-N 1 2 352.482 3.285 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000413577481 499995386 /nfs/dbraw/zinc/99/53/86/499995386.db2.gz NAWCLXRKHNZZJM-MOPGFXCFSA-N 1 2 352.482 3.285 20 30 FGEDLO Cc1[nH+]c[nH]c1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425091925 500017489 /nfs/dbraw/zinc/01/74/89/500017489.db2.gz YOIJNEAUOQJYMT-LLVKDONJSA-N 1 2 350.344 3.220 20 30 FGEDLO COc1cc(CNc2cc(C)[nH+]cc2C#N)ccc1OCC(F)(F)F ZINC000425202706 500042971 /nfs/dbraw/zinc/04/29/71/500042971.db2.gz CJFQCEWDZSCRHR-UHFFFAOYSA-N 1 2 351.328 3.245 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000413991488 500118038 /nfs/dbraw/zinc/11/80/38/500118038.db2.gz VZYRXQOBUFPTDC-OAQYLSRUSA-N 1 2 364.489 3.436 20 30 FGEDLO C[C@@H](C#N)N(CC[N@@H+]1CCO[C@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425536026 500135814 /nfs/dbraw/zinc/13/58/14/500135814.db2.gz NZXRWZIRZABIDM-LSDHHAIUSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@@H](C#N)N(CC[N@H+]1CCO[C@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425536026 500135817 /nfs/dbraw/zinc/13/58/17/500135817.db2.gz NZXRWZIRZABIDM-LSDHHAIUSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@H](C#N)N(CC[N@@H+]1CCOC[C@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539249 500138151 /nfs/dbraw/zinc/13/81/51/500138151.db2.gz TVNFSLFKPLPOMT-HUUCEWRRSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@H](C#N)N(CC[N@H+]1CCOC[C@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539249 500138154 /nfs/dbraw/zinc/13/81/54/500138154.db2.gz TVNFSLFKPLPOMT-HUUCEWRRSA-N 1 2 355.404 3.140 20 30 FGEDLO Cc1nc(SC[C@H](O)C[N@H+](C)CCC#N)n(C2CCCCC2)c1C ZINC000414099309 500153686 /nfs/dbraw/zinc/15/36/86/500153686.db2.gz QDDUDMYMCGGSIU-QGZVFWFLSA-N 1 2 350.532 3.304 20 30 FGEDLO Cc1nc(SC[C@H](O)C[N@@H+](C)CCC#N)n(C2CCCCC2)c1C ZINC000414099309 500153690 /nfs/dbraw/zinc/15/36/90/500153690.db2.gz QDDUDMYMCGGSIU-QGZVFWFLSA-N 1 2 350.532 3.304 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430340086 500228177 /nfs/dbraw/zinc/22/81/77/500228177.db2.gz FLJFOMGHNVYHHL-UHFFFAOYSA-N 1 2 371.444 3.032 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1 ZINC000430340086 500228181 /nfs/dbraw/zinc/22/81/81/500228181.db2.gz FLJFOMGHNVYHHL-UHFFFAOYSA-N 1 2 371.444 3.032 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C\c3ccccc3F)CC2)cc1 ZINC000426068879 500232761 /nfs/dbraw/zinc/23/27/61/500232761.db2.gz ZUWGHCROGCRQNP-HYXAFXHYSA-N 1 2 363.436 3.445 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000426381054 500266927 /nfs/dbraw/zinc/26/69/27/500266927.db2.gz UYHICZZSTVEJJL-UHFFFAOYSA-N 1 2 365.424 3.331 20 30 FGEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000430878893 500301010 /nfs/dbraw/zinc/30/10/10/500301010.db2.gz PZZAYQLTMCNDOV-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000419373627 500358435 /nfs/dbraw/zinc/35/84/35/500358435.db2.gz OMVORAHPPDPNHT-PMACEKPBSA-N 1 2 352.409 3.449 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(OC(F)F)c1 ZINC000431600837 500396934 /nfs/dbraw/zinc/39/69/34/500396934.db2.gz AYUQDXQKRGDTSR-UHFFFAOYSA-N 1 2 359.376 3.187 20 30 FGEDLO C=CCN1C(=O)N([C@@H](C)c2[nH+]ccn2CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000420023060 500415224 /nfs/dbraw/zinc/41/52/24/500415224.db2.gz WVHJTNBDYXDYFM-RDJZCZTQSA-N 1 2 352.438 3.026 20 30 FGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427776617 500430751 /nfs/dbraw/zinc/43/07/51/500430751.db2.gz FHDWBLIRQAMUQJ-UHFFFAOYSA-N 1 2 359.426 3.222 20 30 FGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427776617 500430752 /nfs/dbraw/zinc/43/07/52/500430752.db2.gz FHDWBLIRQAMUQJ-UHFFFAOYSA-N 1 2 359.426 3.222 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428356872 500499602 /nfs/dbraw/zinc/49/96/02/500499602.db2.gz BNSNVLIOGDDFOY-MRXNPFEDSA-N 1 2 358.401 3.292 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000428384295 500503492 /nfs/dbraw/zinc/50/34/92/500503492.db2.gz BYZRBAHLFGBNGH-UHFFFAOYSA-N 1 2 358.461 3.294 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1c(F)cccc1F ZINC000420806977 500506242 /nfs/dbraw/zinc/50/62/42/500506242.db2.gz QEXZSBVBZXEYKO-OAHLLOKOSA-N 1 2 364.421 3.000 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCOCC1 ZINC000424586908 500522598 /nfs/dbraw/zinc/52/25/98/500522598.db2.gz GFUGWKYJYQVDBT-UHFFFAOYSA-N 1 2 357.498 3.307 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420890334 500523150 /nfs/dbraw/zinc/52/31/50/500523150.db2.gz QJLLVYLCGAOBDZ-ZDUSSCGKSA-N 1 2 360.508 3.270 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@](=O)C1 ZINC000433021419 500608018 /nfs/dbraw/zinc/60/80/18/500608018.db2.gz GLGLXCCAHHRZCK-QLXKLKPCSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@](=O)C1 ZINC000433021419 500608020 /nfs/dbraw/zinc/60/80/20/500608020.db2.gz GLGLXCCAHHRZCK-QLXKLKPCSA-N 1 2 368.502 3.338 20 30 FGEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437160269 500608511 /nfs/dbraw/zinc/60/85/11/500608511.db2.gz QCXZSNGHBJWFPH-UHFFFAOYSA-N 1 2 362.376 3.163 20 30 FGEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437160269 500608513 /nfs/dbraw/zinc/60/85/13/500608513.db2.gz QCXZSNGHBJWFPH-UHFFFAOYSA-N 1 2 362.376 3.163 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1Cl ZINC000576675548 506208781 /nfs/dbraw/zinc/20/87/81/506208781.db2.gz QRLXIKBQUNPJAR-UHFFFAOYSA-N 1 2 368.868 3.494 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433293529 500663196 /nfs/dbraw/zinc/66/31/96/500663196.db2.gz FUNAUCSPIYKAAI-CYBMUJFWSA-N 1 2 366.303 3.278 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433293529 500663198 /nfs/dbraw/zinc/66/31/98/500663198.db2.gz FUNAUCSPIYKAAI-CYBMUJFWSA-N 1 2 366.303 3.278 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433321103 500671643 /nfs/dbraw/zinc/67/16/43/500671643.db2.gz WVNAJIVBKNZYHB-QGZVFWFLSA-N 1 2 374.893 3.475 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433321103 500671644 /nfs/dbraw/zinc/67/16/44/500671644.db2.gz WVNAJIVBKNZYHB-QGZVFWFLSA-N 1 2 374.893 3.475 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000437637141 500673487 /nfs/dbraw/zinc/67/34/87/500673487.db2.gz PNNYXJYLPZKBPI-QUCCMNQESA-N 1 2 372.513 3.242 20 30 FGEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCO1 ZINC000447835166 500673947 /nfs/dbraw/zinc/67/39/47/500673947.db2.gz MUQIZRHCEQOKLC-HXUWFJFHSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCO1 ZINC000447835166 500673949 /nfs/dbraw/zinc/67/39/49/500673949.db2.gz MUQIZRHCEQOKLC-HXUWFJFHSA-N 1 2 353.466 3.485 20 30 FGEDLO C=CCN(Cc1cccc2[nH+]ccn21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438274442 500761480 /nfs/dbraw/zinc/76/14/80/500761480.db2.gz AZZGLOQORXYYES-HXUWFJFHSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000439356201 500888516 /nfs/dbraw/zinc/88/85/16/500888516.db2.gz KROSBCNYXKBLOY-UHFFFAOYSA-N 1 2 352.438 3.309 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(Cl)c1 ZINC000439444080 500897645 /nfs/dbraw/zinc/89/76/45/500897645.db2.gz AWERDEGBUIOKGF-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccccc1C ZINC000434803036 500897890 /nfs/dbraw/zinc/89/78/90/500897890.db2.gz OEJVAMSQCBHEOJ-HXUWFJFHSA-N 1 2 352.434 3.482 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccccc1C ZINC000434803036 500897893 /nfs/dbraw/zinc/89/78/93/500897893.db2.gz OEJVAMSQCBHEOJ-HXUWFJFHSA-N 1 2 352.434 3.482 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000435068636 500930412 /nfs/dbraw/zinc/93/04/12/500930412.db2.gz WEWPENDHFBVJLJ-YLJYHZDGSA-N 1 2 352.409 3.476 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000435068636 500930414 /nfs/dbraw/zinc/93/04/14/500930414.db2.gz WEWPENDHFBVJLJ-YLJYHZDGSA-N 1 2 352.409 3.476 20 30 FGEDLO C=CCNC(=O)Cc1noc(-c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)n1 ZINC000445335948 500974817 /nfs/dbraw/zinc/97/48/17/500974817.db2.gz VYJUPVKQEVOBOM-UHFFFAOYSA-N 1 2 370.796 3.422 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000449406184 500995961 /nfs/dbraw/zinc/99/59/61/500995961.db2.gz ULWQNUFPJMUSAF-UHFFFAOYSA-N 1 2 359.433 3.423 20 30 FGEDLO CCOc1ccccc1OCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000440628970 501031259 /nfs/dbraw/zinc/03/12/59/501031259.db2.gz XEXYTGLQCWEXAO-FQEVSTJZSA-N 1 2 365.477 3.347 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000441005104 501073664 /nfs/dbraw/zinc/07/36/64/501073664.db2.gz YQABJJGOOQHFAB-UHFFFAOYSA-N 1 2 374.916 3.497 20 30 FGEDLO CCOc1ccnc(N2CCC[N@H+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000441179687 501099403 /nfs/dbraw/zinc/09/94/03/501099403.db2.gz VHZFTYFKMTUNLE-UHFFFAOYSA-N 1 2 370.884 3.093 20 30 FGEDLO CCOc1ccnc(N2CCC[N@@H+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000441179687 501099405 /nfs/dbraw/zinc/09/94/05/501099405.db2.gz VHZFTYFKMTUNLE-UHFFFAOYSA-N 1 2 370.884 3.093 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000449952477 501135719 /nfs/dbraw/zinc/13/57/19/501135719.db2.gz OBGWBERCGPHTSD-GOSISDBHSA-N 1 2 372.419 3.084 20 30 FGEDLO N#CC[C@@H]1CC[C@H](Nc2nc(N[C@H]3CC[C@@H](CC#N)C3)c3ccccc3[nH+]2)C1 ZINC000450671858 501183520 /nfs/dbraw/zinc/18/35/20/501183520.db2.gz IZTRNPVNGISJJQ-XSLAGTTESA-N 1 2 374.492 3.462 20 30 FGEDLO N#Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000450259261 501220953 /nfs/dbraw/zinc/22/09/53/501220953.db2.gz FCHHGJRVRBRSHM-UHFFFAOYSA-N 1 2 372.270 3.135 20 30 FGEDLO C=C(C)C[N@@H+](Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccccc1 ZINC000450887448 501224443 /nfs/dbraw/zinc/22/44/43/501224443.db2.gz IZJHATWZINTHSP-UHFFFAOYSA-N 1 2 351.410 3.114 20 30 FGEDLO C=C(C)C[N@H+](Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccccc1 ZINC000450887448 501224445 /nfs/dbraw/zinc/22/44/45/501224445.db2.gz IZJHATWZINTHSP-UHFFFAOYSA-N 1 2 351.410 3.114 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(Br)cc1C#N)CCC2 ZINC000450312353 501231503 /nfs/dbraw/zinc/23/15/03/501231503.db2.gz LJHCFIKNROZCNC-LBPRGKRZSA-N 1 2 373.254 3.133 20 30 FGEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000455703479 501368718 /nfs/dbraw/zinc/36/87/18/501368718.db2.gz MPDRRBKLXUQXJC-CQSZACIVSA-N 1 2 355.829 3.201 20 30 FGEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1Cl ZINC000455773148 501383045 /nfs/dbraw/zinc/38/30/45/501383045.db2.gz BRBLSHUFCSOMIY-UHFFFAOYSA-N 1 2 373.819 3.095 20 30 FGEDLO CCO[C@@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@@H](OCC)C3)c2C#N)C1 ZINC000596087587 506250352 /nfs/dbraw/zinc/25/03/52/506250352.db2.gz IFSIWFFRQWJNAH-QZTJIDSGSA-N 1 2 372.513 3.272 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)c1 ZINC000455958778 501426287 /nfs/dbraw/zinc/42/62/87/501426287.db2.gz SQPSGYRMCHDAID-KRWDZBQOSA-N 1 2 365.437 3.013 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458498976 501459657 /nfs/dbraw/zinc/45/96/57/501459657.db2.gz IGHVNZQXTDWYDX-HZPDHXFCSA-N 1 2 365.543 3.411 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458498976 501459659 /nfs/dbraw/zinc/45/96/59/501459659.db2.gz IGHVNZQXTDWYDX-HZPDHXFCSA-N 1 2 365.543 3.411 20 30 FGEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000611682903 506255269 /nfs/dbraw/zinc/25/52/69/506255269.db2.gz SRRPFBBFHOFGEC-INIZCTEOSA-N 1 2 361.239 3.153 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000454269295 501497519 /nfs/dbraw/zinc/49/75/19/501497519.db2.gz DOTJVJJXJRBWHI-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000456378422 501512863 /nfs/dbraw/zinc/51/28/63/501512863.db2.gz LJTTYSUERYLAJC-BONVTDFDSA-N 1 2 353.451 3.185 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000596101109 506258734 /nfs/dbraw/zinc/25/87/34/506258734.db2.gz AYVIMOCJPDYJEL-RHSMWYFYSA-N 1 2 371.872 3.498 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000459254700 501620148 /nfs/dbraw/zinc/62/01/48/501620148.db2.gz FVPZGDKPGHIQLU-ROUUACIJSA-N 1 2 351.454 3.351 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000459418601 501650437 /nfs/dbraw/zinc/65/04/37/501650437.db2.gz DHDPVJIAIVPBFO-AWEZNQCLSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000459418601 501650438 /nfs/dbraw/zinc/65/04/38/501650438.db2.gz DHDPVJIAIVPBFO-AWEZNQCLSA-N 1 2 356.357 3.044 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000459471969 501659294 /nfs/dbraw/zinc/65/92/94/501659294.db2.gz WFAHJDJNRBUBCX-HIFRSBDPSA-N 1 2 356.451 3.039 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000457513463 501714133 /nfs/dbraw/zinc/71/41/33/501714133.db2.gz ARDUUKFXEJDTTF-DUXKGJEZSA-N 1 2 372.509 3.272 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304787 501766279 /nfs/dbraw/zinc/76/62/79/501766279.db2.gz PEBPMJUNLYGGBM-XIRDDKMYSA-N 1 2 367.367 3.210 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304787 501766282 /nfs/dbraw/zinc/76/62/82/501766282.db2.gz PEBPMJUNLYGGBM-XIRDDKMYSA-N 1 2 367.367 3.210 20 30 FGEDLO C[C@H](C(=O)N(CC[NH+]1CCOCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000463609706 501774558 /nfs/dbraw/zinc/77/45/58/501774558.db2.gz CTJZKOHLEUMMRE-SFHVURJKSA-N 1 2 363.461 3.027 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(OC(F)F)c1 ZINC000477835581 501803042 /nfs/dbraw/zinc/80/30/42/501803042.db2.gz AMIXCUODPWPDIC-UHFFFAOYSA-N 1 2 359.376 3.187 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1C#N ZINC000478041630 501862364 /nfs/dbraw/zinc/86/23/64/501862364.db2.gz AZOHEDSOKDTQGU-QGZVFWFLSA-N 1 2 353.426 3.352 20 30 FGEDLO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000464265560 501937095 /nfs/dbraw/zinc/93/70/95/501937095.db2.gz KPHNJZHOBSWMNW-AWEZNQCLSA-N 1 2 360.421 3.201 20 30 FGEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000475072405 502044494 /nfs/dbraw/zinc/04/44/94/502044494.db2.gz DKTYTFXKJYEHNC-MRXNPFEDSA-N 1 2 365.905 3.321 20 30 FGEDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1F ZINC000471595882 502079470 /nfs/dbraw/zinc/07/94/70/502079470.db2.gz WLUBQQARYMQKNL-ZDUSSCGKSA-N 1 2 351.385 3.245 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nc(C)c(C#N)cc3Cl)CC2)cc1F ZINC000461740326 502186338 /nfs/dbraw/zinc/18/63/38/502186338.db2.gz UFQGJISSCLJYRP-UHFFFAOYSA-N 1 2 374.847 3.385 20 30 FGEDLO N#Cc1c[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000479536246 502289910 /nfs/dbraw/zinc/28/99/10/502289910.db2.gz CXDUEMYSPBJVKQ-MRXNPFEDSA-N 1 2 360.820 3.246 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c[nH+]1 ZINC000465535461 502295703 /nfs/dbraw/zinc/29/57/03/502295703.db2.gz YFDFITHJGZHPKU-MOPGFXCFSA-N 1 2 363.465 3.129 20 30 FGEDLO Cc1ccc(C[N@H+](CCO)CC(=O)c2cn(CCC#N)c3ccccc23)o1 ZINC000483183284 502306006 /nfs/dbraw/zinc/30/60/06/502306006.db2.gz JHDLVAFYJVCVCO-UHFFFAOYSA-N 1 2 365.433 3.134 20 30 FGEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)c2cn(CCC#N)c3ccccc23)o1 ZINC000483183284 502306009 /nfs/dbraw/zinc/30/60/09/502306009.db2.gz JHDLVAFYJVCVCO-UHFFFAOYSA-N 1 2 365.433 3.134 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000465699934 502351016 /nfs/dbraw/zinc/35/10/16/502351016.db2.gz WXLUECFLHFLZFA-RBUKOAKNSA-N 1 2 363.465 3.365 20 30 FGEDLO N#CCCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000462262756 502372081 /nfs/dbraw/zinc/37/20/81/502372081.db2.gz VDLJTGUDBKUPCC-UHFFFAOYSA-N 1 2 354.281 3.374 20 30 FGEDLO C=C(CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1 ZINC000476847421 502600854 /nfs/dbraw/zinc/60/08/54/502600854.db2.gz KWMZNOFSYUSIIL-NRFANRHFSA-N 1 2 365.477 3.073 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2cccc(F)c2C#N)c1)[NH+]1CCOCC1 ZINC000488309322 502682198 /nfs/dbraw/zinc/68/21/98/502682198.db2.gz FFFOZFGRBYMLRA-AWEZNQCLSA-N 1 2 353.397 3.343 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646686 502694150 /nfs/dbraw/zinc/69/41/50/502694150.db2.gz ITFBZYKETSMKIA-NSHDSACASA-N 1 2 372.694 3.295 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000484646686 502694153 /nfs/dbraw/zinc/69/41/53/502694153.db2.gz ITFBZYKETSMKIA-NSHDSACASA-N 1 2 372.694 3.295 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859398 506329445 /nfs/dbraw/zinc/32/94/45/506329445.db2.gz XXMDQBYCHBDGSE-BBWFWOEESA-N 1 2 356.514 3.057 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859398 506329451 /nfs/dbraw/zinc/32/94/51/506329451.db2.gz XXMDQBYCHBDGSE-BBWFWOEESA-N 1 2 356.514 3.057 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857264 506329475 /nfs/dbraw/zinc/32/94/75/506329475.db2.gz QCCKMABNOVOBSQ-IXDOHACOSA-N 1 2 350.466 3.085 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857264 506329481 /nfs/dbraw/zinc/32/94/81/506329481.db2.gz QCCKMABNOVOBSQ-IXDOHACOSA-N 1 2 350.466 3.085 20 30 FGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000602869379 506332368 /nfs/dbraw/zinc/33/23/68/506332368.db2.gz NUPBHONTQODRLG-CHWSQXEVSA-N 1 2 356.451 3.219 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000602870739 506332775 /nfs/dbraw/zinc/33/27/75/506332775.db2.gz WEVAQCDFLRGHLW-HNNXBMFYSA-N 1 2 351.454 3.360 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(OC)cc1 ZINC000485056986 502811188 /nfs/dbraw/zinc/81/11/88/502811188.db2.gz CNNFWZJJQHDTSV-UHFFFAOYSA-N 1 2 374.510 3.471 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(OC)cc1 ZINC000485056986 502811190 /nfs/dbraw/zinc/81/11/90/502811190.db2.gz CNNFWZJJQHDTSV-UHFFFAOYSA-N 1 2 374.510 3.471 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000500582679 502819632 /nfs/dbraw/zinc/81/96/32/502819632.db2.gz AOBUZGFVUSXUAV-KBRIMQKVSA-N 1 2 354.841 3.188 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000509175363 502840433 /nfs/dbraw/zinc/84/04/33/502840433.db2.gz ZESAWZVHRHHZPC-SFHVURJKSA-N 1 2 358.511 3.460 20 30 FGEDLO C=CCNC(=O)N1CC[NH+]([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000509399993 502892826 /nfs/dbraw/zinc/89/28/26/502892826.db2.gz OYBRGPCSXTWCNW-INIZCTEOSA-N 1 2 366.303 3.413 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOc4ccc(F)cc4C3)C2=O)cc1 ZINC000489235920 502907871 /nfs/dbraw/zinc/90/78/71/502907871.db2.gz UTZMGTDNDNJNQM-IBGZPJMESA-N 1 2 365.408 3.087 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOc4ccc(F)cc4C3)C2=O)cc1 ZINC000489235920 502907876 /nfs/dbraw/zinc/90/78/76/502907876.db2.gz UTZMGTDNDNJNQM-IBGZPJMESA-N 1 2 365.408 3.087 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1OC ZINC000505507176 502920933 /nfs/dbraw/zinc/92/09/33/502920933.db2.gz PWFPEELNCZAPRX-SFHVURJKSA-N 1 2 370.424 3.186 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000602898983 506343141 /nfs/dbraw/zinc/34/31/41/506343141.db2.gz RHMWGYMCILGCFN-UHFFFAOYSA-N 1 2 360.421 3.080 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000497620340 503002753 /nfs/dbraw/zinc/00/27/53/503002753.db2.gz GMSOYUPRELRIFZ-UHFFFAOYSA-N 1 2 357.417 3.232 20 30 FGEDLO Cc1ccc([C@H](CNc2nc3c(cc2C#N)CCC3)[NH+]2CCOCC2)cc1 ZINC000510110695 503051814 /nfs/dbraw/zinc/05/18/14/503051814.db2.gz WJQBNOSORBCYNJ-NRFANRHFSA-N 1 2 362.477 3.236 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000490037746 503096057 /nfs/dbraw/zinc/09/60/57/503096057.db2.gz JSOQJUZNIIGVDZ-IBGZPJMESA-N 1 2 371.868 3.147 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000490037746 503096059 /nfs/dbraw/zinc/09/60/59/503096059.db2.gz JSOQJUZNIIGVDZ-IBGZPJMESA-N 1 2 371.868 3.147 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000506338231 503097407 /nfs/dbraw/zinc/09/74/07/503097407.db2.gz DWXDPGSVWVBNFA-UHFFFAOYSA-N 1 2 366.440 3.332 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490090047 503107544 /nfs/dbraw/zinc/10/75/44/503107544.db2.gz NFAPEOMOOYWOAD-RBZYPMLTSA-N 1 2 362.421 3.255 20 30 FGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000490157301 503119239 /nfs/dbraw/zinc/11/92/39/503119239.db2.gz GWLFRLXCZSRWPI-CQSZACIVSA-N 1 2 354.385 3.489 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000514600871 503145883 /nfs/dbraw/zinc/14/58/83/503145883.db2.gz UPNXXENUZSVGCK-GXTWGEPZSA-N 1 2 362.393 3.298 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cn2c1 ZINC000506780859 503171632 /nfs/dbraw/zinc/17/16/32/503171632.db2.gz YJBGBRSRYDSBCY-UHFFFAOYSA-N 1 2 350.397 3.248 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000507000990 503209411 /nfs/dbraw/zinc/20/94/11/503209411.db2.gz HEFQWUUAGDROKT-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO CCCCN(CCCC)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000514853382 503209791 /nfs/dbraw/zinc/20/97/91/503209791.db2.gz FMNSWTWGOQYUIE-UHFFFAOYSA-N 1 2 370.541 3.105 20 30 FGEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000514853382 503209796 /nfs/dbraw/zinc/20/97/96/503209796.db2.gz FMNSWTWGOQYUIE-UHFFFAOYSA-N 1 2 370.541 3.105 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000510921985 503218150 /nfs/dbraw/zinc/21/81/50/503218150.db2.gz QFHCTYNERSKFLC-CQSZACIVSA-N 1 2 355.335 3.138 20 30 FGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000510932681 503219896 /nfs/dbraw/zinc/21/98/96/503219896.db2.gz NSDKOJXLVJVVJO-NSHDSACASA-N 1 2 358.244 3.498 20 30 FGEDLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502534461 503219965 /nfs/dbraw/zinc/21/99/65/503219965.db2.gz NRVCKDSVEMJFLO-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502534461 503219967 /nfs/dbraw/zinc/21/99/67/503219967.db2.gz NRVCKDSVEMJFLO-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c(F)c1 ZINC000507166402 503242236 /nfs/dbraw/zinc/24/22/36/503242236.db2.gz WPFAXJBUIAOLBC-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000502763190 503266194 /nfs/dbraw/zinc/26/61/94/503266194.db2.gz QEYSHGVKGBBWJV-GOSISDBHSA-N 1 2 361.482 3.010 20 30 FGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507300556 503273428 /nfs/dbraw/zinc/27/34/28/503273428.db2.gz CAYDGHTUIPGDNC-GOSISDBHSA-N 1 2 366.509 3.075 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000511174545 503273610 /nfs/dbraw/zinc/27/36/10/503273610.db2.gz HSZVLTLEYQBBTB-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905418 503304751 /nfs/dbraw/zinc/30/47/51/503304751.db2.gz VQBQKQJTEZNBLR-PZJWPPBQSA-N 1 2 372.415 3.316 20 30 FGEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905418 503304756 /nfs/dbraw/zinc/30/47/56/503304756.db2.gz VQBQKQJTEZNBLR-PZJWPPBQSA-N 1 2 372.415 3.316 20 30 FGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593056433 506364670 /nfs/dbraw/zinc/36/46/70/506364670.db2.gz JKJDXWKUWIQGDF-GOSISDBHSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593056433 506364674 /nfs/dbraw/zinc/36/46/74/506364674.db2.gz JKJDXWKUWIQGDF-GOSISDBHSA-N 1 2 357.498 3.440 20 30 FGEDLO N#CCC[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000492238353 503360057 /nfs/dbraw/zinc/36/00/57/503360057.db2.gz VXGKSONTAVSGMY-GOSISDBHSA-N 1 2 360.421 3.493 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796453 503368634 /nfs/dbraw/zinc/36/86/34/503368634.db2.gz NENAQYQGIHCVAY-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796453 503368637 /nfs/dbraw/zinc/36/86/37/503368637.db2.gz NENAQYQGIHCVAY-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492658648 503378674 /nfs/dbraw/zinc/37/86/74/503378674.db2.gz LEGOOPHZCGPLBD-KXBFYZLASA-N 1 2 360.417 3.297 20 30 FGEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000511867840 503404069 /nfs/dbraw/zinc/40/40/69/503404069.db2.gz MMZYXXRFOLKIIH-UHFFFAOYSA-N 1 2 359.389 3.036 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493106066 503406744 /nfs/dbraw/zinc/40/67/44/503406744.db2.gz SHXHTZBZJZTUAM-HNAYVOBHSA-N 1 2 360.417 3.297 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000515837409 503409410 /nfs/dbraw/zinc/40/94/10/503409410.db2.gz VLECVTNLHZHPOR-SFHVURJKSA-N 1 2 372.419 3.133 20 30 FGEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981038 506372194 /nfs/dbraw/zinc/37/21/94/506372194.db2.gz YWEADKWELRYPJV-UTKZUKDTSA-N 1 2 362.477 3.408 20 30 FGEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981038 506372198 /nfs/dbraw/zinc/37/21/98/506372198.db2.gz YWEADKWELRYPJV-UTKZUKDTSA-N 1 2 362.477 3.408 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977681 506372280 /nfs/dbraw/zinc/37/22/80/506372280.db2.gz FRJFPKUKVYSBLR-BXUZGUMPSA-N 1 2 370.316 3.093 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977681 506372283 /nfs/dbraw/zinc/37/22/83/506372283.db2.gz FRJFPKUKVYSBLR-BXUZGUMPSA-N 1 2 370.316 3.093 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000516249180 503481272 /nfs/dbraw/zinc/48/12/72/503481272.db2.gz KXIWPJPZCPZFBD-BMFZPTHFSA-N 1 2 364.515 3.230 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000516249180 503481276 /nfs/dbraw/zinc/48/12/76/503481276.db2.gz KXIWPJPZCPZFBD-BMFZPTHFSA-N 1 2 364.515 3.230 20 30 FGEDLO C=C(C)COc1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)ccc1OC ZINC000508486951 503503898 /nfs/dbraw/zinc/50/38/98/503503898.db2.gz JPIGITOSNKCWHZ-UHFFFAOYSA-N 1 2 364.449 3.324 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494248859 503512420 /nfs/dbraw/zinc/51/24/20/503512420.db2.gz VMUDQTMAQQEJNY-UHFFFAOYSA-N 1 2 372.694 3.296 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494248859 503512421 /nfs/dbraw/zinc/51/24/21/503512421.db2.gz VMUDQTMAQQEJNY-UHFFFAOYSA-N 1 2 372.694 3.296 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccc(OC)cc3)n2)C1=O ZINC000500025987 503535423 /nfs/dbraw/zinc/53/54/23/503535423.db2.gz PYXFXKIRAXZNHK-QGZVFWFLSA-N 1 2 357.479 3.037 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3ccc(OC)cc3)n2)C1=O ZINC000500025987 503535426 /nfs/dbraw/zinc/53/54/26/503535426.db2.gz PYXFXKIRAXZNHK-QGZVFWFLSA-N 1 2 357.479 3.037 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cnn(C(C)C)c1 ZINC000512506069 503572345 /nfs/dbraw/zinc/57/23/45/503572345.db2.gz GRPZOSHGKMHEIK-PMACEKPBSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cnn(C(C)C)c1 ZINC000512506069 503572350 /nfs/dbraw/zinc/57/23/50/503572350.db2.gz GRPZOSHGKMHEIK-PMACEKPBSA-N 1 2 374.529 3.012 20 30 FGEDLO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654850 503605050 /nfs/dbraw/zinc/60/50/50/503605050.db2.gz PGEBSAFTVPMKEG-BPXKWBHBSA-N 1 2 367.468 3.231 20 30 FGEDLO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(C#N)cc1F ZINC000512654850 503605051 /nfs/dbraw/zinc/60/50/51/503605051.db2.gz PGEBSAFTVPMKEG-BPXKWBHBSA-N 1 2 367.468 3.231 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1Cl ZINC000543442594 503772578 /nfs/dbraw/zinc/77/25/78/503772578.db2.gz HUNQLEUSURHCOQ-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1c(C)nn(C)c1C ZINC000543451355 503775303 /nfs/dbraw/zinc/77/53/03/503775303.db2.gz LSUBBMWXTBSTPW-MRXNPFEDSA-N 1 2 350.426 3.200 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(C2CCCCC2)s1 ZINC000533255444 503780027 /nfs/dbraw/zinc/78/00/27/503780027.db2.gz DHVLXXZEBHZFHG-UHFFFAOYSA-N 1 2 362.543 3.239 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000537170651 503826041 /nfs/dbraw/zinc/82/60/41/503826041.db2.gz KGYSINXWNLFXOL-INIZCTEOSA-N 1 2 351.425 3.411 20 30 FGEDLO C[C@H](C#N)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543805255 503899023 /nfs/dbraw/zinc/89/90/23/503899023.db2.gz JLIRLPMGONIYIG-DOMZBBRYSA-N 1 2 352.841 3.075 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CC(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952024 503948220 /nfs/dbraw/zinc/94/82/20/503948220.db2.gz XQBCJVRKUXBEOW-YUQFDRFKSA-N 1 2 365.399 3.295 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CC(C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952024 503948224 /nfs/dbraw/zinc/94/82/24/503948224.db2.gz XQBCJVRKUXBEOW-YUQFDRFKSA-N 1 2 365.399 3.295 20 30 FGEDLO C=CC[N@@H+](Cc1nccn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530732880 504068261 /nfs/dbraw/zinc/06/82/61/504068261.db2.gz WDSCVQGQOSBXAH-MRXNPFEDSA-N 1 2 351.458 3.189 20 30 FGEDLO C=CC[N@H+](Cc1nccn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000530732880 504068265 /nfs/dbraw/zinc/06/82/65/504068265.db2.gz WDSCVQGQOSBXAH-MRXNPFEDSA-N 1 2 351.458 3.189 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C ZINC000530778606 504085370 /nfs/dbraw/zinc/08/53/70/504085370.db2.gz HGURFPXVTWRSGT-UHFFFAOYSA-N 1 2 359.514 3.052 20 30 FGEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000534333768 504113911 /nfs/dbraw/zinc/11/39/11/504113911.db2.gz XISONOBHZGXBJF-UHFFFAOYSA-N 1 2 373.884 3.020 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000541553898 504174425 /nfs/dbraw/zinc/17/44/25/504174425.db2.gz WELUAAMXPIZQJG-RCCFBDPRSA-N 1 2 365.905 3.366 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000541553898 504174429 /nfs/dbraw/zinc/17/44/29/504174429.db2.gz WELUAAMXPIZQJG-RCCFBDPRSA-N 1 2 365.905 3.366 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000538285616 504188209 /nfs/dbraw/zinc/18/82/09/504188209.db2.gz HXQUCOAXYHQFOI-QGZVFWFLSA-N 1 2 373.497 3.030 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000544705659 504228189 /nfs/dbraw/zinc/22/81/89/504228189.db2.gz HEOZYXPJCZGIPL-HXUWFJFHSA-N 1 2 374.444 3.300 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000544705659 504228192 /nfs/dbraw/zinc/22/81/92/504228192.db2.gz HEOZYXPJCZGIPL-HXUWFJFHSA-N 1 2 374.444 3.300 20 30 FGEDLO N#CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000534805102 504246804 /nfs/dbraw/zinc/24/68/04/504246804.db2.gz JJUTUVAYWOBQKD-QGZVFWFLSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000534805102 504246808 /nfs/dbraw/zinc/24/68/08/504246808.db2.gz JJUTUVAYWOBQKD-QGZVFWFLSA-N 1 2 369.415 3.425 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000528502715 504249868 /nfs/dbraw/zinc/24/98/68/504249868.db2.gz KLXNFUPYJPYOMG-HXUWFJFHSA-N 1 2 361.445 3.159 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000528502715 504249875 /nfs/dbraw/zinc/24/98/75/504249875.db2.gz KLXNFUPYJPYOMG-HXUWFJFHSA-N 1 2 361.445 3.159 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC000535065043 504332883 /nfs/dbraw/zinc/33/28/83/504332883.db2.gz GUPPPYVIKXKPKX-HXUWFJFHSA-N 1 2 373.460 3.031 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720179 504348285 /nfs/dbraw/zinc/34/82/85/504348285.db2.gz OFLDYVZWHCBMFM-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720179 504348288 /nfs/dbraw/zinc/34/82/88/504348288.db2.gz OFLDYVZWHCBMFM-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548492932 504465883 /nfs/dbraw/zinc/46/58/83/504465883.db2.gz KZYNVKYBLMJPRZ-ZHRRBRCNSA-N 1 2 361.445 3.407 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548492932 504465889 /nfs/dbraw/zinc/46/58/89/504465889.db2.gz KZYNVKYBLMJPRZ-ZHRRBRCNSA-N 1 2 361.445 3.407 20 30 FGEDLO CCCn1c2ccccc2nc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545551149 504524185 /nfs/dbraw/zinc/52/41/85/504524185.db2.gz RWLSVTWHERLAMX-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)OCC ZINC000535904718 504578002 /nfs/dbraw/zinc/57/80/02/504578002.db2.gz GLGOIZDKHUGSPM-FQEVSTJZSA-N 1 2 360.498 3.101 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)OCC ZINC000535911799 504580311 /nfs/dbraw/zinc/58/03/11/504580311.db2.gz ULRHTMYDYKTYBT-GOSISDBHSA-N 1 2 350.890 3.356 20 30 FGEDLO Cc1cc(-c2nnc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)o2)c(C)o1 ZINC000548865366 504597372 /nfs/dbraw/zinc/59/73/72/504597372.db2.gz FVRIYSVPFZQLSP-UHFFFAOYSA-N 1 2 363.421 3.399 20 30 FGEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4ccsc4)CC3)cc2)CC1 ZINC000539648098 504639463 /nfs/dbraw/zinc/63/94/63/504639463.db2.gz OWSKNSNAFUFDAB-UHFFFAOYSA-N 1 2 351.475 3.261 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)c3ccc(C#N)c(O)c3)ccc2n1C1CC1 ZINC000549156194 504706534 /nfs/dbraw/zinc/70/65/34/504706534.db2.gz XQXBPQBRJFJADK-UHFFFAOYSA-N 1 2 360.417 3.441 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)c1 ZINC000529520816 504709410 /nfs/dbraw/zinc/70/94/10/504709410.db2.gz MYXSGLHGWFSQAT-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000521631513 504766933 /nfs/dbraw/zinc/76/69/33/504766933.db2.gz JQKMNDQZDKNMLC-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000521631513 504766936 /nfs/dbraw/zinc/76/69/36/504766936.db2.gz JQKMNDQZDKNMLC-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1Cc1ccccc1 ZINC000549832723 504910506 /nfs/dbraw/zinc/91/05/06/504910506.db2.gz DLCAKPAKASYEQQ-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2ccccc2Cl)[C@H]1Cc1ccccc1 ZINC000549832723 504910507 /nfs/dbraw/zinc/91/05/07/504910507.db2.gz DLCAKPAKASYEQQ-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccc(F)cc1 ZINC000559977510 504961789 /nfs/dbraw/zinc/96/17/89/504961789.db2.gz SDTYQBUINBEXLQ-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccc(F)cc1 ZINC000559977510 504961794 /nfs/dbraw/zinc/96/17/94/504961794.db2.gz SDTYQBUINBEXLQ-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c(C)c1 ZINC000553708963 504988491 /nfs/dbraw/zinc/98/84/91/504988491.db2.gz UAARMFVDWVYDJW-GOSISDBHSA-N 1 2 357.498 3.155 20 30 FGEDLO CC(C)n1cncc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000563021978 505023454 /nfs/dbraw/zinc/02/34/54/505023454.db2.gz MTXPDULVKHHRFG-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO CC(C)n1c[nH+]cc1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000563021978 505023459 /nfs/dbraw/zinc/02/34/59/505023459.db2.gz MTXPDULVKHHRFG-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000553885756 505032998 /nfs/dbraw/zinc/03/29/98/505032998.db2.gz KVZCKXXBCVOFPD-OAHLLOKOSA-N 1 2 363.255 3.096 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000557065507 505057827 /nfs/dbraw/zinc/05/78/27/505057827.db2.gz UNPUCAIGHVPMBC-UHFFFAOYSA-N 1 2 355.348 3.175 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000563218482 505078925 /nfs/dbraw/zinc/07/89/25/505078925.db2.gz ZCHLSOZOYGISRX-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000563218482 505078927 /nfs/dbraw/zinc/07/89/27/505078927.db2.gz ZCHLSOZOYGISRX-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000563220061 505079343 /nfs/dbraw/zinc/07/93/43/505079343.db2.gz FUUXWWMZQAPDQS-USMBCXJUSA-N 1 2 357.420 3.095 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000560471900 505096622 /nfs/dbraw/zinc/09/66/22/505096622.db2.gz UGZWWAJBYOGHPJ-UHFFFAOYSA-N 1 2 359.433 3.397 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1Br ZINC000554181369 505111456 /nfs/dbraw/zinc/11/14/56/505111456.db2.gz YFPBRVORUXVWCZ-KRWDZBQOSA-N 1 2 366.303 3.325 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1Br ZINC000554181369 505111458 /nfs/dbraw/zinc/11/14/58/505111458.db2.gz YFPBRVORUXVWCZ-KRWDZBQOSA-N 1 2 366.303 3.325 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1nnc2ccccn21 ZINC000554264784 505129281 /nfs/dbraw/zinc/12/92/81/505129281.db2.gz NUNFDQZFWBKZCN-NSHDSACASA-N 1 2 356.227 3.214 20 30 FGEDLO Cn1ncc2c1nc[nH+]c2SCc1ccc(Br)cc1C#N ZINC000557758045 505223366 /nfs/dbraw/zinc/22/33/66/505223366.db2.gz UFILZOCBMGUFTM-UHFFFAOYSA-N 1 2 360.240 3.290 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000554745891 505255957 /nfs/dbraw/zinc/25/59/57/505255957.db2.gz PUTNYHWARSETHE-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000554745891 505255960 /nfs/dbraw/zinc/25/59/60/505255960.db2.gz PUTNYHWARSETHE-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000554841041 505278230 /nfs/dbraw/zinc/27/82/30/505278230.db2.gz NRDWPBANDGFGGQ-GFCCVEGCSA-N 1 2 372.354 3.404 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551734833 505294003 /nfs/dbraw/zinc/29/40/03/505294003.db2.gz NOLMVVYAWCZJOH-JOCHJYFZSA-N 1 2 361.445 3.467 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551734833 505294008 /nfs/dbraw/zinc/29/40/08/505294008.db2.gz NOLMVVYAWCZJOH-JOCHJYFZSA-N 1 2 361.445 3.467 20 30 FGEDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O ZINC000554982702 505319814 /nfs/dbraw/zinc/31/98/14/505319814.db2.gz WWPZGLJMVSRGSW-OAQYLSRUSA-N 1 2 362.433 3.352 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NCC4(C#N)CC4)c3)cn2c1 ZINC000564198354 505350253 /nfs/dbraw/zinc/35/02/53/505350253.db2.gz RASRZWOLVJVKOO-UHFFFAOYSA-N 1 2 360.417 3.255 20 30 FGEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000561636102 505396583 /nfs/dbraw/zinc/39/65/83/505396583.db2.gz UCINCEFXMFVQIY-UHFFFAOYSA-N 1 2 365.905 3.068 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)ccn1 ZINC000564550184 505450373 /nfs/dbraw/zinc/45/03/73/505450373.db2.gz MGKJUFLAAPYPSH-AWEZNQCLSA-N 1 2 359.389 3.143 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000555653138 505487251 /nfs/dbraw/zinc/48/72/51/505487251.db2.gz BZGBNIQOAYSJGV-AWEZNQCLSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)nc1 ZINC000555653138 505487255 /nfs/dbraw/zinc/48/72/55/505487255.db2.gz BZGBNIQOAYSJGV-AWEZNQCLSA-N 1 2 352.419 3.323 20 30 FGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000559034805 505555141 /nfs/dbraw/zinc/55/51/41/505555141.db2.gz RANZMVZCMXXCPZ-UONOGXRCSA-N 1 2 351.372 3.155 20 30 FGEDLO Cc1cc(S[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000567861075 505569025 /nfs/dbraw/zinc/56/90/25/505569025.db2.gz JBTUUTVUDWAMIT-MRXNPFEDSA-N 1 2 366.490 3.091 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)ccc1C ZINC000599265747 506389879 /nfs/dbraw/zinc/38/98/79/506389879.db2.gz VEEJPRTYIUHNAN-UHFFFAOYSA-N 1 2 363.461 3.142 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000596428954 506401574 /nfs/dbraw/zinc/40/15/74/506401574.db2.gz VWNLJGADTUTIMF-SFHVURJKSA-N 1 2 365.481 3.477 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000612135466 506455936 /nfs/dbraw/zinc/45/59/36/506455936.db2.gz QBSUEULPXHWXMR-OAQYLSRUSA-N 1 2 365.481 3.351 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603229098 506462290 /nfs/dbraw/zinc/46/22/90/506462290.db2.gz WTHKVDOVKOZSHB-SFHVURJKSA-N 1 2 372.476 3.081 20 30 FGEDLO N#Cc1cccc(OCCCn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)c1 ZINC000603243537 506465416 /nfs/dbraw/zinc/46/54/16/506465416.db2.gz WUAGIFJTQKBTDG-UHFFFAOYSA-N 1 2 365.412 3.048 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589168361 506467504 /nfs/dbraw/zinc/46/75/04/506467504.db2.gz UPEBTTOUXNCWAR-CQSZACIVSA-N 1 2 369.852 3.436 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000603269394 506471796 /nfs/dbraw/zinc/47/17/96/506471796.db2.gz QWCUUAWKBIXQRP-UHFFFAOYSA-N 1 2 350.422 3.252 20 30 FGEDLO C=C(C)COc1cc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)ccc1OC ZINC000589323828 506518412 /nfs/dbraw/zinc/51/84/12/506518412.db2.gz XEOOYFMIDISNEP-UHFFFAOYSA-N 1 2 374.437 3.450 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000612306398 506521041 /nfs/dbraw/zinc/52/10/41/506521041.db2.gz FPECYQJJMTXEHW-LJQANCHMSA-N 1 2 353.426 3.120 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000612357889 506543007 /nfs/dbraw/zinc/54/30/07/506543007.db2.gz TYLGAPFIZKTHDJ-LPHOPBHVSA-N 1 2 371.872 3.498 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000583036240 506553838 /nfs/dbraw/zinc/55/38/38/506553838.db2.gz FMIALLSRDSRVGH-UHFFFAOYSA-N 1 2 362.462 3.052 20 30 FGEDLO N#Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC000589515787 506575589 /nfs/dbraw/zinc/57/55/89/506575589.db2.gz BOQXEIPBTNDXSC-UHFFFAOYSA-N 1 2 364.836 3.315 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC1(C#N)CCCC1 ZINC000593432992 506617244 /nfs/dbraw/zinc/61/72/44/506617244.db2.gz BYMOGPBEEGKRLQ-KRWDZBQOSA-N 1 2 351.454 3.087 20 30 FGEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000593442655 506622989 /nfs/dbraw/zinc/62/29/89/506622989.db2.gz WXBVEAGPDYEPTK-HNNXBMFYSA-N 1 2 373.254 3.340 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCc3[nH]c[nH+]c3C2)cc1C ZINC000599952334 506725044 /nfs/dbraw/zinc/72/50/44/506725044.db2.gz LEASVGQDPDEUSL-UHFFFAOYSA-N 1 2 374.448 3.002 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCc3[nH+]c[nH]c3C2)cc1C ZINC000599952334 506725049 /nfs/dbraw/zinc/72/50/49/506725049.db2.gz LEASVGQDPDEUSL-UHFFFAOYSA-N 1 2 374.448 3.002 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OC4CC4)c3F)CC2)c1C#N ZINC000597132871 506794856 /nfs/dbraw/zinc/79/48/56/506794856.db2.gz MNQNUSGXRGQVSB-UHFFFAOYSA-N 1 2 372.469 3.326 20 30 FGEDLO N#CCn1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc2ccccc21 ZINC000609160323 506797538 /nfs/dbraw/zinc/79/75/38/506797538.db2.gz SCOGGERPOBJBAG-UHFFFAOYSA-N 1 2 364.474 3.184 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H](C)CC#N ZINC000597155702 506802865 /nfs/dbraw/zinc/80/28/65/506802865.db2.gz XCBDRCMMVCMKKS-QGZVFWFLSA-N 1 2 354.454 3.250 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1 ZINC000590363771 506804075 /nfs/dbraw/zinc/80/40/75/506804075.db2.gz QKQHHPVPLXTCAH-IBGZPJMESA-N 1 2 368.868 3.064 20 30 FGEDLO CN1CC[NH+]([C@@H](CNC(=O)CC2(C#N)CCCCC2)c2cccs2)CC1 ZINC000597217768 506842176 /nfs/dbraw/zinc/84/21/76/506842176.db2.gz COHXIEPTMTTYSQ-KRWDZBQOSA-N 1 2 374.554 3.017 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000593965305 506853718 /nfs/dbraw/zinc/85/37/18/506853718.db2.gz CXZHDPGRYKRJOI-GOSISDBHSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc1 ZINC000593965305 506853726 /nfs/dbraw/zinc/85/37/26/506853726.db2.gz CXZHDPGRYKRJOI-GOSISDBHSA-N 1 2 360.417 3.094 20 30 FGEDLO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@@H](C)C#N ZINC000590648907 506895138 /nfs/dbraw/zinc/89/51/38/506895138.db2.gz KNIAKZIYERUGOU-JTQLQIEISA-N 1 2 367.236 3.215 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000609485645 506895927 /nfs/dbraw/zinc/89/59/27/506895927.db2.gz UNFDTARLWCUUBH-QGZVFWFLSA-N 1 2 363.889 3.167 20 30 FGEDLO N#Cc1ccc(F)c(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564446 506923315 /nfs/dbraw/zinc/92/33/15/506923315.db2.gz UXFZNZJYSRZRBT-FQEVSTJZSA-N 1 2 373.859 3.202 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564421 506923401 /nfs/dbraw/zinc/92/34/01/506923401.db2.gz QQYOAWGYQZDMBH-FQEVSTJZSA-N 1 2 355.869 3.063 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564421 506923410 /nfs/dbraw/zinc/92/34/10/506923410.db2.gz QQYOAWGYQZDMBH-FQEVSTJZSA-N 1 2 355.869 3.063 20 30 FGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590959319 507060468 /nfs/dbraw/zinc/06/04/68/507060468.db2.gz XHYCZBAUFJJANY-HEHGZKQESA-N 1 2 356.495 3.498 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000594293379 507067620 /nfs/dbraw/zinc/06/76/20/507067620.db2.gz SJWBIZGDVHEAHB-AUUYWEPGSA-N 1 2 371.431 3.434 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708227 507068729 /nfs/dbraw/zinc/06/87/29/507068729.db2.gz VCKSMUOCFQSTHB-INIZCTEOSA-N 1 2 369.490 3.018 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000610348623 507205260 /nfs/dbraw/zinc/20/52/60/507205260.db2.gz PCOLKHSMDJGUKK-OAHLLOKOSA-N 1 2 351.454 3.360 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)o2)c1 ZINC000610433077 507237454 /nfs/dbraw/zinc/23/74/54/507237454.db2.gz VURKWZZMIWHQNV-IBGZPJMESA-N 1 2 370.416 3.336 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000594714384 507250602 /nfs/dbraw/zinc/25/06/02/507250602.db2.gz YVYJUEJTSNCQMZ-ZIAGYGMSSA-N 1 2 358.467 3.138 20 30 FGEDLO N#CC1CCC(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000584389624 507316695 /nfs/dbraw/zinc/31/66/95/507316695.db2.gz FJVOLRMCIYEZIJ-UHFFFAOYSA-N 1 2 374.916 3.327 20 30 FGEDLO N#CC1CCC(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000584389624 507316697 /nfs/dbraw/zinc/31/66/97/507316697.db2.gz FJVOLRMCIYEZIJ-UHFFFAOYSA-N 1 2 374.916 3.327 20 30 FGEDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610967203 507457844 /nfs/dbraw/zinc/45/78/44/507457844.db2.gz JIUOOWFQDHNRST-KRWDZBQOSA-N 1 2 366.465 3.437 20 30 FGEDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610967203 507457851 /nfs/dbraw/zinc/45/78/51/507457851.db2.gz JIUOOWFQDHNRST-KRWDZBQOSA-N 1 2 366.465 3.437 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000595311669 507458122 /nfs/dbraw/zinc/45/81/22/507458122.db2.gz FFHGMOWCDDLXFA-WOJBJXKFSA-N 1 2 355.869 3.256 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000592057847 507468357 /nfs/dbraw/zinc/46/83/57/507468357.db2.gz PTRFQVGSFLARQB-INIZCTEOSA-N 1 2 361.449 3.460 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991215 507470284 /nfs/dbraw/zinc/47/02/84/507470284.db2.gz FABOUQDJDYHZAB-HNNXBMFYSA-N 1 2 363.490 3.442 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990587 507471426 /nfs/dbraw/zinc/47/14/26/507471426.db2.gz BRCLDUOKEJULHG-AWEZNQCLSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)c1C#N ZINC000610990587 507471433 /nfs/dbraw/zinc/47/14/33/507471433.db2.gz BRCLDUOKEJULHG-AWEZNQCLSA-N 1 2 358.486 3.141 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000592156145 507512784 /nfs/dbraw/zinc/51/27/84/507512784.db2.gz HGPJKRIRHGGKQK-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000592156145 507512791 /nfs/dbraw/zinc/51/27/91/507512791.db2.gz HGPJKRIRHGGKQK-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO N#CCCN1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000611176006 507548187 /nfs/dbraw/zinc/54/81/87/507548187.db2.gz QOJBCFFDTRIQGY-HXUWFJFHSA-N 1 2 373.460 3.357 20 30 FGEDLO CC(C)c1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(C(C)C)[nH+]1 ZINC000611181523 507550458 /nfs/dbraw/zinc/55/04/58/507550458.db2.gz YJGLQAYBZFSQAK-UHFFFAOYSA-N 1 2 350.470 3.317 20 30 FGEDLO C=CCCCCCN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000606916561 507555388 /nfs/dbraw/zinc/55/53/88/507555388.db2.gz PLXJWWBAYRYJMX-UHFFFAOYSA-N 1 2 359.514 3.407 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000595591708 507580646 /nfs/dbraw/zinc/58/06/46/507580646.db2.gz BSAIDDHNHVRPDG-UHFFFAOYSA-N 1 2 368.485 3.275 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000595591708 507580654 /nfs/dbraw/zinc/58/06/54/507580654.db2.gz BSAIDDHNHVRPDG-UHFFFAOYSA-N 1 2 368.485 3.275 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618192 507594265 /nfs/dbraw/zinc/59/42/65/507594265.db2.gz YQLKJCXGMKAVTL-AWEZNQCLSA-N 1 2 363.483 3.106 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618192 507594274 /nfs/dbraw/zinc/59/42/74/507594274.db2.gz YQLKJCXGMKAVTL-AWEZNQCLSA-N 1 2 363.483 3.106 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595620639 507596523 /nfs/dbraw/zinc/59/65/23/507596523.db2.gz OBEGJKHIBLIDAY-GFCCVEGCSA-N 1 2 369.368 3.373 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595620639 507596526 /nfs/dbraw/zinc/59/65/26/507596526.db2.gz OBEGJKHIBLIDAY-GFCCVEGCSA-N 1 2 369.368 3.373 20 30 FGEDLO N#CCc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000585722703 507606445 /nfs/dbraw/zinc/60/64/45/507606445.db2.gz DFLRKSJHRXYOGO-UHFFFAOYSA-N 1 2 372.837 3.393 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595654348 507616139 /nfs/dbraw/zinc/61/61/39/507616139.db2.gz UMFBMAHVWLTRQB-ZWKOTPCHSA-N 1 2 351.454 3.039 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000598836196 507628733 /nfs/dbraw/zinc/62/87/33/507628733.db2.gz CGZPUPLYSHICDW-HNNXBMFYSA-N 1 2 355.385 3.494 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1)CCCC2 ZINC000585792895 507630085 /nfs/dbraw/zinc/63/00/85/507630085.db2.gz WOPIQKLTTLQHKM-HXUWFJFHSA-N 1 2 362.477 3.467 20 30 FGEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595711691 507643398 /nfs/dbraw/zinc/64/33/98/507643398.db2.gz CDHGVLYICMEUIS-LJQANCHMSA-N 1 2 361.449 3.040 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000592521897 507693151 /nfs/dbraw/zinc/69/31/51/507693151.db2.gz DFHKIOZKBPKEFI-CYBMUJFWSA-N 1 2 374.076 3.062 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000592521897 507693156 /nfs/dbraw/zinc/69/31/56/507693156.db2.gz DFHKIOZKBPKEFI-CYBMUJFWSA-N 1 2 374.076 3.062 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822165 507700768 /nfs/dbraw/zinc/70/07/68/507700768.db2.gz OCTJMPKOCFBNQU-UHFFFAOYSA-N 1 2 359.857 3.041 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822165 507700772 /nfs/dbraw/zinc/70/07/72/507700772.db2.gz OCTJMPKOCFBNQU-UHFFFAOYSA-N 1 2 359.857 3.041 20 30 FGEDLO COc1cc(CN2CC[C@](C)(C#N)C2)cc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840364 507710178 /nfs/dbraw/zinc/71/01/78/507710178.db2.gz AEKUXZFVIFMSON-NHCUHLMSSA-N 1 2 352.482 3.166 20 30 FGEDLO COc1cc(CN2CC[C@](C)(C#N)C2)cc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840364 507710181 /nfs/dbraw/zinc/71/01/81/507710181.db2.gz AEKUXZFVIFMSON-NHCUHLMSSA-N 1 2 352.482 3.166 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602464034 507717750 /nfs/dbraw/zinc/71/77/50/507717750.db2.gz ARUJYGODJORQLI-UHFFFAOYSA-N 1 2 350.264 3.254 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn2cc(Br)cnc12 ZINC000602464034 507717753 /nfs/dbraw/zinc/71/77/53/507717753.db2.gz ARUJYGODJORQLI-UHFFFAOYSA-N 1 2 350.264 3.254 20 30 FGEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611552480 507735963 /nfs/dbraw/zinc/73/59/63/507735963.db2.gz ZIRIJSDNXISXSU-NRFANRHFSA-N 1 2 366.440 3.167 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000611560543 507739047 /nfs/dbraw/zinc/73/90/47/507739047.db2.gz IMQIZOHHGAPJQH-GOSISDBHSA-N 1 2 365.368 3.218 20 30 FGEDLO CC1(C)COCC[N@@H+]1CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479994781 561200876 /nfs/dbraw/zinc/20/08/76/561200876.db2.gz RLLUIBYUDBCPFN-UHFFFAOYSA-N 1 2 367.497 3.007 20 30 FGEDLO CC1(C)COCC[N@H+]1CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479994781 561200877 /nfs/dbraw/zinc/20/08/77/561200877.db2.gz RLLUIBYUDBCPFN-UHFFFAOYSA-N 1 2 367.497 3.007 20 30 FGEDLO C=C(CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1 ZINC000637147623 568451407 /nfs/dbraw/zinc/45/14/07/568451407.db2.gz ULEVEIXNEYCGJP-UHFFFAOYSA-N 1 2 368.506 3.147 20 30 FGEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881613 568633594 /nfs/dbraw/zinc/63/35/94/568633594.db2.gz OGQWNXCYILGKON-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881613 568633595 /nfs/dbraw/zinc/63/35/95/568633595.db2.gz OGQWNXCYILGKON-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccc(-c2ccccc2)n1 ZINC000735426352 598590331 /nfs/dbraw/zinc/59/03/31/598590331.db2.gz PXFAHIDZKGHLHJ-UHFFFAOYSA-N 1 2 371.448 3.376 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccc(-c2ccccc2)n1 ZINC000735426352 598590332 /nfs/dbraw/zinc/59/03/32/598590332.db2.gz PXFAHIDZKGHLHJ-UHFFFAOYSA-N 1 2 371.448 3.376 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2cccnc2Cl)ccc1OC(F)F ZINC000112968450 700566583 /nfs/dbraw/zinc/56/65/83/700566583.db2.gz YWDBGYXAQSOGGY-UHFFFAOYSA-N 1 2 357.744 3.182 20 30 FGEDLO C#CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000121875063 700681671 /nfs/dbraw/zinc/68/16/71/700681671.db2.gz YTQWPSUHFQWDRQ-SJORKVTESA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000121875063 700681672 /nfs/dbraw/zinc/68/16/72/700681672.db2.gz YTQWPSUHFQWDRQ-SJORKVTESA-N 1 2 351.853 3.327 20 30 FGEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000185618672 712698179 /nfs/dbraw/zinc/69/81/79/712698179.db2.gz HPMVZZRWNSHYLF-JKSUJKDBSA-N 1 2 356.495 3.313 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000526058626 714400867 /nfs/dbraw/zinc/40/08/67/714400867.db2.gz PNHXLSSRZHKSSG-HIFRSBDPSA-N 1 2 354.479 3.384 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000526058626 714400870 /nfs/dbraw/zinc/40/08/70/714400870.db2.gz PNHXLSSRZHKSSG-HIFRSBDPSA-N 1 2 354.479 3.384 20 30 FGEDLO C#CCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000780016791 724441331 /nfs/dbraw/zinc/44/13/31/724441331.db2.gz RQMVUIICUCQDOJ-ICSRJNTNSA-N 1 2 362.901 3.412 20 30 FGEDLO C#CCCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000780016791 724441333 /nfs/dbraw/zinc/44/13/33/724441333.db2.gz RQMVUIICUCQDOJ-ICSRJNTNSA-N 1 2 362.901 3.412 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635547296 717177878 /nfs/dbraw/zinc/17/78/78/717177878.db2.gz FNVCFXKTJBJJLC-OAHLLOKOSA-N 1 2 353.344 3.258 20 30 FGEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nn1 ZINC000641134631 717865207 /nfs/dbraw/zinc/86/52/07/717865207.db2.gz MJJXVEIOZQFCNY-ZDUSSCGKSA-N 1 2 355.829 3.309 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662056595 720367362 /nfs/dbraw/zinc/36/73/62/720367362.db2.gz SRUOFFVQRHOCAQ-WFASDCNBSA-N 1 2 359.297 3.430 20 30 FGEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949776 724711747 /nfs/dbraw/zinc/71/17/47/724711747.db2.gz ZQLFXALDTAKFIB-UHFFFAOYSA-N 1 2 362.227 3.245 20 30 FGEDLO Cc1nn(C)cc1C(=O)/C=C\c1c[nH+]c2c(C)cc(Br)cn12 ZINC000783706312 724780158 /nfs/dbraw/zinc/78/01/58/724780158.db2.gz BHBZQUTUXBWZFU-PLNGDYQASA-N 1 2 359.227 3.343 20 30 FGEDLO N#Cc1nc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)cc1Cl ZINC001165054897 722019454 /nfs/dbraw/zinc/01/94/54/722019454.db2.gz IPTXHYFJFWRXAH-UHFFFAOYSA-N 1 2 362.264 3.020 20 30 FGEDLO Cc1[nH+]cc(CN=Nc2ncccn2)n1-c1ccc(Br)cc1 ZINC000734978651 722511661 /nfs/dbraw/zinc/51/16/61/722511661.db2.gz QHCDFLJXGIBKEJ-UHFFFAOYSA-N 1 2 357.215 3.179 20 30 FGEDLO NC(=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)cc1 ZINC000747826111 722662379 /nfs/dbraw/zinc/66/23/79/722662379.db2.gz CFTXFWFSEYLWDK-UHFFFAOYSA-N 1 2 374.796 3.173 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000751525377 722811706 /nfs/dbraw/zinc/81/17/06/722811706.db2.gz CTUCFPGMDVYSQG-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000751525377 722811707 /nfs/dbraw/zinc/81/17/07/722811707.db2.gz CTUCFPGMDVYSQG-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO C#CC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000753944331 722919340 /nfs/dbraw/zinc/91/93/40/722919340.db2.gz XBMRDFLLWRWIFR-QGZVFWFLSA-N 1 2 356.516 3.319 20 30 FGEDLO C#CC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000753944331 722919342 /nfs/dbraw/zinc/91/93/42/722919342.db2.gz XBMRDFLLWRWIFR-QGZVFWFLSA-N 1 2 356.516 3.319 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000757063199 722973914 /nfs/dbraw/zinc/97/39/14/722973914.db2.gz XQPRPPVKANQLGX-LJQANCHMSA-N 1 2 353.491 3.340 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000791452935 723245637 /nfs/dbraw/zinc/24/56/37/723245637.db2.gz XBBCQCZLCAXQCQ-UHFFFAOYSA-N 1 2 356.491 3.384 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000791452935 723245641 /nfs/dbraw/zinc/24/56/41/723245641.db2.gz XBBCQCZLCAXQCQ-UHFFFAOYSA-N 1 2 356.491 3.384 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766003753 723550784 /nfs/dbraw/zinc/55/07/84/723550784.db2.gz XQIWWHNNCJZFNP-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO Cc1ccn(C[N@@H+](C)Cc2ccc(Br)cc2C)c(=O)c1C#N ZINC000766087223 723555129 /nfs/dbraw/zinc/55/51/29/723555129.db2.gz AGXCBKNNLHOSJG-UHFFFAOYSA-N 1 2 360.255 3.189 20 30 FGEDLO Cc1ccn(C[N@H+](C)Cc2ccc(Br)cc2C)c(=O)c1C#N ZINC000766087223 723555133 /nfs/dbraw/zinc/55/51/33/723555133.db2.gz AGXCBKNNLHOSJG-UHFFFAOYSA-N 1 2 360.255 3.189 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1Cc2cccc(Br)c2C1=O ZINC000795409527 723589112 /nfs/dbraw/zinc/58/91/12/723589112.db2.gz VHZBEPHLIREOEH-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1Cc2cccc(Br)c2C1=O ZINC000795409527 723589115 /nfs/dbraw/zinc/58/91/15/723589115.db2.gz VHZBEPHLIREOEH-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000769473575 723686613 /nfs/dbraw/zinc/68/66/13/723686613.db2.gz PAUWMVKGIUWPCU-OAHLLOKOSA-N 1 2 358.463 3.013 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000769473575 723686614 /nfs/dbraw/zinc/68/66/14/723686614.db2.gz PAUWMVKGIUWPCU-OAHLLOKOSA-N 1 2 358.463 3.013 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128123 723990089 /nfs/dbraw/zinc/99/00/89/723990089.db2.gz NCEPJXNZRCOJCO-JKSUJKDBSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128123 723990090 /nfs/dbraw/zinc/99/00/90/723990090.db2.gz NCEPJXNZRCOJCO-JKSUJKDBSA-N 1 2 364.921 3.425 20 30 FGEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000805828221 725099060 /nfs/dbraw/zinc/09/90/60/725099060.db2.gz DDIYVCZZPNOBCJ-AWEZNQCLSA-N 1 2 366.259 3.031 20 30 FGEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000805828221 725099063 /nfs/dbraw/zinc/09/90/63/725099063.db2.gz DDIYVCZZPNOBCJ-AWEZNQCLSA-N 1 2 366.259 3.031 20 30 FGEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC#Cc3ccccc3)CC2)cs1 ZINC000805862587 725101069 /nfs/dbraw/zinc/10/10/69/725101069.db2.gz AVIHBEIQEZZQAV-UHFFFAOYSA-N 1 2 354.475 3.258 20 30 FGEDLO CN(CC1CC[NH+](Cc2nc(C#N)cs2)CC1)C(=O)OC(C)(C)C ZINC000811460846 725366751 /nfs/dbraw/zinc/36/67/51/725366751.db2.gz AVTJUIXHXKYYHQ-UHFFFAOYSA-N 1 2 350.488 3.094 20 30 FGEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000812934678 726823906 /nfs/dbraw/zinc/82/39/06/726823906.db2.gz MXXMJCXEJWMSQJ-GOSISDBHSA-N 1 2 357.454 3.089 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000819535047 727381372 /nfs/dbraw/zinc/38/13/72/727381372.db2.gz KXEOWJSEVDVBMK-UHFFFAOYSA-N 1 2 368.915 3.078 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000820265573 728979105 /nfs/dbraw/zinc/97/91/05/728979105.db2.gz JGHOLVXUWBYSOY-AWEZNQCLSA-N 1 2 355.291 3.166 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000820272038 728980000 /nfs/dbraw/zinc/98/00/00/728980000.db2.gz YQVWFAREDTXNFV-AWEZNQCLSA-N 1 2 355.291 3.166 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccc(Cl)cc1 ZINC000820619582 729011188 /nfs/dbraw/zinc/01/11/88/729011188.db2.gz VJUNJBFHRFPIJX-UHFFFAOYSA-N 1 2 357.841 3.369 20 30 FGEDLO CSc1ccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc1 ZINC000834998133 729849215 /nfs/dbraw/zinc/84/92/15/729849215.db2.gz CMUWWYSGMWCJOK-UHFFFAOYSA-N 1 2 362.890 3.480 20 30 FGEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877621379 736695379 /nfs/dbraw/zinc/69/53/79/736695379.db2.gz VNXBJNHKTBVRBC-UHFFFAOYSA-N 1 2 352.866 3.342 20 30 FGEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877621379 736695383 /nfs/dbraw/zinc/69/53/83/736695383.db2.gz VNXBJNHKTBVRBC-UHFFFAOYSA-N 1 2 352.866 3.342 20 30 FGEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425329 730619288 /nfs/dbraw/zinc/61/92/88/730619288.db2.gz LCAGIRXAPVSSKO-IBGZPJMESA-N 1 2 358.873 3.301 20 30 FGEDLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425329 730619289 /nfs/dbraw/zinc/61/92/89/730619289.db2.gz LCAGIRXAPVSSKO-IBGZPJMESA-N 1 2 358.873 3.301 20 30 FGEDLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000857899824 732167215 /nfs/dbraw/zinc/16/72/15/732167215.db2.gz QERIZPOAEAXKHJ-SNVBAGLBSA-N 1 2 367.352 3.112 20 30 FGEDLO C[N@@H+](Cc1ncc(Br)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401822 732826128 /nfs/dbraw/zinc/82/61/28/732826128.db2.gz UGFNOYZIPZZWBQ-MRXNPFEDSA-N 1 2 364.218 3.020 20 30 FGEDLO C[N@H+](Cc1ncc(Br)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401822 732826131 /nfs/dbraw/zinc/82/61/31/732826131.db2.gz UGFNOYZIPZZWBQ-MRXNPFEDSA-N 1 2 364.218 3.020 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000867103452 733439712 /nfs/dbraw/zinc/43/97/12/733439712.db2.gz YHTOFKGCGHERGH-HZPDHXFCSA-N 1 2 361.417 3.268 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000867103452 733439716 /nfs/dbraw/zinc/43/97/16/733439716.db2.gz YHTOFKGCGHERGH-HZPDHXFCSA-N 1 2 361.417 3.268 20 30 FGEDLO C=C(Br)C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877020394 736176872 /nfs/dbraw/zinc/17/68/72/736176872.db2.gz RRYOSVVJEIBUQF-UHFFFAOYSA-N 1 2 374.279 3.433 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318550 737153521 /nfs/dbraw/zinc/15/35/21/737153521.db2.gz HNLXUCBRXSXDAQ-NWDGAFQWSA-N 1 2 372.519 3.381 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318550 737153523 /nfs/dbraw/zinc/15/35/23/737153523.db2.gz HNLXUCBRXSXDAQ-NWDGAFQWSA-N 1 2 372.519 3.381 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000880480639 737179568 /nfs/dbraw/zinc/17/95/68/737179568.db2.gz ZRAOSSOJXLIADS-LBPRGKRZSA-N 1 2 355.265 3.171 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886810837 739304981 /nfs/dbraw/zinc/30/49/81/739304981.db2.gz FPZIHCDFWVXLCB-ZDUSSCGKSA-N 1 2 363.177 3.067 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886810837 739304989 /nfs/dbraw/zinc/30/49/89/739304989.db2.gz FPZIHCDFWVXLCB-ZDUSSCGKSA-N 1 2 363.177 3.067 20 30 FGEDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)o1 ZINC000894466094 742286856 /nfs/dbraw/zinc/28/68/56/742286856.db2.gz VEAHGMQWVSUUHR-UHFFFAOYSA-N 1 2 363.211 3.380 20 30 FGEDLO FC1(F)[C@H]2C[N@H+](Cc3cnccn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897053946 742636765 /nfs/dbraw/zinc/63/67/65/742636765.db2.gz DSIBXWZMKPOCGX-DTORHVGOSA-N 1 2 361.236 3.079 20 30 FGEDLO FC1(F)[C@H]2C[N@@H+](Cc3cnccn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897053946 742636770 /nfs/dbraw/zinc/63/67/70/742636770.db2.gz DSIBXWZMKPOCGX-DTORHVGOSA-N 1 2 361.236 3.079 20 30 FGEDLO COc1c(Br)cccc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897599480 742694350 /nfs/dbraw/zinc/69/43/50/742694350.db2.gz MVVSMUXWVXUDFV-UHFFFAOYSA-N 1 2 366.255 3.295 20 30 FGEDLO S=C1N=NC(c2cccs2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917028515 758169054 /nfs/dbraw/zinc/16/90/54/758169054.db2.gz SBQBIGFGFFKOOG-UHFFFAOYSA-N 1 2 352.448 3.363 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917480 761005135 /nfs/dbraw/zinc/00/51/35/761005135.db2.gz DFBICYHIJZYTKD-IAQYHMDHSA-N 1 2 355.335 3.252 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917480 761005145 /nfs/dbraw/zinc/00/51/45/761005145.db2.gz DFBICYHIJZYTKD-IAQYHMDHSA-N 1 2 355.335 3.252 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358242 761144731 /nfs/dbraw/zinc/14/47/31/761144731.db2.gz KRRNNGDVZAPSEB-WMLDXEAASA-N 1 2 356.495 3.182 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129556 761325271 /nfs/dbraw/zinc/32/52/71/761325271.db2.gz KUFJDOSZLIQMAU-YJBOKZPZSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129556 761325280 /nfs/dbraw/zinc/32/52/80/761325280.db2.gz KUFJDOSZLIQMAU-YJBOKZPZSA-N 1 2 355.463 3.102 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000933651283 761446474 /nfs/dbraw/zinc/44/64/74/761446474.db2.gz GTLMPMHCWTZBGO-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C(Cl)=C\Cl ZINC000969037820 762850448 /nfs/dbraw/zinc/85/04/48/762850448.db2.gz MKOTWSKGGRRWCS-LUXPAOAYSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000969037820 762850456 /nfs/dbraw/zinc/85/04/56/762850456.db2.gz MKOTWSKGGRRWCS-LUXPAOAYSA-N 1 2 361.313 3.257 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001007987074 765631968 /nfs/dbraw/zinc/63/19/68/765631968.db2.gz BJFMMDHZTJKVSM-SLYNCCJLSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001007987074 765631971 /nfs/dbraw/zinc/63/19/71/765631971.db2.gz BJFMMDHZTJKVSM-SLYNCCJLSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001008558612 765675787 /nfs/dbraw/zinc/67/57/87/765675787.db2.gz KMPUQVDNALDACX-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001008558612 765675790 /nfs/dbraw/zinc/67/57/90/765675790.db2.gz KMPUQVDNALDACX-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001028192695 766118410 /nfs/dbraw/zinc/11/84/10/766118410.db2.gz JXKCQRFPRHUABH-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001028192695 766118413 /nfs/dbraw/zinc/11/84/13/766118413.db2.gz JXKCQRFPRHUABH-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001032042994 766193996 /nfs/dbraw/zinc/19/39/96/766193996.db2.gz QQIGGJNWNNXXLK-MOPGFXCFSA-N 1 2 362.901 3.263 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(Cl)c1 ZINC001032410044 766195699 /nfs/dbraw/zinc/19/56/99/766195699.db2.gz NWBRTPBNSTUJAP-OKYOBFRVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(Cl)c1 ZINC001032410044 766195700 /nfs/dbraw/zinc/19/57/00/766195700.db2.gz NWBRTPBNSTUJAP-OKYOBFRVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001033431070 766215099 /nfs/dbraw/zinc/21/50/99/766215099.db2.gz AMDLIBDMKBNVNB-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001033431070 766215102 /nfs/dbraw/zinc/21/51/02/766215102.db2.gz AMDLIBDMKBNVNB-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)s1 ZINC001038789855 766284605 /nfs/dbraw/zinc/28/46/05/766284605.db2.gz CSMSQNPWEPLAMZ-KBRIMQKVSA-N 1 2 371.531 3.484 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)s1 ZINC001038789855 766284610 /nfs/dbraw/zinc/28/46/10/766284610.db2.gz CSMSQNPWEPLAMZ-KBRIMQKVSA-N 1 2 371.531 3.484 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707050 766803943 /nfs/dbraw/zinc/80/39/43/766803943.db2.gz BVFMJUJJONXVFK-KLHDSHLOSA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707050 766803953 /nfs/dbraw/zinc/80/39/53/766803953.db2.gz BVFMJUJJONXVFK-KLHDSHLOSA-N 1 2 355.320 3.397 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)n1C ZINC000328654963 529944241 /nfs/dbraw/zinc/94/42/41/529944241.db2.gz XWPVTBJJUSFONX-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)n1C ZINC000328654963 529944242 /nfs/dbraw/zinc/94/42/42/529944242.db2.gz XWPVTBJJUSFONX-SFHVURJKSA-N 1 2 354.429 3.123 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000071952586 136141427 /nfs/dbraw/zinc/14/14/27/136141427.db2.gz FVRNOARQDVOESS-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000570751142 505572005 /nfs/dbraw/zinc/57/20/05/505572005.db2.gz ZGJVBJMWKXCCDF-INIZCTEOSA-N 1 2 360.417 3.476 20 30 FGEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989428 505591388 /nfs/dbraw/zinc/59/13/88/505591388.db2.gz FZQSWPDAUGOEJZ-ZJWNCGCPSA-N 1 2 357.435 3.397 20 30 FGEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989428 505591390 /nfs/dbraw/zinc/59/13/90/505591390.db2.gz FZQSWPDAUGOEJZ-ZJWNCGCPSA-N 1 2 357.435 3.397 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000579907428 505642947 /nfs/dbraw/zinc/64/29/47/505642947.db2.gz JIAHFEOIRUCAMS-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO N#CCSCCC[N@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595762533 507673472 /nfs/dbraw/zinc/67/34/72/507673472.db2.gz ZOKIWTPSXIUZAH-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595762533 507673476 /nfs/dbraw/zinc/67/34/76/507673476.db2.gz ZOKIWTPSXIUZAH-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000080792789 493779655 /nfs/dbraw/zinc/77/96/55/493779655.db2.gz ZBDOBNPGSBANJY-IBGZPJMESA-N 1 2 369.465 3.104 20 30 FGEDLO O=C(NCC#Cc1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048415386 493827267 /nfs/dbraw/zinc/82/72/67/493827267.db2.gz LFNOFSTXSYMMHT-UHFFFAOYSA-N 1 2 362.477 3.313 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c(C#N)c1C ZINC000571222415 505683217 /nfs/dbraw/zinc/68/32/17/505683217.db2.gz DIXYFONSCMSKQH-HNNXBMFYSA-N 1 2 354.479 3.368 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c(C#N)c1C ZINC000571222415 505683220 /nfs/dbraw/zinc/68/32/20/505683220.db2.gz DIXYFONSCMSKQH-HNNXBMFYSA-N 1 2 354.479 3.368 20 30 FGEDLO CCc1cc(N2CCN(c3ccccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068696821 493859528 /nfs/dbraw/zinc/85/95/28/493859528.db2.gz YYMXUAJKVVJHDF-UHFFFAOYSA-N 1 2 370.460 3.299 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3cccc(Cl)c3)CC2)cc1 ZINC000058772932 493883958 /nfs/dbraw/zinc/88/39/58/493883958.db2.gz XKVKSWOPISYPGR-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513134 493907723 /nfs/dbraw/zinc/90/77/23/493907723.db2.gz GQNLUILKWNONKQ-IBGZPJMESA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513134 493907727 /nfs/dbraw/zinc/90/77/27/493907727.db2.gz GQNLUILKWNONKQ-IBGZPJMESA-N 1 2 370.474 3.178 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(Cl)c1 ZINC000580152787 505689261 /nfs/dbraw/zinc/68/92/61/505689261.db2.gz JRXAVZJRIUNGPI-UHFFFAOYSA-N 1 2 351.841 3.410 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c(Cl)c1 ZINC000580152787 505689264 /nfs/dbraw/zinc/68/92/64/505689264.db2.gz JRXAVZJRIUNGPI-UHFFFAOYSA-N 1 2 351.841 3.410 20 30 FGEDLO C=CC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1cccs1 ZINC000051262354 493957205 /nfs/dbraw/zinc/95/72/05/493957205.db2.gz RFBCPIUAKSYPMN-GOSISDBHSA-N 1 2 369.534 3.379 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1cccs1 ZINC000051262354 493957210 /nfs/dbraw/zinc/95/72/10/493957210.db2.gz RFBCPIUAKSYPMN-GOSISDBHSA-N 1 2 369.534 3.379 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000076722206 493957723 /nfs/dbraw/zinc/95/77/23/493957723.db2.gz YPZIHGAMGTYXEM-OAHLLOKOSA-N 1 2 371.510 3.220 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000076722206 493957729 /nfs/dbraw/zinc/95/77/29/493957729.db2.gz YPZIHGAMGTYXEM-OAHLLOKOSA-N 1 2 371.510 3.220 20 30 FGEDLO N#Cc1csc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000084188686 494054988 /nfs/dbraw/zinc/05/49/88/494054988.db2.gz FMFRFMITXWXFJU-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1csc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000084188686 494054993 /nfs/dbraw/zinc/05/49/93/494054993.db2.gz FMFRFMITXWXFJU-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754446 494083769 /nfs/dbraw/zinc/08/37/69/494083769.db2.gz JQXLTEGWXSVXGV-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754446 494083772 /nfs/dbraw/zinc/08/37/72/494083772.db2.gz JQXLTEGWXSVXGV-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000053551367 494146691 /nfs/dbraw/zinc/14/66/91/494146691.db2.gz JFNVXAPKPCEYNL-SFHVURJKSA-N 1 2 362.477 3.189 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1OC ZINC000041789913 494178119 /nfs/dbraw/zinc/17/81/19/494178119.db2.gz QIVSHEGPCGAOPV-UHFFFAOYSA-N 1 2 371.824 3.491 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000054009762 494185132 /nfs/dbraw/zinc/18/51/32/494185132.db2.gz QCNTVEBBFJXRLN-GOSISDBHSA-N 1 2 372.469 3.134 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077982238 494209553 /nfs/dbraw/zinc/20/95/53/494209553.db2.gz VXFHOAJZXUNVDW-HXUWFJFHSA-N 1 2 364.449 3.367 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077982238 494209554 /nfs/dbraw/zinc/20/95/54/494209554.db2.gz VXFHOAJZXUNVDW-HXUWFJFHSA-N 1 2 364.449 3.367 20 30 FGEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000065588804 494216181 /nfs/dbraw/zinc/21/61/81/494216181.db2.gz FNULEWCWGYKAMA-MAUKXSAKSA-N 1 2 354.454 3.023 20 30 FGEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000065588804 494216183 /nfs/dbraw/zinc/21/61/83/494216183.db2.gz FNULEWCWGYKAMA-MAUKXSAKSA-N 1 2 354.454 3.023 20 30 FGEDLO C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054342287 494223256 /nfs/dbraw/zinc/22/32/56/494223256.db2.gz TUGODSBJNZCBHZ-UHFFFAOYSA-N 1 2 355.265 3.190 20 30 FGEDLO CCO[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000072935699 494285814 /nfs/dbraw/zinc/28/58/14/494285814.db2.gz UKVWHNYBZFVKQE-OAQYLSRUSA-N 1 2 367.493 3.108 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3scnc3C3CC3)CC2)cc1 ZINC000089642066 494337344 /nfs/dbraw/zinc/33/73/44/494337344.db2.gz ADMVCRPHFNYXAE-UHFFFAOYSA-N 1 2 366.490 3.240 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3scnc3C3CC3)CC2)cc1 ZINC000089642066 494337346 /nfs/dbraw/zinc/33/73/46/494337346.db2.gz ADMVCRPHFNYXAE-UHFFFAOYSA-N 1 2 366.490 3.240 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045231966 494408385 /nfs/dbraw/zinc/40/83/85/494408385.db2.gz LEKZPIVQMNXEQW-IBGZPJMESA-N 1 2 359.433 3.223 20 30 FGEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000079372937 494442330 /nfs/dbraw/zinc/44/23/30/494442330.db2.gz SQLKLEWRKHMUHW-UHFFFAOYSA-N 1 2 370.415 3.332 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019480 494487584 /nfs/dbraw/zinc/48/75/84/494487584.db2.gz DXYHPRGYNVRYRE-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000046048086 494490158 /nfs/dbraw/zinc/49/01/58/494490158.db2.gz VZDLZPFYUVWUTF-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1OC ZINC000046527355 494535965 /nfs/dbraw/zinc/53/59/65/494535965.db2.gz KWDKSCGZHOAPBG-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1OC ZINC000046527355 494535971 /nfs/dbraw/zinc/53/59/71/494535971.db2.gz KWDKSCGZHOAPBG-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccccc1F ZINC000079889613 494544093 /nfs/dbraw/zinc/54/40/93/494544093.db2.gz YFYKBYBYYMJZIN-IBGZPJMESA-N 1 2 354.425 3.454 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccccc1F ZINC000079889613 494544096 /nfs/dbraw/zinc/54/40/96/494544096.db2.gz YFYKBYBYYMJZIN-IBGZPJMESA-N 1 2 354.425 3.454 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2sccc2C#N)o1 ZINC000126066261 494624399 /nfs/dbraw/zinc/62/43/99/494624399.db2.gz NQHDIYZPGYLXDW-HNNXBMFYSA-N 1 2 359.451 3.177 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2sccc2C#N)o1 ZINC000126066261 494624409 /nfs/dbraw/zinc/62/44/09/494624409.db2.gz NQHDIYZPGYLXDW-HNNXBMFYSA-N 1 2 359.451 3.177 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246501 494714184 /nfs/dbraw/zinc/71/41/84/494714184.db2.gz WKYWOIUYOFKENT-DYVFJYSZSA-N 1 2 371.403 3.460 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246501 494714198 /nfs/dbraw/zinc/71/41/98/494714198.db2.gz WKYWOIUYOFKENT-DYVFJYSZSA-N 1 2 371.403 3.460 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2cccs2)CC1 ZINC000121389949 494732880 /nfs/dbraw/zinc/73/28/80/494732880.db2.gz PSHRAXPDWPDRMJ-QGZVFWFLSA-N 1 2 368.506 3.205 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047593457 494740524 /nfs/dbraw/zinc/74/05/24/494740524.db2.gz FFJDCQVUVYFTFT-MRXNPFEDSA-N 1 2 371.506 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047593457 494740534 /nfs/dbraw/zinc/74/05/34/494740534.db2.gz FFJDCQVUVYFTFT-MRXNPFEDSA-N 1 2 371.506 3.222 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000126459934 494757928 /nfs/dbraw/zinc/75/79/28/494757928.db2.gz ARMYOQWJCQVQAV-KRWDZBQOSA-N 1 2 370.478 3.045 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000126459934 494757933 /nfs/dbraw/zinc/75/79/33/494757933.db2.gz ARMYOQWJCQVQAV-KRWDZBQOSA-N 1 2 370.478 3.045 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000092034208 494762324 /nfs/dbraw/zinc/76/23/24/494762324.db2.gz HJQQZAPFNOXFKH-UHFFFAOYSA-N 1 2 353.378 3.215 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532284 494786940 /nfs/dbraw/zinc/78/69/40/494786940.db2.gz QOKLQCLZHYLYST-WMZOPIPTSA-N 1 2 352.438 3.091 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000025948706 494792760 /nfs/dbraw/zinc/79/27/60/494792760.db2.gz UHMXGCZPPZMUNL-UHFFFAOYSA-N 1 2 363.364 3.440 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000025948706 494792765 /nfs/dbraw/zinc/79/27/65/494792765.db2.gz UHMXGCZPPZMUNL-UHFFFAOYSA-N 1 2 363.364 3.440 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1Cl ZINC000108970283 494813808 /nfs/dbraw/zinc/81/38/08/494813808.db2.gz HWNJINLNSRLFPF-KRWDZBQOSA-N 1 2 373.840 3.424 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1Cl ZINC000108970283 494813818 /nfs/dbraw/zinc/81/38/18/494813818.db2.gz HWNJINLNSRLFPF-KRWDZBQOSA-N 1 2 373.840 3.424 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCc2cn3ccccc3[nH+]2)c1C#N ZINC000027104397 494851741 /nfs/dbraw/zinc/85/17/41/494851741.db2.gz KFDMHAHJOLZHCF-UHFFFAOYSA-N 1 2 363.446 3.130 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000027738654 494882886 /nfs/dbraw/zinc/88/28/86/494882886.db2.gz KJEBDEDKKRMLAN-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000027738654 494882891 /nfs/dbraw/zinc/88/28/91/494882891.db2.gz KJEBDEDKKRMLAN-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO N#Cc1ccc(CCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109582305 494893615 /nfs/dbraw/zinc/89/36/15/494893615.db2.gz IAWVKRRZYOJZQH-UHFFFAOYSA-N 1 2 374.444 3.226 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354181 494912762 /nfs/dbraw/zinc/91/27/62/494912762.db2.gz QQGPXZJHNYVVLW-NSHDSACASA-N 1 2 358.326 3.392 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117354181 494912765 /nfs/dbraw/zinc/91/27/65/494912765.db2.gz QQGPXZJHNYVVLW-NSHDSACASA-N 1 2 358.326 3.392 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000110493247 494983199 /nfs/dbraw/zinc/98/31/99/494983199.db2.gz ISTDXXYNVUEHQM-UHFFFAOYSA-N 1 2 370.478 3.034 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000110493247 494983204 /nfs/dbraw/zinc/98/32/04/494983204.db2.gz ISTDXXYNVUEHQM-UHFFFAOYSA-N 1 2 370.478 3.034 20 30 FGEDLO Cc1cccn2cc(CNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)[nH+]c12 ZINC000110799966 495010376 /nfs/dbraw/zinc/01/03/76/495010376.db2.gz ZYAJUECIOJOFBJ-IBGZPJMESA-N 1 2 362.433 3.234 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981595 495028061 /nfs/dbraw/zinc/02/80/61/495028061.db2.gz MXMHPEZUYXPLLD-CABCVRRESA-N 1 2 352.425 3.027 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981595 495028065 /nfs/dbraw/zinc/02/80/65/495028065.db2.gz MXMHPEZUYXPLLD-CABCVRRESA-N 1 2 352.425 3.027 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000111029874 495031984 /nfs/dbraw/zinc/03/19/84/495031984.db2.gz PTZFFMZPZPBODR-UHFFFAOYSA-N 1 2 366.461 3.014 20 30 FGEDLO N#Cc1c(F)cccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000568714021 505759031 /nfs/dbraw/zinc/75/90/31/505759031.db2.gz YPGHNYYFRGMLRH-UHFFFAOYSA-N 1 2 369.465 3.134 20 30 FGEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000128525855 495110620 /nfs/dbraw/zinc/11/06/20/495110620.db2.gz KXAUJSWSNXNTQA-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000128525855 495110623 /nfs/dbraw/zinc/11/06/23/495110623.db2.gz KXAUJSWSNXNTQA-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)CC1 ZINC000111809008 495114437 /nfs/dbraw/zinc/11/44/37/495114437.db2.gz FBTUBUIIQPCJNS-GOSISDBHSA-N 1 2 354.454 3.126 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000103139600 495197611 /nfs/dbraw/zinc/19/76/11/495197611.db2.gz VJIAFOJSWRWYEB-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574427535 505770728 /nfs/dbraw/zinc/77/07/28/505770728.db2.gz VJFQIPQCIKOGSZ-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574427535 505770731 /nfs/dbraw/zinc/77/07/31/505770731.db2.gz VJFQIPQCIKOGSZ-MSOLQXFVSA-N 1 2 372.831 3.311 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129554435 495260991 /nfs/dbraw/zinc/26/09/91/495260991.db2.gz LBEICZUKHJZLFR-HOTGVXAUSA-N 1 2 369.490 3.292 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[nH]1 ZINC000130680263 495428442 /nfs/dbraw/zinc/42/84/42/495428442.db2.gz YRULCQJHKCRRIR-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[nH]1 ZINC000130680263 495428445 /nfs/dbraw/zinc/42/84/45/495428445.db2.gz YRULCQJHKCRRIR-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)c1 ZINC000580543360 505782429 /nfs/dbraw/zinc/78/24/29/505782429.db2.gz CFSIRBIRMLMZJF-UZLBHIALSA-N 1 2 367.474 3.213 20 30 FGEDLO Cc1cc(N2CCN(c3cccc(F)c3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000140940755 495500675 /nfs/dbraw/zinc/50/06/75/495500675.db2.gz LAJOZXNLFUSXJD-UHFFFAOYSA-N 1 2 374.423 3.184 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 ZINC000141814569 495510765 /nfs/dbraw/zinc/51/07/65/495510765.db2.gz LYTGKXSBJPEMTD-FQEVSTJZSA-N 1 2 367.449 3.207 20 30 FGEDLO N#CCCN(C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 ZINC000141814569 495510767 /nfs/dbraw/zinc/51/07/67/495510767.db2.gz LYTGKXSBJPEMTD-FQEVSTJZSA-N 1 2 367.449 3.207 20 30 FGEDLO N#CCC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)CC1CC1 ZINC000179453660 495597573 /nfs/dbraw/zinc/59/75/73/495597573.db2.gz FJFCXCZWFGTASO-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)CC1CC1 ZINC000179453660 495597578 /nfs/dbraw/zinc/59/75/78/495597578.db2.gz FJFCXCZWFGTASO-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccc2)s1 ZINC000154752205 495717032 /nfs/dbraw/zinc/71/70/32/495717032.db2.gz OHSASZGFWVYWBC-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2)s1 ZINC000154752205 495717038 /nfs/dbraw/zinc/71/70/38/495717038.db2.gz OHSASZGFWVYWBC-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2)s1 ZINC000154752205 495717041 /nfs/dbraw/zinc/71/70/41/495717041.db2.gz OHSASZGFWVYWBC-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cc1 ZINC000171118395 495732166 /nfs/dbraw/zinc/73/21/66/495732166.db2.gz OBZAMWMRMZBELE-UHFFFAOYSA-N 1 2 372.384 3.114 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171150428 495744825 /nfs/dbraw/zinc/74/48/25/495744825.db2.gz QVTBYXISDYBOFB-UHFFFAOYSA-N 1 2 363.425 3.017 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000179844988 495757071 /nfs/dbraw/zinc/75/70/71/495757071.db2.gz WZQGBYWGXLDPFX-UHFFFAOYSA-N 1 2 358.404 3.330 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000176712612 495758704 /nfs/dbraw/zinc/75/87/04/495758704.db2.gz OQGDOBIVMIUZLV-SFHVURJKSA-N 1 2 365.458 3.220 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000176712612 495758707 /nfs/dbraw/zinc/75/87/07/495758707.db2.gz OQGDOBIVMIUZLV-SFHVURJKSA-N 1 2 365.458 3.220 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171260774 495793406 /nfs/dbraw/zinc/79/34/06/495793406.db2.gz JMURYSPZLBLVKA-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171260774 495793408 /nfs/dbraw/zinc/79/34/08/495793408.db2.gz JMURYSPZLBLVKA-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179941650 495793893 /nfs/dbraw/zinc/79/38/93/495793893.db2.gz LEBIVNDISWFIBB-UHFFFAOYSA-N 1 2 359.433 3.029 20 30 FGEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179941650 495793904 /nfs/dbraw/zinc/79/39/04/495793904.db2.gz LEBIVNDISWFIBB-UHFFFAOYSA-N 1 2 359.433 3.029 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000151304382 495799745 /nfs/dbraw/zinc/79/97/45/495799745.db2.gz IDJHBJONFCXJLU-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000155284570 495903719 /nfs/dbraw/zinc/90/37/19/495903719.db2.gz ISMODZNTXUHIBZ-FQEVSTJZSA-N 1 2 350.422 3.286 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CCC(C)(C)C#N)c(C)c1 ZINC000568934635 505811737 /nfs/dbraw/zinc/81/17/37/505811737.db2.gz PUFBRWBQJCVVRK-GOSISDBHSA-N 1 2 374.510 3.101 20 30 FGEDLO Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000152355423 496124995 /nfs/dbraw/zinc/12/49/95/496124995.db2.gz OZKQBSPPSVJGQJ-MRXNPFEDSA-N 1 2 367.428 3.500 20 30 FGEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1C(F)(F)F ZINC000183920293 496161687 /nfs/dbraw/zinc/16/16/87/496161687.db2.gz UFMOOYQVEUTPOW-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180964169 496222623 /nfs/dbraw/zinc/22/26/23/496222623.db2.gz XMZSSWFDBIUAIY-CYBMUJFWSA-N 1 2 354.454 3.250 20 30 FGEDLO N#Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000161872369 496253923 /nfs/dbraw/zinc/25/39/23/496253923.db2.gz JDXICWOYZXIOKQ-INIZCTEOSA-N 1 2 358.423 3.013 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCOC4(C3)CCCCCC4)C2=O)cc1 ZINC000152805085 496261585 /nfs/dbraw/zinc/26/15/85/496261585.db2.gz XWUROFAOMGAJGR-IBGZPJMESA-N 1 2 353.466 3.089 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCOC4(C3)CCCCCC4)C2=O)cc1 ZINC000152805085 496261594 /nfs/dbraw/zinc/26/15/94/496261594.db2.gz XWUROFAOMGAJGR-IBGZPJMESA-N 1 2 353.466 3.089 20 30 FGEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569030781 505833650 /nfs/dbraw/zinc/83/36/50/505833650.db2.gz LYOZDFQAPMZOHZ-QGZVFWFLSA-N 1 2 361.449 3.349 20 30 FGEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569030781 505833655 /nfs/dbraw/zinc/83/36/55/505833655.db2.gz LYOZDFQAPMZOHZ-QGZVFWFLSA-N 1 2 361.449 3.349 20 30 FGEDLO CN(c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1)C1CC1 ZINC000156619022 496294227 /nfs/dbraw/zinc/29/42/27/496294227.db2.gz QMBGNMKCYSDZSM-UHFFFAOYSA-N 1 2 367.522 3.326 20 30 FGEDLO CN(c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1)C1CC1 ZINC000156619022 496294235 /nfs/dbraw/zinc/29/42/35/496294235.db2.gz QMBGNMKCYSDZSM-UHFFFAOYSA-N 1 2 367.522 3.326 20 30 FGEDLO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569063215 505842430 /nfs/dbraw/zinc/84/24/30/505842430.db2.gz LHRGFIHUEQGPKI-IERDGZPVSA-N 1 2 351.450 3.081 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1ccco1 ZINC000184514910 496419978 /nfs/dbraw/zinc/41/99/78/496419978.db2.gz ZPMVATIGEINHBG-GOSISDBHSA-N 1 2 355.438 3.120 20 30 FGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000187438179 496439750 /nfs/dbraw/zinc/43/97/50/496439750.db2.gz RUXJPYITLJOLAH-UHFFFAOYSA-N 1 2 354.454 3.126 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccco1 ZINC000184575500 496446555 /nfs/dbraw/zinc/44/65/55/496446555.db2.gz RBGMBPPFKMTVBU-KRWDZBQOSA-N 1 2 355.438 3.120 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000178548639 496495436 /nfs/dbraw/zinc/49/54/36/496495436.db2.gz UBSDVISPJPAILV-UHFFFAOYSA-N 1 2 364.449 3.021 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000571933574 505848930 /nfs/dbraw/zinc/84/89/30/505848930.db2.gz ARRMOEYLXUXSGP-IIBYNOLFSA-N 1 2 355.482 3.476 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000163617231 496538929 /nfs/dbraw/zinc/53/89/29/496538929.db2.gz SJVRABOHWMBKKC-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000163617231 496538931 /nfs/dbraw/zinc/53/89/31/496538931.db2.gz SJVRABOHWMBKKC-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000184807948 496540751 /nfs/dbraw/zinc/54/07/51/496540751.db2.gz DSVJDTHEQFDCJA-WBMJQRKESA-N 1 2 359.426 3.228 20 30 FGEDLO C=C[C@H](CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC000153856454 496603546 /nfs/dbraw/zinc/60/35/46/496603546.db2.gz YNFMXIOFCVQVMM-PKOBYXMFSA-N 1 2 365.477 3.283 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000164316499 496604479 /nfs/dbraw/zinc/60/44/79/496604479.db2.gz YMMQEZOASOGJCP-FUHWJXTLSA-N 1 2 351.454 3.142 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000164316499 496604484 /nfs/dbraw/zinc/60/44/84/496604484.db2.gz YMMQEZOASOGJCP-FUHWJXTLSA-N 1 2 351.454 3.142 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000187920354 496619224 /nfs/dbraw/zinc/61/92/24/496619224.db2.gz WDJYRMOHRMHQPV-UHFFFAOYSA-N 1 2 368.481 3.222 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC3(CCCC3)C2)c1C ZINC000158264782 496662943 /nfs/dbraw/zinc/66/29/43/496662943.db2.gz OOFXYLAYMCNMCL-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC3(CCCC3)C2)c1C ZINC000158264782 496662950 /nfs/dbraw/zinc/66/29/50/496662950.db2.gz OOFXYLAYMCNMCL-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO CN(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1(C#N)CCC1 ZINC000182222921 496712689 /nfs/dbraw/zinc/71/26/89/496712689.db2.gz BAFWPPGDVMRLKK-UHFFFAOYSA-N 1 2 364.449 3.061 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000569162088 505866667 /nfs/dbraw/zinc/86/66/67/505866667.db2.gz SKTZCRNSGHHYFC-DYVFJYSZSA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000569162088 505866670 /nfs/dbraw/zinc/86/66/70/505866670.db2.gz SKTZCRNSGHHYFC-DYVFJYSZSA-N 1 2 354.372 3.347 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000273418057 496800364 /nfs/dbraw/zinc/80/03/64/496800364.db2.gz RIPSOIFUURJXAD-UHFFFAOYSA-N 1 2 353.426 3.014 20 30 FGEDLO N#Cc1ccc(N2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)cc1 ZINC000580919582 505868552 /nfs/dbraw/zinc/86/85/52/505868552.db2.gz UEHHQCVFWGPFBD-UHFFFAOYSA-N 1 2 358.449 3.279 20 30 FGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000191825472 496902899 /nfs/dbraw/zinc/90/28/99/496902899.db2.gz LOULVZCLTUZYAU-LLVKDONJSA-N 1 2 356.227 3.214 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195403966 496914328 /nfs/dbraw/zinc/91/43/28/496914328.db2.gz IRWNDVRTXITNIN-ROUUACIJSA-N 1 2 371.481 3.498 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195403966 496914334 /nfs/dbraw/zinc/91/43/34/496914334.db2.gz IRWNDVRTXITNIN-ROUUACIJSA-N 1 2 371.481 3.498 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1F ZINC000192083614 496989760 /nfs/dbraw/zinc/98/97/60/496989760.db2.gz LGEXVBUEGDBMTL-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000269696598 496990522 /nfs/dbraw/zinc/99/05/22/496990522.db2.gz XKMKWTCWLOENHF-FOIQADDNSA-N 1 2 370.884 3.422 20 30 FGEDLO CC(C)c1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000192244676 497047348 /nfs/dbraw/zinc/04/73/48/497047348.db2.gz TUGQBBWXNVUFTQ-MRXNPFEDSA-N 1 2 354.479 3.029 20 30 FGEDLO COc1ccccc1-c1nc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)no1 ZINC000192339137 497078912 /nfs/dbraw/zinc/07/89/12/497078912.db2.gz ZOTSVVTUXCHAJI-HNNXBMFYSA-N 1 2 365.437 3.368 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000574919835 505883430 /nfs/dbraw/zinc/88/34/30/505883430.db2.gz NODPSUZDVNSNLB-DYVFJYSZSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000574919835 505883433 /nfs/dbraw/zinc/88/34/33/505883433.db2.gz NODPSUZDVNSNLB-DYVFJYSZSA-N 1 2 359.426 3.409 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)cc(Cl)c2O)CC1 ZINC000270626675 497164817 /nfs/dbraw/zinc/16/48/17/497164817.db2.gz FQTDLUBAMDRZKB-UHFFFAOYSA-N 1 2 371.662 3.092 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000249133042 497172504 /nfs/dbraw/zinc/17/25/04/497172504.db2.gz YIKIDJYWVCYXKO-BJJXKVORSA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000249133042 497172508 /nfs/dbraw/zinc/17/25/08/497172508.db2.gz YIKIDJYWVCYXKO-BJJXKVORSA-N 1 2 363.255 3.094 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249831289 497251559 /nfs/dbraw/zinc/25/15/59/497251559.db2.gz OPSTWVFQQQZIQU-YVEFUNNKSA-N 1 2 364.287 3.250 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249831289 497251564 /nfs/dbraw/zinc/25/15/64/497251564.db2.gz OPSTWVFQQQZIQU-YVEFUNNKSA-N 1 2 364.287 3.250 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250739629 497269164 /nfs/dbraw/zinc/26/91/64/497269164.db2.gz PPHLRGUVVHEUNF-DLBZAZTESA-N 1 2 369.868 3.068 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250739629 497269169 /nfs/dbraw/zinc/26/91/69/497269169.db2.gz PPHLRGUVVHEUNF-DLBZAZTESA-N 1 2 369.868 3.068 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccccc1OC ZINC000193066810 497292388 /nfs/dbraw/zinc/29/23/88/497292388.db2.gz KPZLDPGNWGPATI-UHFFFAOYSA-N 1 2 353.451 3.409 20 30 FGEDLO CCc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)[nH+]1 ZINC000279140340 497347105 /nfs/dbraw/zinc/34/71/05/497347105.db2.gz YBCPCBOCYYOXDL-UHFFFAOYSA-N 1 2 373.507 3.164 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190159084 497380832 /nfs/dbraw/zinc/38/08/32/497380832.db2.gz QSJWJXNMZWIUEI-DLBZAZTESA-N 1 2 373.453 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190159084 497380837 /nfs/dbraw/zinc/38/08/37/497380837.db2.gz QSJWJXNMZWIUEI-DLBZAZTESA-N 1 2 373.453 3.304 20 30 FGEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000245468679 497421934 /nfs/dbraw/zinc/42/19/34/497421934.db2.gz TZUQRLUSNIXYIE-IEBWSBKVSA-N 1 2 369.852 3.265 20 30 FGEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000245468679 497421940 /nfs/dbraw/zinc/42/19/40/497421940.db2.gz TZUQRLUSNIXYIE-IEBWSBKVSA-N 1 2 369.852 3.265 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000193621966 497430973 /nfs/dbraw/zinc/43/09/73/497430973.db2.gz QNDDYDVNHVNTEJ-INIZCTEOSA-N 1 2 358.388 3.241 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000193621966 497430979 /nfs/dbraw/zinc/43/09/79/497430979.db2.gz QNDDYDVNHVNTEJ-INIZCTEOSA-N 1 2 358.388 3.241 20 30 FGEDLO N#CC(CC[N@@H+]1CCOC[C@@]12CCOC2)(c1ccccc1)c1ccccc1 ZINC000193740426 497464949 /nfs/dbraw/zinc/46/49/49/497464949.db2.gz CTKPYROFKKMIND-QFIPXVFZSA-N 1 2 362.473 3.378 20 30 FGEDLO N#CC(CC[N@H+]1CCOC[C@@]12CCOC2)(c1ccccc1)c1ccccc1 ZINC000193740426 497464957 /nfs/dbraw/zinc/46/49/57/497464957.db2.gz CTKPYROFKKMIND-QFIPXVFZSA-N 1 2 362.473 3.378 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000276263863 497531480 /nfs/dbraw/zinc/53/14/80/497531480.db2.gz QDBSKHKLOPQGQZ-JOCHJYFZSA-N 1 2 367.493 3.239 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000245928614 497575115 /nfs/dbraw/zinc/57/51/15/497575115.db2.gz YBGDKUMZROPDCG-CJNGLKHVSA-N 1 2 351.397 3.265 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000245928614 497575119 /nfs/dbraw/zinc/57/51/19/497575119.db2.gz YBGDKUMZROPDCG-CJNGLKHVSA-N 1 2 351.397 3.265 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000267709923 497603604 /nfs/dbraw/zinc/60/36/04/497603604.db2.gz SFNKVQHYFPVFIJ-NRFANRHFSA-N 1 2 364.445 3.454 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000246084576 497615637 /nfs/dbraw/zinc/61/56/37/497615637.db2.gz CDYWUZKJKQFZHY-FGTMMUONSA-N 1 2 353.384 3.325 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000246084576 497615642 /nfs/dbraw/zinc/61/56/42/497615642.db2.gz CDYWUZKJKQFZHY-FGTMMUONSA-N 1 2 353.384 3.325 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000246118094 497627841 /nfs/dbraw/zinc/62/78/41/497627841.db2.gz KMTFMLZFGNLHLW-OXQOHEQNSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000246118094 497627844 /nfs/dbraw/zinc/62/78/44/497627844.db2.gz KMTFMLZFGNLHLW-OXQOHEQNSA-N 1 2 372.852 3.025 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000272499856 497645190 /nfs/dbraw/zinc/64/51/90/497645190.db2.gz VLUXEKBRDDXLEQ-UHFFFAOYSA-N 1 2 369.465 3.374 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000280161091 497667704 /nfs/dbraw/zinc/66/77/04/497667704.db2.gz BZNRCKQULIOZAR-SJLPKXTDSA-N 1 2 358.461 3.091 20 30 FGEDLO C=CCSCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000194489712 497684696 /nfs/dbraw/zinc/68/46/96/497684696.db2.gz HZFUNYILHXOBDP-UHFFFAOYSA-N 1 2 355.507 3.262 20 30 FGEDLO C=CCSCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000194489712 497684701 /nfs/dbraw/zinc/68/47/01/497684701.db2.gz HZFUNYILHXOBDP-UHFFFAOYSA-N 1 2 355.507 3.262 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000268453542 497755353 /nfs/dbraw/zinc/75/53/53/497755353.db2.gz BHIYQZULNIZSBN-GFCCVEGCSA-N 1 2 371.466 3.245 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000268453542 497755360 /nfs/dbraw/zinc/75/53/60/497755360.db2.gz BHIYQZULNIZSBN-GFCCVEGCSA-N 1 2 371.466 3.245 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000246541307 497767880 /nfs/dbraw/zinc/76/78/80/497767880.db2.gz GKZGWWKPQVHVHY-ROUUACIJSA-N 1 2 366.490 3.302 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000246541307 497767885 /nfs/dbraw/zinc/76/78/85/497767885.db2.gz GKZGWWKPQVHVHY-ROUUACIJSA-N 1 2 366.490 3.302 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3nccs3)C2)C1=O ZINC000246560429 497774219 /nfs/dbraw/zinc/77/42/19/497774219.db2.gz URVIQQMPWQQMSE-KGLIPLIRSA-N 1 2 358.492 3.061 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nccs3)C2)C1=O ZINC000246560429 497774223 /nfs/dbraw/zinc/77/42/23/497774223.db2.gz URVIQQMPWQQMSE-KGLIPLIRSA-N 1 2 358.492 3.061 20 30 FGEDLO O=C(NCc1nc2ccccc2n1C1CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329545222 497824658 /nfs/dbraw/zinc/82/46/58/497824658.db2.gz ZGLRQELYBODGRB-UHFFFAOYSA-N 1 2 364.453 3.388 20 30 FGEDLO O=C(NCc1nc2ccccc2n1C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329545222 497824665 /nfs/dbraw/zinc/82/46/65/497824665.db2.gz ZGLRQELYBODGRB-UHFFFAOYSA-N 1 2 364.453 3.388 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000288559440 497831453 /nfs/dbraw/zinc/83/14/53/497831453.db2.gz VTZZOZQNLMXWET-LPHOPBHVSA-N 1 2 354.454 3.241 20 30 FGEDLO CN1CCc2ccc(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000329636443 497852487 /nfs/dbraw/zinc/85/24/87/497852487.db2.gz YDOWDTRCQKMNHG-MRXNPFEDSA-N 1 2 352.482 3.493 20 30 FGEDLO Cc1cc(NC(=O)c2cnc3n[nH]nc3c2)c[nH+]c1N1CCCC[C@H]1C ZINC000329665882 497862057 /nfs/dbraw/zinc/86/20/57/497862057.db2.gz KQOUHGIQYBTTPN-GFCCVEGCSA-N 1 2 351.414 3.071 20 30 FGEDLO C#CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000364254691 497863936 /nfs/dbraw/zinc/86/39/36/497863936.db2.gz GJVIXHHHZPQSAK-IBGZPJMESA-N 1 2 363.392 3.091 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(F)[C@H](C)C1)C1CCOCC1 ZINC000329744485 497887226 /nfs/dbraw/zinc/88/72/26/497887226.db2.gz XTYPKFNEJPCXDX-UKRRQHHQSA-N 1 2 370.444 3.262 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000329809511 497909902 /nfs/dbraw/zinc/90/99/02/497909902.db2.gz MEIWRLCNBDCKPX-OAHLLOKOSA-N 1 2 363.527 3.490 20 30 FGEDLO Cc1nn(C(C)C)cc1CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329811759 497910708 /nfs/dbraw/zinc/91/07/08/497910708.db2.gz CBNDWJFOTAOWBJ-KRWDZBQOSA-N 1 2 361.534 3.178 20 30 FGEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329811759 497910715 /nfs/dbraw/zinc/91/07/15/497910715.db2.gz CBNDWJFOTAOWBJ-KRWDZBQOSA-N 1 2 361.534 3.178 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc3c(c1)N(C)CC3)C2 ZINC000329851058 497927637 /nfs/dbraw/zinc/92/76/37/497927637.db2.gz QLUDIPSXACBJPH-UHFFFAOYSA-N 1 2 353.470 3.140 20 30 FGEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000329858440 497930457 /nfs/dbraw/zinc/93/04/57/497930457.db2.gz OAUSWJPQEIMMHZ-AEFFLSMTSA-N 1 2 356.495 3.014 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)c1 ZINC000329918336 497952717 /nfs/dbraw/zinc/95/27/17/497952717.db2.gz RDHZFDUBDOGVAF-WMZOPIPTSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCN(C)[C@H](c3nccn3C)C2)c1 ZINC000329918336 497952725 /nfs/dbraw/zinc/95/27/25/497952725.db2.gz RDHZFDUBDOGVAF-WMZOPIPTSA-N 1 2 355.486 3.002 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CCO2 ZINC000329924131 497954910 /nfs/dbraw/zinc/95/49/10/497954910.db2.gz HKWHZBSNHCBGFR-JTSKRJEESA-N 1 2 374.525 3.363 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CCO2 ZINC000329924131 497954911 /nfs/dbraw/zinc/95/49/11/497954911.db2.gz HKWHZBSNHCBGFR-JTSKRJEESA-N 1 2 374.525 3.363 20 30 FGEDLO CCC1(CC)CCC(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000329926605 497955284 /nfs/dbraw/zinc/95/52/84/497955284.db2.gz KVAUOGIUAWDETH-KRWDZBQOSA-N 1 2 361.534 3.372 20 30 FGEDLO CN(C)c1cccc([C@@H]2CCCN2C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000329936154 497959769 /nfs/dbraw/zinc/95/97/69/497959769.db2.gz CXGBDMXKDQTOMK-APWZRJJASA-N 1 2 367.497 3.263 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296264643 497976871 /nfs/dbraw/zinc/97/68/71/497976871.db2.gz AZFBDFDFZUFHMR-INIZCTEOSA-N 1 2 353.426 3.305 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000329982339 497978782 /nfs/dbraw/zinc/97/87/82/497978782.db2.gz AFEPRUPKCXYIEE-HXUWFJFHSA-N 1 2 356.470 3.322 20 30 FGEDLO CCN1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329989962 497982126 /nfs/dbraw/zinc/98/21/26/497982126.db2.gz INQYRFKQWYUOJX-PKOBYXMFSA-N 1 2 367.497 3.122 20 30 FGEDLO N#Cc1nc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)ccc1Cl ZINC000301167890 497982207 /nfs/dbraw/zinc/98/22/07/497982207.db2.gz ILVHXVQMFOEZIN-KRWDZBQOSA-N 1 2 360.820 3.231 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)ccc2n1 ZINC000330010221 497988632 /nfs/dbraw/zinc/98/86/32/497988632.db2.gz HWIMIFWXZGDRQF-GJZGRUSLSA-N 1 2 359.474 3.052 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Cc1csc3nccn13)C2 ZINC000330050497 498003799 /nfs/dbraw/zinc/00/37/99/498003799.db2.gz LVFXHIIUNBNFBF-LBPRGKRZSA-N 1 2 357.483 3.404 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000285167840 498011273 /nfs/dbraw/zinc/01/12/73/498011273.db2.gz YTGVLVHOSHYZOC-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N3CCOC4(C3)CCCCCC4)[nH+]c2c1 ZINC000330094145 498018872 /nfs/dbraw/zinc/01/88/72/498018872.db2.gz SMGFEFDCNMHQML-UHFFFAOYSA-N 1 2 356.470 3.482 20 30 FGEDLO O=C(C[N@@H+]1CCOC2(CCCC2)C1)NCCOc1ccc(Cl)cc1 ZINC000330122786 498029738 /nfs/dbraw/zinc/02/97/38/498029738.db2.gz KLNYHPYAWCRUOD-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO O=C(C[N@H+]1CCOC2(CCCC2)C1)NCCOc1ccc(Cl)cc1 ZINC000330122786 498029744 /nfs/dbraw/zinc/02/97/44/498029744.db2.gz KLNYHPYAWCRUOD-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@]2(CCCOC2)O1 ZINC000330131862 498032901 /nfs/dbraw/zinc/03/29/01/498032901.db2.gz PYZJCZJKFCNWIZ-HBGVWJBISA-N 1 2 358.482 3.364 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@]2(CCCOC2)O1 ZINC000330131862 498032905 /nfs/dbraw/zinc/03/29/05/498032905.db2.gz PYZJCZJKFCNWIZ-HBGVWJBISA-N 1 2 358.482 3.364 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330143663 498037598 /nfs/dbraw/zinc/03/75/98/498037598.db2.gz ZBDLJQGZKUTYLK-SJCJKPOMSA-N 1 2 356.825 3.337 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330143663 498037606 /nfs/dbraw/zinc/03/76/06/498037606.db2.gz ZBDLJQGZKUTYLK-SJCJKPOMSA-N 1 2 356.825 3.337 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)c1 ZINC000289156122 498038135 /nfs/dbraw/zinc/03/81/35/498038135.db2.gz QRSIZFZBUSSKHO-UHFFFAOYSA-N 1 2 371.462 3.104 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000330145622 498039577 /nfs/dbraw/zinc/03/95/77/498039577.db2.gz SJDBCPOINKFQLI-ZDUSSCGKSA-N 1 2 360.433 3.377 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330161941 498045105 /nfs/dbraw/zinc/04/51/05/498045105.db2.gz UGFAMUNKWDGQID-YFCNUHHJSA-N 1 2 362.514 3.180 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330161941 498045110 /nfs/dbraw/zinc/04/51/10/498045110.db2.gz UGFAMUNKWDGQID-YFCNUHHJSA-N 1 2 362.514 3.180 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000301332072 498060353 /nfs/dbraw/zinc/06/03/53/498060353.db2.gz FADBBRBDNFTTCB-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[C@]1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCOC1 ZINC000330223943 498068884 /nfs/dbraw/zinc/06/88/84/498068884.db2.gz NJJZSBADDIQBQJ-QWFCFKBJSA-N 1 2 354.454 3.042 20 30 FGEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCOC1 ZINC000330223943 498068888 /nfs/dbraw/zinc/06/88/88/498068888.db2.gz NJJZSBADDIQBQJ-QWFCFKBJSA-N 1 2 354.454 3.042 20 30 FGEDLO Cc1ccc([C@H](CNc2c(C#N)cnc3ccccc32)[NH+]2CCOCC2)o1 ZINC000301378876 498082611 /nfs/dbraw/zinc/08/26/11/498082611.db2.gz ZBQJINCMSNQJPT-IBGZPJMESA-N 1 2 362.433 3.493 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCCNC2=O)[NH+]2CCOCC2)s1 ZINC000330322227 498104247 /nfs/dbraw/zinc/10/42/47/498104247.db2.gz SKLNGXYFSLVLIX-KSSFIOAISA-N 1 2 365.499 3.143 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330346081 498113326 /nfs/dbraw/zinc/11/33/26/498113326.db2.gz FZIYOKVOUCDNAA-QGZVFWFLSA-N 1 2 355.486 3.459 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330350492 498114202 /nfs/dbraw/zinc/11/42/02/498114202.db2.gz LEFPCVHQWWRDCH-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364728112 498115646 /nfs/dbraw/zinc/11/56/46/498115646.db2.gz JARHOTMFNBFIGE-QGZVFWFLSA-N 1 2 354.454 3.084 20 30 FGEDLO CC(C)N(C)c1cccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330358383 498117700 /nfs/dbraw/zinc/11/77/00/498117700.db2.gz UTLSOSONLZSFRZ-QFBILLFUSA-N 1 2 371.485 3.320 20 30 FGEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)S1 ZINC000301512187 498142713 /nfs/dbraw/zinc/14/27/13/498142713.db2.gz FNTPIBPYWOPWJN-NSHDSACASA-N 1 2 354.401 3.190 20 30 FGEDLO COC(=O)C(C)(C)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330783727 498192551 /nfs/dbraw/zinc/19/25/51/498192551.db2.gz QTKQMKYZXDNIBH-CQSZACIVSA-N 1 2 362.474 3.294 20 30 FGEDLO CCOc1c(Cl)cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Cl ZINC000331004923 498234497 /nfs/dbraw/zinc/23/44/97/498234497.db2.gz SANHEFAVNHLAEO-NSHDSACASA-N 1 2 362.257 3.049 20 30 FGEDLO CCOc1c(Cl)cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000331004923 498234502 /nfs/dbraw/zinc/23/45/02/498234502.db2.gz SANHEFAVNHLAEO-NSHDSACASA-N 1 2 362.257 3.049 20 30 FGEDLO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000289690798 498249814 /nfs/dbraw/zinc/24/98/14/498249814.db2.gz IDHRHJCEQUGZRY-CBAPKCEASA-N 1 2 365.065 3.115 20 30 FGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000293404116 498372526 /nfs/dbraw/zinc/37/25/26/498372526.db2.gz HSMDRHNJUZAYQW-STQMWFEESA-N 1 2 352.265 3.443 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290011505 498393877 /nfs/dbraw/zinc/39/38/77/498393877.db2.gz ZUULSLJLHYEDNS-UHFFFAOYSA-N 1 2 355.295 3.120 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3C(C)=O)CC2)cc1 ZINC000302080290 498397931 /nfs/dbraw/zinc/39/79/31/498397931.db2.gz BQMUJSPKXAJTGI-UHFFFAOYSA-N 1 2 363.461 3.482 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c1C#N ZINC000331645327 498406271 /nfs/dbraw/zinc/40/62/71/498406271.db2.gz STJOEANDLOPQOC-ZDUSSCGKSA-N 1 2 360.527 3.468 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c1C#N ZINC000331645327 498406275 /nfs/dbraw/zinc/40/62/75/498406275.db2.gz STJOEANDLOPQOC-ZDUSSCGKSA-N 1 2 360.527 3.468 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000302191133 498435511 /nfs/dbraw/zinc/43/55/11/498435511.db2.gz BMHKBEMODOYVLY-INIZCTEOSA-N 1 2 358.423 3.013 20 30 FGEDLO C#CCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282278126 498449435 /nfs/dbraw/zinc/44/94/35/498449435.db2.gz KOPCEFWCCKPPMK-SFHVURJKSA-N 1 2 363.461 3.251 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C#N)cc1Br ZINC000365407006 498450692 /nfs/dbraw/zinc/45/06/92/498450692.db2.gz YDIFAGOSOFHMMU-UHFFFAOYSA-N 1 2 359.271 3.486 20 30 FGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000362305335 498491706 /nfs/dbraw/zinc/49/17/06/498491706.db2.gz KJSCEFZHCZJYHQ-UHFFFAOYSA-N 1 2 372.436 3.455 20 30 FGEDLO C#CC[N@H+](Cc1cncnc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000362651869 498531697 /nfs/dbraw/zinc/53/16/97/498531697.db2.gz BASNDYBNTBQSIK-INIZCTEOSA-N 1 2 358.239 3.198 20 30 FGEDLO C#CC[N@@H+](Cc1cncnc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000362651869 498531704 /nfs/dbraw/zinc/53/17/04/498531704.db2.gz BASNDYBNTBQSIK-INIZCTEOSA-N 1 2 358.239 3.198 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)c2)cc[nH+]1 ZINC000581752998 506060402 /nfs/dbraw/zinc/06/04/02/506060402.db2.gz CZHMFHCCMSMZRE-YCRPNKLZSA-N 1 2 363.465 3.021 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(C)n(-c3ccc(C#N)cc3)c1C)C2 ZINC000363013386 498603902 /nfs/dbraw/zinc/60/39/02/498603902.db2.gz AMVNZVJSAATSFS-GOSISDBHSA-N 1 2 373.460 3.216 20 30 FGEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000282697909 498616104 /nfs/dbraw/zinc/61/61/04/498616104.db2.gz URQMGJNWGFFWFZ-AWEZNQCLSA-N 1 2 358.515 3.071 20 30 FGEDLO CCCc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cnn1-c1cccc(C#N)c1 ZINC000581888438 506084017 /nfs/dbraw/zinc/08/40/17/506084017.db2.gz GKAAYEYJUKMKGC-OAHLLOKOSA-N 1 2 362.437 3.483 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1 ZINC000366022111 498738919 /nfs/dbraw/zinc/73/89/19/498738919.db2.gz CNGIWGIYJIXNJQ-CYBMUJFWSA-N 1 2 352.369 3.456 20 30 FGEDLO COc1cc(OC)cc(C2(O)CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000366121189 498785427 /nfs/dbraw/zinc/78/54/27/498785427.db2.gz WIBNDSYUVVJPCS-UHFFFAOYSA-N 1 2 370.424 3.198 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287614699 498814451 /nfs/dbraw/zinc/81/44/51/498814451.db2.gz ZLRSAHHDRIRVJS-QZTJIDSGSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287614699 498814455 /nfs/dbraw/zinc/81/44/55/498814455.db2.gz ZLRSAHHDRIRVJS-QZTJIDSGSA-N 1 2 368.437 3.399 20 30 FGEDLO Cn1cc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(-c2ccc(C#N)cc2)n1 ZINC000294859954 498830606 /nfs/dbraw/zinc/83/06/06/498830606.db2.gz SYOZGIHDLUYQGJ-LJQANCHMSA-N 1 2 360.465 3.275 20 30 FGEDLO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC000363476147 498840082 /nfs/dbraw/zinc/84/00/82/498840082.db2.gz SOBWABLMJOISBM-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO N#Cc1cc(NCc2ccc(N3CCCCCC3)[nH+]c2)cc(N)c1[N+](=O)[O-] ZINC000283417719 498879730 /nfs/dbraw/zinc/87/97/30/498879730.db2.gz BIYIJAAGLKDHJQ-UHFFFAOYSA-N 1 2 366.425 3.436 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCN(c3ccccc3)C1)CCC2 ZINC000328644013 498887116 /nfs/dbraw/zinc/88/71/16/498887116.db2.gz FSBNAGPCOTVSPP-ROUUACIJSA-N 1 2 367.497 3.099 20 30 FGEDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366380580 498901369 /nfs/dbraw/zinc/90/13/69/498901369.db2.gz OVJANPKRTKYLTB-ZDUSSCGKSA-N 1 2 365.462 3.225 20 30 FGEDLO O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328733518 498919237 /nfs/dbraw/zinc/91/92/37/498919237.db2.gz YCCPDMAENRRSNQ-KXBFYZLASA-N 1 2 359.857 3.457 20 30 FGEDLO CC[C@@H](C(=O)NCc1cccc2c1OCCCO2)[N@@H+]1CCO[C@H](CC)C1 ZINC000328765731 498931566 /nfs/dbraw/zinc/93/15/66/498931566.db2.gz GXKBPMMHIOWWKI-SJORKVTESA-N 1 2 362.470 3.194 20 30 FGEDLO CC[C@@H](C(=O)NCc1cccc2c1OCCCO2)[N@H+]1CCO[C@H](CC)C1 ZINC000328765731 498931568 /nfs/dbraw/zinc/93/15/68/498931568.db2.gz GXKBPMMHIOWWKI-SJORKVTESA-N 1 2 362.470 3.194 20 30 FGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(OC2CCCC2)CC1 ZINC000328770433 498932745 /nfs/dbraw/zinc/93/27/45/498932745.db2.gz AEWFVTOCIXDJIQ-UHFFFAOYSA-N 1 2 360.502 3.100 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000328797829 498942259 /nfs/dbraw/zinc/94/22/59/498942259.db2.gz FNLDOSCOFKRXCY-BPLDGKMQSA-N 1 2 363.462 3.007 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000328797829 498942263 /nfs/dbraw/zinc/94/22/63/498942263.db2.gz FNLDOSCOFKRXCY-BPLDGKMQSA-N 1 2 363.462 3.007 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)c1O ZINC000299026597 498944563 /nfs/dbraw/zinc/94/45/63/498944563.db2.gz JXTDCRWMVHARAZ-UHFFFAOYSA-N 1 2 372.856 3.033 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CCCC12CCOCC2 ZINC000328807637 498946126 /nfs/dbraw/zinc/94/61/26/498946126.db2.gz MEOCBTOZLADPCN-OAHLLOKOSA-N 1 2 362.861 3.341 20 30 FGEDLO Cn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000328825638 498951533 /nfs/dbraw/zinc/95/15/33/498951533.db2.gz QAVHAFLQIIMTME-ZDUSSCGKSA-N 1 2 367.453 3.093 20 30 FGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074318 498957771 /nfs/dbraw/zinc/95/77/71/498957771.db2.gz FNULEWCWGYKAMA-QAPCUYQASA-N 1 2 354.454 3.023 20 30 FGEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074318 498957777 /nfs/dbraw/zinc/95/77/77/498957777.db2.gz FNULEWCWGYKAMA-QAPCUYQASA-N 1 2 354.454 3.023 20 30 FGEDLO CC(C)N(C)c1ccc(/C=C2/CCc3c(cnn3-c3ncccn3)C2=O)c[nH+]1 ZINC000366524621 498965281 /nfs/dbraw/zinc/96/52/81/498965281.db2.gz GGQXHPDYWIJWNI-WJDWOHSUSA-N 1 2 374.448 3.114 20 30 FGEDLO CC1=CC[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000328879819 498971207 /nfs/dbraw/zinc/97/12/07/498971207.db2.gz VLFOCXPFQQBHJV-UHFFFAOYSA-N 1 2 359.495 3.116 20 30 FGEDLO CC1=CC[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000328879819 498971214 /nfs/dbraw/zinc/97/12/14/498971214.db2.gz VLFOCXPFQQBHJV-UHFFFAOYSA-N 1 2 359.495 3.116 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328887637 498975218 /nfs/dbraw/zinc/97/52/18/498975218.db2.gz PPODVECRSIYROP-ZVZYQTTQSA-N 1 2 357.454 3.121 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328887637 498975225 /nfs/dbraw/zinc/97/52/25/498975225.db2.gz PPODVECRSIYROP-ZVZYQTTQSA-N 1 2 357.454 3.121 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCO[C@H](C)C3)n2)C1 ZINC000328892748 498976602 /nfs/dbraw/zinc/97/66/02/498976602.db2.gz UMLNKYMJULXVGK-UONOGXRCSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCO[C@H](C)C3)n2)C1 ZINC000328892748 498976607 /nfs/dbraw/zinc/97/66/07/498976607.db2.gz UMLNKYMJULXVGK-UONOGXRCSA-N 1 2 352.504 3.031 20 30 FGEDLO O=C(Nc1cccc(F)c1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328894934 498976790 /nfs/dbraw/zinc/97/67/90/498976790.db2.gz BBYSJDLGOUHLJV-HNNXBMFYSA-N 1 2 370.428 3.111 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000328961448 498999890 /nfs/dbraw/zinc/99/98/90/498999890.db2.gz QBVZKZHNZDLWHB-SJLPKXTDSA-N 1 2 367.453 3.117 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C2CCC(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000328993236 499009123 /nfs/dbraw/zinc/00/91/23/499009123.db2.gz VTVWCASLKQMHIJ-ZWKOTPCHSA-N 1 2 364.873 3.428 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C2CCC(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000328993236 499009127 /nfs/dbraw/zinc/00/91/27/499009127.db2.gz VTVWCASLKQMHIJ-ZWKOTPCHSA-N 1 2 364.873 3.428 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000329065565 499030183 /nfs/dbraw/zinc/03/01/83/499030183.db2.gz KXSMDRGULGVXPJ-PMACEKPBSA-N 1 2 364.461 3.361 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000329065565 499030189 /nfs/dbraw/zinc/03/01/89/499030189.db2.gz KXSMDRGULGVXPJ-PMACEKPBSA-N 1 2 364.461 3.361 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC(Cc3cccnc3)CC1)CCC2 ZINC000329095388 499040878 /nfs/dbraw/zinc/04/08/78/499040878.db2.gz BHRDFLGVWYSGKS-IBGZPJMESA-N 1 2 367.497 3.333 20 30 FGEDLO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000329306652 499095202 /nfs/dbraw/zinc/09/52/02/499095202.db2.gz XZRFYLMKJMJWIA-LSDHHAIUSA-N 1 2 365.499 3.367 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000573157400 506131483 /nfs/dbraw/zinc/13/14/83/506131483.db2.gz QANDTGTYKURYNY-GOSISDBHSA-N 1 2 351.454 3.363 20 30 FGEDLO Cc1cc(NC(=O)N2CCc3cncnc3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329338789 499102843 /nfs/dbraw/zinc/10/28/43/499102843.db2.gz NHOJVYASALKBHC-OAHLLOKOSA-N 1 2 366.469 3.163 20 30 FGEDLO O=C(Nc1cnc2c(c1)CCCC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329346473 499105057 /nfs/dbraw/zinc/10/50/57/499105057.db2.gz VDOFKSTUNXIIAP-UHFFFAOYSA-N 1 2 351.454 3.350 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CN1CCCCCCC1=O)C2 ZINC000329401669 499115700 /nfs/dbraw/zinc/11/57/00/499115700.db2.gz YFHJGWINHLSQAK-OAHLLOKOSA-N 1 2 360.502 3.245 20 30 FGEDLO NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000329412857 499117681 /nfs/dbraw/zinc/11/76/81/499117681.db2.gz CDMLGKZWFACFBD-AWEZNQCLSA-N 1 2 353.426 3.217 20 30 FGEDLO CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329455602 499123977 /nfs/dbraw/zinc/12/39/77/499123977.db2.gz PUUZHFNSQVQIJR-QZTJIDSGSA-N 1 2 359.470 3.120 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1Cc3ccccc3OC[C@@H]1C)CCC2 ZINC000329458652 499124146 /nfs/dbraw/zinc/12/41/46/499124146.db2.gz ONAQTOWWVVWGPM-HOTGVXAUSA-N 1 2 354.454 3.266 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000329459839 499124898 /nfs/dbraw/zinc/12/48/98/499124898.db2.gz RVQDQMNHOMCZHJ-UWWQBHOKSA-N 1 2 361.461 3.398 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000329459839 499124899 /nfs/dbraw/zinc/12/48/99/499124899.db2.gz RVQDQMNHOMCZHJ-UWWQBHOKSA-N 1 2 361.461 3.398 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000329464045 499125439 /nfs/dbraw/zinc/12/54/39/499125439.db2.gz QXNSPOGGLSNXKZ-UHFFFAOYSA-N 1 2 354.834 3.058 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000329464045 499125442 /nfs/dbraw/zinc/12/54/42/499125442.db2.gz QXNSPOGGLSNXKZ-UHFFFAOYSA-N 1 2 354.834 3.058 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1CC(C(F)(F)F)C1)C2 ZINC000329471470 499126270 /nfs/dbraw/zinc/12/62/70/499126270.db2.gz ZMIJYVWKPLQKNV-CXQJBGSLSA-N 1 2 358.408 3.340 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1CC(C(F)(F)F)C1)C2 ZINC000329471470 499126272 /nfs/dbraw/zinc/12/62/72/499126272.db2.gz ZMIJYVWKPLQKNV-CXQJBGSLSA-N 1 2 358.408 3.340 20 30 FGEDLO Cc1ccncc1C1=CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000369853106 499139276 /nfs/dbraw/zinc/13/92/76/499139276.db2.gz PSAUZJXSBOXMIN-QGZVFWFLSA-N 1 2 352.482 3.210 20 30 FGEDLO Cc1ccncc1C1=CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000369853106 499139279 /nfs/dbraw/zinc/13/92/79/499139279.db2.gz PSAUZJXSBOXMIN-QGZVFWFLSA-N 1 2 352.482 3.210 20 30 FGEDLO CC(C)C1(c2ccccc2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000582109509 506136347 /nfs/dbraw/zinc/13/63/47/506136347.db2.gz QUOYSSZVCKXLCL-UHFFFAOYSA-N 1 2 368.502 3.242 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)NCC(C)(C)CCC#N)c1[nH+]ccn1C ZINC000367899796 499243207 /nfs/dbraw/zinc/24/32/07/499243207.db2.gz ILAJJCQCGVRBKU-KRWDZBQOSA-N 1 2 369.469 3.147 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000367943967 499248210 /nfs/dbraw/zinc/24/82/10/499248210.db2.gz JOXWCCAFYULEGE-UHFFFAOYSA-N 1 2 354.454 3.126 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)CCC2 ZINC000370953908 499274002 /nfs/dbraw/zinc/27/40/02/499274002.db2.gz PHXIZXWRYQGVGB-IEBWSBKVSA-N 1 2 366.465 3.160 20 30 FGEDLO C=C[C@@H](CC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1)c1ccccc1 ZINC000371306750 499308411 /nfs/dbraw/zinc/30/84/11/499308411.db2.gz XQOIZJRUVAFHLF-KRWDZBQOSA-N 1 2 350.466 3.230 20 30 FGEDLO COCCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371463878 499330473 /nfs/dbraw/zinc/33/04/73/499330473.db2.gz MCINJADVMWRLDV-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371463878 499330474 /nfs/dbraw/zinc/33/04/74/499330474.db2.gz MCINJADVMWRLDV-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369081465 499363774 /nfs/dbraw/zinc/36/37/74/499363774.db2.gz BGGHWVXMSQLDDO-GOSISDBHSA-N 1 2 367.840 3.433 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC000369100064 499365675 /nfs/dbraw/zinc/36/56/75/499365675.db2.gz MERPKGDROAAPJI-MRXNPFEDSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC000369100064 499365677 /nfs/dbraw/zinc/36/56/77/499365677.db2.gz MERPKGDROAAPJI-MRXNPFEDSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000369123736 499367905 /nfs/dbraw/zinc/36/79/05/499367905.db2.gz DLVJQRFBPQQOOW-FGZHOGPDSA-N 1 2 362.477 3.220 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000369123736 499367906 /nfs/dbraw/zinc/36/79/06/499367906.db2.gz DLVJQRFBPQQOOW-FGZHOGPDSA-N 1 2 362.477 3.220 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204111 499377057 /nfs/dbraw/zinc/37/70/57/499377057.db2.gz DYCNFBGAIWGVJY-SQNIBIBYSA-N 1 2 354.498 3.022 20 30 FGEDLO COc1cc(OC)cc(C2(O)CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000371938234 499381988 /nfs/dbraw/zinc/38/19/88/499381988.db2.gz STLIYPQXBMGRDU-UHFFFAOYSA-N 1 2 370.424 3.198 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372420293 499432720 /nfs/dbraw/zinc/43/27/20/499432720.db2.gz JLNAAYRJOZHFGI-UHFFFAOYSA-N 1 2 363.465 3.410 20 30 FGEDLO N#CCCCn1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000373071778 499449945 /nfs/dbraw/zinc/44/99/45/499449945.db2.gz UJLLDKYFKCGCBY-QGZVFWFLSA-N 1 2 373.460 3.349 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)(c3cccnc3)CC2)C1=O ZINC000375339115 499508536 /nfs/dbraw/zinc/50/85/36/499508536.db2.gz WJKZDCXOAPHWGZ-INIZCTEOSA-N 1 2 370.453 3.081 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378482495 499522673 /nfs/dbraw/zinc/52/26/73/499522673.db2.gz MKCDLRMIFNMSTH-ZBFHGGJFSA-N 1 2 369.494 3.437 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)c(OC)c1 ZINC000378533529 499529245 /nfs/dbraw/zinc/52/92/45/499529245.db2.gz WQRLZRQNORGFOY-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378547987 499530433 /nfs/dbraw/zinc/53/04/33/499530433.db2.gz HQUFXGYAACFOPL-CVEARBPZSA-N 1 2 365.437 3.163 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000375956721 499571444 /nfs/dbraw/zinc/57/14/44/499571444.db2.gz YQTXXLCRMAKPMQ-UHFFFAOYSA-N 1 2 368.868 3.102 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000376301768 499598933 /nfs/dbraw/zinc/59/89/33/499598933.db2.gz SNBFQFAXHFUXIE-KRWDZBQOSA-N 1 2 354.454 3.133 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377263796 499675088 /nfs/dbraw/zinc/67/50/88/499675088.db2.gz CXBFIRAMINULFS-UXHICEINSA-N 1 2 364.493 3.019 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c(C)[nH+]1 ZINC000411313928 499725087 /nfs/dbraw/zinc/72/50/87/499725087.db2.gz CGHXFLLSSNRZRG-KRWDZBQOSA-N 1 2 350.422 3.107 20 30 FGEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000411494841 499747464 /nfs/dbraw/zinc/74/74/64/499747464.db2.gz UVGSMKGIPSGHAW-KSSFIOAISA-N 1 2 359.470 3.233 20 30 FGEDLO CC(C)(C)CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000414666578 499818833 /nfs/dbraw/zinc/81/88/33/499818833.db2.gz VONQBWURTAGPQT-IBGZPJMESA-N 1 2 357.498 3.392 20 30 FGEDLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H](C(F)(F)F)O1 ZINC000428938618 499964057 /nfs/dbraw/zinc/96/40/57/499964057.db2.gz WPQYPBQRPFFTPC-QMMMGPOBSA-N 1 2 359.257 3.242 20 30 FGEDLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H](C(F)(F)F)O1 ZINC000428938618 499964059 /nfs/dbraw/zinc/96/40/59/499964059.db2.gz WPQYPBQRPFFTPC-QMMMGPOBSA-N 1 2 359.257 3.242 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428995691 499977437 /nfs/dbraw/zinc/97/74/37/499977437.db2.gz CXIWHDASWZASMF-MRXNPFEDSA-N 1 2 367.193 3.422 20 30 FGEDLO Cc1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c(C#N)cn1 ZINC000425213086 500045080 /nfs/dbraw/zinc/04/50/80/500045080.db2.gz XRWRRAXZHWZOPY-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(C#N)CCC2)C[C@H](C)O1 ZINC000416783774 500119471 /nfs/dbraw/zinc/11/94/71/500119471.db2.gz WBYOPIVYINRGPF-IYBDPMFKSA-N 1 2 356.470 3.111 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(C#N)CCC2)C[C@H](C)O1 ZINC000416783774 500119475 /nfs/dbraw/zinc/11/94/75/500119475.db2.gz WBYOPIVYINRGPF-IYBDPMFKSA-N 1 2 356.470 3.111 20 30 FGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000425492640 500122808 /nfs/dbraw/zinc/12/28/08/500122808.db2.gz TVHPJZDFJVQKPZ-VIFPVBQESA-N 1 2 367.377 3.254 20 30 FGEDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000425504991 500126826 /nfs/dbraw/zinc/12/68/26/500126826.db2.gz ACJNGTUSOJWBJB-FQEVSTJZSA-N 1 2 368.437 3.162 20 30 FGEDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000425504991 500126829 /nfs/dbraw/zinc/12/68/29/500126829.db2.gz ACJNGTUSOJWBJB-FQEVSTJZSA-N 1 2 368.437 3.162 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430283530 500220849 /nfs/dbraw/zinc/22/08/49/500220849.db2.gz ZKBGUPQIBCZYGS-UHFFFAOYSA-N 1 2 372.900 3.276 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430283530 500220851 /nfs/dbraw/zinc/22/08/51/500220851.db2.gz ZKBGUPQIBCZYGS-UHFFFAOYSA-N 1 2 372.900 3.276 20 30 FGEDLO O[C@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427024602 500346116 /nfs/dbraw/zinc/34/61/16/500346116.db2.gz UNCRKECXYPKAJM-CQSZACIVSA-N 1 2 351.290 3.446 20 30 FGEDLO O[C@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427024602 500346119 /nfs/dbraw/zinc/34/61/19/500346119.db2.gz UNCRKECXYPKAJM-CQSZACIVSA-N 1 2 351.290 3.446 20 30 FGEDLO CCCCc1[nH]c2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2[nH+]1 ZINC000427242925 500372215 /nfs/dbraw/zinc/37/22/15/500372215.db2.gz QIONIVLSVAMPAJ-UHFFFAOYSA-N 1 2 369.450 3.281 20 30 FGEDLO N#CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000431445627 500378286 /nfs/dbraw/zinc/37/82/86/500378286.db2.gz NFNCOZOTYLUNIL-RTBURBONSA-N 1 2 363.465 3.395 20 30 FGEDLO C=CCN1C(=O)N([C@@H](C)c2[nH+]ccn2CC)C(=O)[C@H]1Cc1ccccc1 ZINC000420023058 500415340 /nfs/dbraw/zinc/41/53/40/500415340.db2.gz WVHJTNBDYXDYFM-DOTOQJQBSA-N 1 2 352.438 3.026 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000427683062 500420967 /nfs/dbraw/zinc/42/09/67/500420967.db2.gz QRXJALXDQHKIGV-INIZCTEOSA-N 1 2 351.406 3.380 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cc1C#N ZINC000427777648 500431621 /nfs/dbraw/zinc/43/16/21/500431621.db2.gz HOTVNZYYWMPBLY-UHFFFAOYSA-N 1 2 367.434 3.206 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000570565064 506197042 /nfs/dbraw/zinc/19/70/42/506197042.db2.gz WZHRYNRJRAPHOH-QGZVFWFLSA-N 1 2 368.412 3.108 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000570565064 506197046 /nfs/dbraw/zinc/19/70/46/506197046.db2.gz WZHRYNRJRAPHOH-QGZVFWFLSA-N 1 2 368.412 3.108 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)nn1 ZINC000424175931 500463984 /nfs/dbraw/zinc/46/39/84/500463984.db2.gz WDBSDXOPUVUTFH-UHFFFAOYSA-N 1 2 370.888 3.269 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432081011 500464915 /nfs/dbraw/zinc/46/49/15/500464915.db2.gz QBZSAEODORRPKL-UHFFFAOYSA-N 1 2 365.275 3.498 20 30 FGEDLO C=CCC1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000424648031 500534953 /nfs/dbraw/zinc/53/49/53/500534953.db2.gz REXJOAITXZUPEP-QGZVFWFLSA-N 1 2 358.482 3.391 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000432678932 500547556 /nfs/dbraw/zinc/54/75/56/500547556.db2.gz UNLNYYBJRSEXHH-IYBDPMFKSA-N 1 2 358.486 3.309 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000432678932 500547560 /nfs/dbraw/zinc/54/75/60/500547560.db2.gz UNLNYYBJRSEXHH-IYBDPMFKSA-N 1 2 358.486 3.309 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810536 500560232 /nfs/dbraw/zinc/56/02/32/500560232.db2.gz YEGWGWBKKLGCPV-AWEZNQCLSA-N 1 2 371.824 3.047 20 30 FGEDLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810536 500560233 /nfs/dbraw/zinc/56/02/33/500560233.db2.gz YEGWGWBKKLGCPV-AWEZNQCLSA-N 1 2 371.824 3.047 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)oc1C ZINC000432923331 500591235 /nfs/dbraw/zinc/59/12/35/500591235.db2.gz FJEMBPNZWDZFTD-ZDUSSCGKSA-N 1 2 371.412 3.269 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000433204190 500646652 /nfs/dbraw/zinc/64/66/52/500646652.db2.gz FIKKFHZNWIKATL-HXUWFJFHSA-N 1 2 350.418 3.358 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726078 500653907 /nfs/dbraw/zinc/65/39/07/500653907.db2.gz DHBSGOBDXAADTG-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726078 500653910 /nfs/dbraw/zinc/65/39/10/500653910.db2.gz DHBSGOBDXAADTG-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO C=CCNC(=O)C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433283577 500660842 /nfs/dbraw/zinc/66/08/42/500660842.db2.gz CYAGSFIQBKCERE-OAHLLOKOSA-N 1 2 356.388 3.160 20 30 FGEDLO C=CCNC(=O)C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433283577 500660847 /nfs/dbraw/zinc/66/08/47/500660847.db2.gz CYAGSFIQBKCERE-OAHLLOKOSA-N 1 2 356.388 3.160 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433309429 500668320 /nfs/dbraw/zinc/66/83/20/500668320.db2.gz ZNKPFUIRYMGKJM-KRWDZBQOSA-N 1 2 374.893 3.475 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433309429 500668325 /nfs/dbraw/zinc/66/83/25/500668325.db2.gz ZNKPFUIRYMGKJM-KRWDZBQOSA-N 1 2 374.893 3.475 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437892380 500712816 /nfs/dbraw/zinc/71/28/16/500712816.db2.gz SGODSRAFBRFZAP-IAGOWNOFSA-N 1 2 373.440 3.345 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437892380 500712818 /nfs/dbraw/zinc/71/28/18/500712818.db2.gz SGODSRAFBRFZAP-IAGOWNOFSA-N 1 2 373.440 3.345 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443519404 500733190 /nfs/dbraw/zinc/73/31/90/500733190.db2.gz VZPCQHHJFVQNOU-UHFFFAOYSA-N 1 2 363.265 3.367 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443657315 500750796 /nfs/dbraw/zinc/75/07/96/500750796.db2.gz NHFODVCZXXPTNY-HZPDHXFCSA-N 1 2 363.889 3.191 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443657315 500750798 /nfs/dbraw/zinc/75/07/98/500750798.db2.gz NHFODVCZXXPTNY-HZPDHXFCSA-N 1 2 363.889 3.191 20 30 FGEDLO C=CCN(Cc1cccc2[nH+]ccn21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438274440 500761616 /nfs/dbraw/zinc/76/16/16/500761616.db2.gz AZZGLOQORXYYES-FQEVSTJZSA-N 1 2 363.461 3.497 20 30 FGEDLO C=CCN(Cc1c[nH+]c2ccccn12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438280043 500762495 /nfs/dbraw/zinc/76/24/95/500762495.db2.gz JDVHYLVRTYHBGF-FQEVSTJZSA-N 1 2 363.461 3.497 20 30 FGEDLO CN(C)c1ccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC000438645816 500810893 /nfs/dbraw/zinc/81/08/93/500810893.db2.gz YXRGOMUHKTZKNY-UHFFFAOYSA-N 1 2 363.343 3.360 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1C ZINC000611577719 506221136 /nfs/dbraw/zinc/22/11/36/506221136.db2.gz KFFYCTWDPAQBPJ-INIZCTEOSA-N 1 2 365.424 3.254 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)c1C ZINC000611577719 506221143 /nfs/dbraw/zinc/22/11/43/506221143.db2.gz KFFYCTWDPAQBPJ-INIZCTEOSA-N 1 2 365.424 3.254 20 30 FGEDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439422192 500894896 /nfs/dbraw/zinc/89/48/96/500894896.db2.gz MLVJCCXHMDHGPI-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439422192 500894900 /nfs/dbraw/zinc/89/49/00/500894900.db2.gz MLVJCCXHMDHGPI-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000434991398 500920136 /nfs/dbraw/zinc/92/01/36/500920136.db2.gz OMXGNWQWHDANCM-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO CCc1[nH+]c2ccccc2n1Cc1noc(COc2ccc(C#N)cc2)n1 ZINC000445387743 500979738 /nfs/dbraw/zinc/97/97/38/500979738.db2.gz YNXOGLDJUDGIID-UHFFFAOYSA-N 1 2 359.389 3.481 20 30 FGEDLO N#CCc1ccc(CS(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445548755 501000553 /nfs/dbraw/zinc/00/05/53/501000553.db2.gz LSXVZAKLEIXDHP-UHFFFAOYSA-N 1 2 365.458 3.112 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)no1 ZINC000440490082 501014951 /nfs/dbraw/zinc/01/49/51/501014951.db2.gz QGEHSOKTEHLNIG-UHFFFAOYSA-N 1 2 372.900 3.190 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441429486 501137374 /nfs/dbraw/zinc/13/73/74/501137374.db2.gz PFMNQUOBCPXXRZ-XMSQKQJNSA-N 1 2 374.525 3.347 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441429486 501137377 /nfs/dbraw/zinc/13/73/77/501137377.db2.gz PFMNQUOBCPXXRZ-XMSQKQJNSA-N 1 2 374.525 3.347 20 30 FGEDLO Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc(C#N)c1[N+](=O)[O-] ZINC000596064653 506236923 /nfs/dbraw/zinc/23/69/23/506236923.db2.gz ZNMCXTGGKZHOOI-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO COc1ccccc1-n1c2ccccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000446881806 501177171 /nfs/dbraw/zinc/17/71/71/501177171.db2.gz VSHPPYFSBNJMOE-UHFFFAOYSA-N 1 2 357.417 3.278 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598945468 506238928 /nfs/dbraw/zinc/23/89/28/506238928.db2.gz IWOWUPAKHDRSLR-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598945468 506238932 /nfs/dbraw/zinc/23/89/32/506238932.db2.gz IWOWUPAKHDRSLR-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO CCS(=O)(=O)c1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000451040233 501241324 /nfs/dbraw/zinc/24/13/24/501241324.db2.gz JZMWVDHHXMMJGF-UHFFFAOYSA-N 1 2 372.490 3.000 20 30 FGEDLO CCS(=O)(=O)c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000451040233 501241325 /nfs/dbraw/zinc/24/13/25/501241325.db2.gz JZMWVDHHXMMJGF-UHFFFAOYSA-N 1 2 372.490 3.000 20 30 FGEDLO C=C(C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000455308691 501268285 /nfs/dbraw/zinc/26/82/85/501268285.db2.gz BEMNRPLSWJCMRS-UHFFFAOYSA-N 1 2 351.248 3.171 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000596075528 506243837 /nfs/dbraw/zinc/24/38/37/506243837.db2.gz GDCHDDUQVVAYRO-UHFFFAOYSA-N 1 2 359.836 3.025 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CCC4=O)CC2)cc1 ZINC000455711408 501370351 /nfs/dbraw/zinc/37/03/51/501370351.db2.gz FNYWCBXPEQFXHE-UHFFFAOYSA-N 1 2 374.444 3.037 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451796657 501373417 /nfs/dbraw/zinc/37/34/17/501373417.db2.gz HQWDHGRAHFJUKF-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451796657 501373418 /nfs/dbraw/zinc/37/34/18/501373418.db2.gz HQWDHGRAHFJUKF-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455870893 501403836 /nfs/dbraw/zinc/40/38/36/501403836.db2.gz SYHPAQWIIVXETB-LLVKDONJSA-N 1 2 353.264 3.483 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Nc1cccc(CC#N)c1)C2 ZINC000455920033 501415745 /nfs/dbraw/zinc/41/57/45/501415745.db2.gz NDCMIVWDMSUEKC-MRXNPFEDSA-N 1 2 351.454 3.383 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000456390267 501515361 /nfs/dbraw/zinc/51/53/61/501515361.db2.gz OXWQFHMISBYDMA-AWEZNQCLSA-N 1 2 364.405 3.438 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456651048 501567469 /nfs/dbraw/zinc/56/74/69/501567469.db2.gz CPIKPLFLJNWASN-HNNXBMFYSA-N 1 2 356.264 3.077 20 30 FGEDLO CN(C)c1cc(NC(=O)C2(C#N)CCCCC2)[nH+]cc1Br ZINC000456682441 501575828 /nfs/dbraw/zinc/57/58/28/501575828.db2.gz XMVOWGRVYSRWCI-UHFFFAOYSA-N 1 2 351.248 3.323 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454763653 501624501 /nfs/dbraw/zinc/62/45/01/501624501.db2.gz PEOFZXKVZHSMHU-OAGGEKHMSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454763653 501624504 /nfs/dbraw/zinc/62/45/04/501624504.db2.gz PEOFZXKVZHSMHU-OAGGEKHMSA-N 1 2 374.510 3.066 20 30 FGEDLO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000459391010 501645102 /nfs/dbraw/zinc/64/51/02/501645102.db2.gz JUUDCRLKSRVCSL-INIZCTEOSA-N 1 2 353.378 3.479 20 30 FGEDLO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459772972 501712209 /nfs/dbraw/zinc/71/22/09/501712209.db2.gz VCZUGGQTSGPTMG-OAHLLOKOSA-N 1 2 360.454 3.034 20 30 FGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000459772972 501712212 /nfs/dbraw/zinc/71/22/12/501712212.db2.gz VCZUGGQTSGPTMG-OAHLLOKOSA-N 1 2 360.454 3.034 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459782954 501712939 /nfs/dbraw/zinc/71/29/39/501712939.db2.gz HQJPYWPCEXIVIX-STQMWFEESA-N 1 2 371.510 3.300 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707943 501857552 /nfs/dbraw/zinc/85/75/52/501857552.db2.gz WCYCAGARYSKICH-RBBKRZOGSA-N 1 2 362.429 3.294 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707943 501857558 /nfs/dbraw/zinc/85/75/58/501857558.db2.gz WCYCAGARYSKICH-RBBKRZOGSA-N 1 2 362.429 3.294 20 30 FGEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000471012345 501892041 /nfs/dbraw/zinc/89/20/41/501892041.db2.gz OVMDYDUKDAYQCR-GOSISDBHSA-N 1 2 356.857 3.126 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccc1OC ZINC000485686964 501901686 /nfs/dbraw/zinc/90/16/86/501901686.db2.gz KSAARCOGIYFDRC-IBGZPJMESA-N 1 2 361.482 3.278 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccc1OC ZINC000485686964 501901688 /nfs/dbraw/zinc/90/16/88/501901688.db2.gz KSAARCOGIYFDRC-IBGZPJMESA-N 1 2 361.482 3.278 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000485881029 501973662 /nfs/dbraw/zinc/97/36/62/501973662.db2.gz KDSLKBJXSTVCPG-GOSISDBHSA-N 1 2 351.475 3.400 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000485881029 501973664 /nfs/dbraw/zinc/97/36/64/501973664.db2.gz KDSLKBJXSTVCPG-GOSISDBHSA-N 1 2 351.475 3.400 20 30 FGEDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000471611436 502086395 /nfs/dbraw/zinc/08/63/95/502086395.db2.gz JZKWPTCDHNBFLE-CYBMUJFWSA-N 1 2 351.385 3.245 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602790385 506300454 /nfs/dbraw/zinc/30/04/54/506300454.db2.gz DVLNKETYTUORSK-INIZCTEOSA-N 1 2 351.454 3.109 20 30 FGEDLO CCOC(=O)c1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000602801069 506305195 /nfs/dbraw/zinc/30/51/95/506305195.db2.gz ZHAKGACMIBAVLF-UHFFFAOYSA-N 1 2 353.447 3.481 20 30 FGEDLO CCOC(=O)c1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000602801069 506305203 /nfs/dbraw/zinc/30/52/03/506305203.db2.gz ZHAKGACMIBAVLF-UHFFFAOYSA-N 1 2 353.447 3.481 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000483165708 502299655 /nfs/dbraw/zinc/29/96/55/502299655.db2.gz DANUCCLKPVVMRO-UHFFFAOYSA-N 1 2 363.509 3.116 20 30 FGEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000462248055 502367315 /nfs/dbraw/zinc/36/73/15/502367315.db2.gz WFFCWGMIVSIRQO-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000483417376 502383796 /nfs/dbraw/zinc/38/37/96/502383796.db2.gz FFUBXHIGIJNTRV-OAHLLOKOSA-N 1 2 368.433 3.139 20 30 FGEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000483417376 502383799 /nfs/dbraw/zinc/38/37/99/502383799.db2.gz FFUBXHIGIJNTRV-OAHLLOKOSA-N 1 2 368.433 3.139 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472634821 502407097 /nfs/dbraw/zinc/40/70/97/502407097.db2.gz IBXUDMZYBSCJLV-NHCUHLMSSA-N 1 2 355.482 3.011 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472634821 502407102 /nfs/dbraw/zinc/40/71/02/502407102.db2.gz IBXUDMZYBSCJLV-NHCUHLMSSA-N 1 2 355.482 3.011 20 30 FGEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211038 506312747 /nfs/dbraw/zinc/31/27/47/506312747.db2.gz MAQUGSIHAGBJAE-CQSZACIVSA-N 1 2 367.457 3.092 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211038 506312754 /nfs/dbraw/zinc/31/27/54/506312754.db2.gz MAQUGSIHAGBJAE-CQSZACIVSA-N 1 2 367.457 3.092 20 30 FGEDLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[C@H]1C#N ZINC000602836982 506320289 /nfs/dbraw/zinc/32/02/89/506320289.db2.gz RKBLDGUXXSXLQP-RDJZCZTQSA-N 1 2 353.426 3.118 20 30 FGEDLO Cc1cc(N2CC[C@H](Oc3cncc(Br)c3)C2)c(C#N)c[nH+]1 ZINC000599105864 506325490 /nfs/dbraw/zinc/32/54/90/506325490.db2.gz GJOBGAVTUUZKEX-AWEZNQCLSA-N 1 2 359.227 3.077 20 30 FGEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000466822390 502695007 /nfs/dbraw/zinc/69/50/07/502695007.db2.gz MQQYFNXLBJQEFN-BJMVGYQFSA-N 1 2 374.488 3.141 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2Br)C1=O ZINC000463205421 502718946 /nfs/dbraw/zinc/71/89/46/502718946.db2.gz PPAXOUOLSDMYHE-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2Br)C1=O ZINC000463205421 502718949 /nfs/dbraw/zinc/71/89/49/502718949.db2.gz PPAXOUOLSDMYHE-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000602869381 506332264 /nfs/dbraw/zinc/33/22/64/506332264.db2.gz NUPBHONTQODRLG-OLZOCXBDSA-N 1 2 356.451 3.219 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477489905 502787757 /nfs/dbraw/zinc/78/77/57/502787757.db2.gz CXMOFNOMCALDAW-DLBZAZTESA-N 1 2 374.909 3.498 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477489905 502787759 /nfs/dbraw/zinc/78/77/59/502787759.db2.gz CXMOFNOMCALDAW-DLBZAZTESA-N 1 2 374.909 3.498 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000484987149 502792934 /nfs/dbraw/zinc/79/29/34/502792934.db2.gz YTVUIPYJACSUBU-UHFFFAOYSA-N 1 2 356.838 3.268 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000485044908 502808597 /nfs/dbraw/zinc/80/85/97/502808597.db2.gz XBJXMWOWUARLQR-ZDUSSCGKSA-N 1 2 357.483 3.240 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000485044908 502808601 /nfs/dbraw/zinc/80/86/01/502808601.db2.gz XBJXMWOWUARLQR-ZDUSSCGKSA-N 1 2 357.483 3.240 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000602882325 506335723 /nfs/dbraw/zinc/33/57/23/506335723.db2.gz UUVWBKKZNPQRTN-QGZVFWFLSA-N 1 2 357.845 3.147 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000602882325 506335725 /nfs/dbraw/zinc/33/57/25/506335725.db2.gz UUVWBKKZNPQRTN-QGZVFWFLSA-N 1 2 357.845 3.147 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3cccc(C#N)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000513062851 502843112 /nfs/dbraw/zinc/84/31/12/502843112.db2.gz VFJMGGMQENOFBS-UHFFFAOYSA-N 1 2 363.465 3.051 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000505063230 502846765 /nfs/dbraw/zinc/84/67/65/502846765.db2.gz YTPZOPMNSPBTTJ-UHFFFAOYSA-N 1 2 351.454 3.258 20 30 FGEDLO C=CCc1ccc(OCc2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c(OC)c1 ZINC000500896054 502887923 /nfs/dbraw/zinc/88/79/23/502887923.db2.gz VOWCKVFQDZEFRO-SFHVURJKSA-N 1 2 373.453 3.167 20 30 FGEDLO C=CCc1ccc(OCc2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c(OC)c1 ZINC000500896054 502887928 /nfs/dbraw/zinc/88/79/28/502887928.db2.gz VOWCKVFQDZEFRO-SFHVURJKSA-N 1 2 373.453 3.167 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000505638219 502956740 /nfs/dbraw/zinc/95/67/40/502956740.db2.gz SZFFIVXEQUCWID-UHFFFAOYSA-N 1 2 374.419 3.290 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489696048 503013555 /nfs/dbraw/zinc/01/35/55/503013555.db2.gz IINHYBCEBWOJBI-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489696048 503013560 /nfs/dbraw/zinc/01/35/60/503013560.db2.gz IINHYBCEBWOJBI-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)nc1 ZINC000602910474 506347284 /nfs/dbraw/zinc/34/72/84/506347284.db2.gz SHZMLOQYLUJVSO-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO CCc1nc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)sc1C ZINC000602908855 506348594 /nfs/dbraw/zinc/34/85/94/506348594.db2.gz VLYNOCMDZGYPIE-UHFFFAOYSA-N 1 2 369.494 3.099 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000506100896 503048375 /nfs/dbraw/zinc/04/83/75/503048375.db2.gz KKIORMHTWAKXPD-UHFFFAOYSA-N 1 2 363.461 3.037 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4c(F)cc(F)cc4C3)C2=O)cc1 ZINC000489966079 503077766 /nfs/dbraw/zinc/07/77/66/503077766.db2.gz NPUXRGQGYJCBBW-HXUWFJFHSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4c(F)cc(F)cc4C3)C2=O)cc1 ZINC000489966079 503077770 /nfs/dbraw/zinc/07/77/70/503077770.db2.gz NPUXRGQGYJCBBW-HXUWFJFHSA-N 1 2 367.399 3.390 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490078494 503105105 /nfs/dbraw/zinc/10/51/05/503105105.db2.gz HNRYGRHDVYLVCW-GOSISDBHSA-N 1 2 359.514 3.459 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490078494 503105106 /nfs/dbraw/zinc/10/51/06/503105106.db2.gz HNRYGRHDVYLVCW-GOSISDBHSA-N 1 2 359.514 3.459 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510413532 503109148 /nfs/dbraw/zinc/10/91/48/503109148.db2.gz HSAKFTDIBNJOHE-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510413532 503109153 /nfs/dbraw/zinc/10/91/53/503109153.db2.gz HSAKFTDIBNJOHE-UHFFFAOYSA-N 1 2 362.408 3.320 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc5ccccc5n4)CC3)n2c1 ZINC000510473902 503121923 /nfs/dbraw/zinc/12/19/23/503121923.db2.gz QYBVRBIOEWJIBN-UHFFFAOYSA-N 1 2 368.444 3.076 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000510470656 503121927 /nfs/dbraw/zinc/12/19/27/503121927.db2.gz WXMPTXYJMVBRGT-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO N#Cc1csc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000506640415 503147594 /nfs/dbraw/zinc/14/75/94/503147594.db2.gz YXUDGAOVZOBJRM-LJQANCHMSA-N 1 2 351.475 3.169 20 30 FGEDLO N#Cc1csc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000506640415 503147597 /nfs/dbraw/zinc/14/75/97/503147597.db2.gz YXUDGAOVZOBJRM-LJQANCHMSA-N 1 2 351.475 3.169 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cc(C#N)cs1 ZINC000506754136 503165982 /nfs/dbraw/zinc/16/59/82/503165982.db2.gz WXGMJFHQJLQQRT-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cc(C#N)cs1 ZINC000506754136 503165986 /nfs/dbraw/zinc/16/59/86/503165986.db2.gz WXGMJFHQJLQQRT-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000510792123 503194027 /nfs/dbraw/zinc/19/40/27/503194027.db2.gz PUEZBAIRMDSBPC-AWEZNQCLSA-N 1 2 355.463 3.110 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000510792123 503194030 /nfs/dbraw/zinc/19/40/30/503194030.db2.gz PUEZBAIRMDSBPC-AWEZNQCLSA-N 1 2 355.463 3.110 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000506994265 503208094 /nfs/dbraw/zinc/20/80/94/503208094.db2.gz GSTBINPGPGRPSS-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(F)(C#N)CC3)cs2)cc1 ZINC000510902219 503213855 /nfs/dbraw/zinc/21/38/55/503213855.db2.gz JQZDLCBLYBPPEQ-UHFFFAOYSA-N 1 2 359.426 3.424 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510900633 503213959 /nfs/dbraw/zinc/21/39/59/503213959.db2.gz DSYFTABOVCPUHB-GOSISDBHSA-N 1 2 359.445 3.076 20 30 FGEDLO CC(=O)c1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502529666 503218625 /nfs/dbraw/zinc/21/86/25/503218625.db2.gz OXNQQDOGVOWAMK-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502529666 503218628 /nfs/dbraw/zinc/21/86/28/503218628.db2.gz OXNQQDOGVOWAMK-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000602939312 506359174 /nfs/dbraw/zinc/35/91/74/506359174.db2.gz BAGHJXRROXUAFC-UHFFFAOYSA-N 1 2 368.485 3.194 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000602939312 506359184 /nfs/dbraw/zinc/35/91/84/506359184.db2.gz BAGHJXRROXUAFC-UHFFFAOYSA-N 1 2 368.485 3.194 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)C1CCOCC1 ZINC000490848359 503236721 /nfs/dbraw/zinc/23/67/21/503236721.db2.gz WBEBSBDYBGFWBZ-OAHLLOKOSA-N 1 2 365.359 3.285 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1ccccc1 ZINC000502648523 503244329 /nfs/dbraw/zinc/24/43/29/503244329.db2.gz FJXLUWVPTWMQLN-UHFFFAOYSA-N 1 2 352.434 3.124 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1ccccc1 ZINC000502648523 503244330 /nfs/dbraw/zinc/24/43/30/503244330.db2.gz FJXLUWVPTWMQLN-UHFFFAOYSA-N 1 2 352.434 3.124 20 30 FGEDLO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502766698 503267221 /nfs/dbraw/zinc/26/72/21/503267221.db2.gz UIIIPOIKRYOZLH-CYBMUJFWSA-N 1 2 354.479 3.353 20 30 FGEDLO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502766698 503267227 /nfs/dbraw/zinc/26/72/27/503267227.db2.gz UIIIPOIKRYOZLH-CYBMUJFWSA-N 1 2 354.479 3.353 20 30 FGEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507307885 503274197 /nfs/dbraw/zinc/27/41/97/503274197.db2.gz WHVKLOAALUKBMT-GOSISDBHSA-N 1 2 362.477 3.122 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000511178285 503274759 /nfs/dbraw/zinc/27/47/59/503274759.db2.gz ZCARFNLAJJXXPA-OAHLLOKOSA-N 1 2 369.415 3.284 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cc4ccccc4[nH]3)CC1)CCC2 ZINC000599179633 506362775 /nfs/dbraw/zinc/36/27/75/506362775.db2.gz OOTAYVIPVIKDED-UHFFFAOYSA-N 1 2 357.461 3.245 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)ccc1F ZINC000507768626 503362630 /nfs/dbraw/zinc/36/26/30/503362630.db2.gz QWFJGMFVAUXDCK-UHFFFAOYSA-N 1 2 373.185 3.038 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796441 503389600 /nfs/dbraw/zinc/38/96/00/503389600.db2.gz KZASDWMGJVPCBZ-CRAIPNDOSA-N 1 2 351.853 3.500 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796441 503389602 /nfs/dbraw/zinc/38/96/02/503389602.db2.gz KZASDWMGJVPCBZ-CRAIPNDOSA-N 1 2 351.853 3.500 20 30 FGEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000596357197 506370767 /nfs/dbraw/zinc/37/07/67/506370767.db2.gz NHQKLDDYNITEEM-UHFFFAOYSA-N 1 2 374.404 3.044 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(Br)s2)C1=O ZINC000499618488 503444839 /nfs/dbraw/zinc/44/48/39/503444839.db2.gz JQQPWWDDIIKXDY-RYUDHWBXSA-N 1 2 355.301 3.434 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1=O ZINC000499618488 503444843 /nfs/dbraw/zinc/44/48/43/503444843.db2.gz JQQPWWDDIIKXDY-RYUDHWBXSA-N 1 2 355.301 3.434 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602980642 506372510 /nfs/dbraw/zinc/37/25/10/506372510.db2.gz SQPMACLMPDHTTC-HOJAQTOUSA-N 1 2 355.482 3.373 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602980642 506372517 /nfs/dbraw/zinc/37/25/17/506372517.db2.gz SQPMACLMPDHTTC-HOJAQTOUSA-N 1 2 355.482 3.373 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(CO)o1 ZINC000512165660 503474138 /nfs/dbraw/zinc/47/41/38/503474138.db2.gz HGDXDDOKMZZQEN-UHFFFAOYSA-N 1 2 373.840 3.314 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(CO)o1 ZINC000512165660 503474141 /nfs/dbraw/zinc/47/41/41/503474141.db2.gz HGDXDDOKMZZQEN-UHFFFAOYSA-N 1 2 373.840 3.314 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508333685 503476933 /nfs/dbraw/zinc/47/69/33/503476933.db2.gz NTJVGORPQJHMES-SFHVURJKSA-N 1 2 367.493 3.419 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508333685 503476936 /nfs/dbraw/zinc/47/69/36/503476936.db2.gz NTJVGORPQJHMES-SFHVURJKSA-N 1 2 367.493 3.419 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000512181100 503478696 /nfs/dbraw/zinc/47/86/96/503478696.db2.gz OZUZOBFQCVYYIY-HNNXBMFYSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000512181100 503478701 /nfs/dbraw/zinc/47/87/01/503478701.db2.gz OZUZOBFQCVYYIY-HNNXBMFYSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000512193960 503482214 /nfs/dbraw/zinc/48/22/14/503482214.db2.gz JIGOEHZZYPSWSV-KRWDZBQOSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000512193960 503482219 /nfs/dbraw/zinc/48/22/19/503482219.db2.gz JIGOEHZZYPSWSV-KRWDZBQOSA-N 1 2 356.466 3.163 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000512244574 503496944 /nfs/dbraw/zinc/49/69/44/503496944.db2.gz NRCGBHFBCWEALE-UHFFFAOYSA-N 1 2 355.825 3.353 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2 ZINC000512244574 503496947 /nfs/dbraw/zinc/49/69/47/503496947.db2.gz NRCGBHFBCWEALE-UHFFFAOYSA-N 1 2 355.825 3.353 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000512449940 503555627 /nfs/dbraw/zinc/55/56/27/503555627.db2.gz MRSDQGKTECOVDF-HXUWFJFHSA-N 1 2 354.450 3.170 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000512449940 503555631 /nfs/dbraw/zinc/55/56/31/503555631.db2.gz MRSDQGKTECOVDF-HXUWFJFHSA-N 1 2 354.450 3.170 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000512479776 503566525 /nfs/dbraw/zinc/56/65/25/503566525.db2.gz IZHLAYQJZRILHB-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000512479776 503566528 /nfs/dbraw/zinc/56/65/28/503566528.db2.gz IZHLAYQJZRILHB-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000512479776 503566530 /nfs/dbraw/zinc/56/65/30/503566530.db2.gz IZHLAYQJZRILHB-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000512479776 503566533 /nfs/dbraw/zinc/56/65/33/503566533.db2.gz IZHLAYQJZRILHB-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000512536007 503579384 /nfs/dbraw/zinc/57/93/84/503579384.db2.gz FLFZMXIGESIYLN-INIZCTEOSA-N 1 2 372.435 3.395 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000512536007 503579386 /nfs/dbraw/zinc/57/93/86/503579386.db2.gz FLFZMXIGESIYLN-INIZCTEOSA-N 1 2 372.435 3.395 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000504535578 503584690 /nfs/dbraw/zinc/58/46/90/503584690.db2.gz CJLAQRBPRVJMHK-UHFFFAOYSA-N 1 2 355.438 3.065 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000516931973 503622437 /nfs/dbraw/zinc/62/24/37/503622437.db2.gz WEUYCDTWLKUXKJ-IBGZPJMESA-N 1 2 369.440 3.225 20 30 FGEDLO Cn1ncc(Br)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000494975208 503644251 /nfs/dbraw/zinc/64/42/51/503644251.db2.gz JYVMEVVACSVANU-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cn1ncc(Br)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000494975208 503644252 /nfs/dbraw/zinc/64/42/52/503644252.db2.gz JYVMEVVACSVANU-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527825523 503962322 /nfs/dbraw/zinc/96/23/22/503962322.db2.gz CYAUGOXERZPUGB-OAHLLOKOSA-N 1 2 368.868 3.055 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000537617871 503977591 /nfs/dbraw/zinc/97/75/91/503977591.db2.gz JKXLYFALSLWKJR-PUAOIOHZSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000537617871 503977596 /nfs/dbraw/zinc/97/75/96/503977596.db2.gz JKXLYFALSLWKJR-PUAOIOHZSA-N 1 2 354.475 3.090 20 30 FGEDLO N#Cc1ccc(CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000544307090 504081510 /nfs/dbraw/zinc/08/15/10/504081510.db2.gz PKEQDFKEXAEGSH-UHFFFAOYSA-N 1 2 363.465 3.008 20 30 FGEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C ZINC000530777988 504085892 /nfs/dbraw/zinc/08/58/92/504085892.db2.gz FAUYMEFNOZHJBG-SFHVURJKSA-N 1 2 366.509 3.247 20 30 FGEDLO N#Cc1cnccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000538034447 504119322 /nfs/dbraw/zinc/11/93/22/504119322.db2.gz DBSUYKYIAZFTEA-UHFFFAOYSA-N 1 2 356.429 3.016 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc(C#N)c3F)CC2)s1 ZINC000547748167 504210400 /nfs/dbraw/zinc/21/04/00/504210400.db2.gz VLEKPSULZRNNLA-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO CCCc1csc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000538481000 504260507 /nfs/dbraw/zinc/26/05/07/504260507.db2.gz YDVVQWWQJQLDJO-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000548009798 504292196 /nfs/dbraw/zinc/29/21/96/504292196.db2.gz YNXYYKPXZWTFDA-SFHVURJKSA-N 1 2 369.469 3.275 20 30 FGEDLO COc1ccc(C[N@@H+]2CCc3nc(C)ncc3C2)cc1OCCCC#N ZINC000535075222 504335445 /nfs/dbraw/zinc/33/54/45/504335445.db2.gz OBBCDZIKNFCMQC-UHFFFAOYSA-N 1 2 352.438 3.035 20 30 FGEDLO COc1ccc(C[N@H+]2CCc3nc(C)ncc3C2)cc1OCCCC#N ZINC000535075222 504335451 /nfs/dbraw/zinc/33/54/51/504335451.db2.gz OBBCDZIKNFCMQC-UHFFFAOYSA-N 1 2 352.438 3.035 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000545505320 504509478 /nfs/dbraw/zinc/50/94/78/504509478.db2.gz OVEZXCBBTLJIAS-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)nc1 ZINC000521106959 504651665 /nfs/dbraw/zinc/65/16/65/504651665.db2.gz WDYCWSHXGUAUKG-UHFFFAOYSA-N 1 2 369.384 3.323 20 30 FGEDLO Cc1nc(N(C)C)nc(N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH+]1 ZINC000542966005 504675759 /nfs/dbraw/zinc/67/57/59/504675759.db2.gz GZFGONLJSKGVGE-CQSZACIVSA-N 1 2 358.449 3.380 20 30 FGEDLO Cc1nc(N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc(N(C)C)[nH+]1 ZINC000542966005 504675765 /nfs/dbraw/zinc/67/57/65/504675765.db2.gz GZFGONLJSKGVGE-CQSZACIVSA-N 1 2 358.449 3.380 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532729749 504746278 /nfs/dbraw/zinc/74/62/78/504746278.db2.gz KWOMAZXMBRWQBH-TZQQIIETSA-N 1 2 355.482 3.070 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532729749 504746284 /nfs/dbraw/zinc/74/62/84/504746284.db2.gz KWOMAZXMBRWQBH-TZQQIIETSA-N 1 2 355.482 3.070 20 30 FGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532727507 504746599 /nfs/dbraw/zinc/74/65/99/504746599.db2.gz HKMRGZQZHGGKFD-QGZVFWFLSA-N 1 2 357.845 3.111 20 30 FGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532727507 504746601 /nfs/dbraw/zinc/74/66/01/504746601.db2.gz HKMRGZQZHGGKFD-QGZVFWFLSA-N 1 2 357.845 3.111 20 30 FGEDLO CCc1[nH+]c2cc(CNc3nccc(C#N)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000549259661 504775693 /nfs/dbraw/zinc/77/56/93/504775693.db2.gz JSUAQRQTHNWNNQ-UHFFFAOYSA-N 1 2 362.393 3.142 20 30 FGEDLO Cc1cc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000562350773 504792420 /nfs/dbraw/zinc/79/24/20/504792420.db2.gz FNHRBJVITXCWQM-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000556107279 504798609 /nfs/dbraw/zinc/79/86/09/504798609.db2.gz DZMRBLYJLWQSLI-INIZCTEOSA-N 1 2 364.287 3.182 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000556107279 504798611 /nfs/dbraw/zinc/79/86/11/504798611.db2.gz DZMRBLYJLWQSLI-INIZCTEOSA-N 1 2 364.287 3.182 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000559263971 504812855 /nfs/dbraw/zinc/81/28/55/504812855.db2.gz OIWUJMKFAXPRMI-TZMCWYRMSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000559263971 504812860 /nfs/dbraw/zinc/81/28/60/504812860.db2.gz OIWUJMKFAXPRMI-TZMCWYRMSA-N 1 2 367.434 3.279 20 30 FGEDLO CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000559268014 504814628 /nfs/dbraw/zinc/81/46/28/504814628.db2.gz UJTIKEPGDYHNNL-MJGOQNOKSA-N 1 2 359.470 3.197 20 30 FGEDLO CC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000559268014 504814631 /nfs/dbraw/zinc/81/46/31/504814631.db2.gz UJTIKEPGDYHNNL-MJGOQNOKSA-N 1 2 359.470 3.197 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000559299753 504824668 /nfs/dbraw/zinc/82/46/68/504824668.db2.gz MSYJXMCYDBNFMB-WMLDXEAASA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1=O ZINC000559299753 504824669 /nfs/dbraw/zinc/82/46/69/504824669.db2.gz MSYJXMCYDBNFMB-WMLDXEAASA-N 1 2 355.438 3.354 20 30 FGEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000563327595 505109664 /nfs/dbraw/zinc/10/96/64/505109664.db2.gz YYRGEUHLIXGPGF-HOTGVXAUSA-N 1 2 373.388 3.096 20 30 FGEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000563327595 505109669 /nfs/dbraw/zinc/10/96/69/505109669.db2.gz YYRGEUHLIXGPGF-HOTGVXAUSA-N 1 2 373.388 3.096 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCc3occc3C2)cc1 ZINC000558179925 505328476 /nfs/dbraw/zinc/32/84/76/505328476.db2.gz IEGWOJQRMZPLRY-UHFFFAOYSA-N 1 2 367.449 3.373 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCc3occc3C2)cc1 ZINC000558179925 505328477 /nfs/dbraw/zinc/32/84/77/505328477.db2.gz IEGWOJQRMZPLRY-UHFFFAOYSA-N 1 2 367.449 3.373 20 30 FGEDLO N#Cc1ccc(Cl)cc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000564242269 505360800 /nfs/dbraw/zinc/36/08/00/505360800.db2.gz GWVQXHUEMFGKLE-UHFFFAOYSA-N 1 2 374.916 3.348 20 30 FGEDLO N#CC1(c2ccccn2)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000558594103 505433182 /nfs/dbraw/zinc/43/31/82/505433182.db2.gz BEVMBWLGKMBDIK-UHFFFAOYSA-N 1 2 371.444 3.024 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000555550444 505455232 /nfs/dbraw/zinc/45/52/32/505455232.db2.gz TVJXGGQHBBQWAN-QUCCMNQESA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000555550444 505455234 /nfs/dbraw/zinc/45/52/34/505455234.db2.gz TVJXGGQHBBQWAN-QUCCMNQESA-N 1 2 360.498 3.099 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1F ZINC000558724662 505474026 /nfs/dbraw/zinc/47/40/26/505474026.db2.gz SBDIPKOYSYBEDD-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1F ZINC000564732656 505505545 /nfs/dbraw/zinc/50/55/45/505505545.db2.gz VERWDZKQVURVPS-UHFFFAOYSA-N 1 2 358.413 3.363 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1F ZINC000564732656 505505550 /nfs/dbraw/zinc/50/55/50/505505550.db2.gz VERWDZKQVURVPS-UHFFFAOYSA-N 1 2 358.413 3.363 20 30 FGEDLO C=CCOc1ccc(CNC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000552706853 505539753 /nfs/dbraw/zinc/53/97/53/505539753.db2.gz SPIIPKYFYUNFOG-FQEVSTJZSA-N 1 2 360.498 3.005 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000564916746 505557613 /nfs/dbraw/zinc/55/76/13/505557613.db2.gz RBRCWZNPFHSWMH-OAHLLOKOSA-N 1 2 353.285 3.029 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000564916746 505557618 /nfs/dbraw/zinc/55/76/18/505557618.db2.gz RBRCWZNPFHSWMH-OAHLLOKOSA-N 1 2 353.285 3.029 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000593155292 506429401 /nfs/dbraw/zinc/42/94/01/506429401.db2.gz JYRIDEXLZNTCMH-INIZCTEOSA-N 1 2 358.269 3.112 20 30 FGEDLO Cc1cc(CN(C)c2cc(C)[nH+]c(N(C)Cc3cc(C)on3)c2C#N)no1 ZINC000589105357 506441767 /nfs/dbraw/zinc/44/17/67/506441767.db2.gz MAGXYUPILGFEHQ-UHFFFAOYSA-N 1 2 366.425 3.127 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)CC2 ZINC000599421961 506450134 /nfs/dbraw/zinc/45/01/34/506450134.db2.gz KHJCSFIIAZDXQG-ZFWWWQNUSA-N 1 2 362.355 3.154 20 30 FGEDLO COc1ccc(Br)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000589257739 506499049 /nfs/dbraw/zinc/49/90/49/506499049.db2.gz KABMSKIWYLYDCJ-KRWDZBQOSA-N 1 2 366.303 3.123 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589276231 506505355 /nfs/dbraw/zinc/50/53/55/506505355.db2.gz KHKJRNXIXZNANE-WDEREUQCSA-N 1 2 353.438 3.413 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589276231 506505362 /nfs/dbraw/zinc/50/53/62/506505362.db2.gz KHKJRNXIXZNANE-WDEREUQCSA-N 1 2 353.438 3.413 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)c1C#N ZINC000589287552 506507057 /nfs/dbraw/zinc/50/70/57/506507057.db2.gz PZQFAZOGYSRYNU-UHFFFAOYSA-N 1 2 364.877 3.480 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000612306571 506520994 /nfs/dbraw/zinc/52/09/94/506520994.db2.gz UJTSCBFKGHPQOE-OXQOHEQNSA-N 1 2 356.470 3.237 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599678246 506575276 /nfs/dbraw/zinc/57/52/76/506575276.db2.gz SCBLYJOBTIWOEL-AWEZNQCLSA-N 1 2 362.433 3.220 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599678246 506575284 /nfs/dbraw/zinc/57/52/84/506575284.db2.gz SCBLYJOBTIWOEL-AWEZNQCLSA-N 1 2 362.433 3.220 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000589517533 506575739 /nfs/dbraw/zinc/57/57/39/506575739.db2.gz JOPBOEBSGKAAIC-OAHLLOKOSA-N 1 2 356.495 3.120 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000589517533 506575746 /nfs/dbraw/zinc/57/57/46/506575746.db2.gz JOPBOEBSGKAAIC-OAHLLOKOSA-N 1 2 356.495 3.120 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000599685254 506579921 /nfs/dbraw/zinc/57/99/21/506579921.db2.gz CCFHJYJFJASLNB-JOCHJYFZSA-N 1 2 359.473 3.305 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000599685254 506579927 /nfs/dbraw/zinc/57/99/27/506579927.db2.gz CCFHJYJFJASLNB-JOCHJYFZSA-N 1 2 359.473 3.305 20 30 FGEDLO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000599694076 506585664 /nfs/dbraw/zinc/58/56/64/506585664.db2.gz GJALKEJBDVOOOM-VXGBXAGGSA-N 1 2 365.271 3.483 20 30 FGEDLO N#CC1(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCCC1 ZINC000593427905 506615524 /nfs/dbraw/zinc/61/55/24/506615524.db2.gz ZQKHHNRVHJUDGE-TWGQIWQCSA-N 1 2 352.482 3.111 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC(CC#N)CC1 ZINC000593463637 506634143 /nfs/dbraw/zinc/63/41/43/506634143.db2.gz ASUCOGGBQWOQKP-SFHVURJKSA-N 1 2 351.454 3.039 20 30 FGEDLO COc1cc(C[NH2+]CC(C)(C)C#N)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000612585212 506639057 /nfs/dbraw/zinc/63/90/57/506639057.db2.gz RLNFNINGFKPYGE-UHFFFAOYSA-N 1 2 361.320 3.184 20 30 FGEDLO COc1cccc(OC)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000589820296 506653744 /nfs/dbraw/zinc/65/37/44/506653744.db2.gz KZQHOJOEYDYZPE-IBGZPJMESA-N 1 2 351.450 3.086 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903272 506653784 /nfs/dbraw/zinc/65/37/84/506653784.db2.gz XQMIJCZENULFPP-CZUORRHYSA-N 1 2 367.453 3.073 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903272 506653789 /nfs/dbraw/zinc/65/37/89/506653789.db2.gz XQMIJCZENULFPP-CZUORRHYSA-N 1 2 367.453 3.073 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000596980705 506711067 /nfs/dbraw/zinc/71/10/67/506711067.db2.gz UEQGJLWZSVFTCO-UHFFFAOYSA-N 1 2 356.473 3.431 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)cc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000608886155 506737821 /nfs/dbraw/zinc/73/78/21/506737821.db2.gz ZXAOHJYYMJVALR-CHWSQXEVSA-N 1 2 357.845 3.227 20 30 FGEDLO Cc1c(Br)cncc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000597130657 506792966 /nfs/dbraw/zinc/79/29/66/506792966.db2.gz VDDKOAQIEASNJH-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1c(Br)cncc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000597130657 506792974 /nfs/dbraw/zinc/79/29/74/506792974.db2.gz VDDKOAQIEASNJH-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000597183596 506819996 /nfs/dbraw/zinc/81/99/96/506819996.db2.gz MPQNREZBGIOBCF-UHFFFAOYSA-N 1 2 367.453 3.267 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000594010396 506879834 /nfs/dbraw/zinc/87/98/34/506879834.db2.gz BOGJTHRPYYVDNF-JTQLQIEISA-N 1 2 358.225 3.000 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3Cc4cc(F)c(F)cc4C3)C2=O)cc1 ZINC000594030196 506894645 /nfs/dbraw/zinc/89/46/45/506894645.db2.gz AJESAIDVDPCVOO-IBGZPJMESA-N 1 2 353.372 3.348 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)CC1(C#N)CCOCC1 ZINC000597434858 506952368 /nfs/dbraw/zinc/95/23/68/506952368.db2.gz FIWGFBRELALMKU-QGZVFWFLSA-N 1 2 366.465 3.046 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609660046 506964889 /nfs/dbraw/zinc/96/48/89/506964889.db2.gz BIQCMGCQKZZXJJ-MRXNPFEDSA-N 1 2 360.417 3.152 20 30 FGEDLO N#CC1(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCOCC1 ZINC000597668838 507055287 /nfs/dbraw/zinc/05/52/87/507055287.db2.gz YMMGOVZGIBLWHG-UHFFFAOYSA-N 1 2 366.465 3.054 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000613411538 507076113 /nfs/dbraw/zinc/07/61/13/507076113.db2.gz OQWQNEOJAZZNQT-UHFFFAOYSA-N 1 2 351.454 3.094 20 30 FGEDLO Cc1cccc2c1ncc(C#N)c2NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000610211245 507139193 /nfs/dbraw/zinc/13/91/93/507139193.db2.gz GWZXMWUYUJWGFO-OAQYLSRUSA-N 1 2 372.472 3.322 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000610355276 507209931 /nfs/dbraw/zinc/20/99/31/507209931.db2.gz MWSOJJXKZGOUJT-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO Cc1ccc2[nH]c(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2c1C ZINC000613735479 507235131 /nfs/dbraw/zinc/23/51/31/507235131.db2.gz IPPYMYMAFRCKAU-HNNXBMFYSA-N 1 2 360.465 3.157 20 30 FGEDLO Cc1ccc2[nH]c(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2c1C ZINC000613735479 507235137 /nfs/dbraw/zinc/23/51/37/507235137.db2.gz IPPYMYMAFRCKAU-HNNXBMFYSA-N 1 2 360.465 3.157 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000610486110 507258741 /nfs/dbraw/zinc/25/87/41/507258741.db2.gz MEBQJGRNWBAWSN-INIZCTEOSA-N 1 2 366.440 3.015 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c1C#N ZINC000610662129 507336049 /nfs/dbraw/zinc/33/60/49/507336049.db2.gz LVEFYJCDQGLZQS-UHFFFAOYSA-N 1 2 368.485 3.275 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c1C#N ZINC000610662129 507336056 /nfs/dbraw/zinc/33/60/56/507336056.db2.gz LVEFYJCDQGLZQS-UHFFFAOYSA-N 1 2 368.485 3.275 20 30 FGEDLO Cc1cc(F)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000610711723 507359324 /nfs/dbraw/zinc/35/93/24/507359324.db2.gz KUDIIYPGCVSFSP-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@H](C)CO2)c1 ZINC000584470500 507362502 /nfs/dbraw/zinc/36/25/02/507362502.db2.gz GWZLMJGSXKMKJM-UZLBHIALSA-N 1 2 361.449 3.180 20 30 FGEDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@H](C)CO2)c1 ZINC000584470500 507362508 /nfs/dbraw/zinc/36/25/08/507362508.db2.gz GWZLMJGSXKMKJM-UZLBHIALSA-N 1 2 361.449 3.180 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000584478871 507367316 /nfs/dbraw/zinc/36/73/16/507367316.db2.gz DMSPZJUGRMQCOQ-LSDHHAIUSA-N 1 2 364.371 3.400 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000591833912 507384831 /nfs/dbraw/zinc/38/48/31/507384831.db2.gz SPFKTKFVSOLKGA-UHFFFAOYSA-N 1 2 360.417 3.235 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cn21 ZINC000592033526 507459971 /nfs/dbraw/zinc/45/99/71/507459971.db2.gz DEOJMQXBXHRUIQ-HXUWFJFHSA-N 1 2 373.460 3.434 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000595438928 507497619 /nfs/dbraw/zinc/49/76/19/507497619.db2.gz KLTSDLSINQGXGC-KRWDZBQOSA-N 1 2 351.454 3.283 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152026 507509792 /nfs/dbraw/zinc/50/97/92/507509792.db2.gz SRWCCNYUGIIPPU-QFYYESIMSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152026 507509802 /nfs/dbraw/zinc/50/98/02/507509802.db2.gz SRWCCNYUGIIPPU-QFYYESIMSA-N 1 2 367.236 3.455 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520170 507541390 /nfs/dbraw/zinc/54/13/90/507541390.db2.gz YRGDPYYOJUVVAQ-QWHCGFSZSA-N 1 2 361.877 3.217 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520170 507541398 /nfs/dbraw/zinc/54/13/98/507541398.db2.gz YRGDPYYOJUVVAQ-QWHCGFSZSA-N 1 2 361.877 3.217 20 30 FGEDLO N#CCCN1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000611176004 507547478 /nfs/dbraw/zinc/54/74/78/507547478.db2.gz QOJBCFFDTRIQGY-FQEVSTJZSA-N 1 2 373.460 3.357 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)NCC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000595550288 507556879 /nfs/dbraw/zinc/55/68/79/507556879.db2.gz PBJQJWLHBIFKFN-MRXNPFEDSA-N 1 2 364.440 3.341 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)cc1 ZINC000611239758 507576140 /nfs/dbraw/zinc/57/61/40/507576140.db2.gz JWHXOAFUAYTQEM-UHFFFAOYSA-N 1 2 372.472 3.373 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n(-c2ccc(C)cc2)n1 ZINC000595614408 507592000 /nfs/dbraw/zinc/59/20/00/507592000.db2.gz HOIAYENCIRZYNZ-KRWDZBQOSA-N 1 2 351.454 3.053 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n(-c2ccc(C)cc2)n1 ZINC000595614408 507592004 /nfs/dbraw/zinc/59/20/04/507592004.db2.gz HOIAYENCIRZYNZ-KRWDZBQOSA-N 1 2 351.454 3.053 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620708 507596219 /nfs/dbraw/zinc/59/62/19/507596219.db2.gz PEBYWYXHXOVZIW-CABCVRRESA-N 1 2 356.495 3.269 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620708 507596220 /nfs/dbraw/zinc/59/62/20/507596220.db2.gz PEBYWYXHXOVZIW-CABCVRRESA-N 1 2 356.495 3.269 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595620066 507596560 /nfs/dbraw/zinc/59/65/60/507596560.db2.gz ACTNPGBKFLVAMX-OLZOCXBDSA-N 1 2 360.763 3.385 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595620066 507596563 /nfs/dbraw/zinc/59/65/63/507596563.db2.gz ACTNPGBKFLVAMX-OLZOCXBDSA-N 1 2 360.763 3.385 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000585753486 507615764 /nfs/dbraw/zinc/61/57/64/507615764.db2.gz NATHAEWRDLDQNX-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000611347408 507632784 /nfs/dbraw/zinc/63/27/84/507632784.db2.gz ABFDBAYXZIHISF-MRXNPFEDSA-N 1 2 366.465 3.216 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000611347408 507632788 /nfs/dbraw/zinc/63/27/88/507632788.db2.gz ABFDBAYXZIHISF-MRXNPFEDSA-N 1 2 366.465 3.216 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccc4)no3)CCOCC2)c1 ZINC000595772198 507677382 /nfs/dbraw/zinc/67/73/82/507677382.db2.gz GTKKSDQMDWJQOC-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000592523128 507693780 /nfs/dbraw/zinc/69/37/80/507693780.db2.gz WAFZVKDJMGERIQ-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000592523128 507693785 /nfs/dbraw/zinc/69/37/85/507693785.db2.gz WAFZVKDJMGERIQ-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000588009266 507731392 /nfs/dbraw/zinc/73/13/92/507731392.db2.gz CIXIBSYFFRKDTN-ZWKOTPCHSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000588009266 507731396 /nfs/dbraw/zinc/73/13/96/507731396.db2.gz CIXIBSYFFRKDTN-ZWKOTPCHSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1cccn2c(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)c[nH+]c12 ZINC000822367028 599114121 /nfs/dbraw/zinc/11/41/21/599114121.db2.gz ZDWHKJCPHOFEKT-UVTDQMKNSA-N 1 2 356.389 3.035 20 30 FGEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000112161010 700555285 /nfs/dbraw/zinc/55/52/85/700555285.db2.gz MFVBXJHHJBJPJT-CPNJWEJPSA-N 1 2 363.483 3.471 20 30 FGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(N(C)C(C)=O)CC2)c1=S ZINC000128751647 700779374 /nfs/dbraw/zinc/77/93/74/700779374.db2.gz CLCLOVZYJRSPPB-UHFFFAOYSA-N 1 2 358.511 3.258 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000185618689 712698341 /nfs/dbraw/zinc/69/83/41/712698341.db2.gz HPMVZZRWNSHYLF-HZPDHXFCSA-N 1 2 356.495 3.313 20 30 FGEDLO CC[N@H+](Cc1cccc(Br)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488283436 714100781 /nfs/dbraw/zinc/10/07/81/714100781.db2.gz TVQZMZABGMUSNJ-KRWDZBQOSA-N 1 2 372.266 3.369 20 30 FGEDLO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488283436 714100784 /nfs/dbraw/zinc/10/07/84/714100784.db2.gz TVQZMZABGMUSNJ-KRWDZBQOSA-N 1 2 372.266 3.369 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000526058628 714400851 /nfs/dbraw/zinc/40/08/51/714400851.db2.gz PNHXLSSRZHKSSG-ZFWWWQNUSA-N 1 2 354.479 3.384 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000526058628 714400855 /nfs/dbraw/zinc/40/08/55/714400855.db2.gz PNHXLSSRZHKSSG-ZFWWWQNUSA-N 1 2 354.479 3.384 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000779153522 724395759 /nfs/dbraw/zinc/39/57/59/724395759.db2.gz FOAYQNXRNJRJGW-CQSZACIVSA-N 1 2 350.846 3.063 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000779153522 724395761 /nfs/dbraw/zinc/39/57/61/724395761.db2.gz FOAYQNXRNJRJGW-CQSZACIVSA-N 1 2 350.846 3.063 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626027878 715832133 /nfs/dbraw/zinc/83/21/33/715832133.db2.gz NOCPSBKJVFSPIJ-OAHLLOKOSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000626027878 715832137 /nfs/dbraw/zinc/83/21/37/715832137.db2.gz NOCPSBKJVFSPIJ-OAHLLOKOSA-N 1 2 356.491 3.415 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1OC ZINC000628288609 716135513 /nfs/dbraw/zinc/13/55/13/716135513.db2.gz OWYIYKDVAKHCHH-CYBMUJFWSA-N 1 2 361.816 3.363 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1OC ZINC000628288609 716135518 /nfs/dbraw/zinc/13/55/18/716135518.db2.gz OWYIYKDVAKHCHH-CYBMUJFWSA-N 1 2 361.816 3.363 20 30 FGEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H](C)COC ZINC000661238373 720213289 /nfs/dbraw/zinc/21/32/89/720213289.db2.gz BTSDMMAPIFVCRP-NSHDSACASA-N 1 2 366.259 3.031 20 30 FGEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H](C)COC ZINC000661238373 720213293 /nfs/dbraw/zinc/21/32/93/720213293.db2.gz BTSDMMAPIFVCRP-NSHDSACASA-N 1 2 366.259 3.031 20 30 FGEDLO C=CCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000665942002 720848869 /nfs/dbraw/zinc/84/88/69/720848869.db2.gz APUOATOLZGGUFD-UHFFFAOYSA-N 1 2 367.247 3.027 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679871965 722051594 /nfs/dbraw/zinc/05/15/94/722051594.db2.gz DESFTAAJQPUXDY-DOTOQJQBSA-N 1 2 355.404 3.457 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679871965 722051598 /nfs/dbraw/zinc/05/15/98/722051598.db2.gz DESFTAAJQPUXDY-DOTOQJQBSA-N 1 2 355.404 3.457 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCc1cccc2ccccc21 ZINC000730280712 722466693 /nfs/dbraw/zinc/46/66/93/722466693.db2.gz ZBXVUDAUIVFDST-FQEVSTJZSA-N 1 2 352.503 3.287 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCc1cccc2ccccc21 ZINC000730280712 722466694 /nfs/dbraw/zinc/46/66/94/722466694.db2.gz ZBXVUDAUIVFDST-FQEVSTJZSA-N 1 2 352.503 3.287 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccccc2OCC(F)(F)F)cc1 ZINC000742462078 722557554 /nfs/dbraw/zinc/55/75/54/722557554.db2.gz LJOSCMFONJQKFW-UHFFFAOYSA-N 1 2 354.328 3.473 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745089823 722583472 /nfs/dbraw/zinc/58/34/72/722583472.db2.gz ROEIBNJWCSTYLJ-WBVHZDCISA-N 1 2 364.511 3.069 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745089823 722583473 /nfs/dbraw/zinc/58/34/73/722583473.db2.gz ROEIBNJWCSTYLJ-WBVHZDCISA-N 1 2 364.511 3.069 20 30 FGEDLO CCCCCCC[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745704604 722589703 /nfs/dbraw/zinc/58/97/03/722589703.db2.gz KSRVGSJPANQZER-MOPGFXCFSA-N 1 2 353.551 3.489 20 30 FGEDLO COC(=O)c1cccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1C#N ZINC000755815074 722957297 /nfs/dbraw/zinc/95/72/97/722957297.db2.gz YXLRFPDEXDHDET-UHFFFAOYSA-N 1 2 357.797 3.239 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000759842956 723023756 /nfs/dbraw/zinc/02/37/56/723023756.db2.gz FMHALYZVOOVXLL-SFHVURJKSA-N 1 2 360.816 3.064 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000759842956 723023757 /nfs/dbraw/zinc/02/37/57/723023757.db2.gz FMHALYZVOOVXLL-SFHVURJKSA-N 1 2 360.816 3.064 20 30 FGEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792364522 723332847 /nfs/dbraw/zinc/33/28/47/723332847.db2.gz FWRWCFRSLYFUQQ-KRWDZBQOSA-N 1 2 364.287 3.347 20 30 FGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792364522 723332849 /nfs/dbraw/zinc/33/28/49/723332849.db2.gz FWRWCFRSLYFUQQ-KRWDZBQOSA-N 1 2 364.287 3.347 20 30 FGEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000796522656 723641372 /nfs/dbraw/zinc/64/13/72/723641372.db2.gz OCXQBWKNXVQYQP-GFCCVEGCSA-N 1 2 361.795 3.409 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC(C)=C(Br)C1 ZINC000797527564 723830584 /nfs/dbraw/zinc/83/05/84/723830584.db2.gz CMYNOCPBZUNFJV-UHFFFAOYSA-N 1 2 351.244 3.320 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC(C)=C(Br)C1 ZINC000797527564 723830592 /nfs/dbraw/zinc/83/05/92/723830592.db2.gz CMYNOCPBZUNFJV-UHFFFAOYSA-N 1 2 351.244 3.320 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cn1 ZINC000801552600 724312521 /nfs/dbraw/zinc/31/25/21/724312521.db2.gz FJIHAILDQBXDNM-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000801839384 724338909 /nfs/dbraw/zinc/33/89/09/724338909.db2.gz NGTJNXPSASFPKQ-UHFFFAOYSA-N 1 2 354.233 3.065 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801987021 724352569 /nfs/dbraw/zinc/35/25/69/724352569.db2.gz NDGHWJXGKABPAN-XGHPXPSOSA-N 1 2 350.409 3.181 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801987021 724352574 /nfs/dbraw/zinc/35/25/74/724352574.db2.gz NDGHWJXGKABPAN-XGHPXPSOSA-N 1 2 350.409 3.181 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811500478 725369942 /nfs/dbraw/zinc/36/99/42/725369942.db2.gz DQUPDIPMHRLGIM-CYBMUJFWSA-N 1 2 350.488 3.142 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811500478 725369944 /nfs/dbraw/zinc/36/99/44/725369944.db2.gz DQUPDIPMHRLGIM-CYBMUJFWSA-N 1 2 350.488 3.142 20 30 FGEDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000811645635 725375641 /nfs/dbraw/zinc/37/56/41/725375641.db2.gz UMSDIGYMAICQNM-TXEJJXNPSA-N 1 2 356.213 3.096 20 30 FGEDLO Cc1cc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Cl ZINC000825510233 729386014 /nfs/dbraw/zinc/38/60/14/729386014.db2.gz XVHSBHRUJIBCGE-UKRRQHHQSA-N 1 2 365.861 3.203 20 30 FGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(F)c(C(=O)OC)c2)s1 ZINC000835012777 729849845 /nfs/dbraw/zinc/84/98/45/729849845.db2.gz ZTFQNEPAOUFOPC-UHFFFAOYSA-N 1 2 350.419 3.361 20 30 FGEDLO C=C(C)CONC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844285885 730697937 /nfs/dbraw/zinc/69/79/37/730697937.db2.gz LZFANZJCAWBUKR-OAHLLOKOSA-N 1 2 355.841 3.423 20 30 FGEDLO CC(=NNCCCn1cc[nH+]c1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000848417725 731162074 /nfs/dbraw/zinc/16/20/74/731162074.db2.gz DVRXXTJRBZILAK-UHFFFAOYSA-N 1 2 356.861 3.435 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nn(CC)nc2C)cc1OC ZINC000858182941 732189976 /nfs/dbraw/zinc/18/99/76/732189976.db2.gz NIKTZDMEZRPAAV-UHFFFAOYSA-N 1 2 350.850 3.123 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)cn1 ZINC000862421104 732830658 /nfs/dbraw/zinc/83/06/58/732830658.db2.gz HFVKKHHSNJJVLM-UHFFFAOYSA-N 1 2 364.421 3.324 20 30 FGEDLO CC(C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc2cc(Cl)ccc2o1 ZINC000879157791 736961983 /nfs/dbraw/zinc/96/19/83/736961983.db2.gz QECLMVDXSGYIIY-SFHVURJKSA-N 1 2 360.845 3.114 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700784 737034726 /nfs/dbraw/zinc/03/47/26/737034726.db2.gz MXRCIPMABDEXQH-ZFWWWQNUSA-N 1 2 362.499 3.236 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700784 737034732 /nfs/dbraw/zinc/03/47/32/737034732.db2.gz MXRCIPMABDEXQH-ZFWWWQNUSA-N 1 2 362.499 3.236 20 30 FGEDLO C=CCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000904652389 743966345 /nfs/dbraw/zinc/96/63/45/743966345.db2.gz ALBAGEJKDXMXCG-CYBMUJFWSA-N 1 2 355.847 3.053 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000905618602 744037343 /nfs/dbraw/zinc/03/73/43/744037343.db2.gz BGEQHUULMYMVRG-UHFFFAOYSA-N 1 2 365.915 3.216 20 30 FGEDLO Cc1ccc(NC(=S)N[NH+]=Cc2ccccc2N2CCOCC2)cc1 ZINC000912783753 757374401 /nfs/dbraw/zinc/37/44/01/757374401.db2.gz WOQBBGQVUUNQSU-UHFFFAOYSA-N 1 2 354.479 3.152 20 30 FGEDLO Fc1cc2[nH]c([N-][NH+]=Cc3ccc(N4CCOCC4)s3)[nH+]c2cc1F ZINC000912825143 757381274 /nfs/dbraw/zinc/38/12/74/757381274.db2.gz HSLLHXXYYQMABH-UHFFFAOYSA-N 1 2 363.393 3.185 20 30 FGEDLO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000924721768 759376985 /nfs/dbraw/zinc/37/69/85/759376985.db2.gz OVUGCACHVOPQPV-GOSISDBHSA-N 1 2 358.463 3.049 20 30 FGEDLO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1cccc(C#N)c1O ZINC000927004510 759874360 /nfs/dbraw/zinc/87/43/60/759874360.db2.gz GAYCJCPPIHFOJG-LLVKDONJSA-N 1 2 361.243 3.063 20 30 FGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000930520889 760632006 /nfs/dbraw/zinc/63/20/06/760632006.db2.gz RKKUZBLFEKOWTH-LLVKDONJSA-N 1 2 359.779 3.102 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932363800 761149083 /nfs/dbraw/zinc/14/90/83/761149083.db2.gz KDMPWDCEFDOARX-GOSISDBHSA-N 1 2 354.479 3.434 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932810713 761249754 /nfs/dbraw/zinc/24/97/54/761249754.db2.gz DCOFYBHAVOKJBL-YOEHRIQHSA-N 1 2 362.271 3.176 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932810713 761249757 /nfs/dbraw/zinc/24/97/57/761249757.db2.gz DCOFYBHAVOKJBL-YOEHRIQHSA-N 1 2 362.271 3.176 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001007639046 765611237 /nfs/dbraw/zinc/61/12/37/765611237.db2.gz WTJPHCDQYDBLFL-BFHYXJOUSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001007639046 765611240 /nfs/dbraw/zinc/61/12/40/765611240.db2.gz WTJPHCDQYDBLFL-BFHYXJOUSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001023376161 766034495 /nfs/dbraw/zinc/03/44/95/766034495.db2.gz XJGUSXZPXZNWEM-ZKHUQFRZSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001023376161 766034500 /nfs/dbraw/zinc/03/45/00/766034500.db2.gz XJGUSXZPXZNWEM-ZKHUQFRZSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024707096 766063787 /nfs/dbraw/zinc/06/37/87/766063787.db2.gz JXISXCUJBHOUQD-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024707096 766063796 /nfs/dbraw/zinc/06/37/96/766063796.db2.gz JXISXCUJBHOUQD-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027417618 766092446 /nfs/dbraw/zinc/09/24/46/766092446.db2.gz DTCMZXLZFQECPD-YYIAUSFCSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027417618 766092454 /nfs/dbraw/zinc/09/24/54/766092454.db2.gz DTCMZXLZFQECPD-YYIAUSFCSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033984139 766230938 /nfs/dbraw/zinc/23/09/38/766230938.db2.gz KAKNOUISSOTMMR-NZSAHSFTSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033984139 766230942 /nfs/dbraw/zinc/23/09/42/766230942.db2.gz KAKNOUISSOTMMR-NZSAHSFTSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038794774 766286624 /nfs/dbraw/zinc/28/66/24/766286624.db2.gz GEMNPSBKDBXZQA-KEYYUXOJSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038794774 766286630 /nfs/dbraw/zinc/28/66/30/766286630.db2.gz GEMNPSBKDBXZQA-KEYYUXOJSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707056 766803174 /nfs/dbraw/zinc/80/31/74/766803174.db2.gz BVFMJUJJONXVFK-WCVJEAGWSA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049707056 766803187 /nfs/dbraw/zinc/80/31/87/766803187.db2.gz BVFMJUJJONXVFK-WCVJEAGWSA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(C)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000071801966 221377266 /nfs/dbraw/zinc/37/72/66/221377266.db2.gz IMUWLQBFRMTHMB-UHFFFAOYSA-N 1 2 362.474 3.085 20 30 FGEDLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995433 505592762 /nfs/dbraw/zinc/59/27/62/505592762.db2.gz KGACHVRHSXXGOH-KRWDZBQOSA-N 1 2 362.886 3.346 20 30 FGEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000570869370 505599972 /nfs/dbraw/zinc/59/99/72/505599972.db2.gz UJQWEEWTFMMSDL-QFIPXVFZSA-N 1 2 374.488 3.370 20 30 FGEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000570869370 505599974 /nfs/dbraw/zinc/59/99/74/505599974.db2.gz UJQWEEWTFMMSDL-QFIPXVFZSA-N 1 2 374.488 3.370 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccs1 ZINC000571067381 505645712 /nfs/dbraw/zinc/64/57/12/505645712.db2.gz QLARBXOMNIDDII-CYBMUJFWSA-N 1 2 350.513 3.005 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccs1 ZINC000571067381 505645717 /nfs/dbraw/zinc/64/57/17/505645717.db2.gz QLARBXOMNIDDII-CYBMUJFWSA-N 1 2 350.513 3.005 20 30 FGEDLO C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000048246357 493807506 /nfs/dbraw/zinc/80/75/06/493807506.db2.gz GJTMOJZRVYFFPU-BEFAXECRSA-N 1 2 359.433 3.442 20 30 FGEDLO CC[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000057860694 493809437 /nfs/dbraw/zinc/80/94/37/493809437.db2.gz LDGHFKDMYUAUES-LJQANCHMSA-N 1 2 369.490 3.016 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(C#N)c1C ZINC000029119669 493818546 /nfs/dbraw/zinc/81/85/46/493818546.db2.gz CWVAUKJFLALDCW-FQEVSTJZSA-N 1 2 360.417 3.481 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000029452115 493839637 /nfs/dbraw/zinc/83/96/37/493839637.db2.gz FHOQLHNBNRFVLA-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000058397730 493849045 /nfs/dbraw/zinc/84/90/45/493849045.db2.gz KZBBPNQIQYABBC-UHFFFAOYSA-N 1 2 351.450 3.060 20 30 FGEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000058397730 493849049 /nfs/dbraw/zinc/84/90/49/493849049.db2.gz KZBBPNQIQYABBC-UHFFFAOYSA-N 1 2 351.450 3.060 20 30 FGEDLO Cc1ccccc1C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058782608 493883927 /nfs/dbraw/zinc/88/39/27/493883927.db2.gz RTVBVAMOYWTXQN-UHFFFAOYSA-N 1 2 361.489 3.489 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000050089403 493895976 /nfs/dbraw/zinc/89/59/76/493895976.db2.gz ZBTIYQZVQUZFRC-UHFFFAOYSA-N 1 2 365.368 3.213 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000060356287 493926097 /nfs/dbraw/zinc/92/60/97/493926097.db2.gz GGVOQCBVSYWSOZ-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1Cl ZINC000568427628 505691533 /nfs/dbraw/zinc/69/15/33/505691533.db2.gz GLRMVCIPPUMFHU-ZDUSSCGKSA-N 1 2 362.811 3.383 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1Cl ZINC000568427628 505691536 /nfs/dbraw/zinc/69/15/36/505691536.db2.gz GLRMVCIPPUMFHU-ZDUSSCGKSA-N 1 2 362.811 3.383 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000083138826 493999990 /nfs/dbraw/zinc/99/99/90/493999990.db2.gz LOGMWZAZCKWBIZ-RTWAWAEBSA-N 1 2 364.445 3.218 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3snc(Cl)c3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052219363 494012812 /nfs/dbraw/zinc/01/28/12/494012812.db2.gz FDCJHBBBCGHHKP-QWRGUYRKSA-N 1 2 363.874 3.289 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000062905680 494023740 /nfs/dbraw/zinc/02/37/40/494023740.db2.gz GUKXGCDMUCAPNY-HXUWFJFHSA-N 1 2 360.461 3.384 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc2c(c1)OCO2 ZINC000007641386 494032103 /nfs/dbraw/zinc/03/21/03/494032103.db2.gz CXVKKVKGYGVCMR-UHFFFAOYSA-N 1 2 369.446 3.101 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc2c(c1)OCO2 ZINC000007641386 494032106 /nfs/dbraw/zinc/03/21/06/494032106.db2.gz CXVKKVKGYGVCMR-UHFFFAOYSA-N 1 2 369.446 3.101 20 30 FGEDLO C=CC[N@@H+](Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)Cc1ccccc1 ZINC000052579286 494041621 /nfs/dbraw/zinc/04/16/21/494041621.db2.gz LRVZRJJGPRGEHK-UHFFFAOYSA-N 1 2 373.460 3.078 20 30 FGEDLO C=CC[N@H+](Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)Cc1ccccc1 ZINC000052579286 494041624 /nfs/dbraw/zinc/04/16/24/494041624.db2.gz LRVZRJJGPRGEHK-UHFFFAOYSA-N 1 2 373.460 3.078 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)Cc1cccc(C#N)c1 ZINC000063299857 494042410 /nfs/dbraw/zinc/04/24/10/494042410.db2.gz VVQRMBSXXAQEJK-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(COC)cc1)Cc1cccc(C#N)c1 ZINC000063299857 494042411 /nfs/dbraw/zinc/04/24/11/494042411.db2.gz VVQRMBSXXAQEJK-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000010141808 494144849 /nfs/dbraw/zinc/14/48/49/494144849.db2.gz ITDGWIWFTKZVIX-CQSZACIVSA-N 1 2 353.422 3.034 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000010141808 494144851 /nfs/dbraw/zinc/14/48/51/494144851.db2.gz ITDGWIWFTKZVIX-CQSZACIVSA-N 1 2 353.422 3.034 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898024 494278698 /nfs/dbraw/zinc/27/86/98/494278698.db2.gz SZTISXVRUCWWSR-IRXDYDNUSA-N 1 2 350.447 3.028 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898024 494278702 /nfs/dbraw/zinc/27/87/02/494278702.db2.gz SZTISXVRUCWWSR-IRXDYDNUSA-N 1 2 350.447 3.028 20 30 FGEDLO C=CC[N@@H+](CCOc1cccc(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072964119 494292033 /nfs/dbraw/zinc/29/20/33/494292033.db2.gz WCDVVPOXJQADKR-QGZVFWFLSA-N 1 2 351.512 3.038 20 30 FGEDLO C=CC[N@H+](CCOc1cccc(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072964119 494292035 /nfs/dbraw/zinc/29/20/35/494292035.db2.gz WCDVVPOXJQADKR-QGZVFWFLSA-N 1 2 351.512 3.038 20 30 FGEDLO CC[N@H+](CCCNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089605287 494331407 /nfs/dbraw/zinc/33/14/07/494331407.db2.gz TWGMOEVZZBLMGX-UHFFFAOYSA-N 1 2 351.450 3.164 20 30 FGEDLO CC[N@@H+](CCCNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000089605287 494331410 /nfs/dbraw/zinc/33/14/10/494331410.db2.gz TWGMOEVZZBLMGX-UHFFFAOYSA-N 1 2 351.450 3.164 20 30 FGEDLO C=CC[N@H+](CCCOc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000066559751 494355168 /nfs/dbraw/zinc/35/51/68/494355168.db2.gz UIDGMLNOAHNDBT-GOSISDBHSA-N 1 2 359.491 3.284 20 30 FGEDLO C=CC[N@@H+](CCCOc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000066559751 494355170 /nfs/dbraw/zinc/35/51/70/494355170.db2.gz UIDGMLNOAHNDBT-GOSISDBHSA-N 1 2 359.491 3.284 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000066563270 494356133 /nfs/dbraw/zinc/35/61/33/494356133.db2.gz AUJDOYQQLRPULW-AWEZNQCLSA-N 1 2 360.458 3.358 20 30 FGEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000066563270 494356135 /nfs/dbraw/zinc/35/61/35/494356135.db2.gz AUJDOYQQLRPULW-AWEZNQCLSA-N 1 2 360.458 3.358 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1C ZINC000078780328 494359652 /nfs/dbraw/zinc/35/96/52/494359652.db2.gz JITQBSFZGDPZTN-UHFFFAOYSA-N 1 2 358.438 3.294 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1C ZINC000078780328 494359655 /nfs/dbraw/zinc/35/96/55/494359655.db2.gz JITQBSFZGDPZTN-UHFFFAOYSA-N 1 2 358.438 3.294 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1OC ZINC000066966001 494447774 /nfs/dbraw/zinc/44/77/74/494447774.db2.gz MPLVTYAENCSJQR-UHFFFAOYSA-N 1 2 367.449 3.185 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(N)cc(C)[nH+]2)c1 ZINC000074341016 494521870 /nfs/dbraw/zinc/52/18/70/494521870.db2.gz WAGPERXAEZHJOV-OAHLLOKOSA-N 1 2 369.494 3.412 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@H](C)O1 ZINC000067367985 494524320 /nfs/dbraw/zinc/52/43/20/494524320.db2.gz ZQGLXNUHCBLPMY-STQMWFEESA-N 1 2 357.845 3.227 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052956 494627676 /nfs/dbraw/zinc/62/76/76/494627676.db2.gz MNXFIEHYKKWOIO-QGZVFWFLSA-N 1 2 373.460 3.018 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000075006347 494672029 /nfs/dbraw/zinc/67/20/29/494672029.db2.gz KZLVIPSYXTWCSU-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000075006347 494672038 /nfs/dbraw/zinc/67/20/38/494672038.db2.gz KZLVIPSYXTWCSU-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025410561 494735538 /nfs/dbraw/zinc/73/55/38/494735538.db2.gz XZTIWEZOOVUFLQ-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025410561 494735550 /nfs/dbraw/zinc/73/55/50/494735550.db2.gz XZTIWEZOOVUFLQ-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO Cc1cc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000057427466 494742196 /nfs/dbraw/zinc/74/21/96/494742196.db2.gz MSROMSWNHOVWIR-UHFFFAOYSA-N 1 2 355.486 3.031 20 30 FGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040395 494766340 /nfs/dbraw/zinc/76/63/40/494766340.db2.gz MINLQTXHTAUEBF-QUCCMNQESA-N 1 2 355.434 3.006 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040395 494766345 /nfs/dbraw/zinc/76/63/45/494766345.db2.gz MINLQTXHTAUEBF-QUCCMNQESA-N 1 2 355.434 3.006 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 ZINC000092168875 494804161 /nfs/dbraw/zinc/80/41/61/494804161.db2.gz OVUFCEBGOFEXGY-UHFFFAOYSA-N 1 2 354.450 3.419 20 30 FGEDLO Cc1ccc(-c2cnc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000075645103 494809463 /nfs/dbraw/zinc/80/94/63/494809463.db2.gz NLXSVXUWNQIISB-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000026323626 494817922 /nfs/dbraw/zinc/81/79/22/494817922.db2.gz QPIIKVPAJWFMER-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000026323626 494817932 /nfs/dbraw/zinc/81/79/32/494817932.db2.gz QPIIKVPAJWFMER-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(OC)cc1Cl ZINC000026328741 494818676 /nfs/dbraw/zinc/81/86/76/494818676.db2.gz MARDNZAYPUBAFC-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)cc1Cl ZINC000026328741 494818680 /nfs/dbraw/zinc/81/86/80/494818680.db2.gz MARDNZAYPUBAFC-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000116611010 494824480 /nfs/dbraw/zinc/82/44/80/494824480.db2.gz DOSYXGGSMZPQHA-UHFFFAOYSA-N 1 2 371.425 3.376 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N[C@H](C#N)C3CC3)cn2c1 ZINC000109065626 494825614 /nfs/dbraw/zinc/82/56/14/494825614.db2.gz SIWCIAYOUSPHCV-GOSISDBHSA-N 1 2 360.417 3.254 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093100089 494826590 /nfs/dbraw/zinc/82/65/90/494826590.db2.gz QLWDKCUXXDFFAO-UHFFFAOYSA-N 1 2 359.382 3.225 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093100089 494826592 /nfs/dbraw/zinc/82/65/92/494826592.db2.gz QLWDKCUXXDFFAO-UHFFFAOYSA-N 1 2 359.382 3.225 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cn2c1 ZINC000116807749 494856045 /nfs/dbraw/zinc/85/60/45/494856045.db2.gz YYIMDYJAJVMYSU-LIRRHRJNSA-N 1 2 356.495 3.465 20 30 FGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132457656 494877636 /nfs/dbraw/zinc/87/76/36/494877636.db2.gz BRJAPJHRIFMXPR-NSHDSACASA-N 1 2 352.822 3.240 20 30 FGEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574326097 505747665 /nfs/dbraw/zinc/74/76/65/505747665.db2.gz AFNLIBCEAZQAID-CYBMUJFWSA-N 1 2 358.385 3.058 20 30 FGEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574326097 505747669 /nfs/dbraw/zinc/74/76/69/505747669.db2.gz AFNLIBCEAZQAID-CYBMUJFWSA-N 1 2 358.385 3.058 20 30 FGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000580392808 505748040 /nfs/dbraw/zinc/74/80/40/505748040.db2.gz QEOWQZJWYMGAPS-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606359 494903168 /nfs/dbraw/zinc/90/31/68/494903168.db2.gz ZVOFGXBDDZIREF-AUUYWEPGSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606359 494903172 /nfs/dbraw/zinc/90/31/72/494903172.db2.gz ZVOFGXBDDZIREF-AUUYWEPGSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606359 494903174 /nfs/dbraw/zinc/90/31/74/494903174.db2.gz ZVOFGXBDDZIREF-AUUYWEPGSA-N 1 2 350.397 3.307 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351933 494913428 /nfs/dbraw/zinc/91/34/28/494913428.db2.gz DCKXDPSSBRUUDE-CMPLNLGQSA-N 1 2 373.341 3.246 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351933 494913432 /nfs/dbraw/zinc/91/34/32/494913432.db2.gz DCKXDPSSBRUUDE-CMPLNLGQSA-N 1 2 373.341 3.246 20 30 FGEDLO COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000117710333 494948265 /nfs/dbraw/zinc/94/82/65/494948265.db2.gz CGAGFVZSFPSGOR-AWEZNQCLSA-N 1 2 371.824 3.437 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000122465390 494980057 /nfs/dbraw/zinc/98/00/57/494980057.db2.gz YJSWSBPXAJUADJ-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000122465390 494980063 /nfs/dbraw/zinc/98/00/63/494980063.db2.gz YJSWSBPXAJUADJ-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127710206 494985389 /nfs/dbraw/zinc/98/53/89/494985389.db2.gz GGUWGBYFHUYQSD-FPOVZHCZSA-N 1 2 369.415 3.331 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127710206 494985392 /nfs/dbraw/zinc/98/53/92/494985392.db2.gz GGUWGBYFHUYQSD-FPOVZHCZSA-N 1 2 369.415 3.331 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000122669918 495013044 /nfs/dbraw/zinc/01/30/44/495013044.db2.gz GTIIGXADWLEERA-OALUTQOASA-N 1 2 354.454 3.004 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000110982139 495027798 /nfs/dbraw/zinc/02/77/98/495027798.db2.gz ODYBOGZVMLSAOV-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000110982139 495027799 /nfs/dbraw/zinc/02/77/99/495027799.db2.gz ODYBOGZVMLSAOV-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122964762 495060890 /nfs/dbraw/zinc/06/08/90/495060890.db2.gz NGSNLEUNTHQPNM-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000568725262 505762526 /nfs/dbraw/zinc/76/25/26/505762526.db2.gz SHQUQRJUSKHSBF-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000568725262 505762530 /nfs/dbraw/zinc/76/25/30/505762530.db2.gz SHQUQRJUSKHSBF-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000102407970 495134587 /nfs/dbraw/zinc/13/45/87/495134587.db2.gz PHRVCZOFWKFHTD-UHFFFAOYSA-N 1 2 364.367 3.288 20 30 FGEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccoc1 ZINC000102407970 495134588 /nfs/dbraw/zinc/13/45/88/495134588.db2.gz PHRVCZOFWKFHTD-UHFFFAOYSA-N 1 2 364.367 3.288 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000571579655 505765995 /nfs/dbraw/zinc/76/59/95/505765995.db2.gz IWRCKMFZSRZPNH-ZDUSSCGKSA-N 1 2 353.388 3.288 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000119565005 495192347 /nfs/dbraw/zinc/19/23/47/495192347.db2.gz SBFSQDTZJFURIX-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO C=C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000123851730 495197220 /nfs/dbraw/zinc/19/72/20/495197220.db2.gz QXKCRLJUSKGPFC-LJQANCHMSA-N 1 2 364.489 3.495 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1OC ZINC000123949811 495211239 /nfs/dbraw/zinc/21/12/39/495211239.db2.gz HPWIEMGRDWHNQA-UHFFFAOYSA-N 1 2 373.522 3.343 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000135243877 495267386 /nfs/dbraw/zinc/26/73/86/495267386.db2.gz WYVXRGIUXCHVRW-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124807170 495346492 /nfs/dbraw/zinc/34/64/92/495346492.db2.gz HBNOBMGYEOITBY-FQEVSTJZSA-N 1 2 350.418 3.275 20 30 FGEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000124807170 495346494 /nfs/dbraw/zinc/34/64/94/495346494.db2.gz HBNOBMGYEOITBY-FQEVSTJZSA-N 1 2 350.418 3.275 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000136170188 495360533 /nfs/dbraw/zinc/36/05/33/495360533.db2.gz QCXNXQSPLKNUPO-UHFFFAOYSA-N 1 2 352.438 3.121 20 30 FGEDLO N#CCSCCC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136694262 495395283 /nfs/dbraw/zinc/39/52/83/495395283.db2.gz AKKFGBBEMSKEGF-ZDUSSCGKSA-N 1 2 355.389 3.149 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000131004085 495477820 /nfs/dbraw/zinc/47/78/20/495477820.db2.gz SIBXYIOWLZJCOT-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107443408 495527580 /nfs/dbraw/zinc/52/75/80/495527580.db2.gz MCWNZNUQYVXIJN-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000176210865 495548588 /nfs/dbraw/zinc/54/85/88/495548588.db2.gz QEUNCINTOSOVKG-MRXNPFEDSA-N 1 2 367.474 3.287 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000176210865 495548592 /nfs/dbraw/zinc/54/85/92/495548592.db2.gz QEUNCINTOSOVKG-MRXNPFEDSA-N 1 2 367.474 3.287 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000176211435 495548705 /nfs/dbraw/zinc/54/87/05/495548705.db2.gz XWLVXKDLMAMOQR-IBGZPJMESA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000176211435 495548708 /nfs/dbraw/zinc/54/87/08/495548708.db2.gz XWLVXKDLMAMOQR-IBGZPJMESA-N 1 2 372.465 3.178 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCCOC)C1 ZINC000179355231 495556994 /nfs/dbraw/zinc/55/69/94/495556994.db2.gz KTDVKUDQHSAINT-INIZCTEOSA-N 1 2 364.511 3.031 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000179355231 495556998 /nfs/dbraw/zinc/55/69/98/495556998.db2.gz KTDVKUDQHSAINT-INIZCTEOSA-N 1 2 364.511 3.031 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000173609740 495612626 /nfs/dbraw/zinc/61/26/26/495612626.db2.gz XTCLOFGLTYQZJA-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](O)C2)cc1OCC ZINC000179521907 495627806 /nfs/dbraw/zinc/62/78/06/495627806.db2.gz UIUVWFJDJFCBLA-CQSZACIVSA-N 1 2 370.287 3.369 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](O)C2)cc1OCC ZINC000179521907 495627811 /nfs/dbraw/zinc/62/78/11/495627811.db2.gz UIUVWFJDJFCBLA-CQSZACIVSA-N 1 2 370.287 3.369 20 30 FGEDLO CC(C)c1ccc2ncc(C#N)c(N3CCN(Cc4[nH+]ccn4C)CC3)c2c1 ZINC000577815001 505796069 /nfs/dbraw/zinc/79/60/69/505796069.db2.gz LWBTWZTUPMJDMD-UHFFFAOYSA-N 1 2 374.492 3.286 20 30 FGEDLO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000150885837 495668814 /nfs/dbraw/zinc/66/88/14/495668814.db2.gz GYKAOSACABRLTN-HNNXBMFYSA-N 1 2 352.500 3.095 20 30 FGEDLO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000150885837 495668812 /nfs/dbraw/zinc/66/88/12/495668812.db2.gz GYKAOSACABRLTN-HNNXBMFYSA-N 1 2 352.500 3.095 20 30 FGEDLO N#C[C@@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CCCC2 ZINC000577817669 505796731 /nfs/dbraw/zinc/79/67/31/505796731.db2.gz SASKRZSBKODDJB-IIBYNOLFSA-N 1 2 352.482 3.399 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)o2)cc1 ZINC000159631836 495774907 /nfs/dbraw/zinc/77/49/07/495774907.db2.gz WSLXMLCUUSYTHB-JOCHJYFZSA-N 1 2 372.428 3.282 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)o2)cc1 ZINC000159631836 495774914 /nfs/dbraw/zinc/77/49/14/495774914.db2.gz WSLXMLCUUSYTHB-JOCHJYFZSA-N 1 2 372.428 3.282 20 30 FGEDLO N#CC1(c2ccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC000179931065 495789053 /nfs/dbraw/zinc/78/90/53/495789053.db2.gz OFNGEWGWJFCNHR-UHFFFAOYSA-N 1 2 361.445 3.326 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000174063203 495807320 /nfs/dbraw/zinc/80/73/20/495807320.db2.gz QOBUQDATJMNSFY-KBPBESRZSA-N 1 2 358.467 3.138 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000171586253 495936546 /nfs/dbraw/zinc/93/65/46/495936546.db2.gz VVZLXWFLOZGIPR-QGZVFWFLSA-N 1 2 355.482 3.374 20 30 FGEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000155502567 495976527 /nfs/dbraw/zinc/97/65/27/495976527.db2.gz WYTHUQWHIWCKTL-UHFFFAOYSA-N 1 2 354.454 3.244 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccc(F)cc2)c(C#N)c1C ZINC000177237778 495988485 /nfs/dbraw/zinc/98/84/85/495988485.db2.gz IMLIRXHBHVSWGF-UHFFFAOYSA-N 1 2 361.442 3.325 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccc(F)cc2)c(C#N)c1C ZINC000177237778 495988491 /nfs/dbraw/zinc/98/84/91/495988491.db2.gz IMLIRXHBHVSWGF-UHFFFAOYSA-N 1 2 361.442 3.325 20 30 FGEDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OCC#N)cc1 ZINC000186436511 495997859 /nfs/dbraw/zinc/99/78/59/495997859.db2.gz CMZWXCNTTXQKDH-HNNXBMFYSA-N 1 2 363.421 3.137 20 30 FGEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000180517357 496028460 /nfs/dbraw/zinc/02/84/60/496028460.db2.gz YGYCPWLPURZDJZ-CQSZACIVSA-N 1 2 365.380 3.274 20 30 FGEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000180517357 496028463 /nfs/dbraw/zinc/02/84/63/496028463.db2.gz YGYCPWLPURZDJZ-CQSZACIVSA-N 1 2 365.380 3.274 20 30 FGEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160750604 496034929 /nfs/dbraw/zinc/03/49/29/496034929.db2.gz RTEANUVNRGUGRA-NRFANRHFSA-N 1 2 373.460 3.184 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Cl)c1 ZINC000186597352 496065058 /nfs/dbraw/zinc/06/50/58/496065058.db2.gz KQBZMJJDMYTVOZ-UHFFFAOYSA-N 1 2 358.810 3.403 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000174830020 496124605 /nfs/dbraw/zinc/12/46/05/496124605.db2.gz LXPXJRQOMRTQMT-UHFFFAOYSA-N 1 2 374.488 3.273 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721565 496172127 /nfs/dbraw/zinc/17/21/27/496172127.db2.gz OYRFMGPWOSAARO-INIZCTEOSA-N 1 2 351.450 3.313 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721565 496172135 /nfs/dbraw/zinc/17/21/35/496172135.db2.gz OYRFMGPWOSAARO-INIZCTEOSA-N 1 2 351.450 3.313 20 30 FGEDLO Cc1cc(Br)cc2c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)coc21 ZINC000582789313 506421702 /nfs/dbraw/zinc/42/17/02/506421702.db2.gz VPYGLPIGCLTZTJ-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)cc(OC)c1 ZINC000175444645 496395105 /nfs/dbraw/zinc/39/51/05/496395105.db2.gz SAQFQVMQTBDVSH-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C#N ZINC000580810700 505842572 /nfs/dbraw/zinc/84/25/72/505842572.db2.gz PWAMMPVWJYIUFI-UHFFFAOYSA-N 1 2 353.378 3.278 20 30 FGEDLO N#CCC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccn1 ZINC000178385509 496435658 /nfs/dbraw/zinc/43/56/58/496435658.db2.gz VDGLQTBJBLGEMJ-OAQYLSRUSA-N 1 2 362.477 3.381 20 30 FGEDLO N#CCC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccn1 ZINC000178385509 496435663 /nfs/dbraw/zinc/43/56/63/496435663.db2.gz VDGLQTBJBLGEMJ-OAQYLSRUSA-N 1 2 362.477 3.381 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000163255142 496488762 /nfs/dbraw/zinc/48/87/62/496488762.db2.gz PFYGBEHWGOJGTK-UHFFFAOYSA-N 1 2 368.824 3.333 20 30 FGEDLO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000153587270 496507411 /nfs/dbraw/zinc/50/74/11/496507411.db2.gz KVTRHZZYJGJZCG-KRWDZBQOSA-N 1 2 374.444 3.400 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cnn1-c1cccc(C#N)c1 ZINC000580836041 505848906 /nfs/dbraw/zinc/84/89/06/505848906.db2.gz UJFFYJYZFJMYPX-INIZCTEOSA-N 1 2 374.448 3.094 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000157643628 496522358 /nfs/dbraw/zinc/52/23/58/496522358.db2.gz ZMXXSDDWMOHEGM-UHFFFAOYSA-N 1 2 353.426 3.411 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000163799900 496559644 /nfs/dbraw/zinc/55/96/44/496559644.db2.gz JFFKEEIVEDGZQQ-UHFFFAOYSA-N 1 2 352.438 3.119 20 30 FGEDLO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157816935 496562214 /nfs/dbraw/zinc/56/22/14/496562214.db2.gz PUGYJOXNGYDUHX-HNNXBMFYSA-N 1 2 353.422 3.205 20 30 FGEDLO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157816935 496562221 /nfs/dbraw/zinc/56/22/21/496562221.db2.gz PUGYJOXNGYDUHX-HNNXBMFYSA-N 1 2 353.422 3.205 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185086994 496654561 /nfs/dbraw/zinc/65/45/61/496654561.db2.gz NMEIZIHHLBTDOC-KDOFPFPSSA-N 1 2 357.454 3.245 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000188036202 496658550 /nfs/dbraw/zinc/65/85/50/496658550.db2.gz YSAHQTHPQJTCCW-KRWDZBQOSA-N 1 2 364.449 3.004 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000185194339 496699003 /nfs/dbraw/zinc/69/90/03/496699003.db2.gz YNQYPRBQGQMPSA-GJZGRUSLSA-N 1 2 369.469 3.353 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000179220349 496715393 /nfs/dbraw/zinc/71/53/93/496715393.db2.gz PGABSCGJQSZRQL-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000179220349 496715398 /nfs/dbraw/zinc/71/53/98/496715398.db2.gz PGABSCGJQSZRQL-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000569159059 505866024 /nfs/dbraw/zinc/86/60/24/505866024.db2.gz ILFXVTMUAROZDC-AWEZNQCLSA-N 1 2 362.393 3.152 20 30 FGEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)s1 ZINC000277342338 496741946 /nfs/dbraw/zinc/74/19/46/496741946.db2.gz HHAKCNBMDIISKB-UHFFFAOYSA-N 1 2 358.467 3.351 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@](=O)C1 ZINC000277414961 496765712 /nfs/dbraw/zinc/76/57/12/496765712.db2.gz IPKDWIKBARPUHF-WGDIFIGCSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@](=O)C1 ZINC000277414961 496765719 /nfs/dbraw/zinc/76/57/19/496765719.db2.gz IPKDWIKBARPUHF-WGDIFIGCSA-N 1 2 368.502 3.338 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000273593683 496849105 /nfs/dbraw/zinc/84/91/05/496849105.db2.gz JQOZNKDZJTVGIK-CQSZACIVSA-N 1 2 357.483 3.061 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2ccccc2OCC#N)c1)[NH+]1CCOCC1 ZINC000264298835 496865826 /nfs/dbraw/zinc/86/58/26/496865826.db2.gz XDRVWKDFUFDFAL-MRXNPFEDSA-N 1 2 365.433 3.234 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450327 497015079 /nfs/dbraw/zinc/01/50/79/497015079.db2.gz IPIHVCMFSREJMF-KBXCAEBGSA-N 1 2 353.397 3.178 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450327 497015081 /nfs/dbraw/zinc/01/50/81/497015081.db2.gz IPIHVCMFSREJMF-KBXCAEBGSA-N 1 2 353.397 3.178 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248607629 497055099 /nfs/dbraw/zinc/05/50/99/497055099.db2.gz PJOGZYVOJYPRFA-ICSRJNTNSA-N 1 2 369.509 3.051 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248607629 497055104 /nfs/dbraw/zinc/05/51/04/497055104.db2.gz PJOGZYVOJYPRFA-ICSRJNTNSA-N 1 2 369.509 3.051 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278279994 497060642 /nfs/dbraw/zinc/06/06/42/497060642.db2.gz FXRVDRBQHRAPHS-UYAOXDASSA-N 1 2 357.498 3.128 20 30 FGEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC000265575824 497142274 /nfs/dbraw/zinc/14/22/74/497142274.db2.gz MHQNTUFTEMYJQF-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)C(F)(F)F ZINC000189513829 497145484 /nfs/dbraw/zinc/14/54/84/497145484.db2.gz XFIGEGKBNAXKBN-CYBMUJFWSA-N 1 2 355.278 3.182 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)C(F)(F)F ZINC000189513829 497145482 /nfs/dbraw/zinc/14/54/82/497145482.db2.gz XFIGEGKBNAXKBN-CYBMUJFWSA-N 1 2 355.278 3.182 20 30 FGEDLO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000278942721 497275855 /nfs/dbraw/zinc/27/58/55/497275855.db2.gz UPUORPCLBSRICM-CQSZACIVSA-N 1 2 369.469 3.191 20 30 FGEDLO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000278942718 497276087 /nfs/dbraw/zinc/27/60/87/497276087.db2.gz UPUORPCLBSRICM-AWEZNQCLSA-N 1 2 369.469 3.191 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000574977218 505895987 /nfs/dbraw/zinc/89/59/87/505895987.db2.gz AQSUFAIOSPPFSX-UYAOXDASSA-N 1 2 373.378 3.080 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000574977218 505895990 /nfs/dbraw/zinc/89/59/90/505895990.db2.gz AQSUFAIOSPPFSX-UYAOXDASSA-N 1 2 373.378 3.080 20 30 FGEDLO Cc1nn2c(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)c(C)nc2s1 ZINC000271185607 497283911 /nfs/dbraw/zinc/28/39/11/497283911.db2.gz ZYXQVQWDPREKHB-UHFFFAOYSA-N 1 2 367.478 3.323 20 30 FGEDLO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000279080558 497326914 /nfs/dbraw/zinc/32/69/14/497326914.db2.gz HDIAHYDSPAXHBZ-MRXNPFEDSA-N 1 2 368.506 3.203 20 30 FGEDLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000275467210 497335603 /nfs/dbraw/zinc/33/56/03/497335603.db2.gz ZPBYFNWZVKGFHT-IBGZPJMESA-N 1 2 354.498 3.427 20 30 FGEDLO CC[C@@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266643859 497389045 /nfs/dbraw/zinc/38/90/45/497389045.db2.gz VJKZZBYXAOZKAA-QRWLVFNGSA-N 1 2 352.438 3.024 20 30 FGEDLO CC[C@@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266643859 497389049 /nfs/dbraw/zinc/38/90/49/497389049.db2.gz VJKZZBYXAOZKAA-QRWLVFNGSA-N 1 2 352.438 3.024 20 30 FGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000266729080 497407105 /nfs/dbraw/zinc/40/71/05/497407105.db2.gz LKCYQWXAOBXTDV-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000271811379 497457925 /nfs/dbraw/zinc/45/79/25/497457925.db2.gz KZEFMFOWPNIGIA-INIZCTEOSA-N 1 2 368.481 3.137 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000271811379 497457931 /nfs/dbraw/zinc/45/79/31/497457931.db2.gz KZEFMFOWPNIGIA-INIZCTEOSA-N 1 2 368.481 3.137 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000267065368 497478865 /nfs/dbraw/zinc/47/88/65/497478865.db2.gz RJONAROZGGQPPS-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1O ZINC000190502740 497507614 /nfs/dbraw/zinc/50/76/14/497507614.db2.gz NLBKGFYKGIFJGE-GOSISDBHSA-N 1 2 369.852 3.484 20 30 FGEDLO COCCN(C)c1ccc(CNc2cccc(OCCCC#N)c2)c[nH+]1 ZINC000190829281 497616058 /nfs/dbraw/zinc/61/60/58/497616058.db2.gz WJMHDGAJXWLVIG-UHFFFAOYSA-N 1 2 354.454 3.459 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622281 497681988 /nfs/dbraw/zinc/68/19/88/497681988.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622281 497681990 /nfs/dbraw/zinc/68/19/90/497681990.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000272622281 497681991 /nfs/dbraw/zinc/68/19/91/497681991.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000272622281 497681993 /nfs/dbraw/zinc/68/19/93/497681993.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n[nH]1 ZINC000272622281 497681994 /nfs/dbraw/zinc/68/19/94/497681994.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n[nH]1 ZINC000272622281 497681995 /nfs/dbraw/zinc/68/19/95/497681995.db2.gz YNKOBEOZKBAUQO-CQSZACIVSA-N 1 2 360.259 3.127 20 30 FGEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272680309 497699288 /nfs/dbraw/zinc/69/92/88/497699288.db2.gz RUMFGLUUDLUNEZ-LJQANCHMSA-N 1 2 360.417 3.106 20 30 FGEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272680309 497699293 /nfs/dbraw/zinc/69/92/93/497699293.db2.gz RUMFGLUUDLUNEZ-LJQANCHMSA-N 1 2 360.417 3.106 20 30 FGEDLO C=CCc1cc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc(OC)c1OC ZINC000272689896 497703321 /nfs/dbraw/zinc/70/33/21/497703321.db2.gz UFOOLSHQIXTXCC-KRWDZBQOSA-N 1 2 373.453 3.264 20 30 FGEDLO C=CCc1cc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc(OC)c1OC ZINC000272689896 497703323 /nfs/dbraw/zinc/70/33/23/497703323.db2.gz UFOOLSHQIXTXCC-KRWDZBQOSA-N 1 2 373.453 3.264 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000191124003 497716802 /nfs/dbraw/zinc/71/68/02/497716802.db2.gz VPDXEUAEDDICRS-INIZCTEOSA-N 1 2 373.478 3.153 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000191124003 497716808 /nfs/dbraw/zinc/71/68/08/497716808.db2.gz VPDXEUAEDDICRS-INIZCTEOSA-N 1 2 373.478 3.153 20 30 FGEDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191263217 497760556 /nfs/dbraw/zinc/76/05/56/497760556.db2.gz JGHSVZUXZMPWNG-CHWSQXEVSA-N 1 2 361.511 3.061 20 30 FGEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000268488947 497763166 /nfs/dbraw/zinc/76/31/66/497763166.db2.gz NAOOGZVKDQFOGH-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246935748 497821148 /nfs/dbraw/zinc/82/11/48/497821148.db2.gz AJBGIEMNZAOJJW-VQIMIIECSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246935748 497821149 /nfs/dbraw/zinc/82/11/49/497821149.db2.gz AJBGIEMNZAOJJW-VQIMIIECSA-N 1 2 352.434 3.408 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(=Cc2ccccc2F)CC1 ZINC000329596013 497840969 /nfs/dbraw/zinc/84/09/69/497840969.db2.gz IMDCSJHMQNPLOB-MRXNPFEDSA-N 1 2 354.429 3.500 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(=Cc2ccccc2F)CC1 ZINC000329596013 497840976 /nfs/dbraw/zinc/84/09/76/497840976.db2.gz IMDCSJHMQNPLOB-MRXNPFEDSA-N 1 2 354.429 3.500 20 30 FGEDLO O=C(C[N@@H+]1CCC2(C1)Oc1ccccc1O2)NC(=O)NC1CCCCC1 ZINC000329627377 497851795 /nfs/dbraw/zinc/85/17/95/497851795.db2.gz GZXXRLXLPBCIMM-UHFFFAOYSA-N 1 2 359.426 3.063 20 30 FGEDLO O=C(C[N@H+]1CCC2(C1)Oc1ccccc1O2)NC(=O)NC1CCCCC1 ZINC000329627377 497851799 /nfs/dbraw/zinc/85/17/99/497851799.db2.gz GZXXRLXLPBCIMM-UHFFFAOYSA-N 1 2 359.426 3.063 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC(=O)N1 ZINC000329640200 497853499 /nfs/dbraw/zinc/85/34/99/497853499.db2.gz ZHJIGZUSSYCRAY-ZNMIVQPWSA-N 1 2 365.499 3.223 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)CC3)n2)C1 ZINC000329894470 497942162 /nfs/dbraw/zinc/94/21/62/497942162.db2.gz BHBYOTFIKLMPFL-KDOFPFPSSA-N 1 2 366.531 3.157 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@](C)(O)CC3)n2)C1 ZINC000329894470 497942167 /nfs/dbraw/zinc/94/21/67/497942167.db2.gz BHBYOTFIKLMPFL-KDOFPFPSSA-N 1 2 366.531 3.157 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CC=CCC1 ZINC000329935202 497959625 /nfs/dbraw/zinc/95/96/25/497959625.db2.gz KGMDGPJQAZLXKH-IKGGRYGDSA-N 1 2 364.465 3.064 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H]1CC=CCC1 ZINC000329935202 497959633 /nfs/dbraw/zinc/95/96/33/497959633.db2.gz KGMDGPJQAZLXKH-IKGGRYGDSA-N 1 2 364.465 3.064 20 30 FGEDLO Cc1nnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c(C#N)c1C ZINC000301142162 497969936 /nfs/dbraw/zinc/96/99/36/497969936.db2.gz GNUWWLXECVHBQZ-CQSZACIVSA-N 1 2 357.408 3.127 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000285029159 497974222 /nfs/dbraw/zinc/97/42/22/497974222.db2.gz OWUQWSFPDYOZHD-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1csc3nccn13)C2 ZINC000330050496 498003601 /nfs/dbraw/zinc/00/36/01/498003601.db2.gz LVFXHIIUNBNFBF-GFCCVEGCSA-N 1 2 357.483 3.404 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@]2(CCOC2)O1 ZINC000330085346 498015790 /nfs/dbraw/zinc/01/57/90/498015790.db2.gz CVFSLWJEQFRIRZ-HMXCVIKNSA-N 1 2 358.482 3.364 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@]2(CCOC2)O1 ZINC000330085346 498015796 /nfs/dbraw/zinc/01/57/96/498015796.db2.gz CVFSLWJEQFRIRZ-HMXCVIKNSA-N 1 2 358.482 3.364 20 30 FGEDLO N#Cc1cc(F)cc(C2(c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)CC2)c1 ZINC000578556332 505967585 /nfs/dbraw/zinc/96/75/85/505967585.db2.gz UOGDWFHDKZDZOO-IAGOWNOFSA-N 1 2 368.412 3.086 20 30 FGEDLO N#Cc1cc(F)cc(C2(c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)CC2)c1 ZINC000578556332 505967591 /nfs/dbraw/zinc/96/75/91/505967591.db2.gz UOGDWFHDKZDZOO-IAGOWNOFSA-N 1 2 368.412 3.086 20 30 FGEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330183362 498053426 /nfs/dbraw/zinc/05/34/26/498053426.db2.gz PWTKPOUSTXOULT-KBPBESRZSA-N 1 2 350.532 3.094 20 30 FGEDLO N#CC[C@@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1 ZINC000350323530 498075695 /nfs/dbraw/zinc/07/56/95/498075695.db2.gz RNRQPPDECZPWEL-RCCFBDPRSA-N 1 2 352.438 3.235 20 30 FGEDLO N#CC[C@@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1 ZINC000350323530 498075700 /nfs/dbraw/zinc/07/57/00/498075700.db2.gz RNRQPPDECZPWEL-RCCFBDPRSA-N 1 2 352.438 3.235 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330331503 498107994 /nfs/dbraw/zinc/10/79/94/498107994.db2.gz OCHHNXRUWZVMTF-QZTJIDSGSA-N 1 2 353.470 3.080 20 30 FGEDLO Cc1c(C#N)c(NCc2ccc(N3CCOCC3)[nH+]c2)nc2ccccc12 ZINC000296602249 498115822 /nfs/dbraw/zinc/11/58/22/498115822.db2.gz SVWDLWWOILVECN-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289439714 498147684 /nfs/dbraw/zinc/14/76/84/498147684.db2.gz JZZDOXVCFINSCY-NSHDSACASA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289439714 498147689 /nfs/dbraw/zinc/14/76/89/498147689.db2.gz JZZDOXVCFINSCY-NSHDSACASA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000289448922 498152145 /nfs/dbraw/zinc/15/21/45/498152145.db2.gz FJMHUWWWAXOSCR-AEFFLSMTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000289448922 498152151 /nfs/dbraw/zinc/15/21/51/498152151.db2.gz FJMHUWWWAXOSCR-AEFFLSMTSA-N 1 2 350.422 3.142 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289542990 498186738 /nfs/dbraw/zinc/18/67/38/498186738.db2.gz MOAUBDZNJFLMGF-DOTOQJQBSA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289542990 498186745 /nfs/dbraw/zinc/18/67/45/498186745.db2.gz MOAUBDZNJFLMGF-DOTOQJQBSA-N 1 2 359.495 3.209 20 30 FGEDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1OCCCC#N ZINC000289681483 498246726 /nfs/dbraw/zinc/24/67/26/498246726.db2.gz NXLWKQPIAACXGN-OAHLLOKOSA-N 1 2 354.397 3.234 20 30 FGEDLO COc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1OCCCC#N ZINC000289681483 498246732 /nfs/dbraw/zinc/24/67/32/498246732.db2.gz NXLWKQPIAACXGN-OAHLLOKOSA-N 1 2 354.397 3.234 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000364997230 498248100 /nfs/dbraw/zinc/24/81/00/498248100.db2.gz IWQWFGZMBAFLJE-IBGZPJMESA-N 1 2 369.490 3.126 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000364997230 498248107 /nfs/dbraw/zinc/24/81/07/498248107.db2.gz IWQWFGZMBAFLJE-IBGZPJMESA-N 1 2 369.490 3.126 20 30 FGEDLO C=C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000289690805 498250083 /nfs/dbraw/zinc/25/00/83/498250083.db2.gz IDHRHJCEQUGZRY-VXNVDRBHSA-N 1 2 365.065 3.115 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000297026674 498292524 /nfs/dbraw/zinc/29/25/24/498292524.db2.gz HDDPRRSWRVPPIC-ABSDTBQOSA-N 1 2 359.420 3.300 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000297026674 498292529 /nfs/dbraw/zinc/29/25/29/498292529.db2.gz HDDPRRSWRVPPIC-ABSDTBQOSA-N 1 2 359.420 3.300 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331311008 498297671 /nfs/dbraw/zinc/29/76/71/498297671.db2.gz VCTGLFLDUPDFQS-SECBINFHSA-N 1 2 350.221 3.179 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)nc1 ZINC000301923386 498330094 /nfs/dbraw/zinc/33/00/94/498330094.db2.gz KJTMZXVPMYYZGS-UHFFFAOYSA-N 1 2 364.453 3.367 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(NCC4CC4)nc[nH+]3)CC2)nc1 ZINC000301923386 498330098 /nfs/dbraw/zinc/33/00/98/498330098.db2.gz KJTMZXVPMYYZGS-UHFFFAOYSA-N 1 2 364.453 3.367 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000331470913 498341952 /nfs/dbraw/zinc/34/19/52/498341952.db2.gz OSSHVBJLYVQSCI-MRXNPFEDSA-N 1 2 355.442 3.150 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000361341300 498377503 /nfs/dbraw/zinc/37/75/03/498377503.db2.gz BLZVTDZHKNUMIA-HXUWFJFHSA-N 1 2 362.429 3.294 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144796 498398845 /nfs/dbraw/zinc/39/88/45/498398845.db2.gz ZUZXBSOSIWVIHG-DLBZAZTESA-N 1 2 352.438 3.051 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144796 498398851 /nfs/dbraw/zinc/39/88/51/498398851.db2.gz ZUZXBSOSIWVIHG-DLBZAZTESA-N 1 2 352.438 3.051 20 30 FGEDLO Cc1ccc([C@H](CNc2ncc3c(c2C#N)CCC3)[NH+]2CCOCC2)s1 ZINC000581663271 506040058 /nfs/dbraw/zinc/04/00/58/506040058.db2.gz JTNRIBNKUFZKNZ-SFHVURJKSA-N 1 2 368.506 3.297 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1F ZINC000362812465 498558383 /nfs/dbraw/zinc/55/83/83/498558383.db2.gz CMOYNRSMVYHDAY-KRWDZBQOSA-N 1 2 370.334 3.228 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CC[NH+](CC(F)F)CC1 ZINC000286984547 498579177 /nfs/dbraw/zinc/57/91/77/498579177.db2.gz FYMUZTBJVMSOCD-UHFFFAOYSA-N 1 2 369.415 3.397 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000302828718 498592479 /nfs/dbraw/zinc/59/24/79/498592479.db2.gz JAJDCJBQSZJKRA-UHFFFAOYSA-N 1 2 371.444 3.464 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302828718 498592483 /nfs/dbraw/zinc/59/24/83/498592483.db2.gz JAJDCJBQSZJKRA-UHFFFAOYSA-N 1 2 371.444 3.464 20 30 FGEDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000302831142 498594016 /nfs/dbraw/zinc/59/40/16/498594016.db2.gz APUCALPKSVXOGP-QGZVFWFLSA-N 1 2 351.450 3.462 20 30 FGEDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000302831142 498594023 /nfs/dbraw/zinc/59/40/23/498594023.db2.gz APUCALPKSVXOGP-QGZVFWFLSA-N 1 2 351.450 3.462 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287219364 498677184 /nfs/dbraw/zinc/67/71/84/498677184.db2.gz FJAGESMEKRZHRS-SJLPKXTDSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287219364 498677175 /nfs/dbraw/zinc/67/71/75/498677175.db2.gz FJAGESMEKRZHRS-SJLPKXTDSA-N 1 2 368.437 3.399 20 30 FGEDLO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332534801 498716670 /nfs/dbraw/zinc/71/66/70/498716670.db2.gz HZMYEZLQEFQBLI-RTBURBONSA-N 1 2 372.538 3.060 20 30 FGEDLO Cc1nc(CSc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)cs1 ZINC000576111884 506079607 /nfs/dbraw/zinc/07/96/07/506079607.db2.gz NXTBOMCNBHNLEY-SFHVURJKSA-N 1 2 374.535 3.318 20 30 FGEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000291032734 498764603 /nfs/dbraw/zinc/76/46/03/498764603.db2.gz ZAOOGUDRFWUXIY-CQSZACIVSA-N 1 2 370.478 3.114 20 30 FGEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000291032734 498764608 /nfs/dbraw/zinc/76/46/08/498764608.db2.gz ZAOOGUDRFWUXIY-CQSZACIVSA-N 1 2 370.478 3.114 20 30 FGEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc(C#N)cc4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000294825601 498817476 /nfs/dbraw/zinc/81/74/76/498817476.db2.gz AEJISVBOIILZHN-CQSZACIVSA-N 1 2 362.393 3.430 20 30 FGEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000576184908 506096208 /nfs/dbraw/zinc/09/62/08/506096208.db2.gz CKCFAOHGFNRFIE-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000576184908 506096211 /nfs/dbraw/zinc/09/62/11/506096211.db2.gz CKCFAOHGFNRFIE-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2COC[C@@H]21 ZINC000333127722 498908339 /nfs/dbraw/zinc/90/83/39/498908339.db2.gz WIIRYMAFROGOAM-JKSUJKDBSA-N 1 2 373.522 3.184 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]2COC[C@@H]21 ZINC000333127722 498908344 /nfs/dbraw/zinc/90/83/44/498908344.db2.gz WIIRYMAFROGOAM-JKSUJKDBSA-N 1 2 373.522 3.184 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C)CCOCC3)n2)C1 ZINC000328799976 498943623 /nfs/dbraw/zinc/94/36/23/498943623.db2.gz HVGWLKVCRADOSP-ZDUSSCGKSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C)CCOCC3)n2)C1 ZINC000328799976 498943628 /nfs/dbraw/zinc/94/36/28/498943628.db2.gz HVGWLKVCRADOSP-ZDUSSCGKSA-N 1 2 352.504 3.079 20 30 FGEDLO CC(C)n1nccc1CN1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000328824044 498951508 /nfs/dbraw/zinc/95/15/08/498951508.db2.gz PONMMDMSYIBBSV-MSOLQXFVSA-N 1 2 361.534 3.117 20 30 FGEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000328839792 498956617 /nfs/dbraw/zinc/95/66/17/498956617.db2.gz NVYUZUZJPTWTCI-FQEVSTJZSA-N 1 2 368.481 3.094 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363721285 498960681 /nfs/dbraw/zinc/96/06/81/498960681.db2.gz UADYMKGUAVHBIV-DOTOQJQBSA-N 1 2 365.399 3.439 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363721285 498960687 /nfs/dbraw/zinc/96/06/87/498960687.db2.gz UADYMKGUAVHBIV-DOTOQJQBSA-N 1 2 365.399 3.439 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570220405 506118403 /nfs/dbraw/zinc/11/84/03/506118403.db2.gz CMLWUERYHHMCTQ-SMDDNHRTSA-N 1 2 351.237 3.132 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCO[C@H](C)C3)n2)C1 ZINC000328892749 498976937 /nfs/dbraw/zinc/97/69/37/498976937.db2.gz UMLNKYMJULXVGK-ZIAGYGMSSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCO[C@H](C)C3)n2)C1 ZINC000328892749 498976942 /nfs/dbraw/zinc/97/69/42/498976942.db2.gz UMLNKYMJULXVGK-ZIAGYGMSSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@@H]1CN(c2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000328910669 498981717 /nfs/dbraw/zinc/98/17/17/498981717.db2.gz FTDKWDQJBPQOPL-OAGGEKHMSA-N 1 2 354.454 3.347 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328933792 498989794 /nfs/dbraw/zinc/98/97/94/498989794.db2.gz BYYFTGHIODFKCX-ATZDWAIDSA-N 1 2 360.498 3.434 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000328933792 498989798 /nfs/dbraw/zinc/98/97/98/498989798.db2.gz BYYFTGHIODFKCX-ATZDWAIDSA-N 1 2 360.498 3.434 20 30 FGEDLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328951490 498997546 /nfs/dbraw/zinc/99/75/46/498997546.db2.gz LQRGZWUUOWJABI-ZGWLTJRTSA-N 1 2 363.527 3.190 20 30 FGEDLO COc1cccc(C[N@H+](Cc2nc(C#N)cs2)C2CCC(O)CC2)c1 ZINC000570253452 506124623 /nfs/dbraw/zinc/12/46/23/506124623.db2.gz JDHVTDRNELIIMC-UHFFFAOYSA-N 1 2 357.479 3.329 20 30 FGEDLO COc1cccc(C[N@@H+](Cc2nc(C#N)cs2)C2CCC(O)CC2)c1 ZINC000570253452 506124628 /nfs/dbraw/zinc/12/46/28/506124628.db2.gz JDHVTDRNELIIMC-UHFFFAOYSA-N 1 2 357.479 3.329 20 30 FGEDLO Cc1cc(NC(=O)[C@@H]2CCc3nncn3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000328965430 499001528 /nfs/dbraw/zinc/00/15/28/499001528.db2.gz MIIROXOMKPWRBD-HUUCEWRRSA-N 1 2 354.458 3.211 20 30 FGEDLO Cc1cccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1F ZINC000328971179 499002720 /nfs/dbraw/zinc/00/27/20/499002720.db2.gz BLWIJRAVFBRSNU-DNVCBOLYSA-N 1 2 370.428 3.067 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329073780 499033112 /nfs/dbraw/zinc/03/31/12/499033112.db2.gz OYCFYYTUZZQZAL-QXAKKESOSA-N 1 2 360.502 3.410 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329080452 499035465 /nfs/dbraw/zinc/03/54/65/499035465.db2.gz RJDHAVCJGHLJRU-OAQYLSRUSA-N 1 2 360.498 3.190 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329080452 499035468 /nfs/dbraw/zinc/03/54/68/499035468.db2.gz RJDHAVCJGHLJRU-OAQYLSRUSA-N 1 2 360.498 3.190 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000329104448 499042086 /nfs/dbraw/zinc/04/20/86/499042086.db2.gz DMVUGORJVBXGBL-QZTJIDSGSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000329104448 499042094 /nfs/dbraw/zinc/04/20/94/499042094.db2.gz DMVUGORJVBXGBL-QZTJIDSGSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329104450 499042469 /nfs/dbraw/zinc/04/24/69/499042469.db2.gz DMVUGORJVBXGBL-ZWKOTPCHSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329104450 499042473 /nfs/dbraw/zinc/04/24/73/499042473.db2.gz DMVUGORJVBXGBL-ZWKOTPCHSA-N 1 2 372.494 3.069 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000329202814 499070587 /nfs/dbraw/zinc/07/05/87/499070587.db2.gz CJNOUQIRLSCASQ-UHFFFAOYSA-N 1 2 369.509 3.355 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000329202814 499070591 /nfs/dbraw/zinc/07/05/91/499070591.db2.gz CJNOUQIRLSCASQ-UHFFFAOYSA-N 1 2 369.509 3.355 20 30 FGEDLO COC1CCC(N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329347148 499105189 /nfs/dbraw/zinc/10/51/89/499105189.db2.gz VKSNFOWTPPILOY-QQFBHYJXSA-N 1 2 362.518 3.299 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892625 499108923 /nfs/dbraw/zinc/10/89/23/499108923.db2.gz KLYRTVMNWBGQTK-RBUKOAKNSA-N 1 2 366.465 3.009 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892625 499108929 /nfs/dbraw/zinc/10/89/29/499108929.db2.gz KLYRTVMNWBGQTK-RBUKOAKNSA-N 1 2 366.465 3.009 20 30 FGEDLO Cc1csc(=O)n1CCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329402058 499115381 /nfs/dbraw/zinc/11/53/81/499115381.db2.gz YKHFEFYRFSOACZ-ZDUSSCGKSA-N 1 2 362.499 3.074 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)C2 ZINC000329411983 499117211 /nfs/dbraw/zinc/11/72/11/499117211.db2.gz DHZCRAKTYNHBHS-GOEBONIOSA-N 1 2 370.501 3.360 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056918 499141164 /nfs/dbraw/zinc/14/11/64/499141164.db2.gz CZHMKSJYWKBAMQ-CQSZACIVSA-N 1 2 369.856 3.014 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000372604934 499152945 /nfs/dbraw/zinc/15/29/45/499152945.db2.gz SJCLKZDVWSDRDY-RTWAWAEBSA-N 1 2 350.466 3.157 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000372604934 499152947 /nfs/dbraw/zinc/15/29/47/499152947.db2.gz SJCLKZDVWSDRDY-RTWAWAEBSA-N 1 2 350.466 3.157 20 30 FGEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(F)cc2)no1 ZINC000370114556 499182454 /nfs/dbraw/zinc/18/24/54/499182454.db2.gz YRCMXPQUMCMJCN-LBPRGKRZSA-N 1 2 362.368 3.246 20 30 FGEDLO C#C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367817403 499235616 /nfs/dbraw/zinc/23/56/16/499235616.db2.gz YBVNTUWATDPZGC-BLLLJJGKSA-N 1 2 360.820 3.086 20 30 FGEDLO COc1ccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2[nH+]ccn2C)cc1 ZINC000370675019 499243177 /nfs/dbraw/zinc/24/31/77/499243177.db2.gz AOGSMIOTNKFULZ-KRWDZBQOSA-N 1 2 369.469 3.147 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)C3CC[NH+](CC(F)F)CC3)CC2)cc1 ZINC000367917283 499245430 /nfs/dbraw/zinc/24/54/30/499245430.db2.gz RRNMGXAXGSHXGP-UHFFFAOYSA-N 1 2 359.420 3.151 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370961814 499275145 /nfs/dbraw/zinc/27/51/45/499275145.db2.gz XJMDIDPSWFXIKY-KRWDZBQOSA-N 1 2 354.454 3.133 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000368572291 499309088 /nfs/dbraw/zinc/30/90/88/499309088.db2.gz AZFLJBOSKUTIPC-LBPRGKRZSA-N 1 2 374.242 3.076 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C#N)c1C ZINC000368591292 499310975 /nfs/dbraw/zinc/31/09/75/499310975.db2.gz GSLFVJPJDAVUNS-JVPBZIDWSA-N 1 2 366.465 3.130 20 30 FGEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000368607138 499313121 /nfs/dbraw/zinc/31/31/21/499313121.db2.gz YBQXSQTVLJYJQQ-MAUKXSAKSA-N 1 2 367.428 3.001 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812048 499335530 /nfs/dbraw/zinc/33/55/30/499335530.db2.gz FSKFZZXDUILQSP-KGLIPLIRSA-N 1 2 358.417 3.115 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000371628816 499348479 /nfs/dbraw/zinc/34/84/79/499348479.db2.gz MBIMBLCDNNRBNZ-UHFFFAOYSA-N 1 2 371.525 3.456 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000371628816 499348480 /nfs/dbraw/zinc/34/84/80/499348480.db2.gz MBIMBLCDNNRBNZ-UHFFFAOYSA-N 1 2 371.525 3.456 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000369215068 499378236 /nfs/dbraw/zinc/37/82/36/499378236.db2.gz NJXVWMJHBUODOL-UHFFFAOYSA-N 1 2 354.841 3.231 20 30 FGEDLO N#C[C@@]1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CCc2ccccc2C1 ZINC000371998722 499388101 /nfs/dbraw/zinc/38/81/01/499388101.db2.gz LXKQYHKAVRGOSE-OAQYLSRUSA-N 1 2 368.400 3.268 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000372149984 499403753 /nfs/dbraw/zinc/40/37/53/499403753.db2.gz QUTCPMFKRRJVFZ-HNNXBMFYSA-N 1 2 373.416 3.452 20 30 FGEDLO COc1cc(Cl)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1Cl ZINC000373466934 499471638 /nfs/dbraw/zinc/47/16/38/499471638.db2.gz PMFJWEFEMWILSX-UHFFFAOYSA-N 1 2 366.252 3.302 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(-c3ccccn3)c2)n1 ZINC000378337598 499503364 /nfs/dbraw/zinc/50/33/64/499503364.db2.gz QUEMQADMYRBJSU-UHFFFAOYSA-N 1 2 360.461 3.227 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(-c3ccccn3)c2)n1 ZINC000378337598 499503365 /nfs/dbraw/zinc/50/33/65/499503365.db2.gz QUEMQADMYRBJSU-UHFFFAOYSA-N 1 2 360.461 3.227 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(F)cc(C#N)cc3F)CC2)no1 ZINC000375655541 499541768 /nfs/dbraw/zinc/54/17/68/499541768.db2.gz CSRXXZBNXUIRRG-AWEZNQCLSA-N 1 2 361.396 3.019 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(F)cc(C#N)cc3F)CC2)no1 ZINC000375655541 499541769 /nfs/dbraw/zinc/54/17/69/499541769.db2.gz CSRXXZBNXUIRRG-AWEZNQCLSA-N 1 2 361.396 3.019 20 30 FGEDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000375742539 499550690 /nfs/dbraw/zinc/55/06/90/499550690.db2.gz IKNKFJRGPSDROC-ZDUSSCGKSA-N 1 2 374.416 3.221 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000375907178 499567648 /nfs/dbraw/zinc/56/76/48/499567648.db2.gz XDYVCZRDPINEEB-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000375907178 499567650 /nfs/dbraw/zinc/56/76/50/499567650.db2.gz XDYVCZRDPINEEB-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000376514053 499614052 /nfs/dbraw/zinc/61/40/52/499614052.db2.gz XPWYWMSCHRQAJR-CQSZACIVSA-N 1 2 357.255 3.490 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000376514053 499614053 /nfs/dbraw/zinc/61/40/53/499614053.db2.gz XPWYWMSCHRQAJR-CQSZACIVSA-N 1 2 357.255 3.490 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](Cc2cc(Br)ccc2F)C2CC2)C1=O ZINC000410334707 499655546 /nfs/dbraw/zinc/65/55/46/499655546.db2.gz HNZDRIPLCUOVKV-INIZCTEOSA-N 1 2 367.262 3.340 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](Cc2cc(Br)ccc2F)C2CC2)C1=O ZINC000410334707 499655547 /nfs/dbraw/zinc/65/55/47/499655547.db2.gz HNZDRIPLCUOVKV-INIZCTEOSA-N 1 2 367.262 3.340 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCc1ccccc1 ZINC000411188217 499708725 /nfs/dbraw/zinc/70/87/25/499708725.db2.gz CMTRXSBVTNUYJA-INIZCTEOSA-N 1 2 353.422 3.288 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCc1ccccc1 ZINC000411188217 499708727 /nfs/dbraw/zinc/70/87/27/499708727.db2.gz CMTRXSBVTNUYJA-INIZCTEOSA-N 1 2 353.422 3.288 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622262 499711792 /nfs/dbraw/zinc/71/17/92/499711792.db2.gz YBHSWCHXHIATCD-IAGOWNOFSA-N 1 2 355.463 3.460 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000377622262 499711794 /nfs/dbraw/zinc/71/17/94/499711794.db2.gz YBHSWCHXHIATCD-IAGOWNOFSA-N 1 2 355.463 3.460 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Cc3ccccn3)CC2)C1=O ZINC000378062322 499756675 /nfs/dbraw/zinc/75/66/75/499756675.db2.gz ZZTWVJFQNOSNLA-SFHVURJKSA-N 1 2 366.490 3.075 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929122 499960228 /nfs/dbraw/zinc/96/02/28/499960228.db2.gz LSXJPWUXGQDHAY-DOTOQJQBSA-N 1 2 373.415 3.197 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929122 499960230 /nfs/dbraw/zinc/96/02/30/499960230.db2.gz LSXJPWUXGQDHAY-DOTOQJQBSA-N 1 2 373.415 3.197 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932035 499961210 /nfs/dbraw/zinc/96/12/10/499961210.db2.gz PLPPMZJSCKBQRY-WWGRRREGSA-N 1 2 356.388 3.158 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932035 499961214 /nfs/dbraw/zinc/96/12/14/499961214.db2.gz PLPPMZJSCKBQRY-WWGRRREGSA-N 1 2 356.388 3.158 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000429139384 500011393 /nfs/dbraw/zinc/01/13/93/500011393.db2.gz XPHCOURTLXWTGB-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000429139384 500011394 /nfs/dbraw/zinc/01/13/94/500011394.db2.gz XPHCOURTLXWTGB-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000425210422 500045084 /nfs/dbraw/zinc/04/50/84/500045084.db2.gz UMKMBWSRUACXAY-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO Cc1cc(N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425216767 500045913 /nfs/dbraw/zinc/04/59/13/500045913.db2.gz RYFFROQCYYSAPL-HNNXBMFYSA-N 1 2 365.355 3.157 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000413830420 500069107 /nfs/dbraw/zinc/06/91/07/500069107.db2.gz XQDPSUGAZIFFPG-IBGZPJMESA-N 1 2 350.466 3.101 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425534612 500136100 /nfs/dbraw/zinc/13/61/00/500136100.db2.gz MHFKKTVKCGRYCJ-CQSZACIVSA-N 1 2 353.422 3.166 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425534612 500136106 /nfs/dbraw/zinc/13/61/06/500136106.db2.gz MHFKKTVKCGRYCJ-CQSZACIVSA-N 1 2 353.422 3.166 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000414116007 500157047 /nfs/dbraw/zinc/15/70/47/500157047.db2.gz VUNGCDQAGOURTK-GOSISDBHSA-N 1 2 372.852 3.156 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000414116007 500157051 /nfs/dbraw/zinc/15/70/51/500157051.db2.gz VUNGCDQAGOURTK-GOSISDBHSA-N 1 2 372.852 3.156 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000425655642 500171962 /nfs/dbraw/zinc/17/19/62/500171962.db2.gz YVAKIPIRERDCEC-UIBIWLFHSA-N 1 2 356.470 3.110 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000425655642 500171966 /nfs/dbraw/zinc/17/19/66/500171966.db2.gz YVAKIPIRERDCEC-UIBIWLFHSA-N 1 2 356.470 3.110 20 30 FGEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000426163198 500242855 /nfs/dbraw/zinc/24/28/55/500242855.db2.gz RYIIOBCKDGCRMX-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000419406265 500362399 /nfs/dbraw/zinc/36/23/99/500362399.db2.gz IXXYZBHENRNWEE-HNNXBMFYSA-N 1 2 357.845 3.156 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3ncc(C#N)cc3Cl)c[nH+]2)CC1 ZINC000427903488 500443966 /nfs/dbraw/zinc/44/39/66/500443966.db2.gz IUNFCNFUMAZLNS-UHFFFAOYSA-N 1 2 369.856 3.168 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000428248155 500486714 /nfs/dbraw/zinc/48/67/14/500486714.db2.gz BIHYNIGQYSFWLA-GOSISDBHSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000428248155 500486716 /nfs/dbraw/zinc/48/67/16/500486716.db2.gz BIHYNIGQYSFWLA-GOSISDBHSA-N 1 2 351.425 3.482 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)oc1C ZINC000432923329 500591438 /nfs/dbraw/zinc/59/14/38/500591438.db2.gz FJEMBPNZWDZFTD-CYBMUJFWSA-N 1 2 371.412 3.269 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000437153648 500607973 /nfs/dbraw/zinc/60/79/73/500607973.db2.gz HCUUBQKVESFHND-KRWDZBQOSA-N 1 2 371.387 3.397 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000437153648 500607974 /nfs/dbraw/zinc/60/79/74/500607974.db2.gz HCUUBQKVESFHND-KRWDZBQOSA-N 1 2 371.387 3.397 20 30 FGEDLO CC[C@]1(C)C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 ZINC000442875978 500637983 /nfs/dbraw/zinc/63/79/83/500637983.db2.gz QBWZMVMCJKHRSQ-LJQANCHMSA-N 1 2 363.889 3.396 20 30 FGEDLO CC[C@]1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 ZINC000442875978 500637985 /nfs/dbraw/zinc/63/79/85/500637985.db2.gz QBWZMVMCJKHRSQ-LJQANCHMSA-N 1 2 363.889 3.396 20 30 FGEDLO C=CCN(Cc1cccs1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442908953 500645668 /nfs/dbraw/zinc/64/56/68/500645668.db2.gz RXVLCEQZUMSRLM-UHFFFAOYSA-N 1 2 373.503 3.370 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437892378 500713034 /nfs/dbraw/zinc/71/30/34/500713034.db2.gz SGODSRAFBRFZAP-DLBZAZTESA-N 1 2 373.440 3.345 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437892378 500713038 /nfs/dbraw/zinc/71/30/38/500713038.db2.gz SGODSRAFBRFZAP-DLBZAZTESA-N 1 2 373.440 3.345 20 30 FGEDLO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1[nH+]c2cc(Cl)ccc2n1C ZINC000443551670 500737161 /nfs/dbraw/zinc/73/71/61/500737161.db2.gz LZFJZPKUNUBZAJ-UHFFFAOYSA-N 1 2 363.808 3.165 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2c1CCC2 ZINC000448578885 500775840 /nfs/dbraw/zinc/77/58/40/500775840.db2.gz QJROCSSMPATMPL-UHFFFAOYSA-N 1 2 359.473 3.313 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000438918601 500835190 /nfs/dbraw/zinc/83/51/90/500835190.db2.gz NTVSHRQRWBGBRC-LADGPHEKSA-N 1 2 371.484 3.107 20 30 FGEDLO CC(C)(C)CN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448918271 500868603 /nfs/dbraw/zinc/86/86/03/500868603.db2.gz QQBMLOOJPXECSB-UHFFFAOYSA-N 1 2 355.398 3.182 20 30 FGEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444775361 500897167 /nfs/dbraw/zinc/89/71/67/500897167.db2.gz ICFSHHNTINECLA-CABCVRRESA-N 1 2 362.905 3.027 20 30 FGEDLO Cn1c[nH+]cc1CN(Cc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000435032266 500924755 /nfs/dbraw/zinc/92/47/55/500924755.db2.gz FMOXYKKRSOYCBG-UHFFFAOYSA-N 1 2 358.405 3.080 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000435444251 500979093 /nfs/dbraw/zinc/97/90/93/500979093.db2.gz RJQFXESGZDIAOE-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000435444251 500979094 /nfs/dbraw/zinc/97/90/94/500979094.db2.gz RJQFXESGZDIAOE-JKSUJKDBSA-N 1 2 360.882 3.110 20 30 FGEDLO Cc1cc(NC2CCC(Oc3ncccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000445662127 501016338 /nfs/dbraw/zinc/01/63/38/501016338.db2.gz QINAHLJYMDUNJF-UHFFFAOYSA-N 1 2 351.454 3.399 20 30 FGEDLO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596056948 506231684 /nfs/dbraw/zinc/23/16/84/506231684.db2.gz BIKCSHLDOZUSML-INIZCTEOSA-N 1 2 372.450 3.322 20 30 FGEDLO C=CC[C@@H]1N(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCC1(C)C ZINC000436104491 501071452 /nfs/dbraw/zinc/07/14/52/501071452.db2.gz OGCINZAZCXPSPV-SFHVURJKSA-N 1 2 372.513 3.195 20 30 FGEDLO Clc1ccc(C#CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000436267970 501098801 /nfs/dbraw/zinc/09/88/01/501098801.db2.gz FSXCOJFIZYYGEP-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1ccc(C#CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000436267970 501098802 /nfs/dbraw/zinc/09/88/02/501098802.db2.gz FSXCOJFIZYYGEP-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1ccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000436267970 501098805 /nfs/dbraw/zinc/09/88/05/501098805.db2.gz FSXCOJFIZYYGEP-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO Clc1ccc(C#CCN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000436267970 501098807 /nfs/dbraw/zinc/09/88/07/501098807.db2.gz FSXCOJFIZYYGEP-YADHBBJMSA-N 1 2 366.892 3.277 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000449966677 501139830 /nfs/dbraw/zinc/13/98/30/501139830.db2.gz RAJHUYZMLPTAFF-CQSZACIVSA-N 1 2 356.857 3.069 20 30 FGEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441469873 501144657 /nfs/dbraw/zinc/14/46/57/501144657.db2.gz GHWRODHOSSTXCI-UHFFFAOYSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cccc(C#N)c1Br)CCC2 ZINC000450199004 501208547 /nfs/dbraw/zinc/20/85/47/501208547.db2.gz KAXXCQNJTHSMJI-CYBMUJFWSA-N 1 2 373.254 3.133 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316784 501231927 /nfs/dbraw/zinc/23/19/27/501231927.db2.gz GBZRAFABLGVGRB-BBRMVZONSA-N 1 2 372.450 3.402 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316784 501231929 /nfs/dbraw/zinc/23/19/29/501231929.db2.gz GBZRAFABLGVGRB-BBRMVZONSA-N 1 2 372.450 3.402 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)nc1 ZINC000451061210 501242686 /nfs/dbraw/zinc/24/26/86/501242686.db2.gz XRSPIIIHCCLEQA-NRFANRHFSA-N 1 2 373.460 3.046 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)nc1 ZINC000451061210 501242687 /nfs/dbraw/zinc/24/26/87/501242687.db2.gz XRSPIIIHCCLEQA-NRFANRHFSA-N 1 2 373.460 3.046 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(C)(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000453147262 501278481 /nfs/dbraw/zinc/27/84/81/501278481.db2.gz QAMYCNZHXAAMMQ-KRWDZBQOSA-N 1 2 354.454 3.243 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(C)(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000453147262 501278483 /nfs/dbraw/zinc/27/84/83/501278483.db2.gz QAMYCNZHXAAMMQ-KRWDZBQOSA-N 1 2 354.454 3.243 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451890936 501394008 /nfs/dbraw/zinc/39/40/08/501394008.db2.gz NUHDZOBHIUDEMQ-GXFFZTMASA-N 1 2 363.177 3.066 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451890936 501394010 /nfs/dbraw/zinc/39/40/10/501394010.db2.gz NUHDZOBHIUDEMQ-GXFFZTMASA-N 1 2 363.177 3.066 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458585251 501481255 /nfs/dbraw/zinc/48/12/55/501481255.db2.gz FPXJAVRGSWPVMS-JKSUJKDBSA-N 1 2 366.868 3.415 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458585251 501481259 /nfs/dbraw/zinc/48/12/59/501481259.db2.gz FPXJAVRGSWPVMS-JKSUJKDBSA-N 1 2 366.868 3.415 20 30 FGEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626828 501492576 /nfs/dbraw/zinc/49/25/76/501492576.db2.gz PVHSWXBQKBHLRC-IAGOWNOFSA-N 1 2 351.853 3.279 20 30 FGEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626828 501492578 /nfs/dbraw/zinc/49/25/78/501492578.db2.gz PVHSWXBQKBHLRC-IAGOWNOFSA-N 1 2 351.853 3.279 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000456399051 501517638 /nfs/dbraw/zinc/51/76/38/501517638.db2.gz UJDSXPFFNLOVOU-AWEZNQCLSA-N 1 2 364.405 3.438 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459018543 501577746 /nfs/dbraw/zinc/57/77/46/501577746.db2.gz HLSPNPRMHZGKLP-MSOLQXFVSA-N 1 2 374.872 3.092 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459096077 501593309 /nfs/dbraw/zinc/59/33/09/501593309.db2.gz DLKTXXQHXOAVLC-CQSZACIVSA-N 1 2 357.414 3.270 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456838835 501608374 /nfs/dbraw/zinc/60/83/74/501608374.db2.gz CUCSSGPUSZENBP-UHFFFAOYSA-N 1 2 353.422 3.054 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000459412313 501649603 /nfs/dbraw/zinc/64/96/03/501649603.db2.gz RNRCHYPKINTWRS-UHFFFAOYSA-N 1 2 369.396 3.175 20 30 FGEDLO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C#N)sc2C)cc1 ZINC000459458692 501657519 /nfs/dbraw/zinc/65/75/19/501657519.db2.gz FTAQMPOAHUUCJV-GDBMZVCRSA-N 1 2 370.478 3.348 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C#N)n2)cc1 ZINC000459471967 501659186 /nfs/dbraw/zinc/65/91/86/501659186.db2.gz WFAHJDJNRBUBCX-DZGCQCFKSA-N 1 2 356.451 3.039 20 30 FGEDLO COC1(c2ccccc2)C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459551361 501674952 /nfs/dbraw/zinc/67/49/52/501674952.db2.gz NVFXLAALXLCTJI-UHFFFAOYSA-N 1 2 358.445 3.316 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccn(C)n1 ZINC000459797409 501715310 /nfs/dbraw/zinc/71/53/10/501715310.db2.gz SAXSXEAAFJXHLN-UONOGXRCSA-N 1 2 357.483 3.104 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000457556109 501720529 /nfs/dbraw/zinc/72/05/29/501720529.db2.gz CZVPEDBBRIRFGA-RPVQJOFSSA-N 1 2 352.425 3.055 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304786 501766228 /nfs/dbraw/zinc/76/62/28/501766228.db2.gz PEBPMJUNLYGGBM-UAGQMJEPSA-N 1 2 367.367 3.210 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304786 501766231 /nfs/dbraw/zinc/76/62/31/501766231.db2.gz PEBPMJUNLYGGBM-UAGQMJEPSA-N 1 2 367.367 3.210 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000471008865 501889112 /nfs/dbraw/zinc/88/91/12/501889112.db2.gz USSXCBGRFLMPDV-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000471008865 501889119 /nfs/dbraw/zinc/88/91/19/501889119.db2.gz USSXCBGRFLMPDV-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO C=C(CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000478184393 501902967 /nfs/dbraw/zinc/90/29/67/501902967.db2.gz UYQKRXGEGFOSMN-UHFFFAOYSA-N 1 2 360.461 3.487 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000464648939 502054358 /nfs/dbraw/zinc/05/43/58/502054358.db2.gz HBJMHLGCPLZAQD-MRXNPFEDSA-N 1 2 350.890 3.465 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508674 502093442 /nfs/dbraw/zinc/09/34/42/502093442.db2.gz OKOYUOZDPZTDQV-RDJZCZTQSA-N 1 2 360.454 3.151 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508674 502093446 /nfs/dbraw/zinc/09/34/46/502093446.db2.gz OKOYUOZDPZTDQV-RDJZCZTQSA-N 1 2 360.454 3.151 20 30 FGEDLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464818279 502104083 /nfs/dbraw/zinc/10/40/83/502104083.db2.gz LECHESWGEAKDQD-LEWJYISDSA-N 1 2 363.461 3.083 20 30 FGEDLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464818279 502104089 /nfs/dbraw/zinc/10/40/89/502104089.db2.gz LECHESWGEAKDQD-LEWJYISDSA-N 1 2 363.461 3.083 20 30 FGEDLO COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000461790198 502202148 /nfs/dbraw/zinc/20/21/48/502202148.db2.gz XPJQSORBGMQMSG-MGPUTAFESA-N 1 2 374.444 3.310 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472155793 502251663 /nfs/dbraw/zinc/25/16/63/502251663.db2.gz MMUUOENCRKCWKY-SFHVURJKSA-N 1 2 359.424 3.152 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057647 502281000 /nfs/dbraw/zinc/28/10/00/502281000.db2.gz TZICOJDYDDUSRG-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057647 502281006 /nfs/dbraw/zinc/28/10/06/502281006.db2.gz TZICOJDYDDUSRG-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000469057647 502281014 /nfs/dbraw/zinc/28/10/14/502281014.db2.gz TZICOJDYDDUSRG-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)cc1Cl ZINC000462067246 502293119 /nfs/dbraw/zinc/29/31/19/502293119.db2.gz KZQNINXHNMDKKN-UHFFFAOYSA-N 1 2 374.872 3.026 20 30 FGEDLO Cc1ccn2cc(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)[nH+]c2c1 ZINC000469148423 502315358 /nfs/dbraw/zinc/31/53/58/502315358.db2.gz XQOMVBUCPPARNG-UHFFFAOYSA-N 1 2 357.373 3.099 20 30 FGEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1[C@H]1COc2ccccc2O1 ZINC000479617169 502320233 /nfs/dbraw/zinc/32/02/33/502320233.db2.gz LDUNOPSICBMDDK-OAHLLOKOSA-N 1 2 369.450 3.002 20 30 FGEDLO C=CCCC1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000476030744 502364042 /nfs/dbraw/zinc/36/40/42/502364042.db2.gz SMOGQACCBIHEMT-QGZVFWFLSA-N 1 2 355.482 3.408 20 30 FGEDLO CC[C@]1(C)CN(c2[nH+]c(C)cc(N3CCO[C@@](C)(CC)C3)c2C#N)CCO1 ZINC000596203543 506309130 /nfs/dbraw/zinc/30/91/30/506309130.db2.gz PHIACHQRQOXLPW-LEWJYISDSA-N 1 2 372.513 3.272 20 30 FGEDLO CCn1nc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c2ccccc21 ZINC000473138287 502524782 /nfs/dbraw/zinc/52/47/82/502524782.db2.gz LGMNJGSEOPRHMA-JOCHJYFZSA-N 1 2 359.477 3.439 20 30 FGEDLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C#N ZINC000602836980 506320972 /nfs/dbraw/zinc/32/09/72/506320972.db2.gz RKBLDGUXXSXLQP-DOTOQJQBSA-N 1 2 353.426 3.118 20 30 FGEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)o2)cc1C ZINC000602866709 506330695 /nfs/dbraw/zinc/33/06/95/506330695.db2.gz XABUVFZPZOSANZ-ULQDDVLXSA-N 1 2 353.470 3.333 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000602864532 506330749 /nfs/dbraw/zinc/33/07/49/506330749.db2.gz RTKXPUIPYANQNN-TZMCWYRMSA-N 1 2 358.492 3.379 20 30 FGEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H](C)N1CC#N ZINC000602866186 506330839 /nfs/dbraw/zinc/33/08/39/506330839.db2.gz VBNXKBYYNSYUGZ-QZTJIDSGSA-N 1 2 362.477 3.210 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cncc1F ZINC000513270296 502893679 /nfs/dbraw/zinc/89/36/79/502893679.db2.gz CDOMAXWFHRBGDI-SECBINFHSA-N 1 2 350.756 3.174 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000602897161 506341841 /nfs/dbraw/zinc/34/18/41/506341841.db2.gz UYEDAKMMFHFMRJ-UHFFFAOYSA-N 1 2 359.433 3.284 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000497386011 502945605 /nfs/dbraw/zinc/94/56/05/502945605.db2.gz JUDTUSVKBVHHPJ-UHFFFAOYSA-N 1 2 364.449 3.465 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000501226057 502962675 /nfs/dbraw/zinc/96/26/75/502962675.db2.gz IJOOMCTWHRLXCL-UHFFFAOYSA-N 1 2 364.474 3.499 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513593979 502975045 /nfs/dbraw/zinc/97/50/45/502975045.db2.gz KIDMMKOGJIRGDU-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2ccccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513593979 502975048 /nfs/dbraw/zinc/97/50/48/502975048.db2.gz KIDMMKOGJIRGDU-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513661891 502994467 /nfs/dbraw/zinc/99/44/67/502994467.db2.gz WTPXGUICYJKAHB-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513661891 502994472 /nfs/dbraw/zinc/99/44/72/502994472.db2.gz WTPXGUICYJKAHB-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)CCC#N)c1c(F)cccc1F ZINC000497629740 503004299 /nfs/dbraw/zinc/00/42/99/503004299.db2.gz TYQGLGSIFLKBSU-HNNXBMFYSA-N 1 2 352.429 3.197 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510074970 503043900 /nfs/dbraw/zinc/04/39/00/503043900.db2.gz SPVSGRYWGOVEQA-UHFFFAOYSA-N 1 2 373.407 3.240 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489881576 503055614 /nfs/dbraw/zinc/05/56/14/503055614.db2.gz GPJQPXVVOATTHZ-QUCCMNQESA-N 1 2 357.417 3.179 20 30 FGEDLO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000510162450 503061967 /nfs/dbraw/zinc/06/19/67/503061967.db2.gz ZVHXZYWSUZYTTH-SFHVURJKSA-N 1 2 372.465 3.074 20 30 FGEDLO C[C@@H]1CCc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)sc2C1 ZINC000506389122 503107575 /nfs/dbraw/zinc/10/75/75/503107575.db2.gz YGKQWTWRSKHVKI-OAHLLOKOSA-N 1 2 352.507 3.462 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490090045 503107903 /nfs/dbraw/zinc/10/79/03/503107903.db2.gz NFAPEOMOOYWOAD-IMSIIYSGSA-N 1 2 362.421 3.255 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)c1C ZINC000602925974 506355122 /nfs/dbraw/zinc/35/51/22/506355122.db2.gz MKOUIKGTCMVDNA-UHFFFAOYSA-N 1 2 371.510 3.206 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)c1C ZINC000602925974 506355129 /nfs/dbraw/zinc/35/51/29/506355129.db2.gz MKOUIKGTCMVDNA-UHFFFAOYSA-N 1 2 371.510 3.206 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929030 506356369 /nfs/dbraw/zinc/35/63/69/506356369.db2.gz TVAVOQUNCYNMRG-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929030 506356376 /nfs/dbraw/zinc/35/63/76/506356376.db2.gz TVAVOQUNCYNMRG-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000510905066 503214852 /nfs/dbraw/zinc/21/48/52/503214852.db2.gz NBQSJDOURWPJKF-UHFFFAOYSA-N 1 2 366.440 3.111 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510966389 503226841 /nfs/dbraw/zinc/22/68/41/503226841.db2.gz HRSJHVKIVLGRTC-QGZVFWFLSA-N 1 2 356.445 3.266 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000507219674 503254017 /nfs/dbraw/zinc/25/40/17/503254017.db2.gz PPRYSRFWKCAOLZ-OAQYLSRUSA-N 1 2 363.461 3.179 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000507219674 503254022 /nfs/dbraw/zinc/25/40/22/503254022.db2.gz PPRYSRFWKCAOLZ-OAQYLSRUSA-N 1 2 363.461 3.179 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000502763191 503266282 /nfs/dbraw/zinc/26/62/82/503266282.db2.gz QEYSHGVKGBBWJV-SFHVURJKSA-N 1 2 361.482 3.010 20 30 FGEDLO Cc1c(C#N)cccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000511171687 503273351 /nfs/dbraw/zinc/27/33/51/503273351.db2.gz QOJMRCDRFXUFFU-UHFFFAOYSA-N 1 2 360.417 3.416 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CCCCC1 ZINC000515342313 503318763 /nfs/dbraw/zinc/31/87/63/503318763.db2.gz WDPQMPHUKKLPGG-QGZVFWFLSA-N 1 2 361.436 3.314 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CCCCC1 ZINC000515342313 503318767 /nfs/dbraw/zinc/31/87/67/503318767.db2.gz WDPQMPHUKKLPGG-QGZVFWFLSA-N 1 2 361.436 3.314 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000499239136 503362308 /nfs/dbraw/zinc/36/23/08/503362308.db2.gz FKIHFEIVWDEURH-UHFFFAOYSA-N 1 2 356.429 3.024 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000499239136 503362310 /nfs/dbraw/zinc/36/23/10/503362310.db2.gz FKIHFEIVWDEURH-UHFFFAOYSA-N 1 2 356.429 3.024 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)NCc1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000515837408 503409597 /nfs/dbraw/zinc/40/95/97/503409597.db2.gz VLECVTNLHZHPOR-GOSISDBHSA-N 1 2 372.419 3.133 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)ccc(O)c3F)CC2)c1 ZINC000507986835 503409678 /nfs/dbraw/zinc/40/96/78/503409678.db2.gz VKNIGKSRACBAOZ-UHFFFAOYSA-N 1 2 371.387 3.393 20 30 FGEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981036 506372484 /nfs/dbraw/zinc/37/24/84/506372484.db2.gz YWEADKWELRYPJV-DYESRHJHSA-N 1 2 362.477 3.408 20 30 FGEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981036 506372490 /nfs/dbraw/zinc/37/24/90/506372490.db2.gz YWEADKWELRYPJV-DYESRHJHSA-N 1 2 362.477 3.408 20 30 FGEDLO C=CC[N@H+](Cc1c(F)ccc(O)c1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353230 503480600 /nfs/dbraw/zinc/48/06/00/503480600.db2.gz AZWJBLLNQBNDJS-ZDUSSCGKSA-N 1 2 371.391 3.395 20 30 FGEDLO C=CC[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353230 503480601 /nfs/dbraw/zinc/48/06/01/503480601.db2.gz AZWJBLLNQBNDJS-ZDUSSCGKSA-N 1 2 371.391 3.395 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000512211007 503487644 /nfs/dbraw/zinc/48/76/44/503487644.db2.gz HYBYEORIXRYBOG-HXUWFJFHSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000512211007 503487649 /nfs/dbraw/zinc/48/76/49/503487649.db2.gz HYBYEORIXRYBOG-HXUWFJFHSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000494228216 503508001 /nfs/dbraw/zinc/50/80/01/503508001.db2.gz UKJGTUWQCWLZJN-VQTJNVASSA-N 1 2 357.498 3.118 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2Br)C1=O ZINC000499989990 503529159 /nfs/dbraw/zinc/52/91/59/503529159.db2.gz VWDWEAYFODDWFF-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2Br)C1=O ZINC000499989990 503529165 /nfs/dbraw/zinc/52/91/65/503529165.db2.gz VWDWEAYFODDWFF-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000508858343 503579876 /nfs/dbraw/zinc/57/98/76/503579876.db2.gz HFIVPPRENUTNGK-UHFFFAOYSA-N 1 2 350.466 3.453 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000504542270 503585300 /nfs/dbraw/zinc/58/53/00/503585300.db2.gz OWIVBEMLQKTIHB-VMPITWQZSA-N 1 2 363.436 3.097 20 30 FGEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508895848 503592177 /nfs/dbraw/zinc/59/21/77/503592177.db2.gz PYVSZUBVIZZXBP-GOSISDBHSA-N 1 2 361.440 3.324 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2cccc(Br)c21 ZINC000516973613 503635599 /nfs/dbraw/zinc/63/55/99/503635599.db2.gz HSRWGHHXTODBQX-KRWDZBQOSA-N 1 2 360.255 3.176 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c(F)c1 ZINC000512818096 503639106 /nfs/dbraw/zinc/63/91/06/503639106.db2.gz PMLYAWZCEKZOBT-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO C[C@@H](C#N)C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000536750856 503711503 /nfs/dbraw/zinc/71/15/03/503711503.db2.gz ATSMMJGJLPMABN-LBPRGKRZSA-N 1 2 355.511 3.319 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000536750856 503711508 /nfs/dbraw/zinc/71/15/08/503711508.db2.gz ATSMMJGJLPMABN-LBPRGKRZSA-N 1 2 355.511 3.319 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c1C#N ZINC000527315948 503761693 /nfs/dbraw/zinc/76/16/93/503761693.db2.gz JTVMCPWZBTXPPB-UHFFFAOYSA-N 1 2 370.526 3.037 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000540488094 503789034 /nfs/dbraw/zinc/78/90/34/503789034.db2.gz KIWHVJBUSASELU-UYAOXDASSA-N 1 2 359.514 3.412 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000543545292 503809116 /nfs/dbraw/zinc/80/91/16/503809116.db2.gz SFLAHSKJHSYZHN-CQSZACIVSA-N 1 2 360.433 3.259 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000530059820 503818307 /nfs/dbraw/zinc/81/83/07/503818307.db2.gz CNAMFWKIUNWHKT-UHFFFAOYSA-N 1 2 374.444 3.039 20 30 FGEDLO Cc1nc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2c([nH+]1)CCCC2 ZINC000541090176 504002955 /nfs/dbraw/zinc/00/29/55/504002955.db2.gz LTHZEARRZULYJP-IBGZPJMESA-N 1 2 361.449 3.143 20 30 FGEDLO N#Cc1cccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000530694079 504054480 /nfs/dbraw/zinc/05/44/80/504054480.db2.gz SVZLLFDESISXRM-UHFFFAOYSA-N 1 2 362.458 3.235 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000534520360 504163129 /nfs/dbraw/zinc/16/31/29/504163129.db2.gz BRYZKOXLRGZBOU-HXUWFJFHSA-N 1 2 372.534 3.034 20 30 FGEDLO C=CCOc1cccnc1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000538254793 504178940 /nfs/dbraw/zinc/17/89/40/504178940.db2.gz SSSIFQHIWUWPJL-UHFFFAOYSA-N 1 2 362.433 3.163 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4ccc(F)cc4c3)CC2)cc1 ZINC000534647489 504201199 /nfs/dbraw/zinc/20/11/99/504201199.db2.gz HKPQEZOZJLZYHR-UHFFFAOYSA-N 1 2 374.419 3.204 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000541654993 504212605 /nfs/dbraw/zinc/21/26/05/504212605.db2.gz DJKGFBOZJFRGGS-ZDUSSCGKSA-N 1 2 356.495 3.279 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000528447285 504228146 /nfs/dbraw/zinc/22/81/46/504228146.db2.gz YRUBXWGGTSTBDH-NSHDSACASA-N 1 2 353.235 3.001 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000528447285 504228154 /nfs/dbraw/zinc/22/81/54/504228154.db2.gz YRUBXWGGTSTBDH-NSHDSACASA-N 1 2 353.235 3.001 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538534596 504276783 /nfs/dbraw/zinc/27/67/83/504276783.db2.gz LLOQUXFKMCLHNE-SJORKVTESA-N 1 2 374.909 3.498 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538534596 504276785 /nfs/dbraw/zinc/27/67/85/504276785.db2.gz LLOQUXFKMCLHNE-SJORKVTESA-N 1 2 374.909 3.498 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541947956 504311242 /nfs/dbraw/zinc/31/12/42/504311242.db2.gz CBLOFVZNJBDUTE-UHFFFAOYSA-N 1 2 365.481 3.362 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc(CC#N)cc1 ZINC000519769926 504333964 /nfs/dbraw/zinc/33/39/64/504333964.db2.gz OUGABEWXDNCXSB-UHFFFAOYSA-N 1 2 361.449 3.300 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000542018531 504338476 /nfs/dbraw/zinc/33/84/76/504338476.db2.gz SDARSYIINAFIST-UHFFFAOYSA-N 1 2 365.387 3.415 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4cccs4)no3)CCOCC2)cc1 ZINC000528781947 504377746 /nfs/dbraw/zinc/37/77/46/504377746.db2.gz IPBSLVXDKUVKOJ-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC000528789430 504382720 /nfs/dbraw/zinc/38/27/20/504382720.db2.gz RQJKNXDOVKZUNU-OAHLLOKOSA-N 1 2 359.227 3.153 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC000528789430 504382722 /nfs/dbraw/zinc/38/27/22/504382722.db2.gz RQJKNXDOVKZUNU-OAHLLOKOSA-N 1 2 359.227 3.153 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000535253793 504383328 /nfs/dbraw/zinc/38/33/28/504383328.db2.gz YOFBKEVFRUIQAG-LJQANCHMSA-N 1 2 358.445 3.450 20 30 FGEDLO N#CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000542251244 504423745 /nfs/dbraw/zinc/42/37/45/504423745.db2.gz WWTOTSDEPUSZRI-OAHLLOKOSA-N 1 2 352.841 3.046 20 30 FGEDLO N#CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000542251244 504423748 /nfs/dbraw/zinc/42/37/48/504423748.db2.gz WWTOTSDEPUSZRI-OAHLLOKOSA-N 1 2 352.841 3.046 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000545296932 504433768 /nfs/dbraw/zinc/43/37/68/504433768.db2.gz URWMIYVGVVKRBR-UHFFFAOYSA-N 1 2 354.410 3.251 20 30 FGEDLO Cc1cccc2c1CC[C@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520614892 504541822 /nfs/dbraw/zinc/54/18/22/504541822.db2.gz BGWYDDJWYMFBAV-JOCHJYFZSA-N 1 2 374.488 3.381 20 30 FGEDLO Cn1c[nH+]cc1Cc1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 ZINC000545843092 504611368 /nfs/dbraw/zinc/61/13/68/504611368.db2.gz LTDROFKKDZRAAZ-BQYQJAHWSA-N 1 2 358.405 3.433 20 30 FGEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccc(N)[nH+]c3)c2)cc1 ZINC000548974931 504641676 /nfs/dbraw/zinc/64/16/76/504641676.db2.gz PVNLIWUZROJBJT-UHFFFAOYSA-N 1 2 359.389 3.480 20 30 FGEDLO C=CC[C@@H]1N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCCC1(C)C ZINC000521321802 504709804 /nfs/dbraw/zinc/70/98/04/504709804.db2.gz JAINFFLKKJSBKB-IBGZPJMESA-N 1 2 357.498 3.121 20 30 FGEDLO N#Cc1cc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1Cl ZINC000543069733 504710889 /nfs/dbraw/zinc/71/08/89/504710889.db2.gz RHPUCRWFRVOOBV-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO Cc1ccnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000543137094 504738194 /nfs/dbraw/zinc/73/81/94/504738194.db2.gz MMYFDNOODJSTRD-QZTJIDSGSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000543137094 504738195 /nfs/dbraw/zinc/73/81/95/504738195.db2.gz MMYFDNOODJSTRD-QZTJIDSGSA-N 1 2 356.857 3.399 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000539926888 504740215 /nfs/dbraw/zinc/74/02/15/504740215.db2.gz GRTZOTYTAHWXSB-UHFFFAOYSA-N 1 2 365.462 3.428 20 30 FGEDLO Cc1ccc(C)n1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532826793 504764073 /nfs/dbraw/zinc/76/40/73/504764073.db2.gz AZGLVQBAUWSQTE-UHFFFAOYSA-N 1 2 371.506 3.087 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1F ZINC000556106339 504798762 /nfs/dbraw/zinc/79/87/62/504798762.db2.gz GFJWQTOSEFPZKC-UHFFFAOYSA-N 1 2 368.861 3.315 20 30 FGEDLO C=CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1F ZINC000556106339 504798766 /nfs/dbraw/zinc/79/87/66/504798766.db2.gz GFJWQTOSEFPZKC-UHFFFAOYSA-N 1 2 368.861 3.315 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C2 ZINC000559394371 504853539 /nfs/dbraw/zinc/85/35/39/504853539.db2.gz SKJRVAFRCASSIJ-UHFFFAOYSA-N 1 2 368.502 3.477 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C2 ZINC000559394371 504853545 /nfs/dbraw/zinc/85/35/45/504853545.db2.gz SKJRVAFRCASSIJ-UHFFFAOYSA-N 1 2 368.502 3.477 20 30 FGEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)CC2 ZINC000559473866 504870524 /nfs/dbraw/zinc/87/05/24/504870524.db2.gz IRNIDJHAJJZBHR-FQEVSTJZSA-N 1 2 363.486 3.237 20 30 FGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2cccc(OCCCC#N)c2)c1 ZINC000565489758 504902382 /nfs/dbraw/zinc/90/23/82/504902382.db2.gz CGYZMUCTQURVAR-OAQYLSRUSA-N 1 2 363.461 3.351 20 30 FGEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2cccc(OCCCC#N)c2)c1 ZINC000565489758 504902386 /nfs/dbraw/zinc/90/23/86/504902386.db2.gz CGYZMUCTQURVAR-OAQYLSRUSA-N 1 2 363.461 3.351 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549840898 504913950 /nfs/dbraw/zinc/91/39/50/504913950.db2.gz AASCUPJJYJEVBJ-XJKSGUPXSA-N 1 2 350.425 3.231 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549840898 504913953 /nfs/dbraw/zinc/91/39/53/504913953.db2.gz AASCUPJJYJEVBJ-XJKSGUPXSA-N 1 2 350.425 3.231 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)s1 ZINC000553446218 504917976 /nfs/dbraw/zinc/91/79/76/504917976.db2.gz WZSKLLLNKMBNDT-UHFFFAOYSA-N 1 2 374.267 3.253 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000559743055 504921111 /nfs/dbraw/zinc/92/11/11/504921111.db2.gz IQVFNSUEEJDMIU-GOSISDBHSA-N 1 2 367.453 3.428 20 30 FGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000550126078 504971884 /nfs/dbraw/zinc/97/18/84/504971884.db2.gz LGUTULDWCFRJKM-AWEZNQCLSA-N 1 2 355.463 3.283 20 30 FGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000550126078 504971887 /nfs/dbraw/zinc/97/18/87/504971887.db2.gz LGUTULDWCFRJKM-AWEZNQCLSA-N 1 2 355.463 3.283 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000560038472 504975215 /nfs/dbraw/zinc/97/52/15/504975215.db2.gz ZKEDDCFTKKWFFL-INIZCTEOSA-N 1 2 369.490 3.018 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000550167597 504983842 /nfs/dbraw/zinc/98/38/42/504983842.db2.gz WDPCYHXYDKLUDW-ICSRJNTNSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000550167597 504983845 /nfs/dbraw/zinc/98/38/45/504983845.db2.gz WDPCYHXYDKLUDW-ICSRJNTNSA-N 1 2 373.497 3.221 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550337363 505026086 /nfs/dbraw/zinc/02/60/86/505026086.db2.gz OCYOJMKQCNYZAK-LLVKDONJSA-N 1 2 358.467 3.118 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550337363 505026092 /nfs/dbraw/zinc/02/60/92/505026092.db2.gz OCYOJMKQCNYZAK-LLVKDONJSA-N 1 2 358.467 3.118 20 30 FGEDLO Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000560307229 505041846 /nfs/dbraw/zinc/04/18/46/505041846.db2.gz CPURJTMCDSFVAO-UHFFFAOYSA-N 1 2 366.421 3.129 20 30 FGEDLO COc1cc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)ccc1C#N ZINC000563259672 505089290 /nfs/dbraw/zinc/08/92/90/505089290.db2.gz FPQIPBVCBPIWOJ-UHFFFAOYSA-N 1 2 371.803 3.230 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000563375210 505126115 /nfs/dbraw/zinc/12/61/15/505126115.db2.gz CNAMMADDJLKMBN-STQMWFEESA-N 1 2 370.762 3.491 20 30 FGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000563379466 505126276 /nfs/dbraw/zinc/12/62/76/505126276.db2.gz SGRWDQWAZWEYEL-SNVBAGLBSA-N 1 2 352.316 3.040 20 30 FGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000563379466 505126280 /nfs/dbraw/zinc/12/62/80/505126280.db2.gz SGRWDQWAZWEYEL-SNVBAGLBSA-N 1 2 352.316 3.040 20 30 FGEDLO Cc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000566305923 505139937 /nfs/dbraw/zinc/13/99/37/505139937.db2.gz AXCKFYBIVOPZDE-QFIPXVFZSA-N 1 2 364.493 3.447 20 30 FGEDLO Cc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000566305923 505139943 /nfs/dbraw/zinc/13/99/43/505139943.db2.gz AXCKFYBIVOPZDE-QFIPXVFZSA-N 1 2 364.493 3.447 20 30 FGEDLO N#Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000563703479 505216533 /nfs/dbraw/zinc/21/65/33/505216533.db2.gz PUXJNNUEXASLPW-UHFFFAOYSA-N 1 2 368.238 3.191 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000561213603 505282847 /nfs/dbraw/zinc/28/28/47/505282847.db2.gz FJXXMYQSBUSDNT-UHFFFAOYSA-N 1 2 351.406 3.176 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000558127356 505315109 /nfs/dbraw/zinc/31/51/09/505315109.db2.gz PWJFXCPEQQDXNM-LJQANCHMSA-N 1 2 361.449 3.242 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000558127355 505315367 /nfs/dbraw/zinc/31/53/67/505315367.db2.gz PWJFXCPEQQDXNM-IBGZPJMESA-N 1 2 361.449 3.242 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C(C)(C)C)cc1 ZINC000564151283 505339362 /nfs/dbraw/zinc/33/93/62/505339362.db2.gz DKAXAZDOECFVMM-UHFFFAOYSA-N 1 2 371.506 3.156 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(C(C)(C)C)cc1 ZINC000564151283 505339366 /nfs/dbraw/zinc/33/93/66/505339366.db2.gz DKAXAZDOECFVMM-UHFFFAOYSA-N 1 2 371.506 3.156 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000558398313 505376773 /nfs/dbraw/zinc/37/67/73/505376773.db2.gz PRMIWVBCAFMQJN-UHFFFAOYSA-N 1 2 367.424 3.231 20 30 FGEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593106386 506396271 /nfs/dbraw/zinc/39/62/71/506396271.db2.gz ZIXANSFGUVUCIS-HNNXBMFYSA-N 1 2 361.873 3.220 20 30 FGEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593106386 506396273 /nfs/dbraw/zinc/39/62/73/506396273.db2.gz ZIXANSFGUVUCIS-HNNXBMFYSA-N 1 2 361.873 3.220 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362884 506427500 /nfs/dbraw/zinc/42/75/00/506427500.db2.gz RGVMQGRBOANPAY-DOTOQJQBSA-N 1 2 362.271 3.328 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362884 506427508 /nfs/dbraw/zinc/42/75/08/506427508.db2.gz RGVMQGRBOANPAY-DOTOQJQBSA-N 1 2 362.271 3.328 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000593154888 506428801 /nfs/dbraw/zinc/42/88/01/506428801.db2.gz PIGBFEIMBYYNFC-QGZVFWFLSA-N 1 2 364.421 3.321 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174383 506473145 /nfs/dbraw/zinc/47/31/45/506473145.db2.gz GNZJUZVBSDRUGQ-QGZVFWFLSA-N 1 2 354.381 3.137 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174383 506473147 /nfs/dbraw/zinc/47/31/47/506473147.db2.gz GNZJUZVBSDRUGQ-QGZVFWFLSA-N 1 2 354.381 3.137 20 30 FGEDLO CCc1nc(C[NH+]2CCN(c3ccc(C#N)cc3COC)CC2)cs1 ZINC000603281837 506477324 /nfs/dbraw/zinc/47/73/24/506477324.db2.gz ZCETWFUPVHJLSV-UHFFFAOYSA-N 1 2 356.495 3.046 20 30 FGEDLO CN(C(=O)NCC1(C#N)CCCC1)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603434197 506511838 /nfs/dbraw/zinc/51/18/38/506511838.db2.gz CPMRKPRDQVTDAM-MRXNPFEDSA-N 1 2 355.417 3.364 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CCCCC1 ZINC000599636542 506543441 /nfs/dbraw/zinc/54/34/41/506543441.db2.gz ZCFUEIDWNXVCNS-UHFFFAOYSA-N 1 2 365.399 3.406 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CCCCC1 ZINC000599636542 506543446 /nfs/dbraw/zinc/54/34/46/506543446.db2.gz ZCFUEIDWNXVCNS-UHFFFAOYSA-N 1 2 365.399 3.406 20 30 FGEDLO C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680901 506576721 /nfs/dbraw/zinc/57/67/21/506576721.db2.gz JPBJFJUHTVHOPI-OALUTQOASA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680901 506576722 /nfs/dbraw/zinc/57/67/22/506576722.db2.gz JPBJFJUHTVHOPI-OALUTQOASA-N 1 2 374.431 3.496 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCn3cc[nH+]c3)cn2)cc1 ZINC000603690651 506596098 /nfs/dbraw/zinc/59/60/98/506596098.db2.gz SAWBBUZRMKJGJD-UHFFFAOYSA-N 1 2 362.393 3.154 20 30 FGEDLO N#CC1(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000593430099 506614767 /nfs/dbraw/zinc/61/47/67/506614767.db2.gz AVQVJDPJIZDBFA-MRXNPFEDSA-N 1 2 355.486 3.192 20 30 FGEDLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612543723 506617487 /nfs/dbraw/zinc/61/74/87/506617487.db2.gz RNUOJQBWBBTYII-LSDHHAIUSA-N 1 2 351.454 3.258 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000583299657 506703025 /nfs/dbraw/zinc/70/30/25/506703025.db2.gz SNHWTGZEESWBSO-GFCCVEGCSA-N 1 2 350.875 3.311 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)c1C#N ZINC000583354080 506732854 /nfs/dbraw/zinc/73/28/54/506732854.db2.gz WKQSECAFHCAVTO-UHFFFAOYSA-N 1 2 368.506 3.359 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000609146040 506792978 /nfs/dbraw/zinc/79/29/78/506792978.db2.gz JHFCDQJAQJBPRF-UHFFFAOYSA-N 1 2 360.417 3.250 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000597172512 506812868 /nfs/dbraw/zinc/81/28/68/506812868.db2.gz BTLGNVUFMCEWQN-LBPRGKRZSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000597172512 506812861 /nfs/dbraw/zinc/81/28/61/506812861.db2.gz BTLGNVUFMCEWQN-LBPRGKRZSA-N 1 2 351.244 3.346 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3F)c2C1 ZINC000609230169 506819813 /nfs/dbraw/zinc/81/98/13/506819813.db2.gz ZLUAMJIODJLOHU-UHFFFAOYSA-N 1 2 374.419 3.163 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3F)c2C1 ZINC000609230169 506819818 /nfs/dbraw/zinc/81/98/18/506819818.db2.gz ZLUAMJIODJLOHU-UHFFFAOYSA-N 1 2 374.419 3.163 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OC ZINC000597182946 506820122 /nfs/dbraw/zinc/82/01/22/506820122.db2.gz FUYSXORHFSOHSP-UHFFFAOYSA-N 1 2 361.442 3.098 20 30 FGEDLO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000594008506 506879476 /nfs/dbraw/zinc/87/94/76/506879476.db2.gz RVSUCTUFDDUZMJ-OAHLLOKOSA-N 1 2 354.841 3.343 20 30 FGEDLO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000594008506 506879484 /nfs/dbraw/zinc/87/94/84/506879484.db2.gz RVSUCTUFDDUZMJ-OAHLLOKOSA-N 1 2 354.841 3.343 20 30 FGEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000609547348 506917429 /nfs/dbraw/zinc/91/74/29/506917429.db2.gz JESJGMTVCBIOMW-CQSZACIVSA-N 1 2 373.507 3.125 20 30 FGEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000609547348 506917435 /nfs/dbraw/zinc/91/74/35/506917435.db2.gz JESJGMTVCBIOMW-CQSZACIVSA-N 1 2 373.507 3.125 20 30 FGEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nc1 ZINC000583708964 506927899 /nfs/dbraw/zinc/92/78/99/506927899.db2.gz NXQJTRUHIRXDFB-UHFFFAOYSA-N 1 2 365.824 3.146 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609656871 506963447 /nfs/dbraw/zinc/96/34/47/506963447.db2.gz JBFHXLZRKKJGNL-NRFANRHFSA-N 1 2 374.444 3.464 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)c1c(F)cccc1F ZINC000609663944 506966094 /nfs/dbraw/zinc/96/60/94/506966094.db2.gz AIDWJRDQWHMAHH-SFHVURJKSA-N 1 2 357.404 3.188 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000590831603 506987831 /nfs/dbraw/zinc/98/78/31/506987831.db2.gz CLYBBGHPCOSLSU-RYQLBKOJSA-N 1 2 351.454 3.085 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000613351727 507045509 /nfs/dbraw/zinc/04/55/09/507045509.db2.gz CAQVHVHYWXUNQK-QAPCUYQASA-N 1 2 358.486 3.178 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000584002633 507097786 /nfs/dbraw/zinc/09/77/86/507097786.db2.gz HAXGCIOQHDCNNW-UKRRQHHQSA-N 1 2 356.451 3.301 20 30 FGEDLO COC(=O)C1CCN(c2ccc(-c3ccc(OC)c(C#N)c3)c[nH+]2)CC1 ZINC000600787580 507121306 /nfs/dbraw/zinc/12/13/06/507121306.db2.gz ARIMCFPNLJSYST-UHFFFAOYSA-N 1 2 351.406 3.018 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2c[nH+]c[nH]2)cc1C ZINC000597864324 507141317 /nfs/dbraw/zinc/14/13/17/507141317.db2.gz PCAHWPWLRBVFNJ-UHFFFAOYSA-N 1 2 362.437 3.076 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2c[nH]c[nH+]2)cc1C ZINC000597864324 507141327 /nfs/dbraw/zinc/14/13/27/507141327.db2.gz PCAHWPWLRBVFNJ-UHFFFAOYSA-N 1 2 362.437 3.076 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000610357477 507211374 /nfs/dbraw/zinc/21/13/74/507211374.db2.gz NOAPXEHPEHOFNF-QGZVFWFLSA-N 1 2 373.460 3.018 20 30 FGEDLO Cc1ccc2[nH]c(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc2c1C ZINC000613735484 507235442 /nfs/dbraw/zinc/23/54/42/507235442.db2.gz IPPYMYMAFRCKAU-OAHLLOKOSA-N 1 2 360.465 3.157 20 30 FGEDLO Cc1ccc2[nH]c(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc2c1C ZINC000613735484 507235450 /nfs/dbraw/zinc/23/54/50/507235450.db2.gz IPPYMYMAFRCKAU-OAHLLOKOSA-N 1 2 360.465 3.157 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000594714383 507249518 /nfs/dbraw/zinc/24/95/18/507249518.db2.gz YVYJUEJTSNCQMZ-UONOGXRCSA-N 1 2 358.467 3.138 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000610514401 507272839 /nfs/dbraw/zinc/27/28/39/507272839.db2.gz UKNMQCFJMISYQY-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614056994 507349471 /nfs/dbraw/zinc/34/94/71/507349471.db2.gz XHVJOIZQMAPGMQ-IBGZPJMESA-N 1 2 366.465 3.296 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000584520923 507391304 /nfs/dbraw/zinc/39/13/04/507391304.db2.gz RDSGGSNPPGKGHW-GOSISDBHSA-N 1 2 365.433 3.049 20 30 FGEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000584520923 507391314 /nfs/dbraw/zinc/39/13/14/507391314.db2.gz RDSGGSNPPGKGHW-GOSISDBHSA-N 1 2 365.433 3.049 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000610798069 507393946 /nfs/dbraw/zinc/39/39/46/507393946.db2.gz FEXWZJAZPRAUJW-UHFFFAOYSA-N 1 2 374.444 3.277 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000584622714 507432027 /nfs/dbraw/zinc/43/20/27/507432027.db2.gz QUNPREDOYNCFLR-IBGZPJMESA-N 1 2 356.857 3.339 20 30 FGEDLO C=CCC[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000614466362 507526317 /nfs/dbraw/zinc/52/63/17/507526317.db2.gz OSHPQVJVXZCGLC-GOSISDBHSA-N 1 2 368.481 3.422 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C#N ZINC000611127291 507526720 /nfs/dbraw/zinc/52/67/20/507526720.db2.gz VVDOEMIJPLNGJH-QFIPXVFZSA-N 1 2 362.429 3.019 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1C#N ZINC000611127291 507526721 /nfs/dbraw/zinc/52/67/21/507526721.db2.gz VVDOEMIJPLNGJH-QFIPXVFZSA-N 1 2 362.429 3.019 20 30 FGEDLO N#CC1(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCCC1 ZINC000595537873 507548930 /nfs/dbraw/zinc/54/89/30/507548930.db2.gz GQJUQKCNDRHFDQ-UHFFFAOYSA-N 1 2 365.481 3.399 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cn1 ZINC000611209260 507563084 /nfs/dbraw/zinc/56/30/84/507563084.db2.gz MCDZEWRHFIDWNW-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cn1 ZINC000611209260 507563089 /nfs/dbraw/zinc/56/30/89/507563089.db2.gz MCDZEWRHFIDWNW-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000595610171 507588158 /nfs/dbraw/zinc/58/81/58/507588158.db2.gz SNCHRCXGGUDHNT-LBPRGKRZSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000595610171 507588163 /nfs/dbraw/zinc/58/81/63/507588163.db2.gz SNCHRCXGGUDHNT-LBPRGKRZSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000595609164 507587970 /nfs/dbraw/zinc/58/79/70/507587970.db2.gz HHMLVGDDUAPXBM-MRXNPFEDSA-N 1 2 353.388 3.203 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000595609164 507587981 /nfs/dbraw/zinc/58/79/81/507587981.db2.gz HHMLVGDDUAPXBM-MRXNPFEDSA-N 1 2 353.388 3.203 20 30 FGEDLO C[C@@]1(C2CC2)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000595616850 507593492 /nfs/dbraw/zinc/59/34/92/507593492.db2.gz DVVFMMHOOVSRBB-IBGZPJMESA-N 1 2 361.873 3.088 20 30 FGEDLO C[C@@]1(C2CC2)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000595616850 507593494 /nfs/dbraw/zinc/59/34/94/507593494.db2.gz DVVFMMHOOVSRBB-IBGZPJMESA-N 1 2 361.873 3.088 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595617640 507593868 /nfs/dbraw/zinc/59/38/68/507593868.db2.gz XNBRGNANELCXKT-AWEZNQCLSA-N 1 2 370.478 3.383 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595617640 507593875 /nfs/dbraw/zinc/59/38/75/507593875.db2.gz XNBRGNANELCXKT-AWEZNQCLSA-N 1 2 370.478 3.383 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000595620824 507598469 /nfs/dbraw/zinc/59/84/69/507598469.db2.gz RFORPYFDBVSUHG-LLVKDONJSA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000595620824 507598477 /nfs/dbraw/zinc/59/84/77/507598477.db2.gz RFORPYFDBVSUHG-LLVKDONJSA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000595620824 507598483 /nfs/dbraw/zinc/59/84/83/507598483.db2.gz RFORPYFDBVSUHG-LLVKDONJSA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000595620824 507598491 /nfs/dbraw/zinc/59/84/91/507598491.db2.gz RFORPYFDBVSUHG-LLVKDONJSA-N 1 2 365.359 3.146 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000595669437 507619068 /nfs/dbraw/zinc/61/90/68/507619068.db2.gz UWAAROLLAKXOPA-AWEZNQCLSA-N 1 2 358.467 3.139 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 ZINC000595732630 507653774 /nfs/dbraw/zinc/65/37/74/507653774.db2.gz JRUBOMOBUHJYBR-UHFFFAOYSA-N 1 2 374.473 3.204 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[nH+]c12 ZINC000586792406 507673672 /nfs/dbraw/zinc/67/36/72/507673672.db2.gz VPBCJOYZAFERPB-UHFFFAOYSA-N 1 2 364.424 3.290 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(C(F)(F)F)s3)CCOCC2)c1 ZINC000595767535 507676436 /nfs/dbraw/zinc/67/64/36/507676436.db2.gz DFUYVQLGJFEXCC-UHFFFAOYSA-N 1 2 368.384 3.224 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000611432335 507680194 /nfs/dbraw/zinc/68/01/94/507680194.db2.gz UGANJSMXFDULMI-LJQANCHMSA-N 1 2 357.498 3.308 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000587866754 507718830 /nfs/dbraw/zinc/71/88/30/507718830.db2.gz VZXCIDVUKXTPOV-HNNXBMFYSA-N 1 2 363.421 3.162 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000275489332 523604342 /nfs/dbraw/zinc/60/43/42/523604342.db2.gz AKOMDAIWFZKHFP-INIZCTEOSA-N 1 2 372.538 3.430 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000275489332 523604349 /nfs/dbraw/zinc/60/43/49/523604349.db2.gz AKOMDAIWFZKHFP-INIZCTEOSA-N 1 2 372.538 3.430 20 30 FGEDLO CC(=O)Nc1cc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330350856 568320591 /nfs/dbraw/zinc/32/05/91/568320591.db2.gz LOLFQQPGGJQEBX-YJBOKZPZSA-N 1 2 371.441 3.392 20 30 FGEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000015365474 695618395 /nfs/dbraw/zinc/61/83/95/695618395.db2.gz GSCLTQIULNPHAK-NSHDSACASA-N 1 2 362.227 3.113 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181544 700226595 /nfs/dbraw/zinc/22/65/95/700226595.db2.gz GUMXGGKZYKHEQO-SDDRHHMPSA-N 1 2 358.326 3.248 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181544 700226603 /nfs/dbraw/zinc/22/66/03/700226603.db2.gz GUMXGGKZYKHEQO-SDDRHHMPSA-N 1 2 358.326 3.248 20 30 FGEDLO C#CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000128989503 700782083 /nfs/dbraw/zinc/78/20/83/700782083.db2.gz QSBLZJLGURQFOG-MRXNPFEDSA-N 1 2 354.475 3.279 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2nc(C(F)(F)F)cs2)cc1OC ZINC000154227246 705026440 /nfs/dbraw/zinc/02/64/40/705026440.db2.gz QXIMGOWSPPOOSR-UHFFFAOYSA-N 1 2 361.345 3.016 20 30 FGEDLO NC(=[NH+]OCCOCC(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000189257783 712790431 /nfs/dbraw/zinc/79/04/31/712790431.db2.gz WZZHSPKUXDDPNB-UHFFFAOYSA-N 1 2 350.365 3.184 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCc1ccccc1F ZINC000303599883 713787104 /nfs/dbraw/zinc/78/71/04/713787104.db2.gz UWQQWUGEKSUFNY-GFCCVEGCSA-N 1 2 363.820 3.015 20 30 FGEDLO CCCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000373802079 713872131 /nfs/dbraw/zinc/87/21/31/713872131.db2.gz YMSNBGPOZPCFGG-UHFFFAOYSA-N 1 2 364.287 3.155 20 30 FGEDLO CCCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000373802079 713872135 /nfs/dbraw/zinc/87/21/35/713872135.db2.gz YMSNBGPOZPCFGG-UHFFFAOYSA-N 1 2 364.287 3.155 20 30 FGEDLO N#CCSc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000374389898 713919081 /nfs/dbraw/zinc/91/90/81/713919081.db2.gz TYEPHMGWBYEGHE-GOSISDBHSA-N 1 2 355.438 3.228 20 30 FGEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796146 713944352 /nfs/dbraw/zinc/94/43/52/713944352.db2.gz CIRGOOJGSNCKGJ-RHSMWYFYSA-N 1 2 355.463 3.410 20 30 FGEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796146 713944354 /nfs/dbraw/zinc/94/43/54/713944354.db2.gz CIRGOOJGSNCKGJ-RHSMWYFYSA-N 1 2 355.463 3.410 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2cc(C#N)ccc2F)cc1O ZINC000779085545 724389025 /nfs/dbraw/zinc/38/90/25/724389025.db2.gz BMYSMOIKLBNLLX-UHFFFAOYSA-N 1 2 365.202 3.464 20 30 FGEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1F ZINC000804416425 724513203 /nfs/dbraw/zinc/51/32/03/724513203.db2.gz FUWLWAKQXSRTHG-KRWDZBQOSA-N 1 2 355.800 3.468 20 30 FGEDLO CN=c1scc(-c2nccs2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000781941117 724614623 /nfs/dbraw/zinc/61/46/23/724614623.db2.gz SNOOFEJLRZPLHU-UHFFFAOYSA-N 1 2 372.504 3.333 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H](C)COC ZINC000664319613 720624293 /nfs/dbraw/zinc/62/42/93/720624293.db2.gz NRWREYQVSSJWMD-CQSZACIVSA-N 1 2 352.504 3.184 20 30 FGEDLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949392 724711148 /nfs/dbraw/zinc/71/11/48/724711148.db2.gz UNFFFTKXBHGNJB-GFCCVEGCSA-N 1 2 370.291 3.171 20 30 FGEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949859 724711653 /nfs/dbraw/zinc/71/16/53/724711653.db2.gz OOAJPUWELGBALB-UHFFFAOYSA-N 1 2 353.220 3.012 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1I ZINC000783301576 724745756 /nfs/dbraw/zinc/74/57/56/724745756.db2.gz YSYQPCKJUOPMBS-NSHDSACASA-N 1 2 363.202 3.409 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679871967 722051546 /nfs/dbraw/zinc/05/15/46/722051546.db2.gz DESFTAAJQPUXDY-RDJZCZTQSA-N 1 2 355.404 3.457 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000679871967 722051549 /nfs/dbraw/zinc/05/15/49/722051549.db2.gz DESFTAAJQPUXDY-RDJZCZTQSA-N 1 2 355.404 3.457 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000730280714 722466731 /nfs/dbraw/zinc/46/67/31/722466731.db2.gz ZDWAPRVMWIUCPG-INIZCTEOSA-N 1 2 373.909 3.486 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000730280714 722466732 /nfs/dbraw/zinc/46/67/32/722466732.db2.gz ZDWAPRVMWIUCPG-INIZCTEOSA-N 1 2 373.909 3.486 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000744422990 722576727 /nfs/dbraw/zinc/57/67/27/722576727.db2.gz OMVYZSBLWKMKOJ-ZZXKWVIFSA-N 1 2 356.775 3.149 20 30 FGEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472436 722603892 /nfs/dbraw/zinc/60/38/92/722603892.db2.gz PKYFMFGBTZCTJV-NVXWUHKLSA-N 1 2 370.902 3.030 20 30 FGEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472436 722603894 /nfs/dbraw/zinc/60/38/94/722603894.db2.gz PKYFMFGBTZCTJV-NVXWUHKLSA-N 1 2 370.902 3.030 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(C#N)s3)CC2)cc1 ZINC000749404039 722727611 /nfs/dbraw/zinc/72/76/11/722727611.db2.gz RSOOJMNEETZISA-UHFFFAOYSA-N 1 2 354.479 3.085 20 30 FGEDLO FC(F)Oc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755683900 722955699 /nfs/dbraw/zinc/95/56/99/722955699.db2.gz UQJWRHZABJPDAS-UHFFFAOYSA-N 1 2 354.382 3.027 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1C#N ZINC000792913959 723381940 /nfs/dbraw/zinc/38/19/40/723381940.db2.gz WAQNOYULTDTODO-ZBFHGGJFSA-N 1 2 353.249 3.361 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1C#N ZINC000792913959 723381943 /nfs/dbraw/zinc/38/19/43/723381943.db2.gz WAQNOYULTDTODO-ZBFHGGJFSA-N 1 2 353.249 3.361 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000794831682 723548246 /nfs/dbraw/zinc/54/82/46/723548246.db2.gz HEFWZWPTEMREBY-CQSZACIVSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nc1 ZINC000794831682 723548247 /nfs/dbraw/zinc/54/82/47/723548247.db2.gz HEFWZWPTEMREBY-CQSZACIVSA-N 1 2 358.785 3.168 20 30 FGEDLO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000769953538 723701903 /nfs/dbraw/zinc/70/19/03/723701903.db2.gz OXYWSDYQPZERGU-KRWDZBQOSA-N 1 2 364.511 3.095 20 30 FGEDLO C=CC[C@@H]1[N@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000769953538 723701905 /nfs/dbraw/zinc/70/19/05/723701905.db2.gz OXYWSDYQPZERGU-KRWDZBQOSA-N 1 2 364.511 3.095 20 30 FGEDLO CCOCCO[NH+]=Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000774436564 723893177 /nfs/dbraw/zinc/89/31/77/723893177.db2.gz KGQRDAVAWAWBEY-UHFFFAOYSA-N 1 2 350.850 3.287 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)[C@@H]1CCCO1 ZINC000775791024 724061723 /nfs/dbraw/zinc/06/17/23/724061723.db2.gz KPYTWFFPXRXFNI-SJORKVTESA-N 1 2 358.463 3.098 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000786037698 724955138 /nfs/dbraw/zinc/95/51/38/724955138.db2.gz DUSMYWXQMZLOHH-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000787203972 725019902 /nfs/dbraw/zinc/01/99/02/725019902.db2.gz CBYAPBKKXFGBBM-UHFFFAOYSA-N 1 2 369.690 3.064 20 30 FGEDLO C[C@H](C[N@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787242910 725021902 /nfs/dbraw/zinc/02/19/02/725021902.db2.gz ACNIUGLWAZKLIN-GFCCVEGCSA-N 1 2 366.248 3.384 20 30 FGEDLO C[C@H](C[N@@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787242910 725021903 /nfs/dbraw/zinc/02/19/03/725021903.db2.gz ACNIUGLWAZKLIN-GFCCVEGCSA-N 1 2 366.248 3.384 20 30 FGEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000805828222 725099196 /nfs/dbraw/zinc/09/91/96/725099196.db2.gz DDIYVCZZPNOBCJ-CQSZACIVSA-N 1 2 366.259 3.031 20 30 FGEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000805828222 725099198 /nfs/dbraw/zinc/09/91/98/725099198.db2.gz DDIYVCZZPNOBCJ-CQSZACIVSA-N 1 2 366.259 3.031 20 30 FGEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000809555762 725247214 /nfs/dbraw/zinc/24/72/14/725247214.db2.gz DLIUUFHVQVLPFR-UHFFFAOYSA-N 1 2 356.828 3.418 20 30 FGEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811463882 725367209 /nfs/dbraw/zinc/36/72/09/725367209.db2.gz JVKCFIODDILSMJ-OLZOCXBDSA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811463882 725367211 /nfs/dbraw/zinc/36/72/11/725367211.db2.gz JVKCFIODDILSMJ-OLZOCXBDSA-N 1 2 350.488 3.140 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038152 725387896 /nfs/dbraw/zinc/38/78/96/725387896.db2.gz HRQQVRKVWOWMKJ-CZUORRHYSA-N 1 2 351.853 3.107 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038152 725387897 /nfs/dbraw/zinc/38/78/97/725387897.db2.gz HRQQVRKVWOWMKJ-CZUORRHYSA-N 1 2 351.853 3.107 20 30 FGEDLO C[C@@H]1C(=NNS(=O)(=O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000814693642 726993067 /nfs/dbraw/zinc/99/30/67/726993067.db2.gz AXXCIJJHTFSKIC-MRXNPFEDSA-N 1 2 357.479 3.005 20 30 FGEDLO C[C@@H]1C(=NNS(=O)(=O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814693642 726993070 /nfs/dbraw/zinc/99/30/70/726993070.db2.gz AXXCIJJHTFSKIC-MRXNPFEDSA-N 1 2 357.479 3.005 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000824867450 729362916 /nfs/dbraw/zinc/36/29/16/729362916.db2.gz PETYLSSWHOIJOH-UHFFFAOYSA-N 1 2 355.463 3.397 20 30 FGEDLO CCOC(C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975824 731001902 /nfs/dbraw/zinc/00/19/02/731001902.db2.gz QZXJDECENPJHIY-ZDUSSCGKSA-N 1 2 367.877 3.260 20 30 FGEDLO CCOC(C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975824 731001906 /nfs/dbraw/zinc/00/19/06/731001906.db2.gz QZXJDECENPJHIY-ZDUSSCGKSA-N 1 2 367.877 3.260 20 30 FGEDLO CC[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000852297965 731566222 /nfs/dbraw/zinc/56/62/22/731566222.db2.gz QPRHSDUBQWPGLC-MRXNPFEDSA-N 1 2 363.820 3.384 20 30 FGEDLO C#CCCC[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852498548 731593582 /nfs/dbraw/zinc/59/35/82/731593582.db2.gz LOHASGXAGRIYCF-HOTGVXAUSA-N 1 2 356.363 3.076 20 30 FGEDLO C#CCCC[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852498548 731593584 /nfs/dbraw/zinc/59/35/84/731593584.db2.gz LOHASGXAGRIYCF-HOTGVXAUSA-N 1 2 356.363 3.076 20 30 FGEDLO Cn1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(Br)n1 ZINC000862252643 732799451 /nfs/dbraw/zinc/79/94/51/732799451.db2.gz GQECFKUOZNGTPL-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(Br)n1 ZINC000862252643 732799456 /nfs/dbraw/zinc/79/94/56/732799456.db2.gz GQECFKUOZNGTPL-UHFFFAOYSA-N 1 2 357.255 3.344 20 30 FGEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000868910682 733660449 /nfs/dbraw/zinc/66/04/49/733660449.db2.gz WFIASZHKYKTTAL-HNNXBMFYSA-N 1 2 367.877 3.351 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)c1 ZINC000876563188 736114232 /nfs/dbraw/zinc/11/42/32/736114232.db2.gz ZSJDYYCQYOSNQV-UHFFFAOYSA-N 1 2 353.813 3.070 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000877622632 736695123 /nfs/dbraw/zinc/69/51/23/736695123.db2.gz RLGWHNWDRCXYEG-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000877622632 736695132 /nfs/dbraw/zinc/69/51/32/736695132.db2.gz RLGWHNWDRCXYEG-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000878057053 736764296 /nfs/dbraw/zinc/76/42/96/736764296.db2.gz XHRUXRNLINBRAA-UHFFFAOYSA-N 1 2 364.511 3.005 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2ccccc2Br)CC1 ZINC000878310829 736804837 /nfs/dbraw/zinc/80/48/37/736804837.db2.gz SKJOQBSAUSJZLZ-QGZVFWFLSA-N 1 2 350.304 3.157 20 30 FGEDLO Cc1ccnc(N)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000894603706 742304293 /nfs/dbraw/zinc/30/42/93/742304293.db2.gz YJFWBKOWIHOXCI-GOSISDBHSA-N 1 2 355.873 3.008 20 30 FGEDLO O=C1[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCCN1O ZINC000895165892 742383282 /nfs/dbraw/zinc/38/32/82/742383282.db2.gz NRJOEZWGBAJWQB-CYBMUJFWSA-N 1 2 371.384 3.299 20 30 FGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000901478611 743287490 /nfs/dbraw/zinc/28/74/90/743287490.db2.gz WJSKGABBIHTXOT-YVMONPNESA-N 1 2 372.368 3.135 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@H+]1C/C=C\Cl ZINC000948957159 762357816 /nfs/dbraw/zinc/35/78/16/762357816.db2.gz BDLKTTDLFBIJDA-CFPIYMGRSA-N 1 2 360.885 3.046 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C/C=C\Cl ZINC000948957159 762357824 /nfs/dbraw/zinc/35/78/24/762357824.db2.gz BDLKTTDLFBIJDA-CFPIYMGRSA-N 1 2 360.885 3.046 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000921581863 758749677 /nfs/dbraw/zinc/74/96/77/758749677.db2.gz QAWLQPCLFNBOFJ-MRXNPFEDSA-N 1 2 357.483 3.049 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953904 758826986 /nfs/dbraw/zinc/82/69/86/758826986.db2.gz ZBJAOQLVYLBPFS-QZTJIDSGSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](NCc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953904 758826996 /nfs/dbraw/zinc/82/69/96/758826996.db2.gz ZBJAOQLVYLBPFS-QZTJIDSGSA-N 1 2 361.898 3.435 20 30 FGEDLO FC(F)C(F)(F)CN1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929651364 760427093 /nfs/dbraw/zinc/42/70/93/760427093.db2.gz WGOQVHIKYMFVKY-QWRGUYRKSA-N 1 2 366.321 3.004 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358240 761144857 /nfs/dbraw/zinc/14/48/57/761144857.db2.gz KRRNNGDVZAPSEB-RHSMWYFYSA-N 1 2 356.495 3.182 20 30 FGEDLO Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940880 761279612 /nfs/dbraw/zinc/27/96/12/761279612.db2.gz IXAHBKUVYKOCBE-DTORHVGOSA-N 1 2 363.252 3.023 20 30 FGEDLO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940880 761279618 /nfs/dbraw/zinc/27/96/18/761279618.db2.gz IXAHBKUVYKOCBE-DTORHVGOSA-N 1 2 363.252 3.023 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784920 761718433 /nfs/dbraw/zinc/71/84/33/761718433.db2.gz DRASDQVREQTNKF-APHBMKBZSA-N 1 2 372.412 3.061 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784920 761718434 /nfs/dbraw/zinc/71/84/34/761718434.db2.gz DRASDQVREQTNKF-APHBMKBZSA-N 1 2 372.412 3.061 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CC1 ZINC000981662925 763514159 /nfs/dbraw/zinc/51/41/59/763514159.db2.gz CQAQUBOBKYALEE-RBUKOAKNSA-N 1 2 361.917 3.143 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)CC1 ZINC000981662925 763514165 /nfs/dbraw/zinc/51/41/65/763514165.db2.gz CQAQUBOBKYALEE-RBUKOAKNSA-N 1 2 361.917 3.143 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](CC=C(Cl)Cl)CC1 ZINC001000697526 765235457 /nfs/dbraw/zinc/23/54/57/765235457.db2.gz XTDRHBYDWBTTNE-CABCVRRESA-N 1 2 359.297 3.035 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC=C(Cl)Cl)CC1 ZINC001000697526 765235462 /nfs/dbraw/zinc/23/54/62/765235462.db2.gz XTDRHBYDWBTTNE-CABCVRRESA-N 1 2 359.297 3.035 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC001001170664 765269932 /nfs/dbraw/zinc/26/99/32/765269932.db2.gz FLJDBWJUSYEFNG-IEBWSBKVSA-N 1 2 356.897 3.486 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC001001170664 765269938 /nfs/dbraw/zinc/26/99/38/765269938.db2.gz FLJDBWJUSYEFNG-IEBWSBKVSA-N 1 2 356.897 3.486 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)s1 ZINC001004580136 765439077 /nfs/dbraw/zinc/43/90/77/765439077.db2.gz PKZXIZQSWKPOLB-KURKYZTESA-N 1 2 357.523 3.387 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)s1 ZINC001004580136 765439081 /nfs/dbraw/zinc/43/90/81/765439081.db2.gz PKZXIZQSWKPOLB-KURKYZTESA-N 1 2 357.523 3.387 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001007360167 765587693 /nfs/dbraw/zinc/58/76/93/765587693.db2.gz MWAKTDCHHGHVEX-IPMKNSEASA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001007360167 765587698 /nfs/dbraw/zinc/58/76/98/765587698.db2.gz MWAKTDCHHGHVEX-IPMKNSEASA-N 1 2 362.901 3.140 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001014472314 765783059 /nfs/dbraw/zinc/78/30/59/765783059.db2.gz VJKMXEHUSXQLAJ-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001014472314 765783065 /nfs/dbraw/zinc/78/30/65/765783065.db2.gz VJKMXEHUSXQLAJ-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001015727284 765800741 /nfs/dbraw/zinc/80/07/41/765800741.db2.gz ZMGSXHPUKPFCJG-ZACQAIPSSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001015727284 765800747 /nfs/dbraw/zinc/80/07/47/765800747.db2.gz ZMGSXHPUKPFCJG-ZACQAIPSSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC001031679912 766182808 /nfs/dbraw/zinc/18/28/08/766182808.db2.gz MXYUHLZRDFKFAT-AEFFLSMTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)cccc1Cl ZINC001032637979 766200324 /nfs/dbraw/zinc/20/03/24/766200324.db2.gz CBEJMEKHSCJFNU-GGXPGOJBSA-N 1 2 360.885 3.025 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)cccc1Cl ZINC001032637979 766200329 /nfs/dbraw/zinc/20/03/29/766200329.db2.gz CBEJMEKHSCJFNU-GGXPGOJBSA-N 1 2 360.885 3.025 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001046632269 766597783 /nfs/dbraw/zinc/59/77/83/766597783.db2.gz WDJILYPYJHTKOE-SIXWZSSISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001046632269 766597796 /nfs/dbraw/zinc/59/77/96/766597796.db2.gz WDJILYPYJHTKOE-SIXWZSSISA-N 1 2 366.864 3.151 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000071952585 136141499 /nfs/dbraw/zinc/14/14/99/136141499.db2.gz FVRNOARQDVOESS-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO N#CCCn1ncc(C(=O)Nc2c[nH+]c3n2CCCC3)c1-c1ccccc1 ZINC000576702862 505574230 /nfs/dbraw/zinc/57/42/30/505574230.db2.gz ZBLMKRSTFDMTAR-UHFFFAOYSA-N 1 2 360.421 3.249 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1OC ZINC000573618618 505580029 /nfs/dbraw/zinc/58/00/29/505580029.db2.gz PECANWIFOYWLHT-UHFFFAOYSA-N 1 2 355.413 3.295 20 30 FGEDLO C=CC[N@H+](CC(=O)N(CCC)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000599282808 506397418 /nfs/dbraw/zinc/39/74/18/506397418.db2.gz LZHOCKUDJHOGJZ-UHFFFAOYSA-N 1 2 353.388 3.347 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000571169803 505671071 /nfs/dbraw/zinc/67/10/71/505671071.db2.gz PEBRIUNICZYZTH-FQEVSTJZSA-N 1 2 366.396 3.063 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000080899614 493788597 /nfs/dbraw/zinc/78/85/97/493788597.db2.gz UFGIABKNVVGUDR-LEWJYISDSA-N 1 2 361.445 3.133 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000080905632 493789889 /nfs/dbraw/zinc/78/98/89/493789889.db2.gz OSOYQQFPDVDHCH-JOCHJYFZSA-N 1 2 357.461 3.255 20 30 FGEDLO Cc1nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1C#N ZINC000028934022 493808657 /nfs/dbraw/zinc/80/86/57/493808657.db2.gz IUKZKKJGNAVDRE-UHFFFAOYSA-N 1 2 355.467 3.202 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152875 493833090 /nfs/dbraw/zinc/83/30/90/493833090.db2.gz XHQNWUSOCKGXOS-WOJBJXKFSA-N 1 2 359.429 3.054 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152875 493833095 /nfs/dbraw/zinc/83/30/95/493833095.db2.gz XHQNWUSOCKGXOS-WOJBJXKFSA-N 1 2 359.429 3.054 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000081159443 493841069 /nfs/dbraw/zinc/84/10/69/493841069.db2.gz YUEQUKSGIXYZLQ-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081159443 493841072 /nfs/dbraw/zinc/84/10/72/493841072.db2.gz YUEQUKSGIXYZLQ-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)CSCc3ccc(C#N)cc3)cn21 ZINC000068570594 493843344 /nfs/dbraw/zinc/84/33/44/493843344.db2.gz YZJDOBAHBQTVAX-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO C=CCOc1ccccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029792456 493859316 /nfs/dbraw/zinc/85/93/16/493859316.db2.gz PQCIWNUYYNGTFR-UHFFFAOYSA-N 1 2 361.445 3.469 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000050091651 493896099 /nfs/dbraw/zinc/89/60/99/493896099.db2.gz MKMCGCXWSUVLPE-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231511 493905896 /nfs/dbraw/zinc/90/58/96/493905896.db2.gz KQISQSFLWGYCLW-KRWDZBQOSA-N 1 2 373.453 3.379 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231511 493905898 /nfs/dbraw/zinc/90/58/98/493905898.db2.gz KQISQSFLWGYCLW-KRWDZBQOSA-N 1 2 373.453 3.379 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000081513547 493907593 /nfs/dbraw/zinc/90/75/93/493907593.db2.gz GLWUEKQNILRSDB-UHFFFAOYSA-N 1 2 358.488 3.183 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000081513547 493907596 /nfs/dbraw/zinc/90/75/96/493907596.db2.gz GLWUEKQNILRSDB-UHFFFAOYSA-N 1 2 358.488 3.183 20 30 FGEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000081515088 493908141 /nfs/dbraw/zinc/90/81/41/493908141.db2.gz XREFRQLNEMQAJF-INIZCTEOSA-N 1 2 353.466 3.431 20 30 FGEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000081515088 493908145 /nfs/dbraw/zinc/90/81/45/493908145.db2.gz XREFRQLNEMQAJF-INIZCTEOSA-N 1 2 353.466 3.431 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041604 493920374 /nfs/dbraw/zinc/92/03/74/493920374.db2.gz XKLNCAGZOVULHY-OAHLLOKOSA-N 1 2 363.527 3.092 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041604 493920380 /nfs/dbraw/zinc/92/03/80/493920380.db2.gz XKLNCAGZOVULHY-OAHLLOKOSA-N 1 2 363.527 3.092 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Sc3ccccn3)CC2)c1 ZINC000081613751 493929544 /nfs/dbraw/zinc/92/95/44/493929544.db2.gz FMWPPNGTOWNTFL-UHFFFAOYSA-N 1 2 352.463 3.148 20 30 FGEDLO Cc1nnc([C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)[nH]1 ZINC000069169123 493932053 /nfs/dbraw/zinc/93/20/53/493932053.db2.gz UFMSXQFITMSIMN-FQEVSTJZSA-N 1 2 360.465 3.342 20 30 FGEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)[nH]1 ZINC000069169122 493932430 /nfs/dbraw/zinc/93/24/30/493932430.db2.gz UFMSXQFITMSIMN-HXUWFJFHSA-N 1 2 360.465 3.342 20 30 FGEDLO N#Cc1ccc(CCC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 ZINC000081929771 493966718 /nfs/dbraw/zinc/96/67/18/493966718.db2.gz QHIFUHKUHYCKKJ-UHFFFAOYSA-N 1 2 358.445 3.246 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052218644 494012537 /nfs/dbraw/zinc/01/25/37/494012537.db2.gz KCJHHWXXHODGNO-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247565 494014007 /nfs/dbraw/zinc/01/40/07/494014007.db2.gz GOIBQLVWYPAURD-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052247565 494014010 /nfs/dbraw/zinc/01/40/10/494014010.db2.gz GOIBQLVWYPAURD-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1C ZINC000083406043 494014872 /nfs/dbraw/zinc/01/48/72/494014872.db2.gz SSZIIPZXWCYRDW-IBGZPJMESA-N 1 2 360.498 3.134 20 30 FGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287335 494040091 /nfs/dbraw/zinc/04/00/91/494040091.db2.gz CTHZZCZBHOWLTB-UHFFFAOYSA-N 1 2 374.462 3.447 20 30 FGEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287335 494040093 /nfs/dbraw/zinc/04/00/93/494040093.db2.gz CTHZZCZBHOWLTB-UHFFFAOYSA-N 1 2 374.462 3.447 20 30 FGEDLO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350467 494116385 /nfs/dbraw/zinc/11/63/85/494116385.db2.gz MEFLODARWFYKPI-UHFFFAOYSA-N 1 2 358.423 3.377 20 30 FGEDLO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350467 494116388 /nfs/dbraw/zinc/11/63/88/494116388.db2.gz MEFLODARWFYKPI-UHFFFAOYSA-N 1 2 358.423 3.377 20 30 FGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000053944364 494176550 /nfs/dbraw/zinc/17/65/50/494176550.db2.gz SVRAYHXENVONKZ-UHFFFAOYSA-N 1 2 350.397 3.177 20 30 FGEDLO COc1cccc([C@H](NC(=O)Nc2cccc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000054008841 494185229 /nfs/dbraw/zinc/18/52/29/494185229.db2.gz QVGYPQIPKCTWCV-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO COc1ccc([C@H](NC(=O)Nc2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000054009427 494185402 /nfs/dbraw/zinc/18/54/02/494185402.db2.gz YEUQBXNDXAJRTQ-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO Cc1cc(Br)cc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)oc21 ZINC000574162007 505708848 /nfs/dbraw/zinc/70/88/48/505708848.db2.gz CVNLRDWIXBCLBQ-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000072691452 494234392 /nfs/dbraw/zinc/23/43/92/494234392.db2.gz WJXZMIMNYZTARI-HNNXBMFYSA-N 1 2 351.441 3.274 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000072691452 494234396 /nfs/dbraw/zinc/23/43/96/494234396.db2.gz WJXZMIMNYZTARI-HNNXBMFYSA-N 1 2 351.441 3.274 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000072717263 494239682 /nfs/dbraw/zinc/23/96/82/494239682.db2.gz KPHRAZJJEDXWAX-GOSISDBHSA-N 1 2 355.482 3.357 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000072717263 494239687 /nfs/dbraw/zinc/23/96/87/494239687.db2.gz KPHRAZJJEDXWAX-GOSISDBHSA-N 1 2 355.482 3.357 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043277973 494282433 /nfs/dbraw/zinc/28/24/33/494282433.db2.gz FQTXAHQCFNTFCF-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043998753 494334255 /nfs/dbraw/zinc/33/42/55/494334255.db2.gz SCHZHQUESJLHKG-UHFFFAOYSA-N 1 2 362.458 3.407 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000073314198 494356474 /nfs/dbraw/zinc/35/64/74/494356474.db2.gz LLVJKSWJIGYTHZ-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425506 494428642 /nfs/dbraw/zinc/42/86/42/494428642.db2.gz VFSGBBFPMMRLQQ-UHFFFAOYSA-N 1 2 361.449 3.370 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000091101623 494534852 /nfs/dbraw/zinc/53/48/52/494534852.db2.gz GVAIAWOHGAUJHL-SFHVURJKSA-N 1 2 356.429 3.301 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000056829188 494571532 /nfs/dbraw/zinc/57/15/32/494571532.db2.gz UCTPRMIGMJBTQL-UHFFFAOYSA-N 1 2 364.449 3.283 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000131320313 494583098 /nfs/dbraw/zinc/58/30/98/494583098.db2.gz DQWWUKCCKADDRH-KBXCAEBGSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000131320313 494583106 /nfs/dbraw/zinc/58/31/06/494583106.db2.gz DQWWUKCCKADDRH-KBXCAEBGSA-N 1 2 353.422 3.462 20 30 FGEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000125943105 494584093 /nfs/dbraw/zinc/58/40/93/494584093.db2.gz MGMDQNAJLFCDDO-UHFFFAOYSA-N 1 2 355.341 3.187 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361732 494605905 /nfs/dbraw/zinc/60/59/05/494605905.db2.gz SMYHBVFDHSNZSP-GFCCVEGCSA-N 1 2 365.829 3.117 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361732 494605916 /nfs/dbraw/zinc/60/59/16/494605916.db2.gz SMYHBVFDHSNZSP-GFCCVEGCSA-N 1 2 365.829 3.117 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1OC ZINC000091918200 494720585 /nfs/dbraw/zinc/72/05/85/494720585.db2.gz VXJPUYHYRORPRK-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C#CCOc1cccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000108520187 494729706 /nfs/dbraw/zinc/72/97/06/494729706.db2.gz SHDAMJXEGLULLR-UHFFFAOYSA-N 1 2 350.422 3.016 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1F ZINC000025372533 494731797 /nfs/dbraw/zinc/73/17/97/494731797.db2.gz RRHHPGDNQXDNIH-UHFFFAOYSA-N 1 2 354.429 3.040 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000025434497 494739943 /nfs/dbraw/zinc/73/99/43/494739943.db2.gz IFVNXCMKHVXRLE-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000025434497 494739951 /nfs/dbraw/zinc/73/99/51/494739951.db2.gz IFVNXCMKHVXRLE-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867216 494785427 /nfs/dbraw/zinc/78/54/27/494785427.db2.gz KEUXIFHZEUJQFH-HNNXBMFYSA-N 1 2 362.832 3.417 20 30 FGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867216 494785434 /nfs/dbraw/zinc/78/54/34/494785434.db2.gz KEUXIFHZEUJQFH-HNNXBMFYSA-N 1 2 362.832 3.417 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](c1ccccc1)c1ccccn1 ZINC000108869418 494797025 /nfs/dbraw/zinc/79/70/25/494797025.db2.gz MDNARJVQGJALDX-OAQYLSRUSA-N 1 2 362.477 3.445 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](c1ccccc1)c1ccccn1 ZINC000108869418 494797032 /nfs/dbraw/zinc/79/70/32/494797032.db2.gz MDNARJVQGJALDX-OAQYLSRUSA-N 1 2 362.477 3.445 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000026117121 494801487 /nfs/dbraw/zinc/80/14/87/494801487.db2.gz RQLUCEJFVLRPPP-GOSISDBHSA-N 1 2 355.463 3.004 20 30 FGEDLO N#Cc1ccc(CCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000026217101 494810448 /nfs/dbraw/zinc/81/04/48/494810448.db2.gz GSGJVGLCRSAQSP-UHFFFAOYSA-N 1 2 358.445 3.095 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000026669758 494833433 /nfs/dbraw/zinc/83/34/33/494833433.db2.gz YDTHXIJECUIBJX-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000026669758 494833438 /nfs/dbraw/zinc/83/34/38/494833438.db2.gz YDTHXIJECUIBJX-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000026669758 494833440 /nfs/dbraw/zinc/83/34/40/494833440.db2.gz YDTHXIJECUIBJX-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000026669758 494833444 /nfs/dbraw/zinc/83/34/44/494833444.db2.gz YDTHXIJECUIBJX-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@]([NH2+]Cc1ccc(F)c(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000121687592 494838707 /nfs/dbraw/zinc/83/87/07/494838707.db2.gz BMJXQZMJACLRSQ-KRWDZBQOSA-N 1 2 365.330 3.206 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000093416493 494889219 /nfs/dbraw/zinc/88/92/19/494889219.db2.gz LNGVJJHMCAKTEP-UHFFFAOYSA-N 1 2 373.394 3.387 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)ccc1OC ZINC000093663664 494910288 /nfs/dbraw/zinc/91/02/88/494910288.db2.gz ULMMYXCYESLKHU-UHFFFAOYSA-N 1 2 374.510 3.132 20 30 FGEDLO C[C@@H](N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1)C(F)(F)F ZINC000093882903 494930901 /nfs/dbraw/zinc/93/09/01/494930901.db2.gz XKBQJPYTMQKEAB-OAHLLOKOSA-N 1 2 355.404 3.438 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127579072 494964995 /nfs/dbraw/zinc/96/49/95/494964995.db2.gz QTPRKPJHTHKWNG-LAUBAEHRSA-N 1 2 360.461 3.478 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127579072 494964996 /nfs/dbraw/zinc/96/49/96/494964996.db2.gz QTPRKPJHTHKWNG-LAUBAEHRSA-N 1 2 360.461 3.478 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110405948 494976626 /nfs/dbraw/zinc/97/66/26/494976626.db2.gz REMKGPRIJIHLGR-UHFFFAOYSA-N 1 2 356.433 3.100 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000118393676 495000254 /nfs/dbraw/zinc/00/02/54/495000254.db2.gz JBSVCTNPECUYCR-QGZVFWFLSA-N 1 2 372.472 3.487 20 30 FGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000122947422 495057252 /nfs/dbraw/zinc/05/72/52/495057252.db2.gz VNDBALBWQBLJND-UHFFFAOYSA-N 1 2 366.421 3.357 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)Cc3ccco3)cn2c1 ZINC000103207160 495204639 /nfs/dbraw/zinc/20/46/39/495204639.db2.gz PWUAXFYZRPAPOG-UHFFFAOYSA-N 1 2 368.462 3.411 20 30 FGEDLO C[C@@H](CC#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135124222 495253264 /nfs/dbraw/zinc/25/32/64/495253264.db2.gz DKZWFGPEEXYGBY-WFASDCNBSA-N 1 2 350.260 3.004 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574427537 505770896 /nfs/dbraw/zinc/77/08/96/505770896.db2.gz VJFQIPQCIKOGSZ-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574427537 505770899 /nfs/dbraw/zinc/77/08/99/505770899.db2.gz VJFQIPQCIKOGSZ-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000119888812 495262966 /nfs/dbraw/zinc/26/29/66/495262966.db2.gz JXDXRWXCHNEHAT-UONOGXRCSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000119888812 495262970 /nfs/dbraw/zinc/26/29/70/495262970.db2.gz JXDXRWXCHNEHAT-UONOGXRCSA-N 1 2 361.511 3.182 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000104715160 495300512 /nfs/dbraw/zinc/30/05/12/495300512.db2.gz NOTMORHAUDOYCQ-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712703 495300595 /nfs/dbraw/zinc/30/05/95/495300595.db2.gz KQRPKDKRDOTCJE-INIZCTEOSA-N 1 2 374.448 3.138 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCCCNc2cccc[nH+]2)c1C#N ZINC000136209634 495364739 /nfs/dbraw/zinc/36/47/39/495364739.db2.gz MAERGZXZLMQJKD-UHFFFAOYSA-N 1 2 367.478 3.180 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000105986376 495399823 /nfs/dbraw/zinc/39/98/23/495399823.db2.gz PYGZUIVBWMUTPH-QGZVFWFLSA-N 1 2 374.529 3.317 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000114724008 495416586 /nfs/dbraw/zinc/41/65/86/495416586.db2.gz MRNLTHRKQAXXNT-UHFFFAOYSA-N 1 2 357.237 3.393 20 30 FGEDLO C=CC[N@H+](Cc1c[nH]c2nccnc12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000568820544 505784314 /nfs/dbraw/zinc/78/43/14/505784314.db2.gz OONLITFKBTVCKT-SFHVURJKSA-N 1 2 364.449 3.072 20 30 FGEDLO C=CC[N@@H+](Cc1c[nH]c2nccnc12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000568820544 505784318 /nfs/dbraw/zinc/78/43/18/505784318.db2.gz OONLITFKBTVCKT-SFHVURJKSA-N 1 2 364.449 3.072 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000120923661 495486457 /nfs/dbraw/zinc/48/64/57/495486457.db2.gz FLJVMYCUAWFRKB-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000120923661 495486460 /nfs/dbraw/zinc/48/64/60/495486460.db2.gz FLJVMYCUAWFRKB-QGZVFWFLSA-N 1 2 351.454 3.222 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000176209131 495546973 /nfs/dbraw/zinc/54/69/73/495546973.db2.gz ICCCAHBGMLEXKR-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000176209131 495546977 /nfs/dbraw/zinc/54/69/77/495546977.db2.gz ICCCAHBGMLEXKR-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185408431 495566094 /nfs/dbraw/zinc/56/60/94/495566094.db2.gz WLCLCSBTAWZGAE-HOTGVXAUSA-N 1 2 356.470 3.124 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(F)c1 ZINC000154530051 495645322 /nfs/dbraw/zinc/64/53/22/495645322.db2.gz OFNAPFGHXXFZRX-QGZVFWFLSA-N 1 2 370.334 3.228 20 30 FGEDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568911591 505806348 /nfs/dbraw/zinc/80/63/48/505806348.db2.gz OZAUDTDISHRDPN-HXUWFJFHSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568911591 505806351 /nfs/dbraw/zinc/80/63/51/505806351.db2.gz OZAUDTDISHRDPN-HXUWFJFHSA-N 1 2 372.490 3.424 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000155103733 495837769 /nfs/dbraw/zinc/83/77/69/495837769.db2.gz GJDFBXSLKISGGH-UHFFFAOYSA-N 1 2 364.405 3.089 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000183208075 495880309 /nfs/dbraw/zinc/88/03/09/495880309.db2.gz BFBGXPNVYOGNDY-FQEVSTJZSA-N 1 2 350.422 3.286 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000155257875 495894480 /nfs/dbraw/zinc/89/44/80/495894480.db2.gz YEEFXMWTDUWHMZ-QFIPXVFZSA-N 1 2 357.461 3.459 20 30 FGEDLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151714733 495926943 /nfs/dbraw/zinc/92/69/43/495926943.db2.gz WUSHFGKKNLGLIF-MGPUTAFESA-N 1 2 351.450 3.360 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccccc2C)c(C#N)c1C ZINC000177238037 495990020 /nfs/dbraw/zinc/99/00/20/495990020.db2.gz ZDGLRQPQBUXWBY-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2C)c(C#N)c1C ZINC000177238037 495990024 /nfs/dbraw/zinc/99/00/24/495990024.db2.gz ZDGLRQPQBUXWBY-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO Cc1ncsc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000171774087 496031966 /nfs/dbraw/zinc/03/19/66/496031966.db2.gz LKENMVVOCWQDEW-UHFFFAOYSA-N 1 2 362.886 3.484 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000171774087 496031967 /nfs/dbraw/zinc/03/19/67/496031967.db2.gz LKENMVVOCWQDEW-UHFFFAOYSA-N 1 2 362.886 3.484 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000180538645 496036443 /nfs/dbraw/zinc/03/64/43/496036443.db2.gz YDYPTIDVYJCWJB-GVDBMIGSSA-N 1 2 360.502 3.239 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183621477 496051970 /nfs/dbraw/zinc/05/19/70/496051970.db2.gz JWWDUDDREABZFI-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646799 496144705 /nfs/dbraw/zinc/14/47/05/496144705.db2.gz UAPXEPGVWZGBJE-IBGZPJMESA-N 1 2 364.493 3.400 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646799 496144709 /nfs/dbraw/zinc/14/47/09/496144709.db2.gz UAPXEPGVWZGBJE-IBGZPJMESA-N 1 2 364.493 3.400 20 30 FGEDLO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000574678966 505830091 /nfs/dbraw/zinc/83/00/91/505830091.db2.gz ZYOLMVXMXLDKJF-JTQLQIEISA-N 1 2 373.194 3.181 20 30 FGEDLO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000574678966 505830094 /nfs/dbraw/zinc/83/00/94/505830094.db2.gz ZYOLMVXMXLDKJF-JTQLQIEISA-N 1 2 373.194 3.181 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)c1 ZINC000152716820 496235304 /nfs/dbraw/zinc/23/53/04/496235304.db2.gz CAKXSRLHDORFEK-HXUWFJFHSA-N 1 2 364.445 3.301 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)c1 ZINC000152716820 496235310 /nfs/dbraw/zinc/23/53/10/496235310.db2.gz CAKXSRLHDORFEK-HXUWFJFHSA-N 1 2 364.445 3.301 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187028917 496259099 /nfs/dbraw/zinc/25/90/99/496259099.db2.gz ADOSGAWVQUUCFS-AWEZNQCLSA-N 1 2 361.492 3.192 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187028917 496259104 /nfs/dbraw/zinc/25/91/04/496259104.db2.gz ADOSGAWVQUUCFS-AWEZNQCLSA-N 1 2 361.492 3.192 20 30 FGEDLO N#Cc1cc(Br)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172380391 496275879 /nfs/dbraw/zinc/27/58/79/496275879.db2.gz OCLHKMHEEVXNKY-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000181162188 496292867 /nfs/dbraw/zinc/29/28/67/496292867.db2.gz MSYGLYSDYHUNFT-HXUWFJFHSA-N 1 2 372.852 3.092 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685182 496311458 /nfs/dbraw/zinc/31/14/58/496311458.db2.gz XHJFVTOLAFZTCI-UHFFFAOYSA-N 1 2 354.475 3.063 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685182 496311462 /nfs/dbraw/zinc/31/14/62/496311462.db2.gz XHJFVTOLAFZTCI-UHFFFAOYSA-N 1 2 354.475 3.063 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1 ZINC000184566269 496442500 /nfs/dbraw/zinc/44/25/00/496442500.db2.gz QQCPPLOZMPVQHU-GOEBONIOSA-N 1 2 373.478 3.447 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184688321 496493324 /nfs/dbraw/zinc/49/33/24/496493324.db2.gz MKWDWGBPOFOWGQ-IBGZPJMESA-N 1 2 369.465 3.429 20 30 FGEDLO N#Cc1cccc(NCC(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000164444835 496613199 /nfs/dbraw/zinc/61/31/99/496613199.db2.gz CPFJWCIUVIGIJM-UHFFFAOYSA-N 1 2 373.460 3.116 20 30 FGEDLO C=C(C)COc1cc(CNc2ccc[nH+]c2N2CCOCC2)ccc1OC ZINC000158107339 496629398 /nfs/dbraw/zinc/62/93/98/496629398.db2.gz LEBJYYNNXWACJH-UHFFFAOYSA-N 1 2 369.465 3.494 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)cc1F ZINC000158227720 496654969 /nfs/dbraw/zinc/65/49/69/496654969.db2.gz ATQAPCAJFCWYDR-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000188273277 496736191 /nfs/dbraw/zinc/73/61/91/496736191.db2.gz VMKGYDBXRKYHIG-IBGZPJMESA-N 1 2 353.466 3.296 20 30 FGEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2cccc(F)c2)no1 ZINC000191529926 496798824 /nfs/dbraw/zinc/79/88/24/496798824.db2.gz RIEPSNPDJIEAOE-LBPRGKRZSA-N 1 2 362.368 3.246 20 30 FGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000264257767 496853481 /nfs/dbraw/zinc/85/34/81/496853481.db2.gz ZMDSKDIJJYHCFT-LBPRGKRZSA-N 1 2 373.363 3.023 20 30 FGEDLO COc1cc(C#N)ccc1OCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273677953 496872191 /nfs/dbraw/zinc/87/21/91/496872191.db2.gz BGQOWNLIPNIFMH-UHFFFAOYSA-N 1 2 364.405 3.256 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1OC ZINC000191744054 496876031 /nfs/dbraw/zinc/87/60/31/496876031.db2.gz GQRSATFSPHIREE-QGZVFWFLSA-N 1 2 359.495 3.284 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1OC ZINC000191744054 496876036 /nfs/dbraw/zinc/87/60/36/496876036.db2.gz GQRSATFSPHIREE-QGZVFWFLSA-N 1 2 359.495 3.284 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264500811 496915669 /nfs/dbraw/zinc/91/56/69/496915669.db2.gz IIVFPVBECFXXJO-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO C=CCC1(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CCCCC1 ZINC000574881289 505874885 /nfs/dbraw/zinc/87/48/85/505874885.db2.gz DQCZFRHBXYSPLE-UHFFFAOYSA-N 1 2 355.486 3.172 20 30 FGEDLO Cc1cc(C(C)C)nc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000192193360 497028441 /nfs/dbraw/zinc/02/84/41/497028441.db2.gz OVZIKATWBJRHLG-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278200699 497035872 /nfs/dbraw/zinc/03/58/72/497035872.db2.gz WLASGLHCWHYXNT-JLJPHGGASA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278200699 497035876 /nfs/dbraw/zinc/03/58/76/497035876.db2.gz WLASGLHCWHYXNT-JLJPHGGASA-N 1 2 354.410 3.007 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1C ZINC000189291008 497071267 /nfs/dbraw/zinc/07/12/67/497071267.db2.gz ZXCBQTWJDIGNIV-VYDXJSESSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1C ZINC000189291008 497071271 /nfs/dbraw/zinc/07/12/71/497071271.db2.gz ZXCBQTWJDIGNIV-VYDXJSESSA-N 1 2 361.511 3.376 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248834453 497114203 /nfs/dbraw/zinc/11/42/03/497114203.db2.gz MVTCUPMIYAZASC-FZKCQIBNSA-N 1 2 361.511 3.253 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248834453 497114207 /nfs/dbraw/zinc/11/42/07/497114207.db2.gz MVTCUPMIYAZASC-FZKCQIBNSA-N 1 2 361.511 3.253 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000270389670 497117514 /nfs/dbraw/zinc/11/75/14/497117514.db2.gz HUOLDPHFDIGTKP-LJQANCHMSA-N 1 2 368.506 3.125 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000270389670 497117519 /nfs/dbraw/zinc/11/75/19/497117519.db2.gz HUOLDPHFDIGTKP-LJQANCHMSA-N 1 2 368.506 3.125 20 30 FGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ncc(C4CC4)o3)c2)n1 ZINC000270439456 497128482 /nfs/dbraw/zinc/12/84/82/497128482.db2.gz IXVXIEMIXFCHFS-UHFFFAOYSA-N 1 2 365.437 3.251 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000192557552 497148972 /nfs/dbraw/zinc/14/89/72/497148972.db2.gz UYSBHZRANQLYPD-FQEVSTJZSA-N 1 2 361.445 3.360 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000192557552 497148979 /nfs/dbraw/zinc/14/89/79/497148979.db2.gz UYSBHZRANQLYPD-FQEVSTJZSA-N 1 2 361.445 3.360 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2nccn2C)c1 ZINC000249037926 497152106 /nfs/dbraw/zinc/15/21/06/497152106.db2.gz TXYFBONGJPXJLD-ALKREAHSSA-N 1 2 354.454 3.199 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(F)cc3C#N)CC2)s1 ZINC000189530922 497153050 /nfs/dbraw/zinc/15/30/50/497153050.db2.gz NVXYFDNLBRWYDT-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO Cc1cc(N2CCN(c3nc(Cl)c(C#N)s3)CC2)nc(C(C)C)[nH+]1 ZINC000278694370 497191890 /nfs/dbraw/zinc/19/18/90/497191890.db2.gz MFBYZTAFLVUCPS-UHFFFAOYSA-N 1 2 362.890 3.217 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249717891 497235990 /nfs/dbraw/zinc/23/59/90/497235990.db2.gz KBRWFUCXSKVIDC-ZBFHGGJFSA-N 1 2 356.495 3.441 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000249717891 497235992 /nfs/dbraw/zinc/23/59/92/497235992.db2.gz KBRWFUCXSKVIDC-ZBFHGGJFSA-N 1 2 356.495 3.441 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000275226837 497259935 /nfs/dbraw/zinc/25/99/35/497259935.db2.gz CPMFPWFLQYQUCM-FUHWJXTLSA-N 1 2 367.453 3.263 20 30 FGEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)N1CCCCC1 ZINC000271137918 497271197 /nfs/dbraw/zinc/27/11/97/497271197.db2.gz SQBGZUUBBBJJBX-KRWDZBQOSA-N 1 2 373.497 3.068 20 30 FGEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)N1CCCCC1 ZINC000271137918 497271199 /nfs/dbraw/zinc/27/11/99/497271199.db2.gz SQBGZUUBBBJJBX-KRWDZBQOSA-N 1 2 373.497 3.068 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271200302 497288429 /nfs/dbraw/zinc/28/84/29/497288429.db2.gz PIZJAMLHOHXIKP-UHFFFAOYSA-N 1 2 357.475 3.124 20 30 FGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271200302 497288433 /nfs/dbraw/zinc/28/84/33/497288433.db2.gz PIZJAMLHOHXIKP-UHFFFAOYSA-N 1 2 357.475 3.124 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000193224785 497326752 /nfs/dbraw/zinc/32/67/52/497326752.db2.gz UDOVCAYGTJWGHK-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000193224785 497326753 /nfs/dbraw/zinc/32/67/53/497326753.db2.gz UDOVCAYGTJWGHK-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000581057652 505900688 /nfs/dbraw/zinc/90/06/88/505900688.db2.gz ASXPCRZEJINGDT-UHFFFAOYSA-N 1 2 367.474 3.122 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000275516447 497349865 /nfs/dbraw/zinc/34/98/65/497349865.db2.gz BWWVPOCZBHPOLI-QGZVFWFLSA-N 1 2 366.490 3.141 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000275516447 497349870 /nfs/dbraw/zinc/34/98/70/497349870.db2.gz BWWVPOCZBHPOLI-QGZVFWFLSA-N 1 2 366.490 3.141 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1(C#N)CCCC1)CC2 ZINC000275558437 497363973 /nfs/dbraw/zinc/36/39/73/497363973.db2.gz FNLQYAOJBOPYCU-HNNXBMFYSA-N 1 2 358.511 3.040 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1(C#N)CCCC1)CC2 ZINC000275558437 497363976 /nfs/dbraw/zinc/36/39/76/497363976.db2.gz FNLQYAOJBOPYCU-HNNXBMFYSA-N 1 2 358.511 3.040 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)nc1 ZINC000193853056 497501199 /nfs/dbraw/zinc/50/11/99/497501199.db2.gz VWYPGVLXUIXCAU-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245710452 497512134 /nfs/dbraw/zinc/51/21/34/497512134.db2.gz FDSBGOMITPCYJL-ROUUACIJSA-N 1 2 365.905 3.319 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245710452 497512139 /nfs/dbraw/zinc/51/21/39/497512139.db2.gz FDSBGOMITPCYJL-ROUUACIJSA-N 1 2 365.905 3.319 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279706003 497515661 /nfs/dbraw/zinc/51/56/61/497515661.db2.gz HMGSASNSKNZIAV-XNJGSVPQSA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279706003 497515667 /nfs/dbraw/zinc/51/56/67/497515667.db2.gz HMGSASNSKNZIAV-XNJGSVPQSA-N 1 2 365.271 3.089 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000279729522 497523701 /nfs/dbraw/zinc/52/37/01/497523701.db2.gz NCRINVQKMQUFKA-QGZVFWFLSA-N 1 2 352.482 3.489 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000279729522 497523706 /nfs/dbraw/zinc/52/37/06/497523706.db2.gz NCRINVQKMQUFKA-QGZVFWFLSA-N 1 2 352.482 3.489 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000267696731 497602431 /nfs/dbraw/zinc/60/24/31/497602431.db2.gz ZAHHHEFPXNMZTL-CQSZACIVSA-N 1 2 353.401 3.003 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246257983 497675489 /nfs/dbraw/zinc/67/54/89/497675489.db2.gz GZQDVZHWRBKLGQ-IAGOWNOFSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246257983 497675495 /nfs/dbraw/zinc/67/54/95/497675495.db2.gz GZQDVZHWRBKLGQ-IAGOWNOFSA-N 1 2 364.852 3.169 20 30 FGEDLO C=CCc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc(OC)c1OC ZINC000272689900 497702634 /nfs/dbraw/zinc/70/26/34/497702634.db2.gz UFOOLSHQIXTXCC-QGZVFWFLSA-N 1 2 373.453 3.264 20 30 FGEDLO C=CCc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc(OC)c1OC ZINC000272689900 497702639 /nfs/dbraw/zinc/70/26/39/497702639.db2.gz UFOOLSHQIXTXCC-QGZVFWFLSA-N 1 2 373.453 3.264 20 30 FGEDLO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191263183 497761093 /nfs/dbraw/zinc/76/10/93/497761093.db2.gz JGHSVZUXZMPWNG-PBWFPOADSA-N 1 2 361.511 3.061 20 30 FGEDLO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191263183 497761098 /nfs/dbraw/zinc/76/10/98/497761098.db2.gz JGHSVZUXZMPWNG-PBWFPOADSA-N 1 2 361.511 3.061 20 30 FGEDLO CN(C)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)[nH+]cc1Br ZINC000333975130 497835497 /nfs/dbraw/zinc/83/54/97/497835497.db2.gz YDWNSXJBZSTQQI-INIZCTEOSA-N 1 2 363.259 3.323 20 30 FGEDLO NC(=[NH+]OCc1ncc(-c2ccc(Br)cc2)o1)[C@@H]1CCCO1 ZINC000284589314 497838261 /nfs/dbraw/zinc/83/82/61/497838261.db2.gz XUYYCIYIPDYIMH-LBPRGKRZSA-N 1 2 366.215 3.072 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000329611793 497846059 /nfs/dbraw/zinc/84/60/59/497846059.db2.gz JWKOUUILYNZXCH-OTWHNJEPSA-N 1 2 368.481 3.493 20 30 FGEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329619506 497847602 /nfs/dbraw/zinc/84/76/02/497847602.db2.gz FGMITCJHTQQIPC-AWEZNQCLSA-N 1 2 373.453 3.452 20 30 FGEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329619506 497847605 /nfs/dbraw/zinc/84/76/05/497847605.db2.gz FGMITCJHTQQIPC-AWEZNQCLSA-N 1 2 373.453 3.452 20 30 FGEDLO Cc1oc(C#N)cc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000280663026 497848189 /nfs/dbraw/zinc/84/81/89/497848189.db2.gz XSNXPQZSZSKJRL-QGZVFWFLSA-N 1 2 350.378 3.083 20 30 FGEDLO Cc1oc(C#N)cc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000280663026 497848195 /nfs/dbraw/zinc/84/81/95/497848195.db2.gz XSNXPQZSZSKJRL-QGZVFWFLSA-N 1 2 350.378 3.083 20 30 FGEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)s1 ZINC000329688456 497870302 /nfs/dbraw/zinc/87/03/02/497870302.db2.gz VLAWMUGJYFRFGB-LBPRGKRZSA-N 1 2 351.520 3.208 20 30 FGEDLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000329737472 497884093 /nfs/dbraw/zinc/88/40/93/497884093.db2.gz MCOPJMHFGNPMPZ-GOSISDBHSA-N 1 2 350.422 3.159 20 30 FGEDLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000329737472 497884102 /nfs/dbraw/zinc/88/41/02/497884102.db2.gz MCOPJMHFGNPMPZ-GOSISDBHSA-N 1 2 350.422 3.159 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329784157 497899811 /nfs/dbraw/zinc/89/98/11/497899811.db2.gz PBDMYYIWAAJSMD-AESZEHBQSA-N 1 2 351.491 3.325 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329784157 497899816 /nfs/dbraw/zinc/89/98/16/497899816.db2.gz PBDMYYIWAAJSMD-AESZEHBQSA-N 1 2 351.491 3.325 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292156337 497904117 /nfs/dbraw/zinc/90/41/17/497904117.db2.gz KPVMIMDYNXMRIX-ZFWWWQNUSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292156337 497904122 /nfs/dbraw/zinc/90/41/22/497904122.db2.gz KPVMIMDYNXMRIX-ZFWWWQNUSA-N 1 2 370.840 3.087 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280810676 497907447 /nfs/dbraw/zinc/90/74/47/497907447.db2.gz LZVWLCGKWILTBM-YWZLYKJASA-N 1 2 372.490 3.139 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)CCCC#N ZINC000292240578 497936237 /nfs/dbraw/zinc/93/62/37/497936237.db2.gz JKPJCKMDEAHLDW-UHFFFAOYSA-N 1 2 354.454 3.395 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCCC1 ZINC000329893411 497942033 /nfs/dbraw/zinc/94/20/33/497942033.db2.gz APGOEQNVJYZEBN-HOTGVXAUSA-N 1 2 366.481 3.288 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCCC1 ZINC000329893411 497942036 /nfs/dbraw/zinc/94/20/36/497942036.db2.gz APGOEQNVJYZEBN-HOTGVXAUSA-N 1 2 366.481 3.288 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000329894259 497942688 /nfs/dbraw/zinc/94/26/88/497942688.db2.gz JWQWOKGPXMJQGT-ICSRJNTNSA-N 1 2 368.481 3.452 20 30 FGEDLO CC[C@H](NC(=O)C1CCC(=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329937170 497961000 /nfs/dbraw/zinc/96/10/00/497961000.db2.gz LIZFINBLJUANIR-PMACEKPBSA-N 1 2 358.482 3.382 20 30 FGEDLO CC[C@H](NC(=O)C1CCC(=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329937170 497961008 /nfs/dbraw/zinc/96/10/08/497961008.db2.gz LIZFINBLJUANIR-PMACEKPBSA-N 1 2 358.482 3.382 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2(C)CCCC2)on1 ZINC000329965171 497972638 /nfs/dbraw/zinc/97/26/38/497972638.db2.gz UYEBKAITMQRHFT-HOTGVXAUSA-N 1 2 366.481 3.322 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2(C)CCCC2)on1 ZINC000329965171 497972645 /nfs/dbraw/zinc/97/26/45/497972645.db2.gz UYEBKAITMQRHFT-HOTGVXAUSA-N 1 2 366.481 3.322 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329976411 497977863 /nfs/dbraw/zinc/97/78/63/497977863.db2.gz YRFXCMWWHQYZMR-GOSISDBHSA-N 1 2 369.513 3.289 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1F ZINC000301177476 497985179 /nfs/dbraw/zinc/98/51/79/497985179.db2.gz ZLFVWSOKXMPRKL-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000575320346 505960655 /nfs/dbraw/zinc/96/06/55/505960655.db2.gz RKJRLYYQPFZUCJ-UHFFFAOYSA-N 1 2 357.907 3.139 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000575320346 505960659 /nfs/dbraw/zinc/96/06/59/505960659.db2.gz RKJRLYYQPFZUCJ-UHFFFAOYSA-N 1 2 357.907 3.139 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000578525951 505960657 /nfs/dbraw/zinc/96/06/57/505960657.db2.gz STIOSIMQJSSWAH-UHFFFAOYSA-N 1 2 355.417 3.237 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000581341983 505965363 /nfs/dbraw/zinc/96/53/63/505965363.db2.gz SAKJBHHAUZAAGN-UHFFFAOYSA-N 1 2 352.278 3.466 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C4CC4)C3)n2)C1 ZINC000330133017 498034668 /nfs/dbraw/zinc/03/46/68/498034668.db2.gz LTNOTZCJQGSHKZ-XJKSGUPXSA-N 1 2 364.515 3.031 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C4CC4)C3)n2)C1 ZINC000330133017 498034674 /nfs/dbraw/zinc/03/46/74/498034674.db2.gz LTNOTZCJQGSHKZ-XJKSGUPXSA-N 1 2 364.515 3.031 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1[nH+]ccn1CC ZINC000296423465 498037999 /nfs/dbraw/zinc/03/79/99/498037999.db2.gz FNDOCDJLJPKWCX-UHFFFAOYSA-N 1 2 354.454 3.010 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000330209972 498061949 /nfs/dbraw/zinc/06/19/49/498061949.db2.gz IAAIPCMSXPNWLG-QGZVFWFLSA-N 1 2 354.454 3.368 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CC2 ZINC000364687443 498089753 /nfs/dbraw/zinc/08/97/53/498089753.db2.gz UHCPBWDVXNOXPM-UHFFFAOYSA-N 1 2 372.428 3.298 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000330279223 498090599 /nfs/dbraw/zinc/09/05/99/498090599.db2.gz QRPDUOHQPTXRGA-MRXNPFEDSA-N 1 2 364.515 3.234 20 30 FGEDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCc2nncn2C1 ZINC000330307234 498098501 /nfs/dbraw/zinc/09/85/01/498098501.db2.gz SAHLZGABWWYJER-CYBMUJFWSA-N 1 2 350.426 3.205 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000330301784 498098572 /nfs/dbraw/zinc/09/85/72/498098572.db2.gz NZJPMJYJCLOSLE-GJZGRUSLSA-N 1 2 367.457 3.148 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)cc1 ZINC000292669610 498103561 /nfs/dbraw/zinc/10/35/61/498103561.db2.gz ZIQJVKKRWHGIKY-UHFFFAOYSA-N 1 2 373.460 3.241 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330341610 498111936 /nfs/dbraw/zinc/11/19/36/498111936.db2.gz ZLWSZUXTLBANIB-ZIAGYGMSSA-N 1 2 373.423 3.123 20 30 FGEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)C1=O ZINC000281493947 498170286 /nfs/dbraw/zinc/17/02/86/498170286.db2.gz XQFHDESHXHRCDW-QUCCMNQESA-N 1 2 360.461 3.039 20 30 FGEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330729889 498182769 /nfs/dbraw/zinc/18/27/69/498182769.db2.gz HTERHHFTCKKHNC-HNNXBMFYSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330729889 498182776 /nfs/dbraw/zinc/18/27/76/498182776.db2.gz HTERHHFTCKKHNC-HNNXBMFYSA-N 1 2 364.287 3.057 20 30 FGEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000296814936 498207976 /nfs/dbraw/zinc/20/79/76/498207976.db2.gz LYMKOAPDOCMDRW-FUHWJXTLSA-N 1 2 353.422 3.065 20 30 FGEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000296814936 498207979 /nfs/dbraw/zinc/20/79/79/498207979.db2.gz LYMKOAPDOCMDRW-FUHWJXTLSA-N 1 2 353.422 3.065 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292967841 498214767 /nfs/dbraw/zinc/21/47/67/498214767.db2.gz KULSEBKDZOTOQT-OAHLLOKOSA-N 1 2 353.875 3.049 20 30 FGEDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1OCCCC#N ZINC000289681482 498246711 /nfs/dbraw/zinc/24/67/11/498246711.db2.gz NXLWKQPIAACXGN-HNNXBMFYSA-N 1 2 354.397 3.234 20 30 FGEDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1OCCCC#N ZINC000289681482 498246714 /nfs/dbraw/zinc/24/67/14/498246714.db2.gz NXLWKQPIAACXGN-HNNXBMFYSA-N 1 2 354.397 3.234 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3sccc3C#N)CC2)cc1 ZINC000360163134 498252111 /nfs/dbraw/zinc/25/21/11/498252111.db2.gz BZXHRFUESIOZRT-UHFFFAOYSA-N 1 2 355.463 3.369 20 30 FGEDLO C=CCOc1ccc(CC(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000296976358 498273921 /nfs/dbraw/zinc/27/39/21/498273921.db2.gz YYWDYGUFDAMAJF-UHFFFAOYSA-N 1 2 355.482 3.492 20 30 FGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000578787319 506020145 /nfs/dbraw/zinc/02/01/45/506020145.db2.gz KZPSDIOEZCIMFR-RYUDHWBXSA-N 1 2 359.417 3.482 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3C(C)=O)CC2)cc1F ZINC000302070782 498396188 /nfs/dbraw/zinc/39/61/88/498396188.db2.gz YJMKKYZNQXTLNF-UHFFFAOYSA-N 1 2 367.424 3.231 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000302231458 498452719 /nfs/dbraw/zinc/45/27/19/498452719.db2.gz YQPBURALJDPBCK-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C=C(C)[C@H](CC(=O)N(CC)[C@@H](c1[nH+]ccn1C)c1cccnc1)OCC ZINC000362180980 498473033 /nfs/dbraw/zinc/47/30/33/498473033.db2.gz SVIPPMRZDKEGKP-PKOBYXMFSA-N 1 2 356.470 3.124 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CCC(C#N)CC3)cn2c1 ZINC000282390034 498492263 /nfs/dbraw/zinc/49/22/63/498492263.db2.gz RCSWDLHUCODIGF-UHFFFAOYSA-N 1 2 356.495 3.322 20 30 FGEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000282447476 498516453 /nfs/dbraw/zinc/51/64/53/498516453.db2.gz ZZRZLKTYRROWCF-LSDHHAIUSA-N 1 2 360.531 3.317 20 30 FGEDLO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063110 498547356 /nfs/dbraw/zinc/54/73/56/498547356.db2.gz ZEYPQFDCXPZMME-PBHICJAKSA-N 1 2 360.889 3.099 20 30 FGEDLO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063110 498547361 /nfs/dbraw/zinc/54/73/61/498547361.db2.gz ZEYPQFDCXPZMME-PBHICJAKSA-N 1 2 360.889 3.099 20 30 FGEDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000332285891 498632713 /nfs/dbraw/zinc/63/27/13/498632713.db2.gz XEWNALWAGVYKCA-UHFFFAOYSA-N 1 2 352.482 3.280 20 30 FGEDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000332285891 498632719 /nfs/dbraw/zinc/63/27/19/498632719.db2.gz XEWNALWAGVYKCA-UHFFFAOYSA-N 1 2 352.482 3.280 20 30 FGEDLO Cc1cc(N2CCN(Cc3cccc(C#N)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000332372101 498666530 /nfs/dbraw/zinc/66/65/30/498666530.db2.gz MGMRVKJBMWIOTR-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C=CC[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000303344681 498667621 /nfs/dbraw/zinc/66/76/21/498667621.db2.gz MHPHWIJSEZIXAK-GOSISDBHSA-N 1 2 365.539 3.428 20 30 FGEDLO C=CC[N@H+](CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000303344681 498667629 /nfs/dbraw/zinc/66/76/29/498667629.db2.gz MHPHWIJSEZIXAK-GOSISDBHSA-N 1 2 365.539 3.428 20 30 FGEDLO Cc1nnc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000332508159 498707311 /nfs/dbraw/zinc/70/73/11/498707311.db2.gz LFTJSQQUNJSPNG-LBPRGKRZSA-N 1 2 355.467 3.130 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000332529200 498715267 /nfs/dbraw/zinc/71/52/67/498715267.db2.gz FBVWBQSZCJEBPI-UHFFFAOYSA-N 1 2 363.465 3.228 20 30 FGEDLO C[C@@]12CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C[C@@H]1C2(F)F ZINC000298319210 498730651 /nfs/dbraw/zinc/73/06/51/498730651.db2.gz QQSLMXQMHUMERZ-GOEBONIOSA-N 1 2 351.422 3.218 20 30 FGEDLO C[C@@]12CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C[C@@H]1C2(F)F ZINC000298319210 498730656 /nfs/dbraw/zinc/73/06/56/498730656.db2.gz QQSLMXQMHUMERZ-GOEBONIOSA-N 1 2 351.422 3.218 20 30 FGEDLO C=CCOc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000294604834 498744582 /nfs/dbraw/zinc/74/45/82/498744582.db2.gz WQHPOAWKOZSKAR-UHFFFAOYSA-N 1 2 366.461 3.265 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000363285197 498745783 /nfs/dbraw/zinc/74/57/83/498745783.db2.gz FLGGXHLQVUUUOP-INIZCTEOSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000363285197 498745788 /nfs/dbraw/zinc/74/57/88/498745788.db2.gz FLGGXHLQVUUUOP-INIZCTEOSA-N 1 2 357.504 3.026 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298442712 498772972 /nfs/dbraw/zinc/77/29/72/498772972.db2.gz DJCGZFITZMQLEE-AWEZNQCLSA-N 1 2 364.474 3.477 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298442712 498772977 /nfs/dbraw/zinc/77/29/77/498772977.db2.gz DJCGZFITZMQLEE-AWEZNQCLSA-N 1 2 364.474 3.477 20 30 FGEDLO C=CCOc1ccccc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363382849 498791701 /nfs/dbraw/zinc/79/17/01/498791701.db2.gz CUVUKPBOXKHPNQ-UHFFFAOYSA-N 1 2 357.479 3.102 20 30 FGEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720962 498860555 /nfs/dbraw/zinc/86/05/55/498860555.db2.gz KCCPNRNBTZZLKU-HKUYNNGSSA-N 1 2 372.428 3.349 20 30 FGEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720962 498860561 /nfs/dbraw/zinc/86/05/61/498860561.db2.gz KCCPNRNBTZZLKU-HKUYNNGSSA-N 1 2 372.428 3.349 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(C#N)o2)c1 ZINC000295025779 498885231 /nfs/dbraw/zinc/88/52/31/498885231.db2.gz NOBJBQQKRMSYLN-INIZCTEOSA-N 1 2 365.227 3.088 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000295025779 498885241 /nfs/dbraw/zinc/88/52/41/498885241.db2.gz NOBJBQQKRMSYLN-INIZCTEOSA-N 1 2 365.227 3.088 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCN1c3ccccc3C[C@H]1C)CCC2 ZINC000328659285 498892490 /nfs/dbraw/zinc/89/24/90/498892490.db2.gz SLPGGTVRKRPDGV-AEFFLSMTSA-N 1 2 367.497 3.024 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000366377587 498899871 /nfs/dbraw/zinc/89/98/71/498899871.db2.gz JLDIBJDSQDIUBX-PKOBYXMFSA-N 1 2 350.466 3.289 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCC(=O)NC13CCC3)C2 ZINC000328749892 498925544 /nfs/dbraw/zinc/92/55/44/498925544.db2.gz QJDXNUHPVIOLEE-KBPBESRZSA-N 1 2 373.501 3.041 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCC(=O)NC13CCC3)C2 ZINC000328749892 498925551 /nfs/dbraw/zinc/92/55/51/498925551.db2.gz QJDXNUHPVIOLEE-KBPBESRZSA-N 1 2 373.501 3.041 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000328772098 498932914 /nfs/dbraw/zinc/93/29/14/498932914.db2.gz JNORDTMQYDSPGR-ROUUACIJSA-N 1 2 359.470 3.163 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)c1cccc(Nc3ccc(C#N)cc3)c1)CC2 ZINC000363672321 498936400 /nfs/dbraw/zinc/93/64/00/498936400.db2.gz MTMQNBJEMRNYID-UHFFFAOYSA-N 1 2 357.417 3.463 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@H]3c3ccccc3)C2=O)cc1 ZINC000333279182 498964579 /nfs/dbraw/zinc/96/45/79/498964579.db2.gz JFFGLKUBCVURLH-RTWAWAEBSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@H]3c3ccccc3)C2=O)cc1 ZINC000333279182 498964585 /nfs/dbraw/zinc/96/45/85/498964585.db2.gz JFFGLKUBCVURLH-RTWAWAEBSA-N 1 2 361.445 3.127 20 30 FGEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328865129 498965303 /nfs/dbraw/zinc/96/53/03/498965303.db2.gz NDYQYYQVIOCJND-GDBMZVCRSA-N 1 2 364.511 3.134 20 30 FGEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328865129 498965312 /nfs/dbraw/zinc/96/53/12/498965312.db2.gz NDYQYYQVIOCJND-GDBMZVCRSA-N 1 2 364.511 3.134 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000333285980 498965883 /nfs/dbraw/zinc/96/58/83/498965883.db2.gz JZFXLOADSBQQTP-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000333285980 498965892 /nfs/dbraw/zinc/96/58/92/498965892.db2.gz JZFXLOADSBQQTP-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366595743 498994765 /nfs/dbraw/zinc/99/47/65/498994765.db2.gz HZIHXUSEVQWNSR-GOEBONIOSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366595743 498994769 /nfs/dbraw/zinc/99/47/69/498994769.db2.gz HZIHXUSEVQWNSR-GOEBONIOSA-N 1 2 374.510 3.066 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945560 498994775 /nfs/dbraw/zinc/99/47/75/498994775.db2.gz GIWUKJKIMAPFSM-GVDBMIGSSA-N 1 2 354.397 3.069 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945560 498994778 /nfs/dbraw/zinc/99/47/78/498994778.db2.gz GIWUKJKIMAPFSM-GVDBMIGSSA-N 1 2 354.397 3.069 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000328954350 498997819 /nfs/dbraw/zinc/99/78/19/498997819.db2.gz IMYVBZDXAKYPES-RUMSHHPPSA-N 1 2 372.513 3.216 20 30 FGEDLO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000295395834 499004444 /nfs/dbraw/zinc/00/44/44/499004444.db2.gz YVTGDQTZOFUZIC-GOSISDBHSA-N 1 2 363.461 3.003 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@@H]2C=CCCC2)CCC(=O)N1C1CC1 ZINC000328998963 499011540 /nfs/dbraw/zinc/01/15/40/499011540.db2.gz GFLZIFOFRJUHPM-AKCHCHLHSA-N 1 2 356.470 3.318 20 30 FGEDLO O=C(N[C@@H]1CCOc2c(Cl)cccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329076731 499034217 /nfs/dbraw/zinc/03/42/17/499034217.db2.gz AYTFZVMMEGSQGI-OAHLLOKOSA-N 1 2 350.846 3.375 20 30 FGEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C1(N2CCOCC2)CCC1 ZINC000329083615 499036811 /nfs/dbraw/zinc/03/68/11/499036811.db2.gz FIZZZSGMOJOCSX-UHFFFAOYSA-N 1 2 372.513 3.173 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNC(=O)CCCC#N)c2ccc(Cl)cc2)CCO1 ZINC000291745161 499054631 /nfs/dbraw/zinc/05/46/31/499054631.db2.gz SCTHJHOGOHTUQQ-KRWDZBQOSA-N 1 2 363.889 3.302 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNC(=O)CCCC#N)c2ccc(Cl)cc2)CCO1 ZINC000291745161 499054637 /nfs/dbraw/zinc/05/46/37/499054637.db2.gz SCTHJHOGOHTUQQ-KRWDZBQOSA-N 1 2 363.889 3.302 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC000329149928 499056446 /nfs/dbraw/zinc/05/64/46/499056446.db2.gz RBSDCSCAVMDOAI-OAHLLOKOSA-N 1 2 366.465 3.108 20 30 FGEDLO Cc1noc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1 ZINC000329252504 499084000 /nfs/dbraw/zinc/08/40/00/499084000.db2.gz BXSPLCBGMZJHSE-CQSZACIVSA-N 1 2 358.446 3.259 20 30 FGEDLO Cc1noc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1 ZINC000329252504 499084004 /nfs/dbraw/zinc/08/40/04/499084004.db2.gz BXSPLCBGMZJHSE-CQSZACIVSA-N 1 2 358.446 3.259 20 30 FGEDLO CC(C)[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000329260229 499085646 /nfs/dbraw/zinc/08/56/46/499085646.db2.gz YXAWLJKLMAOOHY-GDBMZVCRSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000329260229 499085649 /nfs/dbraw/zinc/08/56/49/499085649.db2.gz YXAWLJKLMAOOHY-GDBMZVCRSA-N 1 2 366.531 3.277 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366838882 499090474 /nfs/dbraw/zinc/09/04/74/499090474.db2.gz LPULUGOZTASKAZ-LYRGGWFBSA-N 1 2 352.841 3.025 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366838882 499090479 /nfs/dbraw/zinc/09/04/79/499090479.db2.gz LPULUGOZTASKAZ-LYRGGWFBSA-N 1 2 352.841 3.025 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886729 499105940 /nfs/dbraw/zinc/10/59/40/499105940.db2.gz RRCMKOXXWVQNPD-WBVHZDCISA-N 1 2 354.454 3.133 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886729 499105945 /nfs/dbraw/zinc/10/59/45/499105945.db2.gz RRCMKOXXWVQNPD-WBVHZDCISA-N 1 2 354.454 3.133 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000329464304 499125431 /nfs/dbraw/zinc/12/54/31/499125431.db2.gz UVWDXHKWHRGZEA-DOTOQJQBSA-N 1 2 374.529 3.095 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000329464304 499125432 /nfs/dbraw/zinc/12/54/32/499125432.db2.gz UVWDXHKWHRGZEA-DOTOQJQBSA-N 1 2 374.529 3.095 20 30 FGEDLO NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329483184 499127551 /nfs/dbraw/zinc/12/75/51/499127551.db2.gz RUQLVWCJJANGGC-HNNXBMFYSA-N 1 2 367.453 3.485 20 30 FGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367346172 499185572 /nfs/dbraw/zinc/18/55/72/499185572.db2.gz HHHYKUPWILJWPZ-KRWDZBQOSA-N 1 2 362.437 3.031 20 30 FGEDLO COc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)cc1C#N ZINC000367370055 499189478 /nfs/dbraw/zinc/18/94/78/499189478.db2.gz AEJXBWAMNUDUJM-FQEVSTJZSA-N 1 2 350.397 3.319 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367816691 499235574 /nfs/dbraw/zinc/23/55/74/499235574.db2.gz UQLLZOXBKKQJGV-CXAGYDPISA-N 1 2 374.847 3.476 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)OCC ZINC000371062713 499285176 /nfs/dbraw/zinc/28/51/76/499285176.db2.gz LHECHVTVRZYXBB-PKOBYXMFSA-N 1 2 357.454 3.006 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000368607137 499313135 /nfs/dbraw/zinc/31/31/35/499313135.db2.gz YBQXSQTVLJYJQQ-CRAIPNDOSA-N 1 2 367.428 3.001 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2)C1 ZINC000369448717 499404428 /nfs/dbraw/zinc/40/44/28/499404428.db2.gz VOOLFSVNRBFIDM-OAHLLOKOSA-N 1 2 355.463 3.349 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2)C1 ZINC000369448717 499404430 /nfs/dbraw/zinc/40/44/30/499404430.db2.gz VOOLFSVNRBFIDM-OAHLLOKOSA-N 1 2 355.463 3.349 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000373451880 499470575 /nfs/dbraw/zinc/47/05/75/499470575.db2.gz HVRDYEQHYQVAJN-UHFFFAOYSA-N 1 2 354.841 3.457 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378240460 499493332 /nfs/dbraw/zinc/49/33/32/499493332.db2.gz APVGROPKXCKZKL-SFHVURJKSA-N 1 2 368.481 3.475 20 30 FGEDLO C=C(C)[C@H](CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1)OCC ZINC000378286745 499498272 /nfs/dbraw/zinc/49/82/72/499498272.db2.gz WCLQRRTWTHPNRN-FQEVSTJZSA-N 1 2 360.498 3.494 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000375258205 499499973 /nfs/dbraw/zinc/49/99/73/499499973.db2.gz LCXMLTLWSSDWQK-HXUWFJFHSA-N 1 2 368.481 3.293 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000375258205 499499975 /nfs/dbraw/zinc/49/99/75/499499975.db2.gz LCXMLTLWSSDWQK-HXUWFJFHSA-N 1 2 368.481 3.293 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000378533249 499529235 /nfs/dbraw/zinc/52/92/35/499529235.db2.gz AEPSZBVCIQVTJV-LJQANCHMSA-N 1 2 366.465 3.432 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000378533249 499529237 /nfs/dbraw/zinc/52/92/37/499529237.db2.gz AEPSZBVCIQVTJV-LJQANCHMSA-N 1 2 366.465 3.432 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378547989 499530400 /nfs/dbraw/zinc/53/04/00/499530400.db2.gz HQUFXGYAACFOPL-HZPDHXFCSA-N 1 2 365.437 3.163 20 30 FGEDLO N#Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1C(F)(F)F ZINC000375656382 499541959 /nfs/dbraw/zinc/54/19/59/499541959.db2.gz HOFMKUAMPORMFZ-OAHLLOKOSA-N 1 2 350.344 3.250 20 30 FGEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000375975579 499573325 /nfs/dbraw/zinc/57/33/25/499573325.db2.gz RPOAQRBUROKIRY-OAHLLOKOSA-N 1 2 351.372 3.436 20 30 FGEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000377295308 499677605 /nfs/dbraw/zinc/67/76/05/499677605.db2.gz YSAINJDZXHHVSX-INIZCTEOSA-N 1 2 357.502 3.413 20 30 FGEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000377295308 499677606 /nfs/dbraw/zinc/67/76/06/499677606.db2.gz YSAINJDZXHHVSX-INIZCTEOSA-N 1 2 357.502 3.413 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377316737 499679343 /nfs/dbraw/zinc/67/93/43/499679343.db2.gz LKGYWFADXCKKBD-MOPGFXCFSA-N 1 2 363.465 3.129 20 30 FGEDLO Cc1ccc(Cc2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c[nH+]1 ZINC000377507979 499698541 /nfs/dbraw/zinc/69/85/41/499698541.db2.gz JFCWOPFVAQAQHJ-INIZCTEOSA-N 1 2 363.396 3.369 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411138501 499702067 /nfs/dbraw/zinc/70/20/67/499702067.db2.gz RMNFWYHSUWFJAL-AWEZNQCLSA-N 1 2 364.902 3.319 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000411138501 499702069 /nfs/dbraw/zinc/70/20/69/499702069.db2.gz RMNFWYHSUWFJAL-AWEZNQCLSA-N 1 2 364.902 3.319 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377552657 499703885 /nfs/dbraw/zinc/70/38/85/499703885.db2.gz IXTVITIPFWVPRT-IRLDBZIGSA-N 1 2 364.445 3.146 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377552657 499703887 /nfs/dbraw/zinc/70/38/87/499703887.db2.gz IXTVITIPFWVPRT-IRLDBZIGSA-N 1 2 364.445 3.146 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191954 499708986 /nfs/dbraw/zinc/70/89/86/499708986.db2.gz KXCZFLWPFNAHGU-INIZCTEOSA-N 1 2 370.453 3.314 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191954 499708987 /nfs/dbraw/zinc/70/89/87/499708987.db2.gz KXCZFLWPFNAHGU-INIZCTEOSA-N 1 2 370.453 3.314 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000377828144 499739807 /nfs/dbraw/zinc/73/98/07/499739807.db2.gz DLYXLCCJHILVBI-VQIMIIECSA-N 1 2 368.481 3.019 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c2[nH+]ccn21 ZINC000573300137 506165762 /nfs/dbraw/zinc/16/57/62/506165762.db2.gz NUOULCOFKAQBQT-WMLDXEAASA-N 1 2 360.421 3.096 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000425543353 500139583 /nfs/dbraw/zinc/13/95/83/500139583.db2.gz ZIDUSGLMIWXSIC-LBPRGKRZSA-N 1 2 357.483 3.339 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000425543353 500139584 /nfs/dbraw/zinc/13/95/84/500139584.db2.gz ZIDUSGLMIWXSIC-LBPRGKRZSA-N 1 2 357.483 3.339 20 30 FGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000429822800 500151456 /nfs/dbraw/zinc/15/14/56/500151456.db2.gz CXXDCDBFWMSXEP-UHFFFAOYSA-N 1 2 350.890 3.465 20 30 FGEDLO CC(C)c1ccccc1-n1ccnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414099608 500153640 /nfs/dbraw/zinc/15/36/40/500153640.db2.gz QMBCVEVLFYSQGM-INIZCTEOSA-N 1 2 358.511 3.294 20 30 FGEDLO CC(C)c1ccccc1-n1ccnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414099608 500153644 /nfs/dbraw/zinc/15/36/44/500153644.db2.gz QMBCVEVLFYSQGM-INIZCTEOSA-N 1 2 358.511 3.294 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426012261 500225403 /nfs/dbraw/zinc/22/54/03/500225403.db2.gz CLJVGBGXUKAFGG-FGZHOGPDSA-N 1 2 370.456 3.463 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000428000045 500456675 /nfs/dbraw/zinc/45/66/75/500456675.db2.gz HKSJNSPEQYCVDQ-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)nn1 ZINC000424175833 500463945 /nfs/dbraw/zinc/46/39/45/500463945.db2.gz VNYLCARUOBRFRJ-UHFFFAOYSA-N 1 2 362.481 3.292 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000428386920 500503711 /nfs/dbraw/zinc/50/37/11/500503711.db2.gz JMRQFLGOJHGTCN-UHFFFAOYSA-N 1 2 352.413 3.483 20 30 FGEDLO C[C@H](Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573479999 506201261 /nfs/dbraw/zinc/20/12/61/506201261.db2.gz CIRBPJQHWARAMO-LAUBAEHRSA-N 1 2 352.482 3.478 20 30 FGEDLO C[C@H](Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573479999 506201264 /nfs/dbraw/zinc/20/12/64/506201264.db2.gz CIRBPJQHWARAMO-LAUBAEHRSA-N 1 2 352.482 3.478 20 30 FGEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)CC(C)(C)C#N ZINC000433316738 500670986 /nfs/dbraw/zinc/67/09/86/500670986.db2.gz BHEYFVBZUVEPPY-UHFFFAOYSA-N 1 2 350.466 3.265 20 30 FGEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)CC(C)(C)C#N ZINC000433316738 500670989 /nfs/dbraw/zinc/67/09/89/500670989.db2.gz BHEYFVBZUVEPPY-UHFFFAOYSA-N 1 2 350.466 3.265 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000443564925 500739203 /nfs/dbraw/zinc/73/92/03/500739203.db2.gz LJLPDPSAVAUQBL-UHFFFAOYSA-N 1 2 360.889 3.033 20 30 FGEDLO CC1(C#N)CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000443564925 500739208 /nfs/dbraw/zinc/73/92/08/500739208.db2.gz LJLPDPSAVAUQBL-UHFFFAOYSA-N 1 2 360.889 3.033 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580085 506221618 /nfs/dbraw/zinc/22/16/18/506221618.db2.gz QKYZYPFIFXPNID-CJNGLKHVSA-N 1 2 369.387 3.164 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580085 506221622 /nfs/dbraw/zinc/22/16/22/506221622.db2.gz QKYZYPFIFXPNID-CJNGLKHVSA-N 1 2 369.387 3.164 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1c(F)cccc1F ZINC000435023478 500923266 /nfs/dbraw/zinc/92/32/66/500923266.db2.gz KRJMRBNESVCGAZ-SFHVURJKSA-N 1 2 369.415 3.287 20 30 FGEDLO N#Cc1cnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000450338346 501094798 /nfs/dbraw/zinc/09/47/98/501094798.db2.gz XMTGQESCKQIAGA-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1cnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000450338346 501094803 /nfs/dbraw/zinc/09/48/03/501094803.db2.gz XMTGQESCKQIAGA-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450526240 501145568 /nfs/dbraw/zinc/14/55/68/501145568.db2.gz HJGFDZIRHNVZNX-UHFFFAOYSA-N 1 2 371.828 3.146 20 30 FGEDLO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000446917308 501181100 /nfs/dbraw/zinc/18/11/00/501181100.db2.gz XTWZQXIQYXYPRJ-UHFFFAOYSA-N 1 2 369.900 3.385 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451013669 501239004 /nfs/dbraw/zinc/23/90/04/501239004.db2.gz AWTAGMDSPXHKRX-IBGZPJMESA-N 1 2 366.440 3.346 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451013669 501239005 /nfs/dbraw/zinc/23/90/05/501239005.db2.gz AWTAGMDSPXHKRX-IBGZPJMESA-N 1 2 366.440 3.346 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451325928 501266007 /nfs/dbraw/zinc/26/60/07/501266007.db2.gz PCXACZFEGFWUFJ-LJQANCHMSA-N 1 2 371.868 3.252 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451325928 501266009 /nfs/dbraw/zinc/26/60/09/501266009.db2.gz PCXACZFEGFWUFJ-LJQANCHMSA-N 1 2 371.868 3.252 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000451369554 501276718 /nfs/dbraw/zinc/27/67/18/501276718.db2.gz BJKFRJMPFZACEM-HNNXBMFYSA-N 1 2 354.479 3.404 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451369554 501276719 /nfs/dbraw/zinc/27/67/19/501276719.db2.gz BJKFRJMPFZACEM-HNNXBMFYSA-N 1 2 354.479 3.404 20 30 FGEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668746 501282667 /nfs/dbraw/zinc/28/26/67/501282667.db2.gz MEZBVOLLQKNAKU-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668746 501282670 /nfs/dbraw/zinc/28/26/70/501282670.db2.gz MEZBVOLLQKNAKU-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CC3(CC#N)CC3)ccc2n1C1CC1 ZINC000451519724 501311483 /nfs/dbraw/zinc/31/14/83/501311483.db2.gz XQLUONYUKWWMAG-UHFFFAOYSA-N 1 2 372.494 3.047 20 30 FGEDLO C=CCC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCC1 ZINC000455478358 501313658 /nfs/dbraw/zinc/31/36/58/501313658.db2.gz NBIIHOVBGOOHQQ-UHFFFAOYSA-N 1 2 362.543 3.497 20 30 FGEDLO C=CCC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCC1 ZINC000455478358 501313659 /nfs/dbraw/zinc/31/36/59/501313659.db2.gz NBIIHOVBGOOHQQ-UHFFFAOYSA-N 1 2 362.543 3.497 20 30 FGEDLO N#Cc1ncc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1Cl ZINC000455753729 501379250 /nfs/dbraw/zinc/37/92/50/501379250.db2.gz KOPNWFYTHBGAGC-UHFFFAOYSA-N 1 2 370.844 3.314 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000453838480 501412072 /nfs/dbraw/zinc/41/20/72/501412072.db2.gz WABUJKRZYIMXAV-QGZVFWFLSA-N 1 2 366.465 3.087 20 30 FGEDLO N#CCc1cccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000455947463 501423339 /nfs/dbraw/zinc/42/33/39/501423339.db2.gz OBPGAPNBLNQFLP-QGZVFWFLSA-N 1 2 370.478 3.009 20 30 FGEDLO COc1cc(OC)cc([C@H](NC(=O)CCCCCC#N)c2[nH+]ccn2C)c1 ZINC000588273990 506255966 /nfs/dbraw/zinc/25/59/66/506255966.db2.gz LFKZZJDXKDFRRQ-IBGZPJMESA-N 1 2 370.453 3.117 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000452642993 501536753 /nfs/dbraw/zinc/53/67/53/501536753.db2.gz IJXJDUUBKWOAOI-LJQANCHMSA-N 1 2 369.852 3.246 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000452642993 501536756 /nfs/dbraw/zinc/53/67/56/501536756.db2.gz IJXJDUUBKWOAOI-LJQANCHMSA-N 1 2 369.852 3.246 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000596101102 506259130 /nfs/dbraw/zinc/25/91/30/506259130.db2.gz ASGMMWRNXWPFSO-YJBOKZPZSA-N 1 2 357.845 3.108 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456651051 501567253 /nfs/dbraw/zinc/56/72/53/501567253.db2.gz CPIKPLFLJNWASN-OAHLLOKOSA-N 1 2 356.264 3.077 20 30 FGEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000459389368 501644624 /nfs/dbraw/zinc/64/46/24/501644624.db2.gz HNUVETUTPQBDQQ-CQSZACIVSA-N 1 2 364.405 3.444 20 30 FGEDLO C=CCC[C@@H](CO)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455024702 501673880 /nfs/dbraw/zinc/67/38/80/501673880.db2.gz PDJLMDAULBVXNE-INIZCTEOSA-N 1 2 352.438 3.050 20 30 FGEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(F)c3C2)c(OC)c1 ZINC000459731993 501705703 /nfs/dbraw/zinc/70/57/03/501705703.db2.gz LSGIKLRTHFUOMH-KRWDZBQOSA-N 1 2 357.425 3.318 20 30 FGEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3cccc(F)c3C2)c(OC)c1 ZINC000459731993 501705704 /nfs/dbraw/zinc/70/57/04/501705704.db2.gz LSGIKLRTHFUOMH-KRWDZBQOSA-N 1 2 357.425 3.318 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729640 501784060 /nfs/dbraw/zinc/78/40/60/501784060.db2.gz JIALSQADTIFREF-HXUWFJFHSA-N 1 2 360.461 3.273 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729640 501784064 /nfs/dbraw/zinc/78/40/64/501784064.db2.gz JIALSQADTIFREF-HXUWFJFHSA-N 1 2 360.461 3.273 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000485458318 501826361 /nfs/dbraw/zinc/82/63/61/501826361.db2.gz VQBUEBAYFJTOMX-UHFFFAOYSA-N 1 2 353.491 3.318 20 30 FGEDLO C=C(C)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000470911653 501853256 /nfs/dbraw/zinc/85/32/56/501853256.db2.gz WMAHECGXQBAOSY-UHFFFAOYSA-N 1 2 374.462 3.447 20 30 FGEDLO C=C(C)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000470911653 501853259 /nfs/dbraw/zinc/85/32/59/501853259.db2.gz WMAHECGXQBAOSY-UHFFFAOYSA-N 1 2 374.462 3.447 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000470995694 501886551 /nfs/dbraw/zinc/88/65/51/501886551.db2.gz PKVBCZJWEQATOH-OAHLLOKOSA-N 1 2 361.795 3.101 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000464265570 501937213 /nfs/dbraw/zinc/93/72/13/501937213.db2.gz KPHNJZHOBSWMNW-CQSZACIVSA-N 1 2 360.421 3.201 20 30 FGEDLO Cc1cc2[nH]c(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc2c(C)c1 ZINC000481999497 501943095 /nfs/dbraw/zinc/94/30/95/501943095.db2.gz GPVMBOHASSKIRM-MRXNPFEDSA-N 1 2 360.465 3.157 20 30 FGEDLO Cc1cc2[nH]c(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc2c(C)c1 ZINC000481999497 501943096 /nfs/dbraw/zinc/94/30/96/501943096.db2.gz GPVMBOHASSKIRM-MRXNPFEDSA-N 1 2 360.465 3.157 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000478345944 501950372 /nfs/dbraw/zinc/95/03/72/501950372.db2.gz SYSGAKOSNADFDG-PMACEKPBSA-N 1 2 369.415 3.061 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000478345944 501950377 /nfs/dbraw/zinc/95/03/77/501950377.db2.gz SYSGAKOSNADFDG-PMACEKPBSA-N 1 2 369.415 3.061 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000478435701 501981365 /nfs/dbraw/zinc/98/13/65/501981365.db2.gz PKJQUWHNQMHYPT-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000478435701 501981370 /nfs/dbraw/zinc/98/13/70/501981370.db2.gz PKJQUWHNQMHYPT-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000468270457 502012186 /nfs/dbraw/zinc/01/21/86/502012186.db2.gz NCKXQNNOTHPKHR-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000596167925 506290022 /nfs/dbraw/zinc/29/00/22/506290022.db2.gz IVVMVHVPEHODQX-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000482438503 502067096 /nfs/dbraw/zinc/06/70/96/502067096.db2.gz MLCSHLYTHJOHPA-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nccn1Cc1ccccc1 ZINC000464742627 502078842 /nfs/dbraw/zinc/07/88/42/502078842.db2.gz XHNZNTCPTCJXQY-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nccn1Cc1ccccc1 ZINC000464742627 502078849 /nfs/dbraw/zinc/07/88/49/502078849.db2.gz XHNZNTCPTCJXQY-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000486233269 502092068 /nfs/dbraw/zinc/09/20/68/502092068.db2.gz OEZSYTIDRTUSLY-NRFANRHFSA-N 1 2 374.488 3.103 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)s1 ZINC000464867240 502129757 /nfs/dbraw/zinc/12/97/57/502129757.db2.gz HTRJEQBGFCZUFI-UHFFFAOYSA-N 1 2 373.453 3.176 20 30 FGEDLO COc1c(O)cccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475347168 502144645 /nfs/dbraw/zinc/14/46/45/502144645.db2.gz JYRXTAJWODSZSP-GOSISDBHSA-N 1 2 371.868 3.437 20 30 FGEDLO N#CC[C@H](CC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000475582792 502219142 /nfs/dbraw/zinc/21/91/42/502219142.db2.gz CMICVOCVJKARAU-CQSZACIVSA-N 1 2 350.344 3.149 20 30 FGEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000461957391 502252639 /nfs/dbraw/zinc/25/26/39/502252639.db2.gz KDAIQLVATYFIGN-QZTJIDSGSA-N 1 2 351.454 3.007 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)cc1 ZINC000469145785 502314246 /nfs/dbraw/zinc/31/42/46/502314246.db2.gz YIBDVVDOVDVUEH-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H](C)C2)cc1 ZINC000469145785 502314254 /nfs/dbraw/zinc/31/42/54/502314254.db2.gz YIBDVVDOVDVUEH-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000479729633 502358146 /nfs/dbraw/zinc/35/81/46/502358146.db2.gz MLJDPDAIPYDMDB-IBGZPJMESA-N 1 2 356.470 3.085 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469463244 502427586 /nfs/dbraw/zinc/42/75/86/502427586.db2.gz SLWHVFALVHKVBR-HXUWFJFHSA-N 1 2 361.436 3.498 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000487398506 502434325 /nfs/dbraw/zinc/43/43/25/502434325.db2.gz WPYCPNDFSJPJAJ-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000487398506 502434326 /nfs/dbraw/zinc/43/43/26/502434326.db2.gz WPYCPNDFSJPJAJ-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1CCOCC1 ZINC000462467295 502450478 /nfs/dbraw/zinc/45/04/78/502450478.db2.gz ZNLOGFJWPXLKAX-HNAYVOBHSA-N 1 2 366.465 3.162 20 30 FGEDLO CCn1nc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c2ccccc21 ZINC000473136812 502525414 /nfs/dbraw/zinc/52/54/14/502525414.db2.gz AHPFTGWAKKHXRM-UHFFFAOYSA-N 1 2 363.440 3.389 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1)[NH+]1CCOCC1 ZINC000602835528 506319832 /nfs/dbraw/zinc/31/98/32/506319832.db2.gz ZFHDXPAIVURSML-SUMDDJOVSA-N 1 2 356.470 3.236 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000466405908 502561062 /nfs/dbraw/zinc/56/10/62/502561062.db2.gz UUDFJLWRMACALC-MRXNPFEDSA-N 1 2 365.905 3.401 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854263 506327070 /nfs/dbraw/zinc/32/70/70/506327070.db2.gz AXHDVYDVUYEZKE-WNRNVDISSA-N 1 2 356.514 3.445 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854263 506327074 /nfs/dbraw/zinc/32/70/74/506327074.db2.gz AXHDVYDVUYEZKE-WNRNVDISSA-N 1 2 356.514 3.445 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477054591 502663111 /nfs/dbraw/zinc/66/31/11/502663111.db2.gz BKSPDGCFEPUFCA-OAQYLSRUSA-N 1 2 357.413 3.403 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477054591 502663115 /nfs/dbraw/zinc/66/31/15/502663115.db2.gz BKSPDGCFEPUFCA-OAQYLSRUSA-N 1 2 357.413 3.403 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854234 506327945 /nfs/dbraw/zinc/32/79/45/506327945.db2.gz NZMAVHJOKQQCSF-MELADBBJSA-N 1 2 359.474 3.323 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000473833214 502716987 /nfs/dbraw/zinc/71/69/87/502716987.db2.gz DLAREWLBAHSCMH-LJQANCHMSA-N 1 2 350.528 3.184 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000602866427 506331419 /nfs/dbraw/zinc/33/14/19/506331419.db2.gz ZZMUZCFOTHWHLD-MRVPVSSYSA-N 1 2 364.165 3.298 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481231392 502790812 /nfs/dbraw/zinc/79/08/12/502790812.db2.gz DNCRGGZNTXLHNP-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3CCCCC3)CC2)cc1 ZINC000505104964 502851909 /nfs/dbraw/zinc/85/19/09/502851909.db2.gz QDGCODZSFVWZQU-UHFFFAOYSA-N 1 2 354.498 3.356 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898186 506342960 /nfs/dbraw/zinc/34/29/60/506342960.db2.gz OOCIKTWFXNIZOR-INIZCTEOSA-N 1 2 373.460 3.333 20 30 FGEDLO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000489431186 502956763 /nfs/dbraw/zinc/95/67/63/502956763.db2.gz PVLOYFDVLATSLQ-CQSZACIVSA-N 1 2 358.301 3.263 20 30 FGEDLO C=C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000489431186 502956765 /nfs/dbraw/zinc/95/67/65/502956765.db2.gz PVLOYFDVLATSLQ-CQSZACIVSA-N 1 2 358.301 3.263 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000489698592 503013967 /nfs/dbraw/zinc/01/39/67/503013967.db2.gz UJFWKTNPJNHTRB-MSOLQXFVSA-N 1 2 372.481 3.374 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000489698592 503013969 /nfs/dbraw/zinc/01/39/69/503013969.db2.gz UJFWKTNPJNHTRB-MSOLQXFVSA-N 1 2 372.481 3.374 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489881579 503055742 /nfs/dbraw/zinc/05/57/42/503055742.db2.gz GPJQPXVVOATTHZ-UYAOXDASSA-N 1 2 357.417 3.179 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000490045202 503098413 /nfs/dbraw/zinc/09/84/13/503098413.db2.gz GMAGXNZCSJVPSV-IBGZPJMESA-N 1 2 371.868 3.147 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000490045202 503098414 /nfs/dbraw/zinc/09/84/14/503098414.db2.gz GMAGXNZCSJVPSV-IBGZPJMESA-N 1 2 371.868 3.147 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)c1 ZINC000506634780 503147072 /nfs/dbraw/zinc/14/70/72/503147072.db2.gz TZINSNJXGCPMJF-UHFFFAOYSA-N 1 2 362.355 3.174 20 30 FGEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530296 503219034 /nfs/dbraw/zinc/21/90/34/503219034.db2.gz KAGHGVINSXEXCT-HNNXBMFYSA-N 1 2 351.475 3.414 20 30 FGEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530296 503219035 /nfs/dbraw/zinc/21/90/35/503219035.db2.gz KAGHGVINSXEXCT-HNNXBMFYSA-N 1 2 351.475 3.414 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000510947128 503223167 /nfs/dbraw/zinc/22/31/67/503223167.db2.gz CQDSAOLYHOWSQF-HXUWFJFHSA-N 1 2 365.452 3.414 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccccc3F)CC2)CCCCC1 ZINC000602940681 506359951 /nfs/dbraw/zinc/35/99/51/506359951.db2.gz GYLZJMRMIIIBHM-UHFFFAOYSA-N 1 2 359.445 3.012 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000515068916 503264239 /nfs/dbraw/zinc/26/42/39/503264239.db2.gz DSGGLCPHPFMKEQ-AAEUAGOBSA-N 1 2 373.438 3.327 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492718819 503382644 /nfs/dbraw/zinc/38/26/44/503382644.db2.gz CFGVZXKYWNVYIB-FQEVSTJZSA-N 1 2 367.405 3.439 20 30 FGEDLO CCOc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492718819 503382648 /nfs/dbraw/zinc/38/26/48/503382648.db2.gz CFGVZXKYWNVYIB-FQEVSTJZSA-N 1 2 367.405 3.439 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000511765475 503383500 /nfs/dbraw/zinc/38/35/00/503383500.db2.gz RNPYSGLLPOPADG-HNNXBMFYSA-N 1 2 373.378 3.370 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000511765475 503383502 /nfs/dbraw/zinc/38/35/02/503383502.db2.gz RNPYSGLLPOPADG-HNNXBMFYSA-N 1 2 373.378 3.370 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2Cc3cccc(Br)c3C[C@H]2CC)C1=O ZINC000499716908 503465371 /nfs/dbraw/zinc/46/53/71/503465371.db2.gz BTMLKWCKUMXLOI-RHSMWYFYSA-N 1 2 363.299 3.373 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3cccc(Br)c3C[C@H]2CC)C1=O ZINC000499716908 503465374 /nfs/dbraw/zinc/46/53/74/503465374.db2.gz BTMLKWCKUMXLOI-RHSMWYFYSA-N 1 2 363.299 3.373 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508291055 503469281 /nfs/dbraw/zinc/46/92/81/503469281.db2.gz ZDNUIKVZYJDCPV-MSOLQXFVSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508291055 503469285 /nfs/dbraw/zinc/46/92/85/503469285.db2.gz ZDNUIKVZYJDCPV-MSOLQXFVSA-N 1 2 360.498 3.099 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccc(CO)o1 ZINC000512164915 503474769 /nfs/dbraw/zinc/47/47/69/503474769.db2.gz JJEKTVHPJRTWAA-UHFFFAOYSA-N 1 2 372.465 3.243 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccc(CO)o1 ZINC000512164915 503474771 /nfs/dbraw/zinc/47/47/71/503474771.db2.gz JJEKTVHPJRTWAA-UHFFFAOYSA-N 1 2 372.465 3.243 20 30 FGEDLO C=CC[N@H+](Cc1c(F)ccc(O)c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353228 503480864 /nfs/dbraw/zinc/48/08/64/503480864.db2.gz AZWJBLLNQBNDJS-CYBMUJFWSA-N 1 2 371.391 3.395 20 30 FGEDLO C=CC[N@@H+](Cc1c(F)ccc(O)c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353228 503480867 /nfs/dbraw/zinc/48/08/67/503480867.db2.gz AZWJBLLNQBNDJS-CYBMUJFWSA-N 1 2 371.391 3.395 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000516249181 503481358 /nfs/dbraw/zinc/48/13/58/503481358.db2.gz KXIWPJPZCPZFBD-IMJJTQAJSA-N 1 2 364.515 3.230 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000516249181 503481360 /nfs/dbraw/zinc/48/13/60/503481360.db2.gz KXIWPJPZCPZFBD-IMJJTQAJSA-N 1 2 364.515 3.230 20 30 FGEDLO CCCOc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000516297768 503490571 /nfs/dbraw/zinc/49/05/71/503490571.db2.gz MUOQBCSKOGDZSN-IBGZPJMESA-N 1 2 372.494 3.173 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(C#N)cc3F)[C@H](C)C2)cc1 ZINC000512379017 503531714 /nfs/dbraw/zinc/53/17/14/503531714.db2.gz CZQLRJOKAMRIKE-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@H](C)C2)cc1 ZINC000512379017 503531718 /nfs/dbraw/zinc/53/17/18/503531718.db2.gz CZQLRJOKAMRIKE-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000516692493 503570510 /nfs/dbraw/zinc/57/05/10/503570510.db2.gz SHKVPIAXBBISQC-NVXWUHKLSA-N 1 2 354.372 3.347 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000516692493 503570515 /nfs/dbraw/zinc/57/05/15/503570515.db2.gz SHKVPIAXBBISQC-NVXWUHKLSA-N 1 2 354.372 3.347 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3C)CC2)s1 ZINC000512757161 503626772 /nfs/dbraw/zinc/62/67/72/503626772.db2.gz FGVCZHMUNUIZLV-UHFFFAOYSA-N 1 2 353.491 3.449 20 30 FGEDLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512802098 503635101 /nfs/dbraw/zinc/63/51/01/503635101.db2.gz QMRREFMDHJUQLS-FQEVSTJZSA-N 1 2 368.408 3.455 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495082134 503663186 /nfs/dbraw/zinc/66/31/86/503663186.db2.gz VOVMBCMYMIPEFM-HNQUOIGGSA-N 1 2 361.405 3.037 20 30 FGEDLO COCc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C#N ZINC000529816418 503713563 /nfs/dbraw/zinc/71/35/63/503713563.db2.gz LZWFKDASDZRYDN-HXUWFJFHSA-N 1 2 367.424 3.447 20 30 FGEDLO COCc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C#N ZINC000529816418 503713568 /nfs/dbraw/zinc/71/35/68/503713568.db2.gz LZWFKDASDZRYDN-HXUWFJFHSA-N 1 2 367.424 3.447 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000533226021 503768350 /nfs/dbraw/zinc/76/83/50/503768350.db2.gz XKIFIAOYAMUQOY-UHFFFAOYSA-N 1 2 371.462 3.078 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000533226021 503768352 /nfs/dbraw/zinc/76/83/52/503768352.db2.gz XKIFIAOYAMUQOY-UHFFFAOYSA-N 1 2 371.462 3.078 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000533440975 503847469 /nfs/dbraw/zinc/84/74/69/503847469.db2.gz UIANXVMMFQUWOO-NLWGTHIKSA-N 1 2 357.498 3.438 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000533440975 503847472 /nfs/dbraw/zinc/84/74/72/503847472.db2.gz UIANXVMMFQUWOO-NLWGTHIKSA-N 1 2 357.498 3.438 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000533440976 503847798 /nfs/dbraw/zinc/84/77/98/503847798.db2.gz UIANXVMMFQUWOO-QWFCFKBJSA-N 1 2 357.498 3.438 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000533440976 503847804 /nfs/dbraw/zinc/84/78/04/503847804.db2.gz UIANXVMMFQUWOO-QWFCFKBJSA-N 1 2 357.498 3.438 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc([S@@](C)=O)cc1 ZINC000543909159 503938310 /nfs/dbraw/zinc/93/83/10/503938310.db2.gz SWTJTPFUNFIQHK-ZBSNKRKSSA-N 1 2 366.446 3.196 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000544520518 504160183 /nfs/dbraw/zinc/16/01/83/504160183.db2.gz ZLDBZTCXGWKLFD-GJZGRUSLSA-N 1 2 372.444 3.424 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)o1 ZINC000538407931 504238144 /nfs/dbraw/zinc/23/81/44/504238144.db2.gz MYVUNUCROFCQQF-UHFFFAOYSA-N 1 2 355.707 3.156 20 30 FGEDLO C=CCN(C(=O)Cc1cn2ccccc2[nH+]1)c1nc2c(s1)CCCC2 ZINC000531258342 504245581 /nfs/dbraw/zinc/24/55/81/504245581.db2.gz SQYZEXODHCCHCD-UHFFFAOYSA-N 1 2 352.463 3.431 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC000528789428 504383165 /nfs/dbraw/zinc/38/31/65/504383165.db2.gz RQJKNXDOVKZUNU-HNNXBMFYSA-N 1 2 359.227 3.153 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC000528789428 504383168 /nfs/dbraw/zinc/38/31/68/504383168.db2.gz RQJKNXDOVKZUNU-HNNXBMFYSA-N 1 2 359.227 3.153 20 30 FGEDLO N#Cc1nn(Cc2cn3cc(Br)ccc3[nH+]2)c2ccccc12 ZINC000542337548 504455376 /nfs/dbraw/zinc/45/53/76/504455376.db2.gz OXJCCGLHOWRLHW-UHFFFAOYSA-N 1 2 352.195 3.366 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1 ZINC000539377908 504546794 /nfs/dbraw/zinc/54/67/94/504546794.db2.gz YSLKBBSVBMNRBI-QGZVFWFLSA-N 1 2 352.369 3.225 20 30 FGEDLO C=CCn1c(N2CC[NH+]([C@@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC000548852438 504592186 /nfs/dbraw/zinc/59/21/86/504592186.db2.gz WOWIEGRIDMOJMT-AWEZNQCLSA-N 1 2 360.531 3.101 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000535978526 504598517 /nfs/dbraw/zinc/59/85/17/504598517.db2.gz QAZJEHZDZYDVEA-GFCCVEGCSA-N 1 2 363.343 3.332 20 30 FGEDLO Cc1[nH]c2ccccc2c1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000532467283 504661185 /nfs/dbraw/zinc/66/11/85/504661185.db2.gz DDFZGNJRXNKXTJ-UHFFFAOYSA-N 1 2 372.472 3.349 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000521229696 504687629 /nfs/dbraw/zinc/68/76/29/504687629.db2.gz BDACQUBLZCOKBO-GOSISDBHSA-N 1 2 351.454 3.235 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)nc1 ZINC000529521532 504709997 /nfs/dbraw/zinc/70/99/97/504709997.db2.gz SFHVIYHPDAOYNA-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000532662774 504729108 /nfs/dbraw/zinc/72/91/08/504729108.db2.gz BZDCOVYGSSPZHG-AWEZNQCLSA-N 1 2 364.474 3.477 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000532662774 504729114 /nfs/dbraw/zinc/72/91/14/504729114.db2.gz BZDCOVYGSSPZHG-AWEZNQCLSA-N 1 2 364.474 3.477 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000536617481 504770351 /nfs/dbraw/zinc/77/03/51/504770351.db2.gz NRHHNERIDHYNCQ-UHFFFAOYSA-N 1 2 356.429 3.373 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1F ZINC000565133662 504804763 /nfs/dbraw/zinc/80/47/63/504804763.db2.gz PUZBSJADJOXJRT-UHFFFAOYSA-N 1 2 363.396 3.458 20 30 FGEDLO C[C@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000549404738 504812173 /nfs/dbraw/zinc/81/21/73/504812173.db2.gz XSOXUNIRJACSEQ-HNNXBMFYSA-N 1 2 359.433 3.001 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000559349743 504842937 /nfs/dbraw/zinc/84/29/37/504842937.db2.gz LRMARIDXAWTKOJ-DZGCQCFKSA-N 1 2 366.465 3.253 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000559349743 504842942 /nfs/dbraw/zinc/84/29/42/504842942.db2.gz LRMARIDXAWTKOJ-DZGCQCFKSA-N 1 2 366.465 3.253 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3c(F)c(F)c(F)cc31)CCC2 ZINC000565354964 504863422 /nfs/dbraw/zinc/86/34/22/504863422.db2.gz NJABPXLXJDOZNM-LLVKDONJSA-N 1 2 371.366 3.440 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000565532857 504914728 /nfs/dbraw/zinc/91/47/28/504914728.db2.gz AHPBDTAYPBKIJX-UHFFFAOYSA-N 1 2 371.481 3.011 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000565532857 504914731 /nfs/dbraw/zinc/91/47/31/504914731.db2.gz AHPBDTAYPBKIJX-UHFFFAOYSA-N 1 2 371.481 3.011 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000556636217 504926190 /nfs/dbraw/zinc/92/61/90/504926190.db2.gz CMMMTIBSCYQATF-KBXCAEBGSA-N 1 2 365.437 3.014 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000559822849 504932687 /nfs/dbraw/zinc/93/26/87/504932687.db2.gz HWGOLVSWBMSZRH-RMKNXTFCSA-N 1 2 374.488 3.095 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000550081777 504963148 /nfs/dbraw/zinc/96/31/48/504963148.db2.gz GOIBQLVWYPAURD-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000550081777 504963152 /nfs/dbraw/zinc/96/31/52/504963152.db2.gz GOIBQLVWYPAURD-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ncc(C#N)cc2C)c(C)c1 ZINC000560330829 505047576 /nfs/dbraw/zinc/04/75/76/505047576.db2.gz DDUFTHXFMBZHKV-LJQANCHMSA-N 1 2 359.433 3.246 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccccc1Br ZINC000554181515 505111681 /nfs/dbraw/zinc/11/16/81/505111681.db2.gz ZTBVBERGXNACJY-UHFFFAOYSA-N 1 2 352.276 3.033 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccccc1Br ZINC000554181515 505111677 /nfs/dbraw/zinc/11/16/77/505111677.db2.gz ZTBVBERGXNACJY-UHFFFAOYSA-N 1 2 352.276 3.033 20 30 FGEDLO N#Cc1cccc(CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000563862232 505260423 /nfs/dbraw/zinc/26/04/23/505260423.db2.gz QKFSGCZVXZDJLT-UHFFFAOYSA-N 1 2 369.494 3.365 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000563869846 505262273 /nfs/dbraw/zinc/26/22/73/505262273.db2.gz RHERSCNXEHBNQD-NVXWUHKLSA-N 1 2 356.474 3.454 20 30 FGEDLO COc1ccc(Cn2cc(NCc3c[nH+]c4ccc(C#N)cn34)cn2)cc1 ZINC000551587884 505262357 /nfs/dbraw/zinc/26/23/57/505262357.db2.gz JPXMJMSTGARRJG-UHFFFAOYSA-N 1 2 358.405 3.071 20 30 FGEDLO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558082033 505302981 /nfs/dbraw/zinc/30/29/81/505302981.db2.gz SANMRFNAAHLTKF-AWEZNQCLSA-N 1 2 359.271 3.434 20 30 FGEDLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558082033 505302984 /nfs/dbraw/zinc/30/29/84/505302984.db2.gz SANMRFNAAHLTKF-AWEZNQCLSA-N 1 2 359.271 3.434 20 30 FGEDLO CCOC(=O)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558083353 505303421 /nfs/dbraw/zinc/30/34/21/505303421.db2.gz YOTMGJMJSLUTQQ-UHFFFAOYSA-N 1 2 365.271 3.486 20 30 FGEDLO COc1cc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)ccc1C#N ZINC000558504270 505410558 /nfs/dbraw/zinc/41/05/58/505410558.db2.gz CSICGUFGYPFMOT-ZDUSSCGKSA-N 1 2 365.412 3.446 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000555422841 505429830 /nfs/dbraw/zinc/42/98/30/505429830.db2.gz JRRYISPGGCRFLQ-LJQANCHMSA-N 1 2 359.445 3.204 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000555422841 505429834 /nfs/dbraw/zinc/42/98/34/505429834.db2.gz JRRYISPGGCRFLQ-LJQANCHMSA-N 1 2 359.445 3.204 20 30 FGEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1C#N ZINC000561857605 505452748 /nfs/dbraw/zinc/45/27/48/505452748.db2.gz UDMCAWLFVNVBTA-INIZCTEOSA-N 1 2 361.239 3.153 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000567469417 505473810 /nfs/dbraw/zinc/47/38/10/505473810.db2.gz AQEBTKYVQNIHDI-UHFFFAOYSA-N 1 2 360.421 3.480 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000555635299 505481203 /nfs/dbraw/zinc/48/12/03/505481203.db2.gz WUUODPNSKYDRQF-TZMCWYRMSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000555635299 505481207 /nfs/dbraw/zinc/48/12/07/505481207.db2.gz WUUODPNSKYDRQF-TZMCWYRMSA-N 1 2 354.429 3.384 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2sccc2Br)CC1 ZINC000552406886 505485289 /nfs/dbraw/zinc/48/52/89/505485289.db2.gz VSCURGMCMDEYNJ-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1C#N ZINC000564735258 505506400 /nfs/dbraw/zinc/50/64/00/505506400.db2.gz QYURHQVMGKMPEU-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000593088344 506384899 /nfs/dbraw/zinc/38/48/99/506384899.db2.gz AFOWBVDEGBLYAU-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000593088344 506384901 /nfs/dbraw/zinc/38/49/01/506384901.db2.gz AFOWBVDEGBLYAU-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(CCC)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000599282808 506397413 /nfs/dbraw/zinc/39/74/13/506397413.db2.gz LZHOCKUDJHOGJZ-UHFFFAOYSA-N 1 2 353.388 3.347 20 30 FGEDLO Cc1ccc(C(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000603099317 506418338 /nfs/dbraw/zinc/41/83/38/506418338.db2.gz JSGOIRMBFODNSP-CALCHBBNSA-N 1 2 364.449 3.241 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3coc(-c4ccccc4F)n3)CC2)n1 ZINC000599359496 506427452 /nfs/dbraw/zinc/42/74/52/506427452.db2.gz CAIAXWFUGDVIJD-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)cc1 ZINC000589158416 506463142 /nfs/dbraw/zinc/46/31/42/506463142.db2.gz OENDGQNKMOHPBL-UHFFFAOYSA-N 1 2 363.461 3.345 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158697 506465877 /nfs/dbraw/zinc/46/58/77/506465877.db2.gz OUASDDJHIGAAOZ-BEFAXECRSA-N 1 2 363.889 3.191 20 30 FGEDLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158697 506465882 /nfs/dbraw/zinc/46/58/82/506465882.db2.gz OUASDDJHIGAAOZ-BEFAXECRSA-N 1 2 363.889 3.191 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000603275955 506473995 /nfs/dbraw/zinc/47/39/95/506473995.db2.gz DTVYQKCAVPMJBR-UHFFFAOYSA-N 1 2 350.422 3.290 20 30 FGEDLO Cc1cc[nH+]cc1Cc1noc([C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000596617937 506493371 /nfs/dbraw/zinc/49/33/71/506493371.db2.gz YGSQYLDVHMXLDY-HNNXBMFYSA-N 1 2 363.396 3.369 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000582958790 506510672 /nfs/dbraw/zinc/51/06/72/506510672.db2.gz IIOCCXQNKCYSJU-HZPDHXFCSA-N 1 2 373.522 3.399 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000582958790 506510679 /nfs/dbraw/zinc/51/06/79/506510679.db2.gz IIOCCXQNKCYSJU-HZPDHXFCSA-N 1 2 373.522 3.399 20 30 FGEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000599648422 506549590 /nfs/dbraw/zinc/54/95/90/506549590.db2.gz HXXMJVVETDNTHY-UHFFFAOYSA-N 1 2 365.861 3.250 20 30 FGEDLO CN(C)c1c[nH+]ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000612391673 506558807 /nfs/dbraw/zinc/55/88/07/506558807.db2.gz VITGLTUJDWSZNZ-UHFFFAOYSA-N 1 2 372.428 3.272 20 30 FGEDLO COc1ccc(C#N)cc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599660387 506562526 /nfs/dbraw/zinc/56/25/26/506562526.db2.gz PTNKBWHKWSTXRQ-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599660387 506562530 /nfs/dbraw/zinc/56/25/30/506562530.db2.gz PTNKBWHKWSTXRQ-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589477540 506563507 /nfs/dbraw/zinc/56/35/07/506563507.db2.gz ATFAADWILLKFAU-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589477540 506563514 /nfs/dbraw/zinc/56/35/14/506563514.db2.gz ATFAADWILLKFAU-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599678248 506574188 /nfs/dbraw/zinc/57/41/88/506574188.db2.gz SCBLYJOBTIWOEL-CQSZACIVSA-N 1 2 362.433 3.220 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599678248 506574195 /nfs/dbraw/zinc/57/41/95/506574195.db2.gz SCBLYJOBTIWOEL-CQSZACIVSA-N 1 2 362.433 3.220 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000599679883 506576253 /nfs/dbraw/zinc/57/62/53/506576253.db2.gz ZDCMDTQKBDIUOR-UHFFFAOYSA-N 1 2 363.505 3.196 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000599679883 506576258 /nfs/dbraw/zinc/57/62/58/506576258.db2.gz ZDCMDTQKBDIUOR-UHFFFAOYSA-N 1 2 363.505 3.196 20 30 FGEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)cc1F ZINC000599681183 506576273 /nfs/dbraw/zinc/57/62/73/506576273.db2.gz WSKZFNMNOXKAGA-CQSZACIVSA-N 1 2 359.426 3.195 20 30 FGEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)cc1F ZINC000599681183 506576279 /nfs/dbraw/zinc/57/62/79/506576279.db2.gz WSKZFNMNOXKAGA-CQSZACIVSA-N 1 2 359.426 3.195 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc(Cl)c3)CC1)CCC2 ZINC000603840137 506630374 /nfs/dbraw/zinc/63/03/74/506630374.db2.gz IRBWXVJGBQDQNW-UHFFFAOYSA-N 1 2 352.869 3.418 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000603904837 506655488 /nfs/dbraw/zinc/65/54/88/506655488.db2.gz QHEUOHLCJXKTKT-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000603904837 506655492 /nfs/dbraw/zinc/65/54/92/506655492.db2.gz QHEUOHLCJXKTKT-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC3(C#N)CCOCC3)n2)C1 ZINC000596896305 506662965 /nfs/dbraw/zinc/66/29/65/506662965.db2.gz YLHDTTUHQVEQFM-CQSZACIVSA-N 1 2 362.499 3.024 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC3(C#N)CCOCC3)n2)C1 ZINC000596896305 506662970 /nfs/dbraw/zinc/66/29/70/506662970.db2.gz YLHDTTUHQVEQFM-CQSZACIVSA-N 1 2 362.499 3.024 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1F ZINC000593566714 506686858 /nfs/dbraw/zinc/68/68/58/506686858.db2.gz NZTQBTDGEUQWBA-IBGZPJMESA-N 1 2 369.440 3.225 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590031768 506711402 /nfs/dbraw/zinc/71/14/02/506711402.db2.gz NDBULGHOSLQFTK-MRXNPFEDSA-N 1 2 369.490 3.018 20 30 FGEDLO N#CCn1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc2ccccc21 ZINC000609162095 506799654 /nfs/dbraw/zinc/79/96/54/506799654.db2.gz XLKTUQKRZBDVMJ-UHFFFAOYSA-N 1 2 359.433 3.090 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597175431 506814989 /nfs/dbraw/zinc/81/49/89/506814989.db2.gz AYNCUVQSUNAQAH-MRXNPFEDSA-N 1 2 352.438 3.175 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175431 506814996 /nfs/dbraw/zinc/81/49/96/506814996.db2.gz AYNCUVQSUNAQAH-MRXNPFEDSA-N 1 2 352.438 3.175 20 30 FGEDLO CCOc1cccc(Cl)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000593942537 506838454 /nfs/dbraw/zinc/83/84/54/506838454.db2.gz UKSRYCRHVPCIOZ-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO Cc1nn(C)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1Br ZINC000600212780 506851313 /nfs/dbraw/zinc/85/13/13/506851313.db2.gz JMNXQRZHVWPSSJ-UHFFFAOYSA-N 1 2 359.271 3.115 20 30 FGEDLO Cc1nn(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1Br ZINC000600212780 506851319 /nfs/dbraw/zinc/85/13/19/506851319.db2.gz JMNXQRZHVWPSSJ-UHFFFAOYSA-N 1 2 359.271 3.115 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000590599306 506874608 /nfs/dbraw/zinc/87/46/08/506874608.db2.gz FUBSGFKKIKLNOF-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000590599306 506874612 /nfs/dbraw/zinc/87/46/12/506874612.db2.gz FUBSGFKKIKLNOF-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000590616759 506882845 /nfs/dbraw/zinc/88/28/45/506882845.db2.gz VWGNLTAIFLIKDV-QFIPXVFZSA-N 1 2 367.493 3.122 20 30 FGEDLO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486188 506896827 /nfs/dbraw/zinc/89/68/27/506896827.db2.gz FNTXKKPOACWFIV-FQEVSTJZSA-N 1 2 364.578 3.073 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609800901 507007825 /nfs/dbraw/zinc/00/78/25/507007825.db2.gz VINDTEZAOZOYDD-GOSISDBHSA-N 1 2 357.523 3.461 20 30 FGEDLO CN(C(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609800901 507007834 /nfs/dbraw/zinc/00/78/34/507007834.db2.gz VINDTEZAOZOYDD-GOSISDBHSA-N 1 2 357.523 3.461 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000613410290 507074920 /nfs/dbraw/zinc/07/49/20/507074920.db2.gz CUNDKHVWSCSTTB-UHFFFAOYSA-N 1 2 374.492 3.221 20 30 FGEDLO CCn1c2ccc(Br)cc2[nH+]c1NCc1nc(C#N)cs1 ZINC000584026306 507108423 /nfs/dbraw/zinc/10/84/23/507108423.db2.gz CIZRXRNYTMBGOM-UHFFFAOYSA-N 1 2 362.256 3.181 20 30 FGEDLO N#Cc1cc(F)ccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610278183 507174529 /nfs/dbraw/zinc/17/45/29/507174529.db2.gz IZTAWFNMGRLNMU-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000594542778 507178006 /nfs/dbraw/zinc/17/80/06/507178006.db2.gz ANGIQKLWFBHXPZ-UHFFFAOYSA-N 1 2 370.403 3.257 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CC(CC#N)C4)cc3)cn2c1 ZINC000598033956 507228177 /nfs/dbraw/zinc/22/81/77/507228177.db2.gz WZRXBMLEIYWGFP-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]CC(F)(F)c2cccc(F)c2)cc1 ZINC000594717784 507251972 /nfs/dbraw/zinc/25/19/72/507251972.db2.gz GKYCGHOPFRAASM-QGZVFWFLSA-N 1 2 364.367 3.013 20 30 FGEDLO N#Cc1cnc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2sccc21 ZINC000601100448 507260932 /nfs/dbraw/zinc/26/09/32/507260932.db2.gz CXDBZJPGJOYQFJ-UHFFFAOYSA-N 1 2 374.473 3.138 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(C#N)CCCCC3)cn2c1 ZINC000598303413 507365987 /nfs/dbraw/zinc/36/59/87/507365987.db2.gz ZYOCCRKXHWZRNC-UHFFFAOYSA-N 1 2 356.495 3.466 20 30 FGEDLO N#Cc1ccc(F)cc1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610728708 507367924 /nfs/dbraw/zinc/36/79/24/507367924.db2.gz JCYLXWBWPTYNAR-FQEVSTJZSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1cn2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2[nH+]1 ZINC000598469809 507439364 /nfs/dbraw/zinc/43/93/64/507439364.db2.gz UDHVGJDEVQBGML-HNNXBMFYSA-N 1 2 363.396 3.119 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C)cc1C ZINC000610927683 507445476 /nfs/dbraw/zinc/44/54/76/507445476.db2.gz DHSMYIYUOBPPBV-UHFFFAOYSA-N 1 2 369.465 3.472 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C)cc1C ZINC000610927683 507445477 /nfs/dbraw/zinc/44/54/77/507445477.db2.gz DHSMYIYUOBPPBV-UHFFFAOYSA-N 1 2 369.465 3.472 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000592135858 507500271 /nfs/dbraw/zinc/50/02/71/507500271.db2.gz GSYGSCVRMRPCQU-HNNXBMFYSA-N 1 2 362.882 3.266 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000592135858 507500277 /nfs/dbraw/zinc/50/02/77/507500277.db2.gz GSYGSCVRMRPCQU-HNNXBMFYSA-N 1 2 362.882 3.266 20 30 FGEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149736 507509634 /nfs/dbraw/zinc/50/96/34/507509634.db2.gz VKOAWIMXZMBWMH-OAQYLSRUSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149736 507509643 /nfs/dbraw/zinc/50/96/43/507509643.db2.gz VKOAWIMXZMBWMH-OAQYLSRUSA-N 1 2 365.433 3.076 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000592155732 507512178 /nfs/dbraw/zinc/51/21/78/507512178.db2.gz AFEYBLBQYTVQJF-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000592155732 507512184 /nfs/dbraw/zinc/51/21/84/507512184.db2.gz AFEYBLBQYTVQJF-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596661 507512555 /nfs/dbraw/zinc/51/25/55/507512555.db2.gz RSSQWKQYIIUDPF-IUODEOHRSA-N 1 2 373.280 3.440 20 30 FGEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596661 507512562 /nfs/dbraw/zinc/51/25/62/507512562.db2.gz RSSQWKQYIIUDPF-IUODEOHRSA-N 1 2 373.280 3.440 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC2(CCCC2)O1 ZINC000592196740 507533684 /nfs/dbraw/zinc/53/36/84/507533684.db2.gz XVFHODYVAGHTNB-OAHLLOKOSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC2(CCCC2)O1 ZINC000592196740 507533687 /nfs/dbraw/zinc/53/36/87/507533687.db2.gz XVFHODYVAGHTNB-OAHLLOKOSA-N 1 2 359.495 3.274 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nc4cc(F)ccc4o3)C2=O)cc1 ZINC000602015760 507555704 /nfs/dbraw/zinc/55/57/04/507555704.db2.gz OYUKNUOVNBNTMD-INIZCTEOSA-N 1 2 364.380 3.124 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000595616096 507593992 /nfs/dbraw/zinc/59/39/92/507593992.db2.gz PEAYWFKTXIRDQO-OAHLLOKOSA-N 1 2 355.438 3.292 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000595616096 507593998 /nfs/dbraw/zinc/59/39/98/507593998.db2.gz PEAYWFKTXIRDQO-OAHLLOKOSA-N 1 2 355.438 3.292 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602137821 507604871 /nfs/dbraw/zinc/60/48/71/507604871.db2.gz YDIOCKVMOVGOSV-KRWDZBQOSA-N 1 2 356.426 3.006 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665008 507608519 /nfs/dbraw/zinc/60/85/19/507608519.db2.gz KLWFURGRAYFCQA-IEBWSBKVSA-N 1 2 368.481 3.148 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665008 507608529 /nfs/dbraw/zinc/60/85/29/507608529.db2.gz KLWFURGRAYFCQA-IEBWSBKVSA-N 1 2 368.481 3.148 20 30 FGEDLO N#Cc1ccc(C2(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CCC2)cc1 ZINC000602175753 507615542 /nfs/dbraw/zinc/61/55/42/507615542.db2.gz VZUPHIAIIQPOKM-OAHLLOKOSA-N 1 2 362.355 3.444 20 30 FGEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000595682586 507625552 /nfs/dbraw/zinc/62/55/52/507625552.db2.gz BUTOULSOMCAEFN-DAXSKMNVSA-N 1 2 374.488 3.141 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598836592 507628945 /nfs/dbraw/zinc/62/89/45/507628945.db2.gz NPPVOEUKIWHGTJ-UYAOXDASSA-N 1 2 355.869 3.432 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000611349973 507634380 /nfs/dbraw/zinc/63/43/80/507634380.db2.gz SNDZRPFGBWYIKM-YJYMSZOUSA-N 1 2 356.495 3.138 20 30 FGEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000595732541 507653855 /nfs/dbraw/zinc/65/38/55/507653855.db2.gz JIMZAZAWJFRUFR-OAHLLOKOSA-N 1 2 362.437 3.128 20 30 FGEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611388919 507658073 /nfs/dbraw/zinc/65/80/73/507658073.db2.gz UNMRYOZMTQTYDY-LBPRGKRZSA-N 1 2 372.354 3.404 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCCOC1 ZINC000595752524 507666484 /nfs/dbraw/zinc/66/64/84/507666484.db2.gz MKIWDSPSGIRMQI-UHFFFAOYSA-N 1 2 359.495 3.106 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCCOC1 ZINC000595752524 507666488 /nfs/dbraw/zinc/66/64/88/507666488.db2.gz MKIWDSPSGIRMQI-UHFFFAOYSA-N 1 2 359.495 3.106 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc(Br)ccc2s1 ZINC000602333152 507673194 /nfs/dbraw/zinc/67/31/94/507673194.db2.gz LXLSMMFOFKASNE-HNNXBMFYSA-N 1 2 366.284 3.237 20 30 FGEDLO COc1ccc([C@H](CNCc2cccc(C#N)n2)[NH+]2CCCCC2)cc1 ZINC000602500255 507729563 /nfs/dbraw/zinc/72/95/63/507729563.db2.gz XTQGWMKEXNAVNQ-NRFANRHFSA-N 1 2 350.466 3.279 20 30 FGEDLO CC(=O)Nc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330350853 568319943 /nfs/dbraw/zinc/31/99/43/568319943.db2.gz LOLFQQPGGJQEBX-CRAIPNDOSA-N 1 2 371.441 3.392 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000113249102 700569795 /nfs/dbraw/zinc/56/97/95/700569795.db2.gz UMDQBSYCNDYQBC-GFCCVEGCSA-N 1 2 361.829 3.321 20 30 FGEDLO C[C@@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)[NH+]1CCOCC1 ZINC000329460946 713829692 /nfs/dbraw/zinc/82/96/92/713829692.db2.gz PLFXTNDSNJDSJZ-ZDUSSCGKSA-N 1 2 352.504 3.237 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000622769544 715090085 /nfs/dbraw/zinc/09/00/85/715090085.db2.gz MASSSODDROFSSW-KRWDZBQOSA-N 1 2 361.917 3.047 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)nn1 ZINC000653664619 719072537 /nfs/dbraw/zinc/07/25/37/719072537.db2.gz MFHSRTSAVQYCMM-INIZCTEOSA-N 1 2 362.275 3.253 20 30 FGEDLO O=[N+]([O-])c1cc(C=[NH+]OCCOCC(F)(F)F)ccc1N1CCCC1 ZINC000782308122 724651327 /nfs/dbraw/zinc/65/13/27/724651327.db2.gz KMZWBWQQYRBMND-UHFFFAOYSA-N 1 2 361.320 3.124 20 30 FGEDLO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 ZINC000782950043 724711802 /nfs/dbraw/zinc/71/18/02/724711802.db2.gz QWHBMJMDHRWVLN-UHFFFAOYSA-N 1 2 371.238 3.472 20 30 FGEDLO COc1ccc(NC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783793753 724791338 /nfs/dbraw/zinc/79/13/38/724791338.db2.gz QRVGUCFUCCNWAA-UHFFFAOYSA-N 1 2 357.464 3.263 20 30 FGEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O)C(C)C ZINC000728899372 722455187 /nfs/dbraw/zinc/45/51/87/722455187.db2.gz SOPMRHGIYWCAQJ-QGZVFWFLSA-N 1 2 353.825 3.100 20 30 FGEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O)C(C)C ZINC000728899372 722455188 /nfs/dbraw/zinc/45/51/88/722455188.db2.gz SOPMRHGIYWCAQJ-QGZVFWFLSA-N 1 2 353.825 3.100 20 30 FGEDLO CCCC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735309044 722514833 /nfs/dbraw/zinc/51/48/33/722514833.db2.gz DGRMJUQRVNUUPA-INIZCTEOSA-N 1 2 370.902 3.032 20 30 FGEDLO CCCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735309044 722514834 /nfs/dbraw/zinc/51/48/34/722514834.db2.gz DGRMJUQRVNUUPA-INIZCTEOSA-N 1 2 370.902 3.032 20 30 FGEDLO Cc1cc([C@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)ccc1F ZINC000759778259 723020524 /nfs/dbraw/zinc/02/05/24/723020524.db2.gz RJOFLXZWYABWTJ-IBGZPJMESA-N 1 2 359.832 3.496 20 30 FGEDLO CCOc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000794699828 723541715 /nfs/dbraw/zinc/54/17/15/723541715.db2.gz CQPJULXFGOUVAU-SOFGYWHQSA-N 1 2 361.423 3.408 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC000796542032 723642636 /nfs/dbraw/zinc/64/26/36/723642636.db2.gz SKNAVPNHFOETRV-CQSZACIVSA-N 1 2 351.397 3.061 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1 ZINC000768887394 723671095 /nfs/dbraw/zinc/67/10/95/723671095.db2.gz XQDQOAPGXAJTDU-UHFFFAOYSA-N 1 2 357.523 3.088 20 30 FGEDLO Fc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)ccc1Br ZINC000769828270 723697163 /nfs/dbraw/zinc/69/71/63/723697163.db2.gz DUEFAAOKOAQOFH-UHFFFAOYSA-N 1 2 364.222 3.424 20 30 FGEDLO S=C1N=NC(SCc2ccccc2)N1N=Cc1cccc2[nH+]ccn21 ZINC000771096280 723727790 /nfs/dbraw/zinc/72/77/90/723727790.db2.gz DQXWCVRKCPRHJU-UHFFFAOYSA-N 1 2 366.475 3.389 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000774063078 723854383 /nfs/dbraw/zinc/85/43/83/723854383.db2.gz QGTKJRUVRMFYDF-HNNXBMFYSA-N 1 2 358.438 3.127 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000774063078 723854389 /nfs/dbraw/zinc/85/43/89/723854389.db2.gz QGTKJRUVRMFYDF-HNNXBMFYSA-N 1 2 358.438 3.127 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCc2c(Cl)n(C)nc2C(F)(F)F)ccc1F ZINC000774745770 723926222 /nfs/dbraw/zinc/92/62/22/723926222.db2.gz AQRSKYOKVKNEAJ-UHFFFAOYSA-N 1 2 364.730 3.377 20 30 FGEDLO C[C@H](C#N)OCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000801935551 724348137 /nfs/dbraw/zinc/34/81/37/724348137.db2.gz HCSGEMILIZIWGB-CQSZACIVSA-N 1 2 356.297 3.082 20 30 FGEDLO CC1(C#N)CC[NH+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787230481 725021459 /nfs/dbraw/zinc/02/14/59/725021459.db2.gz VGEXCIYLEZNPIB-ZDUSSCGKSA-N 1 2 351.372 3.003 20 30 FGEDLO Cc1ncsc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000809995086 725281263 /nfs/dbraw/zinc/28/12/63/725281263.db2.gz KYUZJZGTRIGPPN-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038150 725387829 /nfs/dbraw/zinc/38/78/29/725387829.db2.gz HRQQVRKVWOWMKJ-BBRMVZONSA-N 1 2 351.853 3.107 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000812038150 725387830 /nfs/dbraw/zinc/38/78/30/725387830.db2.gz HRQQVRKVWOWMKJ-BBRMVZONSA-N 1 2 351.853 3.107 20 30 FGEDLO C#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000816514298 727170239 /nfs/dbraw/zinc/17/02/39/727170239.db2.gz SORAQTOHQQOPSR-UHFFFAOYSA-N 1 2 374.282 3.478 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1F ZINC000820738226 729023496 /nfs/dbraw/zinc/02/34/96/729023496.db2.gz VEYKWPJREWACPZ-KRWDZBQOSA-N 1 2 360.820 3.397 20 30 FGEDLO C[C@]12CC[N@H+](Cc3ccc(C#N)o3)C[C@H]1C2(Br)Br ZINC000826889041 729417974 /nfs/dbraw/zinc/41/79/74/729417974.db2.gz PYXVNCNQEZMPTF-NEPJUHHUSA-N 1 2 374.076 3.479 20 30 FGEDLO C[C@]12CC[N@@H+](Cc3ccc(C#N)o3)C[C@H]1C2(Br)Br ZINC000826889041 729417975 /nfs/dbraw/zinc/41/79/75/729417975.db2.gz PYXVNCNQEZMPTF-NEPJUHHUSA-N 1 2 374.076 3.479 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000827823848 729435572 /nfs/dbraw/zinc/43/55/72/729435572.db2.gz WKQQRILXAMIJAQ-UHFFFAOYSA-N 1 2 362.271 3.311 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000827823848 729435573 /nfs/dbraw/zinc/43/55/73/729435573.db2.gz WKQQRILXAMIJAQ-UHFFFAOYSA-N 1 2 362.271 3.311 20 30 FGEDLO C#CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000830342918 729551718 /nfs/dbraw/zinc/55/17/18/729551718.db2.gz GJJMCBCTUATIID-UHFFFAOYSA-N 1 2 357.454 3.157 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000842630154 730522284 /nfs/dbraw/zinc/52/22/84/730522284.db2.gz YMJUXWVCSIBYRY-GFCCVEGCSA-N 1 2 365.300 3.321 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000842630154 730522287 /nfs/dbraw/zinc/52/22/87/730522287.db2.gz YMJUXWVCSIBYRY-GFCCVEGCSA-N 1 2 365.300 3.321 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000847029670 731009134 /nfs/dbraw/zinc/00/91/34/731009134.db2.gz KWRKYGBXNLTUMP-CQSZACIVSA-N 1 2 355.463 3.102 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1 ZINC000847029670 731009139 /nfs/dbraw/zinc/00/91/39/731009139.db2.gz KWRKYGBXNLTUMP-CQSZACIVSA-N 1 2 355.463 3.102 20 30 FGEDLO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672961 731617038 /nfs/dbraw/zinc/61/70/38/731617038.db2.gz DREYWPNXTFJCMW-FVQBIDKESA-N 1 2 353.388 3.215 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000852752810 731629970 /nfs/dbraw/zinc/62/99/70/731629970.db2.gz MJZZGGXYOKBFGV-UHFFFAOYSA-N 1 2 353.344 3.227 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000852752810 731629971 /nfs/dbraw/zinc/62/99/71/731629971.db2.gz MJZZGGXYOKBFGV-UHFFFAOYSA-N 1 2 353.344 3.227 20 30 FGEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868790759 733643505 /nfs/dbraw/zinc/64/35/05/733643505.db2.gz BHYIOCPCRQJOKG-OAHLLOKOSA-N 1 2 367.877 3.351 20 30 FGEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CC[NH2+]2)c1 ZINC000870153663 733817488 /nfs/dbraw/zinc/81/74/88/733817488.db2.gz SGOHNVMSTMQXPV-SFHVURJKSA-N 1 2 355.825 3.007 20 30 FGEDLO COc1nsc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1Br ZINC000877116631 736189006 /nfs/dbraw/zinc/18/90/06/736189006.db2.gz RQGKVSDJLQJAAF-UHFFFAOYSA-N 1 2 368.256 3.084 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621008 737017637 /nfs/dbraw/zinc/01/76/37/737017637.db2.gz AEEIJHZEVHPOCU-HUUCEWRRSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621008 737017646 /nfs/dbraw/zinc/01/76/46/737017646.db2.gz AEEIJHZEVHPOCU-HUUCEWRRSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318552 737153829 /nfs/dbraw/zinc/15/38/29/737153829.db2.gz HNLXUCBRXSXDAQ-VXGBXAGGSA-N 1 2 372.519 3.381 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318552 737153834 /nfs/dbraw/zinc/15/38/34/737153834.db2.gz HNLXUCBRXSXDAQ-VXGBXAGGSA-N 1 2 372.519 3.381 20 30 FGEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)cc1F ZINC000880716767 737209371 /nfs/dbraw/zinc/20/93/71/737209371.db2.gz STBKFYGBGDOSDW-UHFFFAOYSA-N 1 2 362.405 3.248 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)CCC1 ZINC000886081832 739215374 /nfs/dbraw/zinc/21/53/74/739215374.db2.gz ZBNLPNAXHFFICH-GFCCVEGCSA-N 1 2 355.301 3.314 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3sc(Br)cc3C2)CCC1 ZINC000886081832 739215378 /nfs/dbraw/zinc/21/53/78/739215378.db2.gz ZBNLPNAXHFFICH-GFCCVEGCSA-N 1 2 355.301 3.314 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3ccc(Br)cc3C2)CCC1 ZINC000886193839 739227675 /nfs/dbraw/zinc/22/76/75/739227675.db2.gz DBRWNMMECJFYDU-HNNXBMFYSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3ccc(Br)cc3C2)CCC1 ZINC000886193839 739227678 /nfs/dbraw/zinc/22/76/78/739227678.db2.gz DBRWNMMECJFYDU-HNNXBMFYSA-N 1 2 365.271 3.088 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C#N ZINC000890452268 739800877 /nfs/dbraw/zinc/80/08/77/739800877.db2.gz OFOZBAINOXYTOE-UHFFFAOYSA-N 1 2 355.467 3.092 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C#N ZINC000890452268 739800882 /nfs/dbraw/zinc/80/08/82/739800882.db2.gz OFOZBAINOXYTOE-UHFFFAOYSA-N 1 2 355.467 3.092 20 30 FGEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632794 742697620 /nfs/dbraw/zinc/69/76/20/742697620.db2.gz PSICAHQVRVMCSK-UHFFFAOYSA-N 1 2 351.479 3.475 20 30 FGEDLO Cc1ccccc1NC(=S)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912783704 757373979 /nfs/dbraw/zinc/37/39/79/757373979.db2.gz SMJUFZQVKNJBLI-UHFFFAOYSA-N 1 2 354.479 3.152 20 30 FGEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2c(F)cccc2N2CCCC2)cc1 ZINC000914836086 757849535 /nfs/dbraw/zinc/84/95/35/757849535.db2.gz YRMZOJSDEUZFOI-UHFFFAOYSA-N 1 2 361.442 3.275 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000915951002 758009615 /nfs/dbraw/zinc/00/96/15/758009615.db2.gz FYPXYJZUUMEHLW-INMHGKMJSA-N 1 2 359.543 3.327 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C#N)C2)sc2c1CCCCC2 ZINC000932160006 761070681 /nfs/dbraw/zinc/07/06/81/761070681.db2.gz BITMTVKBGYCFJF-CQSZACIVSA-N 1 2 356.495 3.453 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C#N)C2)sc2c1CCCCC2 ZINC000932160006 761070694 /nfs/dbraw/zinc/07/06/94/761070694.db2.gz BITMTVKBGYCFJF-CQSZACIVSA-N 1 2 356.495 3.453 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C(Cl)=C/Cl ZINC000969037822 762851154 /nfs/dbraw/zinc/85/11/54/762851154.db2.gz MKOTWSKGGRRWCS-XRQILJBCSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000969037822 762851160 /nfs/dbraw/zinc/85/11/60/762851160.db2.gz MKOTWSKGGRRWCS-XRQILJBCSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000970392891 762874291 /nfs/dbraw/zinc/87/42/91/762874291.db2.gz GBOZRBVYMZMWEO-IACUBPJLSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC000972372096 762959342 /nfs/dbraw/zinc/95/93/42/762959342.db2.gz CPMGVIJQJRFLFM-IYOUNJFTSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC000972372096 762959344 /nfs/dbraw/zinc/95/93/44/762959344.db2.gz CPMGVIJQJRFLFM-IYOUNJFTSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 ZINC001001244990 765275578 /nfs/dbraw/zinc/27/55/78/765275578.db2.gz KLAAYBOCUKXTGO-ZWKOTPCHSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 ZINC001001244990 765275583 /nfs/dbraw/zinc/27/55/83/765275583.db2.gz KLAAYBOCUKXTGO-ZWKOTPCHSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001007923356 765628941 /nfs/dbraw/zinc/62/89/41/765628941.db2.gz XJFYPKCHRIGIFH-SYNHAJSKSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001007923356 765628950 /nfs/dbraw/zinc/62/89/50/765628950.db2.gz XJFYPKCHRIGIFH-SYNHAJSKSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001008472914 765667640 /nfs/dbraw/zinc/66/76/40/765667640.db2.gz HCDDUEVOJUJJBB-MGPQQGTHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001008472914 765667646 /nfs/dbraw/zinc/66/76/46/765667646.db2.gz HCDDUEVOJUJJBB-MGPQQGTHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001028327091 766121070 /nfs/dbraw/zinc/12/10/70/766121070.db2.gz SSNDBXREDXLUJP-VHDGCEQUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001028327091 766121072 /nfs/dbraw/zinc/12/10/72/766121072.db2.gz SSNDBXREDXLUJP-VHDGCEQUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001030333617 766164305 /nfs/dbraw/zinc/16/43/05/766164305.db2.gz UFAWAFOHTPOCDQ-MSOLQXFVSA-N 1 2 356.491 3.183 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)s1 ZINC001038789852 766284515 /nfs/dbraw/zinc/28/45/15/766284515.db2.gz CSMSQNPWEPLAMZ-IAOVAPTHSA-N 1 2 371.531 3.484 20 30 FGEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)s1 ZINC001038789852 766284522 /nfs/dbraw/zinc/28/45/22/766284522.db2.gz CSMSQNPWEPLAMZ-IAOVAPTHSA-N 1 2 371.531 3.484 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001044037171 766490082 /nfs/dbraw/zinc/49/00/82/766490082.db2.gz DCRYGJJDWGSWHI-HKUYNNGSSA-N 1 2 362.901 3.006 20 30 FGEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053445024 766972248 /nfs/dbraw/zinc/97/22/48/766972248.db2.gz IVBANBSOMMYJMD-IUODEOHRSA-N 1 2 350.894 3.460 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)O2 ZINC001053673573 766994881 /nfs/dbraw/zinc/99/48/81/766994881.db2.gz CUSBSIKLEISSNQ-GVDBMIGSSA-N 1 2 360.523 3.086 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000052488410 257345805 /nfs/dbraw/zinc/34/58/05/257345805.db2.gz RBJGEZPLJXNHOI-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1I ZINC000594713164 507247913 /nfs/dbraw/zinc/24/79/13/507247913.db2.gz YRFJYYWOBDLAAR-JTQLQIEISA-N 1 2 373.625 3.478 20 30 FGEDLO Cn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(C2CCCCC2)n1 ZINC000579665886 505597442 /nfs/dbraw/zinc/59/74/42/505597442.db2.gz OBLURLYXUGIZPT-UHFFFAOYSA-N 1 2 364.497 3.057 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057622733 493780378 /nfs/dbraw/zinc/78/03/78/493780378.db2.gz JQYOAJUVGCPZKR-UHFFFAOYSA-N 1 2 358.482 3.043 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057622733 493780381 /nfs/dbraw/zinc/78/03/81/493780381.db2.gz JQYOAJUVGCPZKR-UHFFFAOYSA-N 1 2 358.482 3.043 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CC1 ZINC000057908017 493814197 /nfs/dbraw/zinc/81/41/97/493814197.db2.gz SSXKXOJFRGZFMY-MRXNPFEDSA-N 1 2 368.462 3.254 20 30 FGEDLO N#Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1OCC(F)(F)F ZINC000057912560 493815480 /nfs/dbraw/zinc/81/54/80/493815480.db2.gz IVIUNNKDJOHCIR-UHFFFAOYSA-N 1 2 360.295 3.399 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c(C#N)c1C ZINC000029119672 493818462 /nfs/dbraw/zinc/81/84/62/493818462.db2.gz CWVAUKJFLALDCW-HXUWFJFHSA-N 1 2 360.417 3.481 20 30 FGEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000081257201 493852677 /nfs/dbraw/zinc/85/26/77/493852677.db2.gz TZUQRLUSNIXYIE-HKUYNNGSSA-N 1 2 369.852 3.265 20 30 FGEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000081257201 493852681 /nfs/dbraw/zinc/85/26/81/493852681.db2.gz TZUQRLUSNIXYIE-HKUYNNGSSA-N 1 2 369.852 3.265 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1SC ZINC000068802452 493876014 /nfs/dbraw/zinc/87/60/14/493876014.db2.gz BYAHDLFULMHNMR-UHFFFAOYSA-N 1 2 354.479 3.006 20 30 FGEDLO COc1ccc([C@@H](NC(=O)c2cccc(CC#N)c2)c2[nH+]ccn2C)cc1 ZINC000049619562 493876862 /nfs/dbraw/zinc/87/68/62/493876862.db2.gz FTGLLQSYYPTSPW-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000571239791 505686764 /nfs/dbraw/zinc/68/67/64/505686764.db2.gz JUQFZKKYZAECPM-UHFFFAOYSA-N 1 2 369.852 3.305 20 30 FGEDLO CCC[N@@H+](CC#N)CCCOc1cccc(I)c1 ZINC000058922108 493894682 /nfs/dbraw/zinc/89/46/82/493894682.db2.gz ARZBYVAMJMNIKK-UHFFFAOYSA-N 1 2 358.223 3.296 20 30 FGEDLO CCC[N@H+](CC#N)CCCOc1cccc(I)c1 ZINC000058922108 493894686 /nfs/dbraw/zinc/89/46/86/493894686.db2.gz ARZBYVAMJMNIKK-UHFFFAOYSA-N 1 2 358.223 3.296 20 30 FGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000081513276 493907329 /nfs/dbraw/zinc/90/73/29/493907329.db2.gz KKVZIBGAHJCPDZ-ZDUSSCGKSA-N 1 2 363.508 3.098 20 30 FGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000081513276 493907332 /nfs/dbraw/zinc/90/73/32/493907332.db2.gz KKVZIBGAHJCPDZ-ZDUSSCGKSA-N 1 2 363.508 3.098 20 30 FGEDLO N#CCC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)CC1CC1 ZINC000081514649 493907905 /nfs/dbraw/zinc/90/79/05/493907905.db2.gz USWVWNDILIKEBR-UHFFFAOYSA-N 1 2 362.477 3.409 20 30 FGEDLO N#CCC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)CC1CC1 ZINC000081514649 493907907 /nfs/dbraw/zinc/90/79/07/493907907.db2.gz USWVWNDILIKEBR-UHFFFAOYSA-N 1 2 362.477 3.409 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000069071903 493915995 /nfs/dbraw/zinc/91/59/95/493915995.db2.gz FWBVSTWVVQUNFR-PXNSSMCTSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000069071903 493915997 /nfs/dbraw/zinc/91/59/97/493915997.db2.gz FWBVSTWVVQUNFR-PXNSSMCTSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069072165 493916370 /nfs/dbraw/zinc/91/63/70/493916370.db2.gz HLZPECNIJWOCKF-SFTDATJTSA-N 1 2 369.509 3.188 20 30 FGEDLO COCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069072165 493916375 /nfs/dbraw/zinc/91/63/75/493916375.db2.gz HLZPECNIJWOCKF-SFTDATJTSA-N 1 2 369.509 3.188 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050960004 493940683 /nfs/dbraw/zinc/94/06/83/493940683.db2.gz LEAJTDTZHCMTCN-UHFFFAOYSA-N 1 2 374.391 3.347 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C#N)c1 ZINC000063300657 494041855 /nfs/dbraw/zinc/04/18/55/494041855.db2.gz AMQKGRHVOCWWMK-UHFFFAOYSA-N 1 2 362.433 3.143 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C#N)c1 ZINC000063300657 494041860 /nfs/dbraw/zinc/04/18/60/494041860.db2.gz AMQKGRHVOCWWMK-UHFFFAOYSA-N 1 2 362.433 3.143 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c1C ZINC000038419530 494113946 /nfs/dbraw/zinc/11/39/46/494113946.db2.gz FBPOAZZHCHNXKK-UHFFFAOYSA-N 1 2 353.466 3.001 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559427 494249765 /nfs/dbraw/zinc/24/97/65/494249765.db2.gz CCFDTIDKWUHZRA-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559427 494249767 /nfs/dbraw/zinc/24/97/67/494249767.db2.gz CCFDTIDKWUHZRA-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC000042978921 494255752 /nfs/dbraw/zinc/25/57/52/494255752.db2.gz MKSWZZYEVWPAFL-DYVFJYSZSA-N 1 2 366.303 3.324 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000042978921 494255757 /nfs/dbraw/zinc/25/57/57/494255757.db2.gz MKSWZZYEVWPAFL-DYVFJYSZSA-N 1 2 366.303 3.324 20 30 FGEDLO Cc1ncsc1C[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000066565591 494356011 /nfs/dbraw/zinc/35/60/11/494356011.db2.gz HLSLSYKPQVASSA-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000066565591 494356013 /nfs/dbraw/zinc/35/60/13/494356013.db2.gz HLSLSYKPQVASSA-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 ZINC000017843619 494418371 /nfs/dbraw/zinc/41/83/71/494418371.db2.gz CVGKBELLWWJNIJ-UHFFFAOYSA-N 1 2 370.456 3.307 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849361 494423489 /nfs/dbraw/zinc/42/34/89/494423489.db2.gz KYWUYAAIJHOSHI-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849361 494423492 /nfs/dbraw/zinc/42/34/92/494423492.db2.gz KYWUYAAIJHOSHI-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000066855930 494427754 /nfs/dbraw/zinc/42/77/54/494427754.db2.gz WRCAENHNESRZDN-CYBMUJFWSA-N 1 2 364.434 3.309 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000046040800 494489239 /nfs/dbraw/zinc/48/92/39/494489239.db2.gz IUDDJFZDEXMLHM-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO COc1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)ccc1C#N ZINC000577432107 505725285 /nfs/dbraw/zinc/72/52/85/505725285.db2.gz KIGZHSQRYZSVBR-UHFFFAOYSA-N 1 2 356.389 3.308 20 30 FGEDLO N#CCCCOc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000131430203 494615586 /nfs/dbraw/zinc/61/55/86/494615586.db2.gz OQCKUZPBGOYFEX-UHFFFAOYSA-N 1 2 352.438 3.213 20 30 FGEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000121177228 494633178 /nfs/dbraw/zinc/63/31/78/494633178.db2.gz KGFBJSJVLCYOGO-UHFFFAOYSA-N 1 2 374.916 3.052 20 30 FGEDLO C=CCOc1ccccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057055316 494633744 /nfs/dbraw/zinc/63/37/44/494633744.db2.gz OTDJQFHNDJSCNP-UHFFFAOYSA-N 1 2 365.477 3.251 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000121270795 494676687 /nfs/dbraw/zinc/67/66/87/494676687.db2.gz RKVJBCQRJJXQFI-HNNXBMFYSA-N 1 2 353.401 3.191 20 30 FGEDLO CCn1c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc2ccccc21 ZINC000092612854 494686168 /nfs/dbraw/zinc/68/61/68/494686168.db2.gz SFQKUDXSRBOMFV-UHFFFAOYSA-N 1 2 363.440 3.389 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000121366980 494722783 /nfs/dbraw/zinc/72/27/83/494722783.db2.gz PAFJWVVXIPZSJL-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000121394427 494735853 /nfs/dbraw/zinc/73/58/53/494735853.db2.gz PPGDOPYYOSDZSH-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092101703 494791572 /nfs/dbraw/zinc/79/15/72/494791572.db2.gz RMMADVGZVFVEHP-UHFFFAOYSA-N 1 2 351.410 3.168 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108863093 494796300 /nfs/dbraw/zinc/79/63/00/494796300.db2.gz BDKMGHXQWWNUMB-FQEVSTJZSA-N 1 2 354.429 3.004 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108863093 494796304 /nfs/dbraw/zinc/79/63/04/494796304.db2.gz BDKMGHXQWWNUMB-FQEVSTJZSA-N 1 2 354.429 3.004 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000026322978 494817499 /nfs/dbraw/zinc/81/74/99/494817499.db2.gz BDFBMEZBYLLOLP-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000026322978 494817503 /nfs/dbraw/zinc/81/75/03/494817503.db2.gz BDFBMEZBYLLOLP-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000574311845 505743797 /nfs/dbraw/zinc/74/37/97/505743797.db2.gz CIPYJNVHGXHITP-AWEZNQCLSA-N 1 2 350.260 3.065 20 30 FGEDLO Cc1noc([C@@H](C)[NH+]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 ZINC000109129553 494836300 /nfs/dbraw/zinc/83/63/00/494836300.db2.gz SIACCMMGKBOVTE-LLVKDONJSA-N 1 2 365.359 3.152 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000027776010 494885092 /nfs/dbraw/zinc/88/50/92/494885092.db2.gz BZUZHWLKEPYASI-UHFFFAOYSA-N 1 2 363.417 3.310 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000027776010 494885094 /nfs/dbraw/zinc/88/50/94/494885094.db2.gz BZUZHWLKEPYASI-UHFFFAOYSA-N 1 2 363.417 3.310 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)Cc1ccccc1 ZINC000027775438 494885250 /nfs/dbraw/zinc/88/52/50/494885250.db2.gz CBEAOQGFHQSNLA-UHFFFAOYSA-N 1 2 352.434 3.490 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)Cc1ccccc1 ZINC000027775438 494885251 /nfs/dbraw/zinc/88/52/51/494885251.db2.gz CBEAOQGFHQSNLA-UHFFFAOYSA-N 1 2 352.434 3.490 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)cc1Cl ZINC000093586976 494902014 /nfs/dbraw/zinc/90/20/14/494902014.db2.gz XEICKTYILDVZFH-UHFFFAOYSA-N 1 2 351.834 3.109 20 30 FGEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)cc1Cl ZINC000093586976 494902016 /nfs/dbraw/zinc/90/20/16/494902016.db2.gz XEICKTYILDVZFH-UHFFFAOYSA-N 1 2 351.834 3.109 20 30 FGEDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000110036208 494942041 /nfs/dbraw/zinc/94/20/41/494942041.db2.gz WPRTWQDZSINOKV-UHFFFAOYSA-N 1 2 370.478 3.143 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127710448 494985881 /nfs/dbraw/zinc/98/58/81/494985881.db2.gz GGUWGBYFHUYQSD-CTNGQTDRSA-N 1 2 369.415 3.331 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127710448 494985882 /nfs/dbraw/zinc/98/58/82/494985882.db2.gz GGUWGBYFHUYQSD-CTNGQTDRSA-N 1 2 369.415 3.331 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c2ccccc21 ZINC000133888488 495075785 /nfs/dbraw/zinc/07/57/85/495075785.db2.gz JFYXOHHIQVKKPJ-JOCHJYFZSA-N 1 2 373.456 3.329 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)c2ccccc21 ZINC000133888488 495075786 /nfs/dbraw/zinc/07/57/86/495075786.db2.gz JFYXOHHIQVKKPJ-JOCHJYFZSA-N 1 2 373.456 3.329 20 30 FGEDLO C=CCC[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000123094032 495079351 /nfs/dbraw/zinc/07/93/51/495079351.db2.gz JCLZRLJCSKQUBS-FQEVSTJZSA-N 1 2 364.493 3.027 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000128524045 495110973 /nfs/dbraw/zinc/11/09/73/495110973.db2.gz QERXSLDWISZFKO-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000128524045 495110977 /nfs/dbraw/zinc/11/09/77/495110977.db2.gz QERXSLDWISZFKO-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134280147 495129351 /nfs/dbraw/zinc/12/93/51/495129351.db2.gz YTIGXLBUDIGVQI-UHFFFAOYSA-N 1 2 363.870 3.096 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134280147 495129355 /nfs/dbraw/zinc/12/93/55/495129355.db2.gz YTIGXLBUDIGVQI-UHFFFAOYSA-N 1 2 363.870 3.096 20 30 FGEDLO COCC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000123428380 495131221 /nfs/dbraw/zinc/13/12/21/495131221.db2.gz FEXFGTFQGCWMNR-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO COCC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000123428380 495131223 /nfs/dbraw/zinc/13/12/23/495131223.db2.gz FEXFGTFQGCWMNR-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000102514804 495139309 /nfs/dbraw/zinc/13/93/09/495139309.db2.gz HHDLDRPWKBMYCQ-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO COc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000102514804 495139311 /nfs/dbraw/zinc/13/93/11/495139311.db2.gz HHDLDRPWKBMYCQ-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc[nH+]1 ZINC000119513557 495180217 /nfs/dbraw/zinc/18/02/17/495180217.db2.gz PQPIFTFJYWTVBR-MRXNPFEDSA-N 1 2 353.401 3.191 20 30 FGEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000119523078 495183149 /nfs/dbraw/zinc/18/31/49/495183149.db2.gz VNQREUSIKJDLPQ-KRWDZBQOSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000119523078 495183152 /nfs/dbraw/zinc/18/31/52/495183152.db2.gz VNQREUSIKJDLPQ-KRWDZBQOSA-N 1 2 353.466 3.485 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000568744588 505768285 /nfs/dbraw/zinc/76/82/85/505768285.db2.gz IWZLPNQABWURKY-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000124408077 495283061 /nfs/dbraw/zinc/28/30/61/495283061.db2.gz UKLNGULBYOPYAZ-NVXWUHKLSA-N 1 2 355.438 3.180 20 30 FGEDLO C[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000104715086 495299952 /nfs/dbraw/zinc/29/99/52/495299952.db2.gz HHVFPRNNJOAOPQ-HNNXBMFYSA-N 1 2 369.490 3.340 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)no1 ZINC000136886706 495407563 /nfs/dbraw/zinc/40/75/63/495407563.db2.gz QUISBFOPLIIVFT-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO C=CCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000130912416 495465873 /nfs/dbraw/zinc/46/58/73/495465873.db2.gz ZHFIJKAAHRIKEC-UXHICEINSA-N 1 2 357.498 3.200 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(=O)N4CCCCC4)c3)n2c1 ZINC000121022426 495505914 /nfs/dbraw/zinc/50/59/14/495505914.db2.gz VPWDZSBVENCMBY-UHFFFAOYSA-N 1 2 359.433 3.444 20 30 FGEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nccn1C(F)F ZINC000173670871 495642042 /nfs/dbraw/zinc/64/20/42/495642042.db2.gz CDRLLHYEDFLSJY-UHFFFAOYSA-N 1 2 367.787 3.264 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nccn1C(F)F ZINC000173670871 495642046 /nfs/dbraw/zinc/64/20/46/495642046.db2.gz CDRLLHYEDFLSJY-UHFFFAOYSA-N 1 2 367.787 3.264 20 30 FGEDLO N#Cc1cccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000159159493 495673176 /nfs/dbraw/zinc/67/31/76/495673176.db2.gz CRAFNEOKULSGFT-UHFFFAOYSA-N 1 2 361.405 3.155 20 30 FGEDLO N#CCCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176566362 495700805 /nfs/dbraw/zinc/70/08/05/495700805.db2.gz VNBMWVNBPSELFJ-MRXNPFEDSA-N 1 2 364.287 3.396 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1cccc(C#N)c1 ZINC000159750357 495801154 /nfs/dbraw/zinc/80/11/54/495801154.db2.gz XRKNJBOWPGFQGQ-UHFFFAOYSA-N 1 2 365.481 3.216 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1cccc(C#N)c1 ZINC000159750357 495801158 /nfs/dbraw/zinc/80/11/58/495801158.db2.gz XRKNJBOWPGFQGQ-UHFFFAOYSA-N 1 2 365.481 3.216 20 30 FGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000155071073 495825422 /nfs/dbraw/zinc/82/54/22/495825422.db2.gz LCEMHXFZUCFMSQ-KRWDZBQOSA-N 1 2 363.383 3.420 20 30 FGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000155071073 495825429 /nfs/dbraw/zinc/82/54/29/495825429.db2.gz LCEMHXFZUCFMSQ-KRWDZBQOSA-N 1 2 363.383 3.420 20 30 FGEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000171345801 495830846 /nfs/dbraw/zinc/83/08/46/495830846.db2.gz KRGPPQAOMBBUNW-UHFFFAOYSA-N 1 2 355.463 3.475 20 30 FGEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000171345801 495830848 /nfs/dbraw/zinc/83/08/48/495830848.db2.gz KRGPPQAOMBBUNW-UHFFFAOYSA-N 1 2 355.463 3.475 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000174157420 495841337 /nfs/dbraw/zinc/84/13/37/495841337.db2.gz XRMXDQBFMYUKLJ-FQEVSTJZSA-N 1 2 371.502 3.441 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000174157420 495841343 /nfs/dbraw/zinc/84/13/43/495841343.db2.gz XRMXDQBFMYUKLJ-FQEVSTJZSA-N 1 2 371.502 3.441 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000155265625 495897008 /nfs/dbraw/zinc/89/70/08/495897008.db2.gz UJYWRHFQOYGBFJ-NRFANRHFSA-N 1 2 361.493 3.064 20 30 FGEDLO N#CCC(=O)N1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000577884194 505811846 /nfs/dbraw/zinc/81/18/46/505811846.db2.gz FOCVAPWIRSXSJL-UHFFFAOYSA-N 1 2 372.266 3.160 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186504373 496023512 /nfs/dbraw/zinc/02/35/12/496023512.db2.gz VHCLHFYYJKFJGM-UHFFFAOYSA-N 1 2 358.388 3.329 20 30 FGEDLO C[C@H](NC(=O)NCCc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000571834838 505823935 /nfs/dbraw/zinc/82/39/35/505823935.db2.gz FHUJNKITPIPQRK-INIZCTEOSA-N 1 2 359.433 3.347 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1C ZINC000177577616 496118740 /nfs/dbraw/zinc/11/87/40/496118740.db2.gz JMEYDLLTKJBUPR-FQEVSTJZSA-N 1 2 365.477 3.037 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1C ZINC000177577616 496118744 /nfs/dbraw/zinc/11/87/44/496118744.db2.gz JMEYDLLTKJBUPR-FQEVSTJZSA-N 1 2 365.477 3.037 20 30 FGEDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000161189979 496123525 /nfs/dbraw/zinc/12/35/25/496123525.db2.gz XWYDCXJDWPUKFV-ZDUSSCGKSA-N 1 2 354.479 3.353 20 30 FGEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000161189979 496123529 /nfs/dbraw/zinc/12/35/29/496123529.db2.gz XWYDCXJDWPUKFV-ZDUSSCGKSA-N 1 2 354.479 3.353 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000184093283 496234316 /nfs/dbraw/zinc/23/43/16/496234316.db2.gz XIFSQMIDEBDDJA-NSHDSACASA-N 1 2 361.320 3.326 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172614209 496364160 /nfs/dbraw/zinc/36/41/60/496364160.db2.gz HDVAUDMBLOSHFL-CQSZACIVSA-N 1 2 367.478 3.297 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262072 496366212 /nfs/dbraw/zinc/36/62/12/496366212.db2.gz PBJIKTFJGJCNJF-OAHLLOKOSA-N 1 2 357.801 3.201 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262072 496366217 /nfs/dbraw/zinc/36/62/17/496366217.db2.gz PBJIKTFJGJCNJF-OAHLLOKOSA-N 1 2 357.801 3.201 20 30 FGEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000178292624 496400895 /nfs/dbraw/zinc/40/08/95/496400895.db2.gz URILFGLTJDFNIU-NHCUHLMSSA-N 1 2 371.444 3.483 20 30 FGEDLO N#CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccco1 ZINC000181729616 496520829 /nfs/dbraw/zinc/52/08/29/496520829.db2.gz FNYVJGSVKXMGHD-UHFFFAOYSA-N 1 2 360.345 3.071 20 30 FGEDLO N#CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccco1 ZINC000181729616 496520831 /nfs/dbraw/zinc/52/08/31/496520831.db2.gz FNYVJGSVKXMGHD-UHFFFAOYSA-N 1 2 360.345 3.071 20 30 FGEDLO COc1cc(C#N)ccc1CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000157819809 496563224 /nfs/dbraw/zinc/56/32/24/496563224.db2.gz JLCKQVWFXDDVNY-UHFFFAOYSA-N 1 2 364.449 3.268 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187794710 496574734 /nfs/dbraw/zinc/57/47/34/496574734.db2.gz JVBHBQGYKRGYSA-KRWDZBQOSA-N 1 2 361.348 3.379 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C[C@@H]1CCCc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000164826563 496634514 /nfs/dbraw/zinc/63/45/14/496634514.db2.gz KNSKDMHJGDYYHF-RXVVDRJESA-N 1 2 364.445 3.491 20 30 FGEDLO COc1cccc([C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000165302833 496654651 /nfs/dbraw/zinc/65/46/51/496654651.db2.gz JNYIWSSWBDUFEH-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO CC[C@H](C#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000179237595 496719455 /nfs/dbraw/zinc/71/94/55/496719455.db2.gz WDJRYPNEPFHWGL-HUUCEWRRSA-N 1 2 350.260 3.004 20 30 FGEDLO CCC1(CC)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000185298139 496725487 /nfs/dbraw/zinc/72/54/87/496725487.db2.gz GOVZJAWOPJEUKC-SANMLTNESA-N 1 2 370.522 3.082 20 30 FGEDLO CCC1(CC)C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000185298139 496725489 /nfs/dbraw/zinc/72/54/89/496725489.db2.gz GOVZJAWOPJEUKC-SANMLTNESA-N 1 2 370.522 3.082 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(C#N)c1C ZINC000185311716 496727953 /nfs/dbraw/zinc/72/79/53/496727953.db2.gz WAIYTGAVKIQXKA-ZDUSSCGKSA-N 1 2 359.376 3.474 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c(C#N)c1C ZINC000185311716 496727954 /nfs/dbraw/zinc/72/79/54/496727954.db2.gz WAIYTGAVKIQXKA-ZDUSSCGKSA-N 1 2 359.376 3.474 20 30 FGEDLO CC(C)N1CC[NH+](CCCSc2nc3c(cc2C#N)CCCC3)CC1 ZINC000188283185 496739811 /nfs/dbraw/zinc/73/98/11/496739811.db2.gz ZUYANIQAFJNTOQ-UHFFFAOYSA-N 1 2 358.555 3.340 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000277422911 496769121 /nfs/dbraw/zinc/76/91/21/496769121.db2.gz GQVFLHUSCKHJDK-LJQANCHMSA-N 1 2 369.852 3.167 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000273357171 496781795 /nfs/dbraw/zinc/78/17/95/496781795.db2.gz CAZJDTZIFGCVGF-CYBMUJFWSA-N 1 2 362.396 3.375 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC#N)cc3)n2)c1 ZINC000273375354 496787315 /nfs/dbraw/zinc/78/73/15/496787315.db2.gz LRLVXWXTENSHOF-CQSZACIVSA-N 1 2 364.405 3.498 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195058647 496808878 /nfs/dbraw/zinc/80/88/78/496808878.db2.gz YFFSOCAJHNQSHY-OAHLLOKOSA-N 1 2 354.460 3.394 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000191774799 496885170 /nfs/dbraw/zinc/88/51/70/496885170.db2.gz XNNBWLUFWYBPNR-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1sccc1Br ZINC000191822767 496901762 /nfs/dbraw/zinc/90/17/62/496901762.db2.gz IPXVPIPWVUFJDB-UHFFFAOYSA-N 1 2 368.300 3.369 20 30 FGEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1sccc1Br ZINC000191822767 496901769 /nfs/dbraw/zinc/90/17/69/496901769.db2.gz IPXVPIPWVUFJDB-UHFFFAOYSA-N 1 2 368.300 3.369 20 30 FGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000191825461 496902367 /nfs/dbraw/zinc/90/23/67/496902367.db2.gz LOULVZCLTUZYAU-NSHDSACASA-N 1 2 356.227 3.214 20 30 FGEDLO CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)C(F)(F)F ZINC000191840570 496907702 /nfs/dbraw/zinc/90/77/02/496907702.db2.gz LKLNJEBADYJMAV-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)C(F)(F)F ZINC000191840570 496907703 /nfs/dbraw/zinc/90/77/03/496907703.db2.gz LKLNJEBADYJMAV-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO Clc1ccccc1OCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000191887880 496920949 /nfs/dbraw/zinc/92/09/49/496920949.db2.gz KCFRAYCPKABRFF-UHFFFAOYSA-N 1 2 354.881 3.388 20 30 FGEDLO Clc1ccccc1OCCN1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191887880 496920954 /nfs/dbraw/zinc/92/09/54/496920954.db2.gz KCFRAYCPKABRFF-UHFFFAOYSA-N 1 2 354.881 3.388 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000195730074 496963967 /nfs/dbraw/zinc/96/39/67/496963967.db2.gz UJEIFFMCICVCTQ-UHFFFAOYSA-N 1 2 353.919 3.086 20 30 FGEDLO CC(C)(C)c1nc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 ZINC000192242228 497045038 /nfs/dbraw/zinc/04/50/38/497045038.db2.gz UFWPJWVGRVJVHS-QGZVFWFLSA-N 1 2 368.506 3.203 20 30 FGEDLO N#Cc1cccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC000270041968 497045846 /nfs/dbraw/zinc/04/58/46/497045846.db2.gz JRJOCTFTRRBATP-UHFFFAOYSA-N 1 2 362.462 3.281 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2ncc(C3CC3)o2)cc(Cl)c1OC ZINC000270433564 497127732 /nfs/dbraw/zinc/12/77/32/497127732.db2.gz FIWPFGAMZUVZNB-UHFFFAOYSA-N 1 2 351.790 3.060 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192557568 497149259 /nfs/dbraw/zinc/14/92/59/497149259.db2.gz UYSBHZRANQLYPD-HXUWFJFHSA-N 1 2 361.445 3.360 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192557568 497149264 /nfs/dbraw/zinc/14/92/64/497149264.db2.gz UYSBHZRANQLYPD-HXUWFJFHSA-N 1 2 361.445 3.360 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(F)c1 ZINC000192562235 497150013 /nfs/dbraw/zinc/15/00/13/497150013.db2.gz LMKFJVWWTZXXRC-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(F)c1 ZINC000192562235 497150019 /nfs/dbraw/zinc/15/00/19/497150019.db2.gz LMKFJVWWTZXXRC-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO COCC[N@H+](Cc1ccc(C)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192622559 497165844 /nfs/dbraw/zinc/16/58/44/497165844.db2.gz YXANQSQNJBPNJC-HXUWFJFHSA-N 1 2 367.449 3.104 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192622559 497165845 /nfs/dbraw/zinc/16/58/45/497165845.db2.gz YXANQSQNJBPNJC-HXUWFJFHSA-N 1 2 367.449 3.104 20 30 FGEDLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1OCCCC#N ZINC000270699866 497182044 /nfs/dbraw/zinc/18/20/44/497182044.db2.gz IGUHYWXDIHDKSP-AWEZNQCLSA-N 1 2 357.458 3.470 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)cs1 ZINC000270943603 497230979 /nfs/dbraw/zinc/23/09/79/497230979.db2.gz KHIWGBZPKRWFBZ-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)cs1 ZINC000270943603 497230984 /nfs/dbraw/zinc/23/09/84/497230984.db2.gz KHIWGBZPKRWFBZ-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000278834715 497236580 /nfs/dbraw/zinc/23/65/80/497236580.db2.gz DKZSSSDFKYGEPI-SNVBAGLBSA-N 1 2 360.405 3.155 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000278834710 497237067 /nfs/dbraw/zinc/23/70/67/497237067.db2.gz DKZSSSDFKYGEPI-JTQLQIEISA-N 1 2 360.405 3.155 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271010203 497245573 /nfs/dbraw/zinc/24/55/73/497245573.db2.gz PHOAFUUTFWRTFT-RBUKOAKNSA-N 1 2 368.506 3.377 20 30 FGEDLO COc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1OCCCC#N ZINC000271056411 497255991 /nfs/dbraw/zinc/25/59/91/497255991.db2.gz ZVYCDCFHTMNTIY-UHFFFAOYSA-N 1 2 369.465 3.289 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1OCCCC#N ZINC000271056411 497255994 /nfs/dbraw/zinc/25/59/94/497255994.db2.gz ZVYCDCFHTMNTIY-UHFFFAOYSA-N 1 2 369.465 3.289 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000190265246 497419132 /nfs/dbraw/zinc/41/91/32/497419132.db2.gz CNYOKWAMAMTLLC-UHFFFAOYSA-N 1 2 368.868 3.069 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000190265246 497419135 /nfs/dbraw/zinc/41/91/35/497419135.db2.gz CNYOKWAMAMTLLC-UHFFFAOYSA-N 1 2 368.868 3.069 20 30 FGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000272295365 497588804 /nfs/dbraw/zinc/58/88/04/497588804.db2.gz MXQYTFUZEUFTII-CYBMUJFWSA-N 1 2 367.478 3.412 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272513768 497648717 /nfs/dbraw/zinc/64/87/17/497648717.db2.gz GMKASYVVHHXXNJ-OAHLLOKOSA-N 1 2 357.454 3.204 20 30 FGEDLO CC1(C#N)CCN(c2nc(N3CCC(C)(C#N)CC3)c(Cl)c[nH+]2)CC1 ZINC000272574552 497667064 /nfs/dbraw/zinc/66/70/64/497667064.db2.gz WZZCHGCLQAHKJG-UHFFFAOYSA-N 1 2 358.877 3.390 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246224313 497667632 /nfs/dbraw/zinc/66/76/32/497667632.db2.gz FNWPLVZCCSKMPD-AZUAARDMSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246224313 497667634 /nfs/dbraw/zinc/66/76/34/497667634.db2.gz FNWPLVZCCSKMPD-AZUAARDMSA-N 1 2 371.843 3.455 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000191110311 497712790 /nfs/dbraw/zinc/71/27/90/497712790.db2.gz VSXMHGSLMFRPLD-UHFFFAOYSA-N 1 2 361.667 3.175 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000191110311 497712794 /nfs/dbraw/zinc/71/27/94/497712794.db2.gz VSXMHGSLMFRPLD-UHFFFAOYSA-N 1 2 361.667 3.175 20 30 FGEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000246485006 497749723 /nfs/dbraw/zinc/74/97/23/497749723.db2.gz JUPPUPGEJRMGEM-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000246485006 497749726 /nfs/dbraw/zinc/74/97/26/497749726.db2.gz JUPPUPGEJRMGEM-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1)C1CC1 ZINC000191234695 497752165 /nfs/dbraw/zinc/75/21/65/497752165.db2.gz DODGGPDAWQEVDV-KRWDZBQOSA-N 1 2 353.388 3.249 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1)C1CC1 ZINC000191234695 497752169 /nfs/dbraw/zinc/75/21/69/497752169.db2.gz DODGGPDAWQEVDV-KRWDZBQOSA-N 1 2 353.388 3.249 20 30 FGEDLO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191263200 497760708 /nfs/dbraw/zinc/76/07/08/497760708.db2.gz JGHSVZUXZMPWNG-STQMWFEESA-N 1 2 361.511 3.061 20 30 FGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000280582570 497793800 /nfs/dbraw/zinc/79/38/00/497793800.db2.gz SWYSRYCKDNPNRM-KRWDZBQOSA-N 1 2 365.271 3.091 20 30 FGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000280582570 497793804 /nfs/dbraw/zinc/79/38/04/497793804.db2.gz SWYSRYCKDNPNRM-KRWDZBQOSA-N 1 2 365.271 3.091 20 30 FGEDLO C[N@H+](CCC1CCCCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000263734809 497811991 /nfs/dbraw/zinc/81/19/91/497811991.db2.gz UCWWWHYCJFQPDW-QGZVFWFLSA-N 1 2 366.465 3.414 20 30 FGEDLO C[N@@H+](CCC1CCCCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000263734809 497811993 /nfs/dbraw/zinc/81/19/93/497811993.db2.gz UCWWWHYCJFQPDW-QGZVFWFLSA-N 1 2 366.465 3.414 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329724018 497880252 /nfs/dbraw/zinc/88/02/52/497880252.db2.gz FSYNXEPAFHBFHF-ZDUSSCGKSA-N 1 2 359.451 3.401 20 30 FGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@H]1CCCCC12CCCC2 ZINC000329815759 497912293 /nfs/dbraw/zinc/91/22/93/497912293.db2.gz OAULAHMLLUNZSE-SFHVURJKSA-N 1 2 372.513 3.425 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280824094 497912527 /nfs/dbraw/zinc/91/25/27/497912527.db2.gz NTPJMQRCEZMWKK-LIRRHRJNSA-N 1 2 360.454 3.270 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCCCC(=O)N2)cc1 ZINC000329848523 497926134 /nfs/dbraw/zinc/92/61/34/497926134.db2.gz NIESFYCIHKQBQO-MSOLQXFVSA-N 1 2 359.470 3.224 20 30 FGEDLO O=C(C[NH+]1CCC(NC(=O)C2CCC(=O)CC2)CC1)Nc1ccccc1 ZINC000329849902 497926305 /nfs/dbraw/zinc/92/63/05/497926305.db2.gz NWCZTEWBNVRSCX-UHFFFAOYSA-N 1 2 357.454 3.455 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000329851673 497927832 /nfs/dbraw/zinc/92/78/32/497927832.db2.gz QYPPVTCVBSRYLG-TZIWHRDSSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000329851673 497927839 /nfs/dbraw/zinc/92/78/39/497927839.db2.gz QYPPVTCVBSRYLG-TZIWHRDSSA-N 1 2 369.509 3.440 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000329872879 497935238 /nfs/dbraw/zinc/93/52/38/497935238.db2.gz DJYSUJJNZQGYFC-WIYYLYMNSA-N 1 2 366.465 3.053 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329872877 497935299 /nfs/dbraw/zinc/93/52/99/497935299.db2.gz DJYSUJJNZQGYFC-NQIIRXRSSA-N 1 2 366.465 3.053 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329892591 497942360 /nfs/dbraw/zinc/94/23/60/497942360.db2.gz AHMQGZPPZMPZRP-QUTFZUBRSA-N 1 2 362.514 3.180 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329892591 497942366 /nfs/dbraw/zinc/94/23/66/497942366.db2.gz AHMQGZPPZMPZRP-QUTFZUBRSA-N 1 2 362.514 3.180 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NCC1(c2ccc(F)cc2)CCC1 ZINC000329894741 497943141 /nfs/dbraw/zinc/94/31/41/497943141.db2.gz BOWQJBSXOWZASD-HNNXBMFYSA-N 1 2 356.445 3.210 20 30 FGEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000329896226 497943815 /nfs/dbraw/zinc/94/38/15/497943815.db2.gz CJUBBWRFIDJSQX-GXPJSCQJSA-N 1 2 374.504 3.361 20 30 FGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329896123 497944452 /nfs/dbraw/zinc/94/44/52/497944452.db2.gz CHKPBNRQTFVKBA-NVXWUHKLSA-N 1 2 374.485 3.374 20 30 FGEDLO Cc1cc(N2CCN(c3c(F)cc(C#N)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000301096644 497949115 /nfs/dbraw/zinc/94/91/15/497949115.db2.gz MVXCVRDWMRKWBK-UHFFFAOYSA-N 1 2 357.408 3.385 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1C ZINC000292292652 497956825 /nfs/dbraw/zinc/95/68/25/497956825.db2.gz UJLRKVKRWHYYLK-MRXNPFEDSA-N 1 2 370.478 3.032 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1C ZINC000292292652 497956832 /nfs/dbraw/zinc/95/68/32/497956832.db2.gz UJLRKVKRWHYYLK-MRXNPFEDSA-N 1 2 370.478 3.032 20 30 FGEDLO CCN1CCN(C(=O)NCCc2c(C)cc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329945093 497963861 /nfs/dbraw/zinc/96/38/61/497963861.db2.gz FOINVTSIVZAYKX-IBGZPJMESA-N 1 2 369.513 3.170 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCCC1 ZINC000329956426 497969551 /nfs/dbraw/zinc/96/95/51/497969551.db2.gz PNBWNDYTWAAQJI-HOTGVXAUSA-N 1 2 367.465 3.246 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCCC1 ZINC000329956426 497969557 /nfs/dbraw/zinc/96/95/57/497969557.db2.gz PNBWNDYTWAAQJI-HOTGVXAUSA-N 1 2 367.465 3.246 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1Br ZINC000569545937 505959853 /nfs/dbraw/zinc/95/98/53/505959853.db2.gz ZWVWUWMJYPELAC-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000301196887 497994806 /nfs/dbraw/zinc/99/48/06/497994806.db2.gz KRHXLGQGXBWQTM-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO CCN1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000330030022 497997021 /nfs/dbraw/zinc/99/70/21/497997021.db2.gz QYNYGCJLSSPZQP-ROUUACIJSA-N 1 2 371.460 3.219 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132038 498033124 /nfs/dbraw/zinc/03/31/24/498033124.db2.gz QCLIEOCLAZCMFE-GUXCAODWSA-N 1 2 362.470 3.250 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132038 498033129 /nfs/dbraw/zinc/03/31/29/498033129.db2.gz QCLIEOCLAZCMFE-GUXCAODWSA-N 1 2 362.470 3.250 20 30 FGEDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)cc(C#N)c1 ZINC000285306498 498048019 /nfs/dbraw/zinc/04/80/19/498048019.db2.gz DQHZWRVLUNPEOJ-UHFFFAOYSA-N 1 2 366.440 3.287 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)CCC2 ZINC000330173048 498049158 /nfs/dbraw/zinc/04/91/58/498049158.db2.gz YHFMVLCKGGYNNZ-GUDVDZBRSA-N 1 2 368.481 3.350 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330332378 498108120 /nfs/dbraw/zinc/10/81/20/498108120.db2.gz OUUTZICXEGTGNM-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO Cc1cccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330336336 498109183 /nfs/dbraw/zinc/10/91/83/498109183.db2.gz SHXNCQKLVFEUIZ-SZVBFZGTSA-N 1 2 356.470 3.256 20 30 FGEDLO CC(C)N(C)c1cccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330358381 498117776 /nfs/dbraw/zinc/11/77/76/498117776.db2.gz UTLSOSONLZSFRZ-APWZRJJASA-N 1 2 371.485 3.320 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c(C#N)c1C ZINC000285541897 498122399 /nfs/dbraw/zinc/12/23/99/498122399.db2.gz FXNVDXDPWWWJNC-VIFPVBQESA-N 1 2 350.394 3.199 20 30 FGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000281398030 498135564 /nfs/dbraw/zinc/13/55/64/498135564.db2.gz ISKVNYZPYHNTKW-INIZCTEOSA-N 1 2 366.465 3.296 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527695 498182498 /nfs/dbraw/zinc/18/24/98/498182498.db2.gz ZTWNXHSFGOJDSX-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527695 498182488 /nfs/dbraw/zinc/18/24/88/498182488.db2.gz ZTWNXHSFGOJDSX-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO CN(CC(C)(C)O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000330989284 498232009 /nfs/dbraw/zinc/23/20/09/498232009.db2.gz SBRRDPBJCPDBLS-HNNXBMFYSA-N 1 2 371.884 3.233 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000301721152 498237782 /nfs/dbraw/zinc/23/77/82/498237782.db2.gz QHKIROIEGNFHFV-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000281694739 498239222 /nfs/dbraw/zinc/23/92/22/498239222.db2.gz NIAGQBIQIKYSJZ-ZIAGYGMSSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000281694739 498239227 /nfs/dbraw/zinc/23/92/27/498239227.db2.gz NIAGQBIQIKYSJZ-ZIAGYGMSSA-N 1 2 361.511 3.326 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281814410 498279480 /nfs/dbraw/zinc/27/94/80/498279480.db2.gz OCPFKXFFVVBFTB-PKOBYXMFSA-N 1 2 372.513 3.090 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC1CCC(C#N)CC1 ZINC000281876977 498300973 /nfs/dbraw/zinc/30/09/73/498300973.db2.gz PBQTXYIGOUYTEE-UHFFFAOYSA-N 1 2 353.470 3.364 20 30 FGEDLO N#C[C@@]1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CC12CCCC2 ZINC000297065968 498310427 /nfs/dbraw/zinc/31/04/27/498310427.db2.gz JFPWTOKMJPPUOS-HSZRJFAPSA-N 1 2 374.488 3.485 20 30 FGEDLO Cc1nnc(C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)[nH]1 ZINC000360872987 498317093 /nfs/dbraw/zinc/31/70/93/498317093.db2.gz ODTZRVJCUOLVCX-UHFFFAOYSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139611 498317886 /nfs/dbraw/zinc/31/78/86/498317886.db2.gz RQGRNJWESJQTQZ-RTBURBONSA-N 1 2 350.422 3.187 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139611 498317892 /nfs/dbraw/zinc/31/78/92/498317892.db2.gz RQGRNJWESJQTQZ-RTBURBONSA-N 1 2 350.422 3.187 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289855742 498325608 /nfs/dbraw/zinc/32/56/08/498325608.db2.gz KWWXZXBDBSIJFC-YJBOKZPZSA-N 1 2 371.872 3.119 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289855742 498325614 /nfs/dbraw/zinc/32/56/14/498325614.db2.gz KWWXZXBDBSIJFC-YJBOKZPZSA-N 1 2 371.872 3.119 20 30 FGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302052159 498385600 /nfs/dbraw/zinc/38/56/00/498385600.db2.gz XWSVTNUTGNMDBD-UHFFFAOYSA-N 1 2 373.416 3.468 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)cc1 ZINC000290017933 498394277 /nfs/dbraw/zinc/39/42/77/498394277.db2.gz PCIGJRSWSIVRMU-UHFFFAOYSA-N 1 2 363.339 3.128 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000331657087 498411226 /nfs/dbraw/zinc/41/12/26/498411226.db2.gz VQCJBDPVRBQZLP-UHFFFAOYSA-N 1 2 370.497 3.309 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000331657087 498411231 /nfs/dbraw/zinc/41/12/31/498411231.db2.gz VQCJBDPVRBQZLP-UHFFFAOYSA-N 1 2 370.497 3.309 20 30 FGEDLO COc1cccc(-n2cc(C[NH2+]Cc3ccc(F)c(C#N)c3Cl)nn2)c1 ZINC000365339179 498412677 /nfs/dbraw/zinc/41/26/77/498412677.db2.gz WMQUTAFTEWRPJA-UHFFFAOYSA-N 1 2 371.803 3.230 20 30 FGEDLO CC[C@@H]1CCc2nc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)sc2C1 ZINC000282195501 498418951 /nfs/dbraw/zinc/41/89/51/498418951.db2.gz SHFDHYDTWKLRRT-CYBMUJFWSA-N 1 2 361.515 3.110 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000365379652 498433220 /nfs/dbraw/zinc/43/32/20/498433220.db2.gz PQKNDAOYHVJVNK-SFHVURJKSA-N 1 2 351.454 3.406 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000302191136 498435520 /nfs/dbraw/zinc/43/55/20/498435520.db2.gz BMHKBEMODOYVLY-MRXNPFEDSA-N 1 2 358.423 3.013 20 30 FGEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)c(F)c1 ZINC000286612198 498452375 /nfs/dbraw/zinc/45/23/75/498452375.db2.gz JCNRFRQOVYJBEI-UHFFFAOYSA-N 1 2 364.380 3.029 20 30 FGEDLO C#Cc1ccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000290198043 498461288 /nfs/dbraw/zinc/46/12/88/498461288.db2.gz XCFZGLWMJMGPKV-UHFFFAOYSA-N 1 2 352.482 3.452 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290273889 498490932 /nfs/dbraw/zinc/49/09/32/498490932.db2.gz WLHALDUBGUTTCL-CQSZACIVSA-N 1 2 353.401 3.003 20 30 FGEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000297642126 498521866 /nfs/dbraw/zinc/52/18/66/498521866.db2.gz DLTFXAGNMSUAFY-KRWDZBQOSA-N 1 2 360.502 3.161 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000332114151 498565681 /nfs/dbraw/zinc/56/56/81/498565681.db2.gz JRWGPXDWQROIHP-CYBMUJFWSA-N 1 2 372.831 3.265 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1Cl ZINC000294045605 498572588 /nfs/dbraw/zinc/57/25/88/498572588.db2.gz WRNAAQFISKDYKX-OAHLLOKOSA-N 1 2 357.903 3.161 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1Cl ZINC000294045605 498572591 /nfs/dbraw/zinc/57/25/91/498572591.db2.gz WRNAAQFISKDYKX-OAHLLOKOSA-N 1 2 357.903 3.161 20 30 FGEDLO C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000332287303 498634752 /nfs/dbraw/zinc/63/47/52/498634752.db2.gz IUGXNLOMAOSTCU-WFASDCNBSA-N 1 2 373.254 3.241 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298258558 498712745 /nfs/dbraw/zinc/71/27/45/498712745.db2.gz LEHKSBPJNNGFCC-BZSNNMDCSA-N 1 2 354.454 3.122 20 30 FGEDLO N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000312651231 498761154 /nfs/dbraw/zinc/76/11/54/498761154.db2.gz VPFLPLVEWMKCIF-IBGZPJMESA-N 1 2 358.445 3.419 20 30 FGEDLO N#Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000312651231 498761163 /nfs/dbraw/zinc/76/11/63/498761163.db2.gz VPFLPLVEWMKCIF-IBGZPJMESA-N 1 2 358.445 3.419 20 30 FGEDLO CCCc1c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cnn1-c1cccc(C#N)c1 ZINC000579129102 506100416 /nfs/dbraw/zinc/10/04/16/506100416.db2.gz PSBYDDQBSKJGPQ-CQSZACIVSA-N 1 2 362.437 3.237 20 30 FGEDLO CCCc1c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000579129102 506100422 /nfs/dbraw/zinc/10/04/22/506100422.db2.gz PSBYDDQBSKJGPQ-CQSZACIVSA-N 1 2 362.437 3.237 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601535 498871323 /nfs/dbraw/zinc/87/13/23/498871323.db2.gz FQELDZLOSVCBLR-AGIUHOORSA-N 1 2 374.407 3.132 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601535 498871329 /nfs/dbraw/zinc/87/13/29/498871329.db2.gz FQELDZLOSVCBLR-AGIUHOORSA-N 1 2 374.407 3.132 20 30 FGEDLO CC[C@@]1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000328601743 498871514 /nfs/dbraw/zinc/87/15/14/498871514.db2.gz GAOAPHUXTYIULS-KRWDZBQOSA-N 1 2 352.504 3.175 20 30 FGEDLO COc1c[nH+]c(N[C@H]2CC[C@@H](CC#N)C2)nc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000294996636 498874899 /nfs/dbraw/zinc/87/48/99/498874899.db2.gz NSDSEASWGURQLF-VGWMRTNUSA-N 1 2 354.458 3.474 20 30 FGEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cn2ccccc2c1C#N ZINC000298791706 498879163 /nfs/dbraw/zinc/87/91/63/498879163.db2.gz GABAQWRFBPHXCC-UHFFFAOYSA-N 1 2 352.463 3.011 20 30 FGEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cn2ccccc2c1C#N ZINC000298791706 498879168 /nfs/dbraw/zinc/87/91/68/498879168.db2.gz GABAQWRFBPHXCC-UHFFFAOYSA-N 1 2 352.463 3.011 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCC(=O)NC13CCC3)C2 ZINC000328749893 498925329 /nfs/dbraw/zinc/92/53/29/498925329.db2.gz QJDXNUHPVIOLEE-UONOGXRCSA-N 1 2 373.501 3.041 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCC(=O)NC13CCC3)C2 ZINC000328749893 498925332 /nfs/dbraw/zinc/92/53/32/498925332.db2.gz QJDXNUHPVIOLEE-UONOGXRCSA-N 1 2 373.501 3.041 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3(C)CCOCC3)n2)C1 ZINC000328799975 498943672 /nfs/dbraw/zinc/94/36/72/498943672.db2.gz HVGWLKVCRADOSP-CYBMUJFWSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3(C)CCOCC3)n2)C1 ZINC000328799975 498943677 /nfs/dbraw/zinc/94/36/77/498943677.db2.gz HVGWLKVCRADOSP-CYBMUJFWSA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@@]1(CO)CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328825040 498951180 /nfs/dbraw/zinc/95/11/80/498951180.db2.gz RRNNLVATXYBADF-RXVVDRJESA-N 1 2 366.465 3.288 20 30 FGEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328830610 498954584 /nfs/dbraw/zinc/95/45/84/498954584.db2.gz KPADEAQOWVLONA-WBVHZDCISA-N 1 2 350.825 3.386 20 30 FGEDLO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328830610 498954588 /nfs/dbraw/zinc/95/45/88/498954588.db2.gz KPADEAQOWVLONA-WBVHZDCISA-N 1 2 350.825 3.386 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000333279180 498963217 /nfs/dbraw/zinc/96/32/17/498963217.db2.gz JFFGLKUBCVURLH-LEWJYISDSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000333279180 498963222 /nfs/dbraw/zinc/96/32/22/498963222.db2.gz JFFGLKUBCVURLH-LEWJYISDSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000333279181 498963678 /nfs/dbraw/zinc/96/36/78/498963678.db2.gz JFFGLKUBCVURLH-NHCUHLMSSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@@H]3c3ccccc3)C2=O)cc1 ZINC000333279181 498963686 /nfs/dbraw/zinc/96/36/86/498963686.db2.gz JFFGLKUBCVURLH-NHCUHLMSSA-N 1 2 361.445 3.127 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CCOCC1 ZINC000328877514 498971049 /nfs/dbraw/zinc/97/10/49/498971049.db2.gz UDOSEMFOBCLJDV-ZDUSSCGKSA-N 1 2 358.442 3.050 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1=O ZINC000328921158 498985570 /nfs/dbraw/zinc/98/55/70/498985570.db2.gz CCFFAJPTWRKJFV-SJORKVTESA-N 1 2 350.503 3.231 20 30 FGEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328933614 498989850 /nfs/dbraw/zinc/98/98/50/498989850.db2.gz PTBFSPKTDQHMCN-CYBMUJFWSA-N 1 2 361.829 3.417 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366595744 498994984 /nfs/dbraw/zinc/99/49/84/498994984.db2.gz HZIHXUSEVQWNSR-HOCLYGCPSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366595744 498994987 /nfs/dbraw/zinc/99/49/87/498994987.db2.gz HZIHXUSEVQWNSR-HOCLYGCPSA-N 1 2 374.510 3.066 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCSC1 ZINC000328953729 498997674 /nfs/dbraw/zinc/99/76/74/498997674.db2.gz YCHXXKWBDVKIMD-XJKSGUPXSA-N 1 2 360.483 3.440 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCSC1 ZINC000328953729 498997679 /nfs/dbraw/zinc/99/76/79/498997679.db2.gz YCHXXKWBDVKIMD-XJKSGUPXSA-N 1 2 360.483 3.440 20 30 FGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1COc2ccc(Br)cc21 ZINC000328968814 499001220 /nfs/dbraw/zinc/00/12/20/499001220.db2.gz UFPMCWWOQMPGBH-PWSUYJOCSA-N 1 2 362.227 3.162 20 30 FGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1COc2ccc(Br)cc21 ZINC000328968814 499001226 /nfs/dbraw/zinc/00/12/26/499001226.db2.gz UFPMCWWOQMPGBH-PWSUYJOCSA-N 1 2 362.227 3.162 20 30 FGEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000299253835 499006428 /nfs/dbraw/zinc/00/64/28/499006428.db2.gz APHJDPFCDSFOBC-QGZVFWFLSA-N 1 2 365.477 3.242 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000328990718 499008826 /nfs/dbraw/zinc/00/88/26/499008826.db2.gz IGDXPYHHFVKJCO-CQSZACIVSA-N 1 2 371.460 3.179 20 30 FGEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028740 499019510 /nfs/dbraw/zinc/01/95/10/499019510.db2.gz KPCJVLSZHKFAFI-JQWIXIFHSA-N 1 2 371.466 3.266 20 30 FGEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028740 499019515 /nfs/dbraw/zinc/01/95/15/499019515.db2.gz KPCJVLSZHKFAFI-JQWIXIFHSA-N 1 2 371.466 3.266 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329044535 499024527 /nfs/dbraw/zinc/02/45/27/499024527.db2.gz UJQUGUMIIPHGQK-JEBQAFNWSA-N 1 2 360.408 3.126 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329044535 499024541 /nfs/dbraw/zinc/02/45/41/499024541.db2.gz UJQUGUMIIPHGQK-JEBQAFNWSA-N 1 2 360.408 3.126 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329044535 499024546 /nfs/dbraw/zinc/02/45/46/499024546.db2.gz UJQUGUMIIPHGQK-JEBQAFNWSA-N 1 2 360.408 3.126 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000329067097 499031488 /nfs/dbraw/zinc/03/14/88/499031488.db2.gz WWACJQMACXQBNY-MRXNPFEDSA-N 1 2 374.872 3.332 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000329091128 499039801 /nfs/dbraw/zinc/03/98/01/499039801.db2.gz WTGDXKMDJMYADA-WPKBUWHJSA-N 1 2 372.494 3.436 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000329164909 499060440 /nfs/dbraw/zinc/06/04/40/499060440.db2.gz HBHSJEWTOVYKHK-GOSISDBHSA-N 1 2 354.454 3.486 20 30 FGEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1ccnc1 ZINC000329181902 499065581 /nfs/dbraw/zinc/06/55/81/499065581.db2.gz NOLXINWJUVJYIN-UKRRQHHQSA-N 1 2 359.499 3.390 20 30 FGEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1ccnc1 ZINC000329181902 499065584 /nfs/dbraw/zinc/06/55/84/499065584.db2.gz NOLXINWJUVJYIN-UKRRQHHQSA-N 1 2 359.499 3.390 20 30 FGEDLO C[N@@H+]1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274041 499080777 /nfs/dbraw/zinc/08/07/77/499080777.db2.gz NAUIPJAMSBAKGL-FXAWDEMLSA-N 1 2 368.868 3.185 20 30 FGEDLO C[N@H+]1CC[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000284274041 499080783 /nfs/dbraw/zinc/08/07/83/499080783.db2.gz NAUIPJAMSBAKGL-FXAWDEMLSA-N 1 2 368.868 3.185 20 30 FGEDLO CCc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000291891008 499094473 /nfs/dbraw/zinc/09/44/73/499094473.db2.gz PBFRWQMKGYCKTB-SFHVURJKSA-N 1 2 372.432 3.025 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CSc1nncs1)C2 ZINC000329312722 499096900 /nfs/dbraw/zinc/09/69/00/499096900.db2.gz CFGJELQKAUWVTI-JTQLQIEISA-N 1 2 351.501 3.096 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)[nH]1 ZINC000329425653 499119448 /nfs/dbraw/zinc/11/94/48/499119448.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)[nH]1 ZINC000329425653 499119452 /nfs/dbraw/zinc/11/94/52/499119452.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n1 ZINC000329425653 499119454 /nfs/dbraw/zinc/11/94/54/499119454.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n1 ZINC000329425653 499119457 /nfs/dbraw/zinc/11/94/57/499119457.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n[nH]1 ZINC000329425653 499119459 /nfs/dbraw/zinc/11/94/59/499119459.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n[nH]1 ZINC000329425653 499119462 /nfs/dbraw/zinc/11/94/62/499119462.db2.gz GVFYJZBKJBAJQC-MRXNPFEDSA-N 1 2 353.470 3.328 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cccc3c1OCCC3=O)C2 ZINC000329436099 499121428 /nfs/dbraw/zinc/12/14/28/499121428.db2.gz LWLPTMNQVQYZAU-UHFFFAOYSA-N 1 2 368.437 3.113 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079041 499145038 /nfs/dbraw/zinc/14/50/38/499145038.db2.gz RSGCWCNAJNRITQ-FXAWDEMLSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079041 499145041 /nfs/dbraw/zinc/14/50/41/499145041.db2.gz RSGCWCNAJNRITQ-FXAWDEMLSA-N 1 2 372.852 3.025 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000367259743 499169912 /nfs/dbraw/zinc/16/99/12/499169912.db2.gz JSTZAYWAFOMTQY-UHFFFAOYSA-N 1 2 351.435 3.250 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000370056988 499172370 /nfs/dbraw/zinc/17/23/70/499172370.db2.gz UFQGQEFMBKGEKZ-OAHLLOKOSA-N 1 2 356.495 3.434 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000370056988 499172373 /nfs/dbraw/zinc/17/23/73/499172373.db2.gz UFQGQEFMBKGEKZ-OAHLLOKOSA-N 1 2 356.495 3.434 20 30 FGEDLO C=CCC(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000370441396 499221032 /nfs/dbraw/zinc/22/10/32/499221032.db2.gz MDCRHPJIRMIOOC-LJQANCHMSA-N 1 2 369.465 3.411 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000368020553 499256137 /nfs/dbraw/zinc/25/61/37/499256137.db2.gz WLEZTVJAPDEWPN-UHFFFAOYSA-N 1 2 353.447 3.349 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000368020553 499256139 /nfs/dbraw/zinc/25/61/39/499256139.db2.gz WLEZTVJAPDEWPN-UHFFFAOYSA-N 1 2 353.447 3.349 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368068294 499261231 /nfs/dbraw/zinc/26/12/31/499261231.db2.gz HKJNWLCXAQEELC-STQMWFEESA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368068294 499261232 /nfs/dbraw/zinc/26/12/32/499261232.db2.gz HKJNWLCXAQEELC-STQMWFEESA-N 1 2 355.467 3.483 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000368203077 499273935 /nfs/dbraw/zinc/27/39/35/499273935.db2.gz SKEIFZBWKUBBFA-HNNXBMFYSA-N 1 2 360.417 3.180 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308277 499308445 /nfs/dbraw/zinc/30/84/45/499308445.db2.gz NALLJQNUEGXKDJ-LBPRGKRZSA-N 1 2 365.355 3.281 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308277 499308446 /nfs/dbraw/zinc/30/84/46/499308446.db2.gz NALLJQNUEGXKDJ-LBPRGKRZSA-N 1 2 365.355 3.281 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371410932 499322777 /nfs/dbraw/zinc/32/27/77/499322777.db2.gz JCJWJVGQCMXMHX-IBGZPJMESA-N 1 2 356.433 3.430 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371410932 499322779 /nfs/dbraw/zinc/32/27/79/499322779.db2.gz JCJWJVGQCMXMHX-IBGZPJMESA-N 1 2 356.433 3.430 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc1OC ZINC000371464297 499330440 /nfs/dbraw/zinc/33/04/40/499330440.db2.gz QOSKIACIJISDGH-VMSUTVGLSA-N 1 2 367.449 3.370 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1OC ZINC000371464355 499330524 /nfs/dbraw/zinc/33/05/24/499330524.db2.gz RDNRWQJOVZWETG-HXUWFJFHSA-N 1 2 368.433 3.158 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1OC ZINC000371464355 499330525 /nfs/dbraw/zinc/33/05/25/499330525.db2.gz RDNRWQJOVZWETG-HXUWFJFHSA-N 1 2 368.433 3.158 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368797285 499333506 /nfs/dbraw/zinc/33/35/06/499333506.db2.gz BBADIRGBKKURLJ-INIZCTEOSA-N 1 2 359.495 3.132 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368797285 499333508 /nfs/dbraw/zinc/33/35/08/499333508.db2.gz BBADIRGBKKURLJ-INIZCTEOSA-N 1 2 359.495 3.132 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000369005718 499356240 /nfs/dbraw/zinc/35/62/40/499356240.db2.gz WANGJEHNBGITCF-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000369005718 499356242 /nfs/dbraw/zinc/35/62/42/499356242.db2.gz WANGJEHNBGITCF-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000369082554 499364091 /nfs/dbraw/zinc/36/40/91/499364091.db2.gz FVCVDTJSMHVYDF-OAHLLOKOSA-N 1 2 350.344 3.250 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000369448716 499404221 /nfs/dbraw/zinc/40/42/21/499404221.db2.gz VOOLFSVNRBFIDM-HNNXBMFYSA-N 1 2 355.463 3.349 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2)C1 ZINC000369448716 499404223 /nfs/dbraw/zinc/40/42/23/499404223.db2.gz VOOLFSVNRBFIDM-HNNXBMFYSA-N 1 2 355.463 3.349 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372942046 499444081 /nfs/dbraw/zinc/44/40/81/499444081.db2.gz IHMUNIVCTIHLOO-UHFFFAOYSA-N 1 2 356.401 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122015 499452612 /nfs/dbraw/zinc/45/26/12/499452612.db2.gz DOLJIQUKXRPXQF-UGSOOPFHSA-N 1 2 353.422 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122015 499452613 /nfs/dbraw/zinc/45/26/13/499452613.db2.gz DOLJIQUKXRPXQF-UGSOOPFHSA-N 1 2 353.422 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c(C#N)c1C ZINC000378599492 499536311 /nfs/dbraw/zinc/53/63/11/499536311.db2.gz VHKFUCKSSOYOBQ-WMLDXEAASA-N 1 2 359.470 3.234 20 30 FGEDLO COc1ccc([C@@H](NC(=O)c2ccc(C)c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000375625769 499538798 /nfs/dbraw/zinc/53/87/98/499538798.db2.gz PPWBAMJRBRDRJD-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000375728331 499549381 /nfs/dbraw/zinc/54/93/81/499549381.db2.gz AFPJVSYUXVRXFK-FGTMMUONSA-N 1 2 357.429 3.136 20 30 FGEDLO N#Cc1c(C#N)c(N2CCN(c3cccc[nH+]3)CC2)nc2c1CCCCCC2 ZINC000408331241 499584150 /nfs/dbraw/zinc/58/41/50/499584150.db2.gz WGAVUGCRRIMOJG-UHFFFAOYSA-N 1 2 372.476 3.206 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscc2C#N)[C@@H](C)C1 ZINC000410820928 499681142 /nfs/dbraw/zinc/68/11/42/499681142.db2.gz GTMFORSJNGLKMN-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscc2C#N)[C@@H](C)C1 ZINC000410820928 499681143 /nfs/dbraw/zinc/68/11/43/499681143.db2.gz GTMFORSJNGLKMN-HNNXBMFYSA-N 1 2 369.490 3.365 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190651 499709144 /nfs/dbraw/zinc/70/91/44/499709144.db2.gz IENSASDIEHRTIV-DNVCBOLYSA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190651 499709145 /nfs/dbraw/zinc/70/91/45/499709145.db2.gz IENSASDIEHRTIV-DNVCBOLYSA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000411195028 499709593 /nfs/dbraw/zinc/70/95/93/499709593.db2.gz RXCSHYCPZXQQNX-LJQANCHMSA-N 1 2 353.422 3.412 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000411195028 499709594 /nfs/dbraw/zinc/70/95/94/499709594.db2.gz RXCSHYCPZXQQNX-LJQANCHMSA-N 1 2 353.422 3.412 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000411341879 499727645 /nfs/dbraw/zinc/72/76/45/499727645.db2.gz VMCAZOVSSLPYRC-UHFFFAOYSA-N 1 2 374.444 3.133 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)CCC2(C#N)CCCCC2)cc(OC)c1 ZINC000411391355 499733206 /nfs/dbraw/zinc/73/32/06/499733206.db2.gz OCIJVBSXRJBKTP-UHFFFAOYSA-N 1 2 359.470 3.438 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)CCC2(C#N)CCCCC2)cc(OC)c1 ZINC000411391355 499733207 /nfs/dbraw/zinc/73/32/07/499733207.db2.gz OCIJVBSXRJBKTP-UHFFFAOYSA-N 1 2 359.470 3.438 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1cccnc1-n1cc[nH+]c1 ZINC000378040127 499755784 /nfs/dbraw/zinc/75/57/84/499755784.db2.gz LKSZTFUFYLBAMB-UHFFFAOYSA-N 1 2 360.808 3.375 20 30 FGEDLO C=CCc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc(OC)c1O ZINC000414503128 499800065 /nfs/dbraw/zinc/80/00/65/499800065.db2.gz HYFQLMCTPVUSBR-UHFFFAOYSA-N 1 2 353.344 3.228 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213573 499927778 /nfs/dbraw/zinc/92/77/78/499927778.db2.gz JTNYCDNWPYXFOC-DLBZAZTESA-N 1 2 360.820 3.230 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncc(C#N)cc2F)c2ccc(Cl)cc2)C1 ZINC000413213573 499927779 /nfs/dbraw/zinc/92/77/79/499927779.db2.gz JTNYCDNWPYXFOC-DLBZAZTESA-N 1 2 360.820 3.230 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)o1 ZINC000579407981 506166829 /nfs/dbraw/zinc/16/68/29/506166829.db2.gz SIVOGHPBLZSJEQ-GOSISDBHSA-N 1 2 351.450 3.255 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)o1 ZINC000579407981 506166830 /nfs/dbraw/zinc/16/68/30/506166830.db2.gz SIVOGHPBLZSJEQ-GOSISDBHSA-N 1 2 351.450 3.255 20 30 FGEDLO CCOc1cc(C#N)ccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421181706 499985284 /nfs/dbraw/zinc/98/52/84/499985284.db2.gz KIKQXKIHGTWUBF-UHFFFAOYSA-N 1 2 352.434 3.368 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2O1 ZINC000429129140 500008597 /nfs/dbraw/zinc/00/85/97/500008597.db2.gz QTXGJMAJWPLHDX-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2O1 ZINC000429129140 500008599 /nfs/dbraw/zinc/00/85/99/500008599.db2.gz QTXGJMAJWPLHDX-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429234723 500028392 /nfs/dbraw/zinc/02/83/92/500028392.db2.gz HIAXYEJDUGCSJF-DLBZAZTESA-N 1 2 372.488 3.067 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429234723 500028396 /nfs/dbraw/zinc/02/83/96/500028396.db2.gz HIAXYEJDUGCSJF-DLBZAZTESA-N 1 2 372.488 3.067 20 30 FGEDLO Cc1cc(N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425227905 500049865 /nfs/dbraw/zinc/04/98/65/500049865.db2.gz JVOHLNAGTDSZRV-HNNXBMFYSA-N 1 2 368.868 3.195 20 30 FGEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccccc3C#N)ccc2n1C1CC1 ZINC000416482352 500050826 /nfs/dbraw/zinc/05/08/26/500050826.db2.gz XZGVYXSBSXWKEA-UHFFFAOYSA-N 1 2 366.446 3.030 20 30 FGEDLO Cc1cc(N2CCN(c3cccc(Br)c3)CC2)c(C#N)c[nH+]1 ZINC000425255455 500057765 /nfs/dbraw/zinc/05/77/65/500057765.db2.gz PPZARUUCYGBDJR-UHFFFAOYSA-N 1 2 357.255 3.351 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000425424890 500102258 /nfs/dbraw/zinc/10/22/58/500102258.db2.gz NYGLOIDQJKQNDB-MRXNPFEDSA-N 1 2 363.465 3.325 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425534609 500135803 /nfs/dbraw/zinc/13/58/03/500135803.db2.gz MHFKKTVKCGRYCJ-AWEZNQCLSA-N 1 2 353.422 3.166 20 30 FGEDLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425534609 500135806 /nfs/dbraw/zinc/13/58/06/500135806.db2.gz MHFKKTVKCGRYCJ-AWEZNQCLSA-N 1 2 353.422 3.166 20 30 FGEDLO COc1ccccc1[C@@H](CNCc1nc(C#N)cs1)[NH+]1CCCCC1 ZINC000573371379 506181779 /nfs/dbraw/zinc/18/17/79/506181779.db2.gz XBSXBLYRDXPUPM-QGZVFWFLSA-N 1 2 356.495 3.340 20 30 FGEDLO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570518503 506184899 /nfs/dbraw/zinc/18/48/99/506184899.db2.gz CRKBMSHLBDCFTL-HXUWFJFHSA-N 1 2 370.522 3.351 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cn2c1 ZINC000419418080 500363620 /nfs/dbraw/zinc/36/36/20/500363620.db2.gz BCRYVHKPHYJDSM-LJQANCHMSA-N 1 2 359.433 3.391 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(C)[nH+]1 ZINC000419829688 500403816 /nfs/dbraw/zinc/40/38/16/500403816.db2.gz ZYHIMDZMFYMKJH-SFHVURJKSA-N 1 2 362.433 3.011 20 30 FGEDLO C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431705999 500412237 /nfs/dbraw/zinc/41/22/37/500412237.db2.gz AOXHWOMOHRMRAO-WTOYTKOKSA-N 1 2 359.473 3.252 20 30 FGEDLO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431705995 500412512 /nfs/dbraw/zinc/41/25/12/500412512.db2.gz AOXHWOMOHRMRAO-HSQYWUDLSA-N 1 2 359.473 3.252 20 30 FGEDLO N#CCCC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000431819003 500429451 /nfs/dbraw/zinc/42/94/51/500429451.db2.gz WDAHOKBGILCVMF-IBGZPJMESA-N 1 2 365.481 3.496 20 30 FGEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000427777976 500431258 /nfs/dbraw/zinc/43/12/58/500431258.db2.gz LEPCCZQWGJTLLK-UHFFFAOYSA-N 1 2 367.833 3.213 20 30 FGEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000424258400 500476273 /nfs/dbraw/zinc/47/62/73/500476273.db2.gz WYUIHSYDZMYFMM-KRWDZBQOSA-N 1 2 373.526 3.338 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)nn1 ZINC000424299117 500483019 /nfs/dbraw/zinc/48/30/19/500483019.db2.gz UXOBKHVTLKKFRX-HNNXBMFYSA-N 1 2 363.259 3.230 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000428681239 500543035 /nfs/dbraw/zinc/54/30/35/500543035.db2.gz FTTGJTILWNLVNS-UHFFFAOYSA-N 1 2 362.393 3.184 20 30 FGEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874484 500637943 /nfs/dbraw/zinc/63/79/43/500637943.db2.gz NFXDRINMICSFLD-WIYYLYMNSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874484 500637946 /nfs/dbraw/zinc/63/79/46/500637946.db2.gz NFXDRINMICSFLD-WIYYLYMNSA-N 1 2 357.498 3.440 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)c(O)c2)c(C)c1 ZINC000443056688 500670953 /nfs/dbraw/zinc/67/09/53/500670953.db2.gz ZEYJIWBZXJRMPD-LJQANCHMSA-N 1 2 360.417 3.249 20 30 FGEDLO COCC[N@H+](Cc1cncs1)Cc1ccc(C#N)cc1OC(F)F ZINC000447831982 500673224 /nfs/dbraw/zinc/67/32/24/500673224.db2.gz FMZGGWNJCCNYAT-UHFFFAOYSA-N 1 2 353.394 3.265 20 30 FGEDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)cc1OC(F)F ZINC000447831982 500673228 /nfs/dbraw/zinc/67/32/28/500673228.db2.gz FMZGGWNJCCNYAT-UHFFFAOYSA-N 1 2 353.394 3.265 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447875398 500682795 /nfs/dbraw/zinc/68/27/95/500682795.db2.gz QTOINRFSXISYMO-SFHVURJKSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000447875398 500682796 /nfs/dbraw/zinc/68/27/96/500682796.db2.gz QTOINRFSXISYMO-SFHVURJKSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1nc2[nH]ccc2c(N2CCN(c3c(C#N)cnc4ccccc43)CC2)[nH+]1 ZINC000433777336 500742558 /nfs/dbraw/zinc/74/25/58/500742558.db2.gz KKOIOPQGXQNHFU-UHFFFAOYSA-N 1 2 369.432 3.013 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000444230203 500820688 /nfs/dbraw/zinc/82/06/88/500820688.db2.gz YMTOOJOPVGRHAG-UHFFFAOYSA-N 1 2 371.525 3.456 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000444230203 500820691 /nfs/dbraw/zinc/82/06/91/500820691.db2.gz YMTOOJOPVGRHAG-UHFFFAOYSA-N 1 2 371.525 3.456 20 30 FGEDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444595012 500863300 /nfs/dbraw/zinc/86/33/00/500863300.db2.gz VFVQBDYDWNWIKK-UHFFFAOYSA-N 1 2 363.527 3.021 20 30 FGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444676280 500876563 /nfs/dbraw/zinc/87/65/63/500876563.db2.gz NVFFBMYFRRMALZ-MEDUHNTESA-N 1 2 369.375 3.180 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C(N)=O)cc1 ZINC000439646945 500921934 /nfs/dbraw/zinc/92/19/34/500921934.db2.gz WTNBBBRRSSKZDT-ZFWWWQNUSA-N 1 2 362.216 3.115 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)s1 ZINC000435431079 500973894 /nfs/dbraw/zinc/97/38/94/500973894.db2.gz GQTRUKBODYURFN-UHFFFAOYSA-N 1 2 355.444 3.410 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000445738596 501026375 /nfs/dbraw/zinc/02/63/75/501026375.db2.gz HPTSMSUJEKFGJV-QGZVFWFLSA-N 1 2 370.334 3.228 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)s1 ZINC000611622412 506231226 /nfs/dbraw/zinc/23/12/26/506231226.db2.gz HQAHSJIFHCAOEJ-KRWDZBQOSA-N 1 2 361.492 3.026 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)s1 ZINC000611622412 506231234 /nfs/dbraw/zinc/23/12/34/506231234.db2.gz HQAHSJIFHCAOEJ-KRWDZBQOSA-N 1 2 361.492 3.026 20 30 FGEDLO C[C@@H](c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000450462857 501127609 /nfs/dbraw/zinc/12/76/09/501127609.db2.gz JXRIEJBIMFCTNI-INIZCTEOSA-N 1 2 369.431 3.400 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441370344 501129027 /nfs/dbraw/zinc/12/90/27/501129027.db2.gz XIUJURLOSGXEJI-KRWDZBQOSA-N 1 2 361.917 3.219 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441370344 501129028 /nfs/dbraw/zinc/12/90/28/501129028.db2.gz XIUJURLOSGXEJI-KRWDZBQOSA-N 1 2 361.917 3.219 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000449955330 501136782 /nfs/dbraw/zinc/13/67/82/501136782.db2.gz YSMXXIHPFZFSID-LJQANCHMSA-N 1 2 372.419 3.382 20 30 FGEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000441475914 501145114 /nfs/dbraw/zinc/14/51/14/501145114.db2.gz QYVIBWNCPBXKBP-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C#N)cc1 ZINC000441475914 501145117 /nfs/dbraw/zinc/14/51/17/501145117.db2.gz QYVIBWNCPBXKBP-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596071292 506239961 /nfs/dbraw/zinc/23/99/61/506239961.db2.gz OIYADPSTPYCTNG-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000450322058 501233575 /nfs/dbraw/zinc/23/35/75/501233575.db2.gz WWZWWIHXPUHGMZ-UGSOOPFHSA-N 1 2 366.292 3.230 20 30 FGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000450322055 501233734 /nfs/dbraw/zinc/23/37/34/501233734.db2.gz WWZWWIHXPUHGMZ-ACJLOTCBSA-N 1 2 366.292 3.230 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017387 501239402 /nfs/dbraw/zinc/23/94/02/501239402.db2.gz NPSCYUAVYBPQLK-DYVFJYSZSA-N 1 2 373.888 3.361 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017387 501239403 /nfs/dbraw/zinc/23/94/03/501239403.db2.gz NPSCYUAVYBPQLK-DYVFJYSZSA-N 1 2 373.888 3.361 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451160490 501249062 /nfs/dbraw/zinc/24/90/62/501249062.db2.gz UVZHGVDIIVACLF-INIZCTEOSA-N 1 2 360.816 3.149 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451160490 501249063 /nfs/dbraw/zinc/24/90/63/501249063.db2.gz UVZHGVDIIVACLF-INIZCTEOSA-N 1 2 360.816 3.149 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)ncc1C#N ZINC000457630621 501272311 /nfs/dbraw/zinc/27/23/11/501272311.db2.gz WWXHXTXNNSMUHZ-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)c1nnc2n1CCCC2 ZINC000451402292 501283863 /nfs/dbraw/zinc/28/38/63/501283863.db2.gz ISOKRSXHANLBBX-UHFFFAOYSA-N 1 2 374.286 3.273 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000457755280 501302037 /nfs/dbraw/zinc/30/20/37/501302037.db2.gz YUZKNKSUPCKJRJ-LAQRGFTBSA-N 1 2 366.502 3.148 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000457755280 501302039 /nfs/dbraw/zinc/30/20/39/501302039.db2.gz YUZKNKSUPCKJRJ-LAQRGFTBSA-N 1 2 366.502 3.148 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451960496 501408927 /nfs/dbraw/zinc/40/89/27/501408927.db2.gz BVDWCSNLVOGZJJ-LJQANCHMSA-N 1 2 355.388 3.290 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451960496 501408929 /nfs/dbraw/zinc/40/89/29/501408929.db2.gz BVDWCSNLVOGZJJ-LJQANCHMSA-N 1 2 355.388 3.290 20 30 FGEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452034729 501421873 /nfs/dbraw/zinc/42/18/73/501421873.db2.gz FJTYGGFABSXAAS-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452034729 501421874 /nfs/dbraw/zinc/42/18/74/501421874.db2.gz FJTYGGFABSXAAS-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO COc1cc(OC)cc([C@@H](NC(=O)CCCCCC#N)c2[nH+]ccn2C)c1 ZINC000588273991 506255957 /nfs/dbraw/zinc/25/59/57/506255957.db2.gz LFKZZJDXKDFRRQ-LJQANCHMSA-N 1 2 370.453 3.117 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458608233 501486750 /nfs/dbraw/zinc/48/67/50/501486750.db2.gz KWIJNPVMFCEMRD-IAGOWNOFSA-N 1 2 365.905 3.223 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458608233 501486752 /nfs/dbraw/zinc/48/67/52/501486752.db2.gz KWIJNPVMFCEMRD-IAGOWNOFSA-N 1 2 365.905 3.223 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000458807501 501535816 /nfs/dbraw/zinc/53/58/16/501535816.db2.gz FPURXKKVOZRKIN-HOTGVXAUSA-N 1 2 366.481 3.139 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000458807501 501535819 /nfs/dbraw/zinc/53/58/19/501535819.db2.gz FPURXKKVOZRKIN-HOTGVXAUSA-N 1 2 366.481 3.139 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000454601925 501589183 /nfs/dbraw/zinc/58/91/83/501589183.db2.gz QYDRGIQNLSQGSD-UHFFFAOYSA-N 1 2 350.466 3.019 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454736445 501618628 /nfs/dbraw/zinc/61/86/28/501618628.db2.gz BOKYTPFSGQLQHB-UHFFFAOYSA-N 1 2 362.477 3.307 20 30 FGEDLO CCN(CC)C(=O)C1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCCC1 ZINC000459377258 501642193 /nfs/dbraw/zinc/64/21/93/501642193.db2.gz LYYLKJNGXAMIAR-UHFFFAOYSA-N 1 2 358.442 3.127 20 30 FGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000470828138 501819934 /nfs/dbraw/zinc/81/99/34/501819934.db2.gz YWCNAMSNQPREJT-MRXNPFEDSA-N 1 2 359.364 3.204 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)c(OC)c1)Cc1ccccc1Cl ZINC000460607891 501875499 /nfs/dbraw/zinc/87/54/99/501875499.db2.gz RCBQVEMHNKMGDB-UHFFFAOYSA-N 1 2 371.868 3.359 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)c(OC)c1)Cc1ccccc1Cl ZINC000460607891 501875502 /nfs/dbraw/zinc/87/55/02/501875502.db2.gz RCBQVEMHNKMGDB-UHFFFAOYSA-N 1 2 371.868 3.359 20 30 FGEDLO CC(C)n1cc[nH+]c1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470999889 501887452 /nfs/dbraw/zinc/88/74/52/501887452.db2.gz XBUWCNPFMHNRDO-SFHVURJKSA-N 1 2 357.889 3.500 20 30 FGEDLO N#Cc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1F ZINC000468265881 502011181 /nfs/dbraw/zinc/01/11/81/502011181.db2.gz IFVTUSIPDGPOAC-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1F ZINC000468265881 502011184 /nfs/dbraw/zinc/01/11/84/502011184.db2.gz IFVTUSIPDGPOAC-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1F ZINC000468265880 502011276 /nfs/dbraw/zinc/01/12/76/502011276.db2.gz IFVTUSIPDGPOAC-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1F ZINC000468265880 502011280 /nfs/dbraw/zinc/01/12/80/502011280.db2.gz IFVTUSIPDGPOAC-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000478744624 502074483 /nfs/dbraw/zinc/07/44/83/502074483.db2.gz WHTDVFGNKSYIOK-UHFFFAOYSA-N 1 2 371.444 3.292 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000471673199 502105150 /nfs/dbraw/zinc/10/51/50/502105150.db2.gz DAQAXLTVZJHTFO-KRWDZBQOSA-N 1 2 374.847 3.256 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000478910935 502118886 /nfs/dbraw/zinc/11/88/86/502118886.db2.gz SANWQSOXXIRYLC-GOSISDBHSA-N 1 2 362.477 3.489 20 30 FGEDLO C=CCCC1(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)CC1 ZINC000475460654 502178015 /nfs/dbraw/zinc/17/80/15/502178015.db2.gz AYXBIQXALLASJM-UHFFFAOYSA-N 1 2 368.481 3.123 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)s3)CCCC2)no1 ZINC000486681788 502229809 /nfs/dbraw/zinc/22/98/09/502229809.db2.gz JXEVQYDQDVLPEF-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)C(C)(C)c3ccccc3)CC2)ccc1C#N ZINC000486736324 502246213 /nfs/dbraw/zinc/24/62/13/502246213.db2.gz JCCAKFMGYGZUOA-UHFFFAOYSA-N 1 2 361.489 3.489 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000483254343 502329483 /nfs/dbraw/zinc/32/94/83/502329483.db2.gz GDFGIVRFGTUOAE-CYBMUJFWSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000483254343 502329491 /nfs/dbraw/zinc/32/94/91/502329491.db2.gz GDFGIVRFGTUOAE-CYBMUJFWSA-N 1 2 367.417 3.400 20 30 FGEDLO C=C(CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000479663587 502336728 /nfs/dbraw/zinc/33/67/28/502336728.db2.gz ZHZMUSPRDLEWNI-NRFANRHFSA-N 1 2 365.477 3.073 20 30 FGEDLO C=CC[N@H+](Cc1nccn1C(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211284 506312494 /nfs/dbraw/zinc/31/24/94/506312494.db2.gz NRROQSXXQXVRHZ-ZDUSSCGKSA-N 1 2 359.384 3.003 20 30 FGEDLO C=CC[N@@H+](Cc1nccn1C(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211284 506312503 /nfs/dbraw/zinc/31/25/03/506312503.db2.gz NRROQSXXQXVRHZ-ZDUSSCGKSA-N 1 2 359.384 3.003 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483975109 502538239 /nfs/dbraw/zinc/53/82/39/502538239.db2.gz KUARKNLHXOHCQZ-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483975109 502538242 /nfs/dbraw/zinc/53/82/42/502538242.db2.gz KUARKNLHXOHCQZ-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466827667 502696753 /nfs/dbraw/zinc/69/67/53/502696753.db2.gz VFHNWEKXLJWZSG-INIZCTEOSA-N 1 2 368.506 3.251 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000484986249 502792908 /nfs/dbraw/zinc/79/29/08/502792908.db2.gz UYWHJZAGRMFLFS-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO Cc1ccc(C[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000485016175 502802382 /nfs/dbraw/zinc/80/23/82/502802382.db2.gz JBRJBWNQIIZLNF-LJQANCHMSA-N 1 2 361.489 3.390 20 30 FGEDLO CC(C)(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cc(F)cc(C#N)c1 ZINC000505254482 502877665 /nfs/dbraw/zinc/87/76/65/502877665.db2.gz NEAGRFRGKLPRTN-UHFFFAOYSA-N 1 2 366.440 3.287 20 30 FGEDLO Cn1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000489236191 502907942 /nfs/dbraw/zinc/90/79/42/502907942.db2.gz KRRFUEJQZXBKGO-UHFFFAOYSA-N 1 2 362.408 3.492 20 30 FGEDLO Cn1cc(C[N@H+]2CCOc3ccc(F)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000489236191 502907945 /nfs/dbraw/zinc/90/79/45/502907945.db2.gz KRRFUEJQZXBKGO-UHFFFAOYSA-N 1 2 362.408 3.492 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896489 506341822 /nfs/dbraw/zinc/34/18/22/506341822.db2.gz RRLUBSOVYOYWPQ-NRFANRHFSA-N 1 2 374.444 3.221 20 30 FGEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000509633950 502954373 /nfs/dbraw/zinc/95/43/73/502954373.db2.gz KMOVXKVEOBEHOJ-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO COC(=O)[C@@H](c1cccc(OC)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907706 506346547 /nfs/dbraw/zinc/34/65/47/506346547.db2.gz SGRPKCQOFYTYJS-HXUWFJFHSA-N 1 2 365.433 3.056 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000505959462 503020715 /nfs/dbraw/zinc/02/07/15/503020715.db2.gz HECGDCFASSKVPL-UHFFFAOYSA-N 1 2 368.799 3.346 20 30 FGEDLO COc1cccc(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000514075775 503080845 /nfs/dbraw/zinc/08/08/45/503080845.db2.gz LRGADSZKGSFFNH-ZUOKHONESA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cccc(Cl)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000514075775 503080849 /nfs/dbraw/zinc/08/08/49/503080849.db2.gz LRGADSZKGSFFNH-ZUOKHONESA-N 1 2 367.836 3.194 20 30 FGEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031198 503094481 /nfs/dbraw/zinc/09/44/81/503094481.db2.gz AAHPOKKPTJZFIA-UTKZUKDTSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031198 503094482 /nfs/dbraw/zinc/09/44/82/503094482.db2.gz AAHPOKKPTJZFIA-UTKZUKDTSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031199 503094500 /nfs/dbraw/zinc/09/45/00/503094500.db2.gz AAHPOKKPTJZFIA-UWJYYQICSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031199 503094502 /nfs/dbraw/zinc/09/45/02/503094502.db2.gz AAHPOKKPTJZFIA-UWJYYQICSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490047995 503099009 /nfs/dbraw/zinc/09/90/09/503099009.db2.gz SHKULTZZQMKNOJ-FUHWJXTLSA-N 1 2 372.513 3.042 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490047995 503099010 /nfs/dbraw/zinc/09/90/10/503099010.db2.gz SHKULTZZQMKNOJ-FUHWJXTLSA-N 1 2 372.513 3.042 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000490053714 503100192 /nfs/dbraw/zinc/10/01/92/503100192.db2.gz MIBOVUBHKNFBFN-FUHWJXTLSA-N 1 2 351.878 3.014 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000490053714 503100193 /nfs/dbraw/zinc/10/01/93/503100193.db2.gz MIBOVUBHKNFBFN-FUHWJXTLSA-N 1 2 351.878 3.014 20 30 FGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000506434460 503114715 /nfs/dbraw/zinc/11/47/15/503114715.db2.gz TTZFKMXXXPIYED-UHFFFAOYSA-N 1 2 358.392 3.185 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000514231565 503120771 /nfs/dbraw/zinc/12/07/71/503120771.db2.gz ZVVUOJBRFVGKED-HSZRJFAPSA-N 1 2 370.456 3.081 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000514231565 503120774 /nfs/dbraw/zinc/12/07/74/503120774.db2.gz ZVVUOJBRFVGKED-HSZRJFAPSA-N 1 2 370.456 3.081 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000514670588 503162667 /nfs/dbraw/zinc/16/26/67/503162667.db2.gz RJPVDRBUBHCCET-INIZCTEOSA-N 1 2 368.506 3.403 20 30 FGEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510913319 503216944 /nfs/dbraw/zinc/21/69/44/503216944.db2.gz DGZXTIFHEMBYPE-UHFFFAOYSA-N 1 2 358.244 3.279 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000510963847 503226141 /nfs/dbraw/zinc/22/61/41/503226141.db2.gz AZFRJZJOYPFUMP-CQSZACIVSA-N 1 2 371.334 3.018 20 30 FGEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCc2ccccc21 ZINC000511590685 503350710 /nfs/dbraw/zinc/35/07/10/503350710.db2.gz GBQYFTGAKKYNQM-DEOSSOPVSA-N 1 2 373.500 3.497 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000492627942 503377977 /nfs/dbraw/zinc/37/79/77/503377977.db2.gz LJGSBJJRCCRORN-KRWDZBQOSA-N 1 2 363.933 3.443 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000492627942 503377980 /nfs/dbraw/zinc/37/79/80/503377980.db2.gz LJGSBJJRCCRORN-KRWDZBQOSA-N 1 2 363.933 3.443 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000492742993 503382774 /nfs/dbraw/zinc/38/27/74/503382774.db2.gz FRLKGXHTPSXRDS-UHFFFAOYSA-N 1 2 366.421 3.187 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(Br)s2)C1=O ZINC000499618487 503444977 /nfs/dbraw/zinc/44/49/77/503444977.db2.gz JQQPWWDDIIKXDY-NWDGAFQWSA-N 1 2 355.301 3.434 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1=O ZINC000499618487 503444981 /nfs/dbraw/zinc/44/49/81/503444981.db2.gz JQQPWWDDIIKXDY-NWDGAFQWSA-N 1 2 355.301 3.434 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602977341 506372241 /nfs/dbraw/zinc/37/22/41/506372241.db2.gz ADUJMHMHIYTBNS-XHDPSFHLSA-N 1 2 357.351 3.085 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602977341 506372243 /nfs/dbraw/zinc/37/22/43/506372243.db2.gz ADUJMHMHIYTBNS-XHDPSFHLSA-N 1 2 357.351 3.085 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512170419 503475246 /nfs/dbraw/zinc/47/52/46/503475246.db2.gz CSZAZONHLRIXQE-MRXNPFEDSA-N 1 2 371.481 3.327 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000512171019 503475833 /nfs/dbraw/zinc/47/58/33/503475833.db2.gz VNVWGEKMPQRBAI-FQEVSTJZSA-N 1 2 354.450 3.346 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000512171019 503475834 /nfs/dbraw/zinc/47/58/34/503475834.db2.gz VNVWGEKMPQRBAI-FQEVSTJZSA-N 1 2 354.450 3.346 20 30 FGEDLO CC(C)n1nccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000499774925 503479457 /nfs/dbraw/zinc/47/94/57/503479457.db2.gz RYIGJLWIBASXSE-LJQANCHMSA-N 1 2 357.889 3.500 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000512199064 503484317 /nfs/dbraw/zinc/48/43/17/503484317.db2.gz UOCCYGCAQOTWSR-IBGZPJMESA-N 1 2 358.413 3.095 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000512199064 503484318 /nfs/dbraw/zinc/48/43/18/503484318.db2.gz UOCCYGCAQOTWSR-IBGZPJMESA-N 1 2 358.413 3.095 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000512214292 503487658 /nfs/dbraw/zinc/48/76/58/503487658.db2.gz RFWVOCBNVSOBQX-CYBMUJFWSA-N 1 2 363.845 3.226 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000512214292 503487662 /nfs/dbraw/zinc/48/76/62/503487662.db2.gz RFWVOCBNVSOBQX-CYBMUJFWSA-N 1 2 363.845 3.226 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000512224441 503491157 /nfs/dbraw/zinc/49/11/57/503491157.db2.gz BXBLMOGXHPIBDR-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000512224441 503491163 /nfs/dbraw/zinc/49/11/63/503491163.db2.gz BXBLMOGXHPIBDR-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000504039256 503514705 /nfs/dbraw/zinc/51/47/05/503514705.db2.gz UXDYMDXQLUPWFJ-UHFFFAOYSA-N 1 2 362.433 3.016 20 30 FGEDLO Cc1cc(=NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)[nH]n1CCC#N ZINC000504128820 503527495 /nfs/dbraw/zinc/52/74/95/503527495.db2.gz BLYKPCMINDJOFY-UHFFFAOYSA-N 1 2 361.405 3.275 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500024722 503535583 /nfs/dbraw/zinc/53/55/83/503535583.db2.gz MQRDSQKPQJZWRF-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500024722 503535586 /nfs/dbraw/zinc/53/55/86/503535586.db2.gz MQRDSQKPQJZWRF-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO C[C@H](C[N@H+](CCC#N)CCN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120880 503559865 /nfs/dbraw/zinc/55/98/65/503559865.db2.gz YMWSOUJUWDRDJC-MRXNPFEDSA-N 1 2 369.431 3.357 20 30 FGEDLO C[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120880 503559869 /nfs/dbraw/zinc/55/98/69/503559869.db2.gz YMWSOUJUWDRDJC-MRXNPFEDSA-N 1 2 369.431 3.357 20 30 FGEDLO C[C@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120880 503559874 /nfs/dbraw/zinc/55/98/74/503559874.db2.gz YMWSOUJUWDRDJC-MRXNPFEDSA-N 1 2 369.431 3.357 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000512690208 503613454 /nfs/dbraw/zinc/61/34/54/503613454.db2.gz HJXYDETYZMVCCE-RTBURBONSA-N 1 2 355.388 3.320 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000512690208 503613457 /nfs/dbraw/zinc/61/34/57/503613457.db2.gz HJXYDETYZMVCCE-RTBURBONSA-N 1 2 355.388 3.320 20 30 FGEDLO Cc1nc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000512694636 503614884 /nfs/dbraw/zinc/61/48/84/503614884.db2.gz BQYWVZLNORNJDJ-UHFFFAOYSA-N 1 2 370.456 3.373 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000512828351 503641464 /nfs/dbraw/zinc/64/14/64/503641464.db2.gz PGBSCGRNAQVARE-KBXCAEBGSA-N 1 2 369.490 3.120 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000512828351 503641466 /nfs/dbraw/zinc/64/14/66/503641466.db2.gz PGBSCGRNAQVARE-KBXCAEBGSA-N 1 2 369.490 3.120 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512922717 503657093 /nfs/dbraw/zinc/65/70/93/503657093.db2.gz LTSJAFVALHAQTK-QGZVFWFLSA-N 1 2 364.440 3.293 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527190530 503712390 /nfs/dbraw/zinc/71/23/90/503712390.db2.gz LKSIGVWAASXMKI-QGZVFWFLSA-N 1 2 363.461 3.208 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000533205247 503759938 /nfs/dbraw/zinc/75/99/38/503759938.db2.gz XKZAILKJLDCRQV-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000533303839 503800595 /nfs/dbraw/zinc/80/05/95/503800595.db2.gz FIQDMNDYZBUQFF-SFHVURJKSA-N 1 2 367.497 3.287 20 30 FGEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cn1 ZINC000533303839 503800599 /nfs/dbraw/zinc/80/05/99/503800599.db2.gz FIQDMNDYZBUQFF-SFHVURJKSA-N 1 2 367.497 3.287 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 ZINC000543544201 503807333 /nfs/dbraw/zinc/80/73/33/503807333.db2.gz WURWSNTWGPBOJW-LBPRGKRZSA-N 1 2 370.457 3.072 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1Cl ZINC000537166472 503824649 /nfs/dbraw/zinc/82/46/49/503824649.db2.gz JTESCAVYCJGPRR-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccc(O)cc3C2)c1C ZINC000533395590 503829212 /nfs/dbraw/zinc/82/92/12/503829212.db2.gz IAAOXRMLHZAXDT-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3ccc(O)cc3C2)c1C ZINC000533395590 503829215 /nfs/dbraw/zinc/82/92/15/503829215.db2.gz IAAOXRMLHZAXDT-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000533440977 503847170 /nfs/dbraw/zinc/84/71/70/503847170.db2.gz UIANXVMMFQUWOO-WSTZPKSXSA-N 1 2 357.498 3.438 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H](C)O1 ZINC000533440977 503847173 /nfs/dbraw/zinc/84/71/73/503847173.db2.gz UIANXVMMFQUWOO-WSTZPKSXSA-N 1 2 357.498 3.438 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533508031 503868968 /nfs/dbraw/zinc/86/89/68/503868968.db2.gz GZURQQWAFVWGIU-HNNXBMFYSA-N 1 2 369.387 3.244 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533508031 503868970 /nfs/dbraw/zinc/86/89/70/503868970.db2.gz GZURQQWAFVWGIU-HNNXBMFYSA-N 1 2 369.387 3.244 20 30 FGEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]2C ZINC000543809164 503900816 /nfs/dbraw/zinc/90/08/16/503900816.db2.gz CRVYDDKTRJUNMP-JKSUJKDBSA-N 1 2 355.482 3.345 20 30 FGEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]2C ZINC000543809164 503900818 /nfs/dbraw/zinc/90/08/18/503900818.db2.gz CRVYDDKTRJUNMP-JKSUJKDBSA-N 1 2 355.482 3.345 20 30 FGEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]2C ZINC000543809161 503900858 /nfs/dbraw/zinc/90/08/58/503900858.db2.gz CRVYDDKTRJUNMP-CVEARBPZSA-N 1 2 355.482 3.345 20 30 FGEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]2C ZINC000543809161 503900860 /nfs/dbraw/zinc/90/08/60/503900860.db2.gz CRVYDDKTRJUNMP-CVEARBPZSA-N 1 2 355.482 3.345 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000533631537 503907139 /nfs/dbraw/zinc/90/71/39/503907139.db2.gz OTURJDOXTAUGGC-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000540884105 503924497 /nfs/dbraw/zinc/92/44/97/503924497.db2.gz ZZKIYFCFNBTJEM-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540884920 503925376 /nfs/dbraw/zinc/92/53/76/503925376.db2.gz JGZLEVGUBZPGSJ-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1C#N ZINC000533758533 503944757 /nfs/dbraw/zinc/94/47/57/503944757.db2.gz GOVMDUVOVZFFER-SFHVURJKSA-N 1 2 364.401 3.411 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1C#N ZINC000533758533 503944759 /nfs/dbraw/zinc/94/47/59/503944759.db2.gz GOVMDUVOVZFFER-SFHVURJKSA-N 1 2 364.401 3.411 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848298 504078078 /nfs/dbraw/zinc/07/80/78/504078078.db2.gz ADNKGFHPUAPYPZ-CHWSQXEVSA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848298 504078081 /nfs/dbraw/zinc/07/80/81/504078081.db2.gz ADNKGFHPUAPYPZ-CHWSQXEVSA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000534526166 504166289 /nfs/dbraw/zinc/16/62/89/504166289.db2.gz RTFZXOAMWQESRK-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)COc1ccccc1C#N)CC3 ZINC000528413941 504214024 /nfs/dbraw/zinc/21/40/24/504214024.db2.gz NQWPHYJDNSFNQK-QGZVFWFLSA-N 1 2 361.445 3.146 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC3 ZINC000528413941 504214029 /nfs/dbraw/zinc/21/40/29/504214029.db2.gz NQWPHYJDNSFNQK-QGZVFWFLSA-N 1 2 361.445 3.146 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C#N)nc3)[nH+]c12 ZINC000544701319 504224922 /nfs/dbraw/zinc/22/49/22/504224922.db2.gz OTOFQSHHCQAXOM-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000541949259 504312894 /nfs/dbraw/zinc/31/28/94/504312894.db2.gz SQIMGTNVARLVMN-UHFFFAOYSA-N 1 2 363.845 3.065 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(Cl)cc1 ZINC000541963829 504317872 /nfs/dbraw/zinc/31/78/72/504317872.db2.gz BNSDTAAHMXYOAW-QGZVFWFLSA-N 1 2 371.872 3.498 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c1C ZINC000531493548 504327247 /nfs/dbraw/zinc/32/72/47/504327247.db2.gz MANJPBJFNJWOGS-UHFFFAOYSA-N 1 2 358.511 3.142 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3nccs3)CC2)c1C ZINC000531493548 504327254 /nfs/dbraw/zinc/32/72/54/504327254.db2.gz MANJPBJFNJWOGS-UHFFFAOYSA-N 1 2 358.511 3.142 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761287 504368325 /nfs/dbraw/zinc/36/83/25/504368325.db2.gz HBCVRFUJQSMSPH-MRXNPFEDSA-N 1 2 373.460 3.189 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788620 504372299 /nfs/dbraw/zinc/37/22/99/504372299.db2.gz QUWJLGMBPXPLSO-GJZGRUSLSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788620 504372303 /nfs/dbraw/zinc/37/23/03/504372303.db2.gz QUWJLGMBPXPLSO-GJZGRUSLSA-N 1 2 351.425 3.321 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542248231 504422497 /nfs/dbraw/zinc/42/24/97/504422497.db2.gz AGOSZKUKYWRWMP-GFCCVEGCSA-N 1 2 370.316 3.410 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000542248231 504422500 /nfs/dbraw/zinc/42/25/00/504422500.db2.gz AGOSZKUKYWRWMP-GFCCVEGCSA-N 1 2 370.316 3.410 20 30 FGEDLO Cc1cc(Br)cn2cc(CNc3nnc(C)c(C)c3C#N)[nH+]c12 ZINC000545345023 504453532 /nfs/dbraw/zinc/45/35/32/504453532.db2.gz QKFBYIBRSSOHKM-UHFFFAOYSA-N 1 2 371.242 3.296 20 30 FGEDLO CN(C(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)C1(C#N)CCCCC1 ZINC000548677361 504524213 /nfs/dbraw/zinc/52/42/13/504524213.db2.gz WSCYEVYIHVCUEA-SFHVURJKSA-N 1 2 369.513 3.110 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000542587105 504546806 /nfs/dbraw/zinc/54/68/06/504546806.db2.gz MUZKUBYWUZEFNX-ZDUSSCGKSA-N 1 2 356.495 3.279 20 30 FGEDLO C=CCNC(=O)c1cccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)c1 ZINC000545651122 504552831 /nfs/dbraw/zinc/55/28/31/504552831.db2.gz LJBWYFHLWGRPGO-UHFFFAOYSA-N 1 2 373.416 3.314 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000529212937 504586816 /nfs/dbraw/zinc/58/68/16/504586816.db2.gz PPEVNMUBCCZAQV-KDOFPFPSSA-N 1 2 353.426 3.016 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000536036036 504614628 /nfs/dbraw/zinc/61/46/28/504614628.db2.gz SWKKAXMXVJNPRM-IBGZPJMESA-N 1 2 356.470 3.133 20 30 FGEDLO Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000543137095 504738307 /nfs/dbraw/zinc/73/83/07/504738307.db2.gz MMYFDNOODJSTRD-ROUUACIJSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000543137095 504738309 /nfs/dbraw/zinc/73/83/09/504738309.db2.gz MMYFDNOODJSTRD-ROUUACIJSA-N 1 2 356.857 3.399 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532729750 504747412 /nfs/dbraw/zinc/74/74/12/504747412.db2.gz KWOMAZXMBRWQBH-ZGOJQLDESA-N 1 2 355.482 3.070 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532729750 504747414 /nfs/dbraw/zinc/74/74/14/504747414.db2.gz KWOMAZXMBRWQBH-ZGOJQLDESA-N 1 2 355.482 3.070 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000562361563 504795099 /nfs/dbraw/zinc/79/50/99/504795099.db2.gz KMELIXULUNYZEK-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)n1 ZINC000552974201 504797078 /nfs/dbraw/zinc/79/70/78/504797078.db2.gz UDWPBTRHXIAFAZ-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000559349746 504843108 /nfs/dbraw/zinc/84/31/08/504843108.db2.gz LRMARIDXAWTKOJ-ZFWWWQNUSA-N 1 2 366.465 3.253 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000559349746 504843111 /nfs/dbraw/zinc/84/31/11/504843111.db2.gz LRMARIDXAWTKOJ-ZFWWWQNUSA-N 1 2 366.465 3.253 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000565333158 504856475 /nfs/dbraw/zinc/85/64/75/504856475.db2.gz WJXPVHWYFHIDPU-CQSZACIVSA-N 1 2 352.772 3.457 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(OC(F)F)c1 ZINC000565333158 504856480 /nfs/dbraw/zinc/85/64/80/504856480.db2.gz WJXPVHWYFHIDPU-CQSZACIVSA-N 1 2 352.772 3.457 20 30 FGEDLO C=CCOc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000553244150 504862851 /nfs/dbraw/zinc/86/28/51/504862851.db2.gz OHNIUCGAYXZRDV-QGZVFWFLSA-N 1 2 354.454 3.005 20 30 FGEDLO C=CCOc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000553244150 504862857 /nfs/dbraw/zinc/86/28/57/504862857.db2.gz OHNIUCGAYXZRDV-QGZVFWFLSA-N 1 2 354.454 3.005 20 30 FGEDLO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1c(F)cccc1F ZINC000553429052 504912721 /nfs/dbraw/zinc/91/27/21/504912721.db2.gz MRFNVZQLQGDKSZ-OAHLLOKOSA-N 1 2 361.352 3.042 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000553442119 504916160 /nfs/dbraw/zinc/91/61/60/504916160.db2.gz AEUHOJFEMQKBJH-UHFFFAOYSA-N 1 2 351.454 3.259 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560389672 505068665 /nfs/dbraw/zinc/06/86/65/505068665.db2.gz VSAIOLJRJVSCOO-GJJHYRHESA-N 1 2 373.497 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560389672 505068669 /nfs/dbraw/zinc/06/86/69/505068669.db2.gz VSAIOLJRJVSCOO-GJJHYRHESA-N 1 2 373.497 3.151 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1C#N ZINC000557479413 505146429 /nfs/dbraw/zinc/14/64/29/505146429.db2.gz YJDGFVXHISEGPJ-UHFFFAOYSA-N 1 2 362.886 3.178 20 30 FGEDLO Cc1cc[nH+]c(NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1Cl ZINC000557517396 505154760 /nfs/dbraw/zinc/15/47/60/505154760.db2.gz CDGVYGKBOZDHFT-UHFFFAOYSA-N 1 2 366.856 3.150 20 30 FGEDLO FC(F)(F)C1=CCN(CC#CC[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000563554698 505175269 /nfs/dbraw/zinc/17/52/69/505175269.db2.gz PIVPKOUCUMQANR-UHFFFAOYSA-N 1 2 352.322 3.379 20 30 FGEDLO FC(F)(F)C1=CCN(CC#CC[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000563554698 505175271 /nfs/dbraw/zinc/17/52/71/505175271.db2.gz PIVPKOUCUMQANR-UHFFFAOYSA-N 1 2 352.322 3.379 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1F ZINC000551388264 505215633 /nfs/dbraw/zinc/21/56/33/505215633.db2.gz FCOQTNMUCJBWIO-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1F ZINC000551388264 505215635 /nfs/dbraw/zinc/21/56/35/505215635.db2.gz FCOQTNMUCJBWIO-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO Cc1ccc2[nH+]c(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)cn2c1 ZINC000554800960 505267863 /nfs/dbraw/zinc/26/78/63/505267863.db2.gz KGWKODIVCSZQJK-UHFFFAOYSA-N 1 2 370.460 3.474 20 30 FGEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551710956 505289047 /nfs/dbraw/zinc/28/90/47/505289047.db2.gz HLCXMUXAVJZSJI-UHFFFAOYSA-N 1 2 354.294 3.458 20 30 FGEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551710956 505289051 /nfs/dbraw/zinc/28/90/51/505289051.db2.gz HLCXMUXAVJZSJI-UHFFFAOYSA-N 1 2 354.294 3.458 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c1C#N ZINC000551748237 505297147 /nfs/dbraw/zinc/29/71/47/505297147.db2.gz NOLBWWZMSYBIIM-UHFFFAOYSA-N 1 2 353.397 3.201 20 30 FGEDLO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566917238 505310957 /nfs/dbraw/zinc/31/09/57/505310957.db2.gz BGYQBGJKMNIIRU-JOCHJYFZSA-N 1 2 364.493 3.287 20 30 FGEDLO C[C@@H]1CCC[C@@H](OCc2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)C1 ZINC000567043384 505347715 /nfs/dbraw/zinc/34/77/15/505347715.db2.gz TWPRDMCKCDTHRV-JRGCBEDISA-N 1 2 359.514 3.400 20 30 FGEDLO C[C@@H]1CCC[C@@H](OCc2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)C1 ZINC000567043384 505347717 /nfs/dbraw/zinc/34/77/17/505347717.db2.gz TWPRDMCKCDTHRV-JRGCBEDISA-N 1 2 359.514 3.400 20 30 FGEDLO CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000558337687 505363297 /nfs/dbraw/zinc/36/32/97/505363297.db2.gz JWMOLARKVSKQRR-FQEVSTJZSA-N 1 2 362.477 3.181 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000567147378 505376919 /nfs/dbraw/zinc/37/69/19/505376919.db2.gz JWLVFLDKYOHHRX-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000567147378 505376921 /nfs/dbraw/zinc/37/69/21/505376921.db2.gz JWLVFLDKYOHHRX-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000567318148 505425526 /nfs/dbraw/zinc/42/55/26/505425526.db2.gz VGVCYUHMCONFSM-SFHVURJKSA-N 1 2 371.308 3.007 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc1 ZINC000564528194 505442185 /nfs/dbraw/zinc/44/21/85/505442185.db2.gz GBLNWKSHAXKEPF-UHFFFAOYSA-N 1 2 371.366 3.166 20 30 FGEDLO CC1(C)C[N@H+](CCOCC(F)(F)C(F)F)C[C@@](C)(C(F)(F)F)O1 ZINC000555605988 505471844 /nfs/dbraw/zinc/47/18/44/505471844.db2.gz YVODHCBCZJAQQN-NSHDSACASA-N 1 2 355.294 3.335 20 30 FGEDLO CC1(C)C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@](C)(C(F)(F)F)O1 ZINC000555605988 505471846 /nfs/dbraw/zinc/47/18/46/505471846.db2.gz YVODHCBCZJAQQN-NSHDSACASA-N 1 2 355.294 3.335 20 30 FGEDLO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCn2cc[nH+]c2C1 ZINC000564625302 505473741 /nfs/dbraw/zinc/47/37/41/505473741.db2.gz PPCWUSVCEXIELH-UHFFFAOYSA-N 1 2 368.872 3.315 20 30 FGEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558996714 505547725 /nfs/dbraw/zinc/54/77/25/505547725.db2.gz PODXHFMKPXYQCS-UHFFFAOYSA-N 1 2 360.465 3.243 20 30 FGEDLO CC(C)[C@@H](CNc1c(C#N)cnc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000564892724 505551493 /nfs/dbraw/zinc/55/14/93/505551493.db2.gz NPFQBAPTIRJFGD-GOSISDBHSA-N 1 2 371.916 3.444 20 30 FGEDLO CCOc1ccccc1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980076 506401985 /nfs/dbraw/zinc/40/19/85/506401985.db2.gz OHRHQMVVFALXPA-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO CCOc1ccccc1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980076 506401994 /nfs/dbraw/zinc/40/19/94/506401994.db2.gz OHRHQMVVFALXPA-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000603273785 506474305 /nfs/dbraw/zinc/47/43/05/506474305.db2.gz XLYRMBLQYTWUPP-UHFFFAOYSA-N 1 2 366.465 3.329 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000603290035 506479060 /nfs/dbraw/zinc/47/90/60/506479060.db2.gz VPQHWEHRHDCZCW-UHFFFAOYSA-N 1 2 368.359 3.092 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)c1C#N ZINC000589285186 506507461 /nfs/dbraw/zinc/50/74/61/506507461.db2.gz VYWXTYJIQJGCFQ-UHFFFAOYSA-N 1 2 356.495 3.433 20 30 FGEDLO N#Cc1nc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)sc1Cl ZINC000603418224 506508635 /nfs/dbraw/zinc/50/86/35/506508635.db2.gz DOWPYLJCKAIWRU-UHFFFAOYSA-N 1 2 373.791 3.409 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1C#N ZINC000599589883 506517577 /nfs/dbraw/zinc/51/75/77/506517577.db2.gz OSPXJMQXEFTWQU-GOEBONIOSA-N 1 2 372.465 3.145 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1C#N ZINC000599589883 506517582 /nfs/dbraw/zinc/51/75/82/506517582.db2.gz OSPXJMQXEFTWQU-GOEBONIOSA-N 1 2 372.465 3.145 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1F ZINC000593301526 506524569 /nfs/dbraw/zinc/52/45/69/506524569.db2.gz DVAWJRZQRMOVRD-MRXNPFEDSA-N 1 2 355.417 3.032 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccccc1 ZINC000608395057 506541215 /nfs/dbraw/zinc/54/12/15/506541215.db2.gz DNHXFPGGVYCDMI-FQEVSTJZSA-N 1 2 358.445 3.055 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635140 506542513 /nfs/dbraw/zinc/54/25/13/506542513.db2.gz NBXMYLAMLNMZMH-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635140 506542516 /nfs/dbraw/zinc/54/25/16/506542516.db2.gz NBXMYLAMLNMZMH-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2c(O)cccc2C1)c1cccc(Cl)c1 ZINC000599648274 506550168 /nfs/dbraw/zinc/55/01/68/506550168.db2.gz WMFXGWVZIHDDAJ-UHFFFAOYSA-N 1 2 369.852 3.351 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2c(O)cccc2C1)c1cccc(Cl)c1 ZINC000599648274 506550172 /nfs/dbraw/zinc/55/01/72/506550172.db2.gz WMFXGWVZIHDDAJ-UHFFFAOYSA-N 1 2 369.852 3.351 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000593465358 506635435 /nfs/dbraw/zinc/63/54/35/506635435.db2.gz QRDCSFGIMAEJPU-FXAWDEMLSA-N 1 2 351.454 3.039 20 30 FGEDLO N#Cc1c(F)cccc1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589984783 506695834 /nfs/dbraw/zinc/69/58/34/506695834.db2.gz ZTHWVLCXNFEWFE-HXUWFJFHSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000590022681 506708567 /nfs/dbraw/zinc/70/85/67/506708567.db2.gz YAEXJVMIHUMHSK-SFHVURJKSA-N 1 2 350.466 3.301 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000590022681 506708575 /nfs/dbraw/zinc/70/85/75/506708575.db2.gz YAEXJVMIHUMHSK-SFHVURJKSA-N 1 2 350.466 3.301 20 30 FGEDLO Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000596996323 506721965 /nfs/dbraw/zinc/72/19/65/506721965.db2.gz RWIJZJNUQSVMAZ-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000590134695 506745374 /nfs/dbraw/zinc/74/53/74/506745374.db2.gz LFPHBEJQJVRIEW-UHFFFAOYSA-N 1 2 351.372 3.043 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276971 506771548 /nfs/dbraw/zinc/77/15/48/506771548.db2.gz ZRTLUFGREAMOQX-GVXVVHGQSA-N 1 2 373.341 3.104 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)c2ccc3[nH+]ccn3c2)c(C#N)c1C ZINC000609125478 506783669 /nfs/dbraw/zinc/78/36/69/506783669.db2.gz VEUNTSOHOHFREQ-UHFFFAOYSA-N 1 2 354.391 3.005 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000600118165 506785612 /nfs/dbraw/zinc/78/56/12/506785612.db2.gz RUAJOCJJURQBFF-UHFFFAOYSA-N 1 2 369.288 3.263 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000600118165 506785616 /nfs/dbraw/zinc/78/56/16/506785616.db2.gz RUAJOCJJURQBFF-UHFFFAOYSA-N 1 2 369.288 3.263 20 30 FGEDLO N#CCn1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc2ccccc21 ZINC000609161082 506799326 /nfs/dbraw/zinc/79/93/26/506799326.db2.gz KNGYECQXEDYTCD-UHFFFAOYSA-N 1 2 363.808 3.396 20 30 FGEDLO Cc1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000593989141 506867430 /nfs/dbraw/zinc/86/74/30/506867430.db2.gz JUHZNSISAMMTSW-ZDUSSCGKSA-N 1 2 374.448 3.277 20 30 FGEDLO CCc1csc(CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000594019667 506887060 /nfs/dbraw/zinc/88/70/60/506887060.db2.gz PRLZQFFHKYDVFY-LJQANCHMSA-N 1 2 368.506 3.058 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000609486369 506896819 /nfs/dbraw/zinc/89/68/19/506896819.db2.gz JBYVAVQJBWQCBS-LAUBAEHRSA-N 1 2 364.493 3.333 20 30 FGEDLO C[C@@](C#N)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000590668706 506901557 /nfs/dbraw/zinc/90/15/57/506901557.db2.gz SATBLFWBSKZLCP-IBGZPJMESA-N 1 2 367.409 3.373 20 30 FGEDLO Cc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nc(C2CC2)[nH+]1 ZINC000609704049 506979286 /nfs/dbraw/zinc/97/92/86/506979286.db2.gz YQNPZSJWCDEMGU-INIZCTEOSA-N 1 2 351.429 3.176 20 30 FGEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000609921280 507050685 /nfs/dbraw/zinc/05/06/85/507050685.db2.gz GETGVLLATSZVAH-BBRMVZONSA-N 1 2 364.287 3.204 20 30 FGEDLO C[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609986212 507062392 /nfs/dbraw/zinc/06/23/92/507062392.db2.gz ZRRXOBBYEIKMFX-KRWDZBQOSA-N 1 2 365.452 3.220 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3nc(C(C)(C)C)ccc3C#N)c[nH+]2)CCO1 ZINC000613412035 507076363 /nfs/dbraw/zinc/07/63/63/507076363.db2.gz CVVITGHPDHUEQP-OAHLLOKOSA-N 1 2 365.481 3.483 20 30 FGEDLO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000594467055 507144343 /nfs/dbraw/zinc/14/43/43/507144343.db2.gz FLKWIMVOMJSQMR-JTQLQIEISA-N 1 2 360.639 3.158 20 30 FGEDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000610389657 507221729 /nfs/dbraw/zinc/22/17/29/507221729.db2.gz AKFUQQBWVYBQGW-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000610430993 507235878 /nfs/dbraw/zinc/23/58/78/507235878.db2.gz BOBBTJHYMVYIBY-ROUUACIJSA-N 1 2 362.437 3.381 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000594714381 507250371 /nfs/dbraw/zinc/25/03/71/507250371.db2.gz YVYJUEJTSNCQMZ-KBPBESRZSA-N 1 2 358.467 3.138 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)c1C#N ZINC000584382991 507313187 /nfs/dbraw/zinc/31/31/87/507313187.db2.gz XAMYRRYBCBUKOL-IHWYPQMZSA-N 1 2 360.433 3.437 20 30 FGEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3cc(C#N)cs3)CCCCCC2)no1 ZINC000610712260 507359509 /nfs/dbraw/zinc/35/95/09/507359509.db2.gz RAHQCNBBWFIRIG-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO COc1cccc([C@@H](Nc2ncc3c(c2C#N)CCC3)c2[nH+]ccn2C)c1 ZINC000591817917 507376986 /nfs/dbraw/zinc/37/69/86/507376986.db2.gz CYXZPCHGHZHJSC-LJQANCHMSA-N 1 2 359.433 3.386 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176837 507397362 /nfs/dbraw/zinc/39/73/62/507397362.db2.gz NTLWBVHFTMWTAU-LJQANCHMSA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176837 507397369 /nfs/dbraw/zinc/39/73/69/507397369.db2.gz NTLWBVHFTMWTAU-LJQANCHMSA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1cn2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2[nH+]1 ZINC000598469810 507438774 /nfs/dbraw/zinc/43/87/74/507438774.db2.gz UDHVGJDEVQBGML-OAHLLOKOSA-N 1 2 363.396 3.119 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(O)cc(C#N)c3)n2)C1 ZINC000614293731 507444917 /nfs/dbraw/zinc/44/49/17/507444917.db2.gz XQKFGZRUWNAENN-LBPRGKRZSA-N 1 2 356.451 3.205 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(O)cc(C#N)c3)n2)C1 ZINC000614293731 507444923 /nfs/dbraw/zinc/44/49/23/507444923.db2.gz XQKFGZRUWNAENN-LBPRGKRZSA-N 1 2 356.451 3.205 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)c1 ZINC000610987004 507468355 /nfs/dbraw/zinc/46/83/55/507468355.db2.gz KGZJJBSFNWWZJY-OAHLLOKOSA-N 1 2 359.389 3.143 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)cs1 ZINC000610992095 507470786 /nfs/dbraw/zinc/47/07/86/507470786.db2.gz XZKFYEDNGMTXSO-UHFFFAOYSA-N 1 2 355.511 3.025 20 30 FGEDLO N#Cc1cnccc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000592078974 507476205 /nfs/dbraw/zinc/47/62/05/507476205.db2.gz XGOKTAYHKOLFOH-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO N#Cc1cnccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000592078974 507476212 /nfs/dbraw/zinc/47/62/12/507476212.db2.gz XGOKTAYHKOLFOH-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(O)cc(C#N)c2)C[C@H](C)O1 ZINC000614364051 507479287 /nfs/dbraw/zinc/47/92/87/507479287.db2.gz QZNCXMUOWBQGNQ-GJZGRUSLSA-N 1 2 365.433 3.125 20 30 FGEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596663 507512405 /nfs/dbraw/zinc/51/24/05/507512405.db2.gz RSSQWKQYIIUDPF-WFASDCNBSA-N 1 2 373.280 3.440 20 30 FGEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596663 507512410 /nfs/dbraw/zinc/51/24/10/507512410.db2.gz RSSQWKQYIIUDPF-WFASDCNBSA-N 1 2 373.280 3.440 20 30 FGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Br)n1 ZINC000595528306 507544646 /nfs/dbraw/zinc/54/46/46/507544646.db2.gz QKVQGLSDYBBYCR-UHFFFAOYSA-N 1 2 361.243 3.150 20 30 FGEDLO CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C(C)C)cc1 ZINC000611175182 507546430 /nfs/dbraw/zinc/54/64/30/507546430.db2.gz VBUQPGDKTGIKEO-JOCHJYFZSA-N 1 2 370.541 3.155 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000598730361 507570342 /nfs/dbraw/zinc/57/03/42/507570342.db2.gz UJZPQZWIZNEUCN-ZDUSSCGKSA-N 1 2 361.230 3.431 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)cc1 ZINC000611254304 507581703 /nfs/dbraw/zinc/58/17/03/507581703.db2.gz VKVPRZRHCHOCIP-UHFFFAOYSA-N 1 2 365.389 3.402 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)cc1 ZINC000611254304 507581710 /nfs/dbraw/zinc/58/17/10/507581710.db2.gz VKVPRZRHCHOCIP-UHFFFAOYSA-N 1 2 365.389 3.402 20 30 FGEDLO CC(C)C[C@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)n1cc[nH+]c1 ZINC000602091576 507588067 /nfs/dbraw/zinc/58/80/67/507588067.db2.gz LBTKFRSBESQHRW-QGZVFWFLSA-N 1 2 368.437 3.188 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623364 507598214 /nfs/dbraw/zinc/59/82/14/507598214.db2.gz NYKQQABMDQQAAA-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623364 507598218 /nfs/dbraw/zinc/59/82/18/507598218.db2.gz NYKQQABMDQQAAA-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602121883 507600123 /nfs/dbraw/zinc/60/01/23/507600123.db2.gz XPFUCDFMQLDKDI-AWEZNQCLSA-N 1 2 351.332 3.319 20 30 FGEDLO N#Cc1cnccc1C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722809 507647218 /nfs/dbraw/zinc/64/72/18/507647218.db2.gz KOLHHVTZQXUFFC-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000595760038 507672063 /nfs/dbraw/zinc/67/20/63/507672063.db2.gz QTDIMYVXORYZPW-ZDUSSCGKSA-N 1 2 353.422 3.162 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000595760038 507672067 /nfs/dbraw/zinc/67/20/67/507672067.db2.gz QTDIMYVXORYZPW-ZDUSSCGKSA-N 1 2 353.422 3.162 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000611462200 507692122 /nfs/dbraw/zinc/69/21/22/507692122.db2.gz ZMDLBOQCBKNGTK-UHFFFAOYSA-N 1 2 356.470 3.355 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587051785 507705007 /nfs/dbraw/zinc/70/50/07/507705007.db2.gz VNILFTYTGAJILR-LJQANCHMSA-N 1 2 357.417 3.243 20 30 FGEDLO COc1cc(CN2CC[C@@](C)(C#N)C2)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595840366 507709975 /nfs/dbraw/zinc/70/99/75/507709975.db2.gz AEKUXZFVIFMSON-SFTDATJTSA-N 1 2 352.482 3.166 20 30 FGEDLO COc1cc(CN2CC[C@@](C)(C#N)C2)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595840366 507709980 /nfs/dbraw/zinc/70/99/80/507709980.db2.gz AEKUXZFVIFMSON-SFTDATJTSA-N 1 2 352.482 3.166 20 30 FGEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550436 507733787 /nfs/dbraw/zinc/73/37/87/507733787.db2.gz AWUWPOMPNIGYQD-WMLDXEAASA-N 1 2 371.412 3.149 20 30 FGEDLO Cc1cccc2c(N[C@H](C)c3ccc(C#N)cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410933 599122811 /nfs/dbraw/zinc/12/28/11/599122811.db2.gz WDZGITRJIZGBSX-CYBMUJFWSA-N 1 2 355.405 3.190 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380229 608749542 /nfs/dbraw/zinc/74/95/42/608749542.db2.gz RTAOBGXRKIFKPD-JKSUJKDBSA-N 1 2 350.451 3.200 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380229 608749543 /nfs/dbraw/zinc/74/95/43/608749543.db2.gz RTAOBGXRKIFKPD-JKSUJKDBSA-N 1 2 350.451 3.200 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(F)c(Br)c2)cc1 ZINC000071965300 695958911 /nfs/dbraw/zinc/95/89/11/695958911.db2.gz ZUZKQYTWFFYBKN-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182659 700227185 /nfs/dbraw/zinc/22/71/85/700227185.db2.gz HJZBAEUEZNXRDU-UTUOFQBUSA-N 1 2 360.342 3.472 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182659 700227189 /nfs/dbraw/zinc/22/71/89/700227189.db2.gz HJZBAEUEZNXRDU-UTUOFQBUSA-N 1 2 360.342 3.472 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000106436295 700508296 /nfs/dbraw/zinc/50/82/96/700508296.db2.gz TTXZETWTHQNNRG-UHFFFAOYSA-N 1 2 358.785 3.236 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccccc2OC(F)F)cc1OC ZINC000117868360 700606053 /nfs/dbraw/zinc/60/60/53/700606053.db2.gz AZXGLIZUPATNNV-UHFFFAOYSA-N 1 2 352.337 3.142 20 30 FGEDLO C#CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1 ZINC000155777604 705090560 /nfs/dbraw/zinc/09/05/60/705090560.db2.gz IYRCXHOCMDZRTH-UHFFFAOYSA-N 1 2 353.491 3.451 20 30 FGEDLO C#CC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C1CCCC1 ZINC000155777604 705090562 /nfs/dbraw/zinc/09/05/62/705090562.db2.gz IYRCXHOCMDZRTH-UHFFFAOYSA-N 1 2 353.491 3.451 20 30 FGEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@]1(O)CCSC1 ZINC000328946283 713826789 /nfs/dbraw/zinc/82/67/89/713826789.db2.gz GNAIMPWQXCXRDB-PBHICJAKSA-N 1 2 372.893 3.441 20 30 FGEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330215375 713834972 /nfs/dbraw/zinc/83/49/72/713834972.db2.gz GYNZUBKKUSRYPC-KBPBESRZSA-N 1 2 350.532 3.237 20 30 FGEDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccnc(C#N)c1 ZINC000617261622 714641641 /nfs/dbraw/zinc/64/16/41/714641641.db2.gz HRXGFRPPJNMXLX-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccnc(C#N)c1 ZINC000617261622 714641647 /nfs/dbraw/zinc/64/16/47/714641647.db2.gz HRXGFRPPJNMXLX-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618451569 714748362 /nfs/dbraw/zinc/74/83/62/714748362.db2.gz QOTFEVIQEVCCAC-VXGBXAGGSA-N 1 2 360.342 3.474 20 30 FGEDLO C=C[C@H](N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809819 714872497 /nfs/dbraw/zinc/87/24/97/714872497.db2.gz KMBIIOBJEQCZCX-ULQDDVLXSA-N 1 2 354.853 3.320 20 30 FGEDLO C=C[C@H](N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809819 714872500 /nfs/dbraw/zinc/87/25/00/714872500.db2.gz KMBIIOBJEQCZCX-ULQDDVLXSA-N 1 2 354.853 3.320 20 30 FGEDLO C=CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000638967399 717502782 /nfs/dbraw/zinc/50/27/82/717502782.db2.gz ALVRCKSVZUSJQD-UHFFFAOYSA-N 1 2 361.467 3.129 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncc[nH]2)cc1OC ZINC000639369640 717549005 /nfs/dbraw/zinc/54/90/05/717549005.db2.gz APFWRBGTUNAUGZ-UHFFFAOYSA-N 1 2 352.232 3.035 20 30 FGEDLO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1F ZINC000804419455 724514310 /nfs/dbraw/zinc/51/43/10/724514310.db2.gz NIIRXSRVKPTVLJ-MRXNPFEDSA-N 1 2 354.772 3.164 20 30 FGEDLO C=CCCn1cc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nn1 ZINC000653559728 719057249 /nfs/dbraw/zinc/05/72/49/719057249.db2.gz PTGVIORSTRPVSL-INIZCTEOSA-N 1 2 359.905 3.386 20 30 FGEDLO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)[C@@H](C)COC ZINC000661243461 720214252 /nfs/dbraw/zinc/21/42/52/720214252.db2.gz KSYHGDXRMBFAGQ-NSHDSACASA-N 1 2 355.360 3.377 20 30 FGEDLO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)[C@@H](C)COC ZINC000661243461 720214255 /nfs/dbraw/zinc/21/42/55/720214255.db2.gz KSYHGDXRMBFAGQ-NSHDSACASA-N 1 2 355.360 3.377 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662053980 720366048 /nfs/dbraw/zinc/36/60/48/720366048.db2.gz BZMSIRBVWMIOKA-IUODEOHRSA-N 1 2 357.281 3.206 20 30 FGEDLO NC(=[NH+]OCc1cccc2nsnc21)c1ccc(Br)cc1 ZINC000782949155 724711278 /nfs/dbraw/zinc/71/12/78/724711278.db2.gz QHWPGSKVERYXSU-UHFFFAOYSA-N 1 2 363.240 3.291 20 30 FGEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949309 724711346 /nfs/dbraw/zinc/71/13/46/724711346.db2.gz SZYABESTBYIVGJ-SECBINFHSA-N 1 2 370.272 3.450 20 30 FGEDLO COCCn1nc(C)c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1C ZINC000783712404 724780602 /nfs/dbraw/zinc/78/06/02/724780602.db2.gz GHUBZCDOUPQOFV-SNAWJCMRSA-N 1 2 356.451 3.290 20 30 FGEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000727495183 722444988 /nfs/dbraw/zinc/44/49/88/722444988.db2.gz VSKIQOKXLBYRHO-KRWDZBQOSA-N 1 2 356.495 3.219 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000734098901 722504172 /nfs/dbraw/zinc/50/41/72/722504172.db2.gz LWKQYGBJDRPDDK-HNNXBMFYSA-N 1 2 351.479 3.029 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000734098902 722504189 /nfs/dbraw/zinc/50/41/89/722504189.db2.gz LWKQYGBJDRPDDK-OAHLLOKOSA-N 1 2 351.479 3.029 20 30 FGEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741244344 722543744 /nfs/dbraw/zinc/54/37/44/722543744.db2.gz UZXGZSXVMQNJEF-IUODEOHRSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741244344 722543745 /nfs/dbraw/zinc/54/37/45/722543745.db2.gz UZXGZSXVMQNJEF-IUODEOHRSA-N 1 2 362.886 3.370 20 30 FGEDLO N#CCSCCC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000745942161 722591415 /nfs/dbraw/zinc/59/14/15/722591415.db2.gz DUBSTDLEYPZFKE-UHFFFAOYSA-N 1 2 365.371 3.151 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000757093037 722974258 /nfs/dbraw/zinc/97/42/58/722974258.db2.gz JLIGJAUGRNVTOP-AWEZNQCLSA-N 1 2 358.239 3.033 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000757093037 722974259 /nfs/dbraw/zinc/97/42/59/722974259.db2.gz JLIGJAUGRNVTOP-AWEZNQCLSA-N 1 2 358.239 3.033 20 30 FGEDLO C#CCCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000791418027 723241359 /nfs/dbraw/zinc/24/13/59/723241359.db2.gz RNEHAHSIALOYGS-KRWDZBQOSA-N 1 2 356.919 3.056 20 30 FGEDLO C[C@]12CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]1C2(Cl)Cl ZINC000792914631 723382024 /nfs/dbraw/zinc/38/20/24/723382024.db2.gz QLSFFINJQNQITC-WBVHZDCISA-N 1 2 366.292 3.449 20 30 FGEDLO C[C@]12CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]1C2(Cl)Cl ZINC000792914631 723382029 /nfs/dbraw/zinc/38/20/29/723382029.db2.gz QLSFFINJQNQITC-WBVHZDCISA-N 1 2 366.292 3.449 20 30 FGEDLO Cc1cc(Br)cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000774828339 723933473 /nfs/dbraw/zinc/93/34/73/723933473.db2.gz XIVGQZOGXBNZAV-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO NC(=[NH+]OCCOCC(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000786748127 724998674 /nfs/dbraw/zinc/99/86/74/724998674.db2.gz MJNAYLREXUTZJV-UHFFFAOYSA-N 1 2 373.144 3.003 20 30 FGEDLO O=C(NC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069895 725286365 /nfs/dbraw/zinc/28/63/65/725286365.db2.gz LUSIHHFBCUZXQA-CYBMUJFWSA-N 1 2 358.791 3.082 20 30 FGEDLO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069895 725286366 /nfs/dbraw/zinc/28/63/66/725286366.db2.gz LUSIHHFBCUZXQA-CYBMUJFWSA-N 1 2 358.791 3.082 20 30 FGEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074385 725287107 /nfs/dbraw/zinc/28/71/07/725287107.db2.gz OMTVKZQVWIPIEL-UHFFFAOYSA-N 1 2 365.861 3.293 20 30 FGEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074385 725287108 /nfs/dbraw/zinc/28/71/08/725287108.db2.gz OMTVKZQVWIPIEL-UHFFFAOYSA-N 1 2 365.861 3.293 20 30 FGEDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2F)C[C@H](C)O1 ZINC000810131799 725291357 /nfs/dbraw/zinc/29/13/57/725291357.db2.gz PHLARTOWPQDESH-BETUJISGSA-N 1 2 360.458 3.057 20 30 FGEDLO CCOc1ccc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cc1 ZINC000814983517 727017011 /nfs/dbraw/zinc/01/70/11/727017011.db2.gz AYQMJFDSDBOTSA-UHFFFAOYSA-N 1 2 360.849 3.157 20 30 FGEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000815010754 727019062 /nfs/dbraw/zinc/01/90/62/727019062.db2.gz YKBLAGFSYXRNCN-CVEARBPZSA-N 1 2 353.388 3.395 20 30 FGEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2nn(C)c(C)c2Cl)ccc1OC ZINC000817407398 727247482 /nfs/dbraw/zinc/24/74/82/727247482.db2.gz MPKYXJDVMRPURL-CQSZACIVSA-N 1 2 362.861 3.361 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)OCCc2c[nH+]cn2C)s1 ZINC000820687368 729017693 /nfs/dbraw/zinc/01/76/93/729017693.db2.gz VGXMCIGGLNKSDR-UHFFFAOYSA-N 1 2 371.915 3.358 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821798270 729117739 /nfs/dbraw/zinc/11/77/39/729117739.db2.gz YHVKARXTOMOGAH-SMDDNHRTSA-N 1 2 352.316 3.306 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000822935063 729233683 /nfs/dbraw/zinc/23/36/83/729233683.db2.gz LVHJHZQVUSPLFQ-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000842630057 730522179 /nfs/dbraw/zinc/52/21/79/730522179.db2.gz WJTYMFZNSWVHAI-MRXNPFEDSA-N 1 2 359.543 3.432 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000842630057 730522180 /nfs/dbraw/zinc/52/21/80/730522180.db2.gz WJTYMFZNSWVHAI-MRXNPFEDSA-N 1 2 359.543 3.432 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282183 730826898 /nfs/dbraw/zinc/82/68/98/730826898.db2.gz UATVIVFKWIDTJK-LSDHHAIUSA-N 1 2 361.467 3.042 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000852752285 731630105 /nfs/dbraw/zinc/63/01/05/731630105.db2.gz XLPIEGWDIQPUBJ-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000852752285 731630109 /nfs/dbraw/zinc/63/01/09/731630109.db2.gz XLPIEGWDIQPUBJ-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000867103453 733439835 /nfs/dbraw/zinc/43/98/35/733439835.db2.gz YHTOFKGCGHERGH-JKSUJKDBSA-N 1 2 361.417 3.268 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2sccc2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000867103453 733439846 /nfs/dbraw/zinc/43/98/46/733439846.db2.gz YHTOFKGCGHERGH-JKSUJKDBSA-N 1 2 361.417 3.268 20 30 FGEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872783857 735677019 /nfs/dbraw/zinc/67/70/19/735677019.db2.gz CFFNGTBOHMZMPM-CALCHBBNSA-N 1 2 356.495 3.111 20 30 FGEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872783857 735677025 /nfs/dbraw/zinc/67/70/25/735677025.db2.gz CFFNGTBOHMZMPM-CALCHBBNSA-N 1 2 356.495 3.111 20 30 FGEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)C1 ZINC000876615048 736121700 /nfs/dbraw/zinc/12/17/00/736121700.db2.gz ZFBAEKJFCFGYOK-AWEZNQCLSA-N 1 2 360.889 3.077 20 30 FGEDLO Cc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1Br ZINC000878802046 736920115 /nfs/dbraw/zinc/92/01/15/736920115.db2.gz ALDOXYGHDPVODK-ZDUSSCGKSA-N 1 2 366.284 3.251 20 30 FGEDLO Cc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)sc1Br ZINC000878802046 736920117 /nfs/dbraw/zinc/92/01/17/736920117.db2.gz ALDOXYGHDPVODK-ZDUSSCGKSA-N 1 2 366.284 3.251 20 30 FGEDLO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000880008117 737097775 /nfs/dbraw/zinc/09/77/75/737097775.db2.gz QEFTVBRAKUIILJ-CYBMUJFWSA-N 1 2 360.870 3.405 20 30 FGEDLO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000880008117 737097777 /nfs/dbraw/zinc/09/77/77/737097777.db2.gz QEFTVBRAKUIILJ-CYBMUJFWSA-N 1 2 360.870 3.405 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318549 737153585 /nfs/dbraw/zinc/15/35/85/737153585.db2.gz HNLXUCBRXSXDAQ-NEPJUHHUSA-N 1 2 372.519 3.381 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880318549 737153589 /nfs/dbraw/zinc/15/35/89/737153589.db2.gz HNLXUCBRXSXDAQ-NEPJUHHUSA-N 1 2 372.519 3.381 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000880481102 737179444 /nfs/dbraw/zinc/17/94/44/737179444.db2.gz LYSKOTDMRPQDDC-UHFFFAOYSA-N 1 2 374.225 3.401 20 30 FGEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)c(SC(F)(F)F)c2)nn1 ZINC000881313172 737323610 /nfs/dbraw/zinc/32/36/10/737323610.db2.gz BYFQIRONUTVDCF-UHFFFAOYSA-N 1 2 370.400 3.060 20 30 FGEDLO N#Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1Br ZINC000887994796 739457264 /nfs/dbraw/zinc/45/72/64/739457264.db2.gz KCCJJYPVAASCAZ-UHFFFAOYSA-N 1 2 359.227 3.035 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nc(Cl)c(C#N)s2)c1C ZINC000888409898 739518290 /nfs/dbraw/zinc/51/82/90/739518290.db2.gz UBUNYBYPSNNZRY-UHFFFAOYSA-N 1 2 365.846 3.353 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccc(Br)cc1 ZINC000894870785 742345046 /nfs/dbraw/zinc/34/50/46/742345046.db2.gz PERCHPHVXGODSK-QMTHXVAHSA-N 1 2 351.269 3.423 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000897330354 742669168 /nfs/dbraw/zinc/66/91/68/742669168.db2.gz RSNBPXQXXHQYBO-AWEZNQCLSA-N 1 2 355.747 3.449 20 30 FGEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1cc(C#N)ccn1 ZINC000902947450 743791527 /nfs/dbraw/zinc/79/15/27/743791527.db2.gz IIIPZPIMGMXGLY-WBMJQRKESA-N 1 2 360.255 3.490 20 30 FGEDLO COCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100078 758178671 /nfs/dbraw/zinc/17/86/71/758178671.db2.gz CLTNYFWBWPVKNV-HNNXBMFYSA-N 1 2 357.479 3.364 20 30 FGEDLO COCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCCC1 ZINC000917100078 758178678 /nfs/dbraw/zinc/17/86/78/758178678.db2.gz CLTNYFWBWPVKNV-HNNXBMFYSA-N 1 2 357.479 3.364 20 30 FGEDLO COc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1C#N ZINC000923001230 759047251 /nfs/dbraw/zinc/04/72/51/759047251.db2.gz TUCFVKQHWMOQIT-UHFFFAOYSA-N 1 2 373.254 3.288 20 30 FGEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000933169171 761331405 /nfs/dbraw/zinc/33/14/05/761331405.db2.gz VRGJFTOTSQQNOR-DGCLKSJQSA-N 1 2 351.244 3.094 20 30 FGEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000933169171 761331415 /nfs/dbraw/zinc/33/14/15/761331415.db2.gz VRGJFTOTSQQNOR-DGCLKSJQSA-N 1 2 351.244 3.094 20 30 FGEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]([C@H]2CCCO2)C1 ZINC000933182455 761334393 /nfs/dbraw/zinc/33/43/93/761334393.db2.gz WYMALDRIRSDEPT-NZSAHSFTSA-N 1 2 361.869 3.124 20 30 FGEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]([C@H]2CCCO2)C1 ZINC000933182455 761334399 /nfs/dbraw/zinc/33/43/99/761334399.db2.gz WYMALDRIRSDEPT-NZSAHSFTSA-N 1 2 361.869 3.124 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000933612994 761439841 /nfs/dbraw/zinc/43/98/41/761439841.db2.gz NBDLIVKZSOYTPO-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC000970448163 762876060 /nfs/dbraw/zinc/87/60/60/762876060.db2.gz XJCQALOXHJFVEG-NJAPINKUSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001014466946 765782418 /nfs/dbraw/zinc/78/24/18/765782418.db2.gz DAJJRCCINHKRAB-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001014466946 765782422 /nfs/dbraw/zinc/78/24/22/765782422.db2.gz DAJJRCCINHKRAB-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1Cl ZINC001032409797 766196205 /nfs/dbraw/zinc/19/62/05/766196205.db2.gz BFNHSQQSEUXHOL-BMFAXAFESA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1Cl ZINC001032409797 766196210 /nfs/dbraw/zinc/19/62/10/766196210.db2.gz BFNHSQQSEUXHOL-BMFAXAFESA-N 1 2 360.885 3.106 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001033405876 766213888 /nfs/dbraw/zinc/21/38/88/766213888.db2.gz PROQREHIIIAHQG-BFHYXJOUSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001033405876 766213893 /nfs/dbraw/zinc/21/38/93/766213893.db2.gz PROQREHIIIAHQG-BFHYXJOUSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001034439970 766242135 /nfs/dbraw/zinc/24/21/35/766242135.db2.gz RYQUVBGKXYEBDK-OGFMVLIQSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001034439970 766242140 /nfs/dbraw/zinc/24/21/40/766242140.db2.gz RYQUVBGKXYEBDK-OGFMVLIQSA-N 1 2 361.313 3.257 20 30 FGEDLO CN(C(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000052581275 221039504 /nfs/dbraw/zinc/03/95/04/221039504.db2.gz ZONWMWPULGNJMU-UHFFFAOYSA-N 1 2 350.447 3.263 20 30 FGEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000052581275 221039506 /nfs/dbraw/zinc/03/95/06/221039506.db2.gz ZONWMWPULGNJMU-UHFFFAOYSA-N 1 2 350.447 3.263 20 30 FGEDLO Cc1c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cccc1[N+](=O)[O-] ZINC000051180172 136123990 /nfs/dbraw/zinc/12/39/90/136123990.db2.gz ZXVQARNCWSCXSO-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO CCn1cc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cn1 ZINC000593083253 506383827 /nfs/dbraw/zinc/38/38/27/506383827.db2.gz WEQXZAPLCRLNLO-UHFFFAOYSA-N 1 2 350.426 3.235 20 30 FGEDLO C[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000048160132 493794502 /nfs/dbraw/zinc/79/45/02/493794502.db2.gz XKWNYYCWQPLALZ-FQEVSTJZSA-N 1 2 365.502 3.307 20 30 FGEDLO C[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000048160132 493794507 /nfs/dbraw/zinc/79/45/07/493794507.db2.gz XKWNYYCWQPLALZ-FQEVSTJZSA-N 1 2 365.502 3.307 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000048246581 493807321 /nfs/dbraw/zinc/80/73/21/493807321.db2.gz PAYRZCNZRQMCBZ-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000068420433 493816269 /nfs/dbraw/zinc/81/62/69/493816269.db2.gz AILSESGLZHDXFU-FQEVSTJZSA-N 1 2 366.465 3.365 20 30 FGEDLO C[C@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(Br)cc1 ZINC000081062851 493822343 /nfs/dbraw/zinc/82/23/43/493822343.db2.gz FYBLGQKOOODKEN-ZDUSSCGKSA-N 1 2 364.287 3.252 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(Br)cc1 ZINC000081062851 493822348 /nfs/dbraw/zinc/82/23/48/493822348.db2.gz FYBLGQKOOODKEN-ZDUSSCGKSA-N 1 2 364.287 3.252 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000029686916 493851131 /nfs/dbraw/zinc/85/11/31/493851131.db2.gz BDWGQIBQAYBPHP-RTWAWAEBSA-N 1 2 363.436 3.145 20 30 FGEDLO COc1cccc([C@H](NC(=O)c2cccc(CC#N)c2)c2[nH+]ccn2C)c1 ZINC000049617767 493876607 /nfs/dbraw/zinc/87/66/07/493876607.db2.gz IPQFTSFKBRTDNM-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO Cc1csc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000568410843 505687730 /nfs/dbraw/zinc/68/77/30/505687730.db2.gz ZQPABUKBRJUTPW-CQSZACIVSA-N 1 2 355.467 3.234 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000081512221 493906394 /nfs/dbraw/zinc/90/63/94/493906394.db2.gz MHFVUYJANPFYKB-UHFFFAOYSA-N 1 2 368.502 3.287 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cn21 ZINC000069037444 493910141 /nfs/dbraw/zinc/91/01/41/493910141.db2.gz QARXPUVTRQQBDF-UHFFFAOYSA-N 1 2 350.426 3.393 20 30 FGEDLO N#Cc1nc(NCc2ccccc2Cn2cc[nH+]c2)ccc1C(F)(F)F ZINC000571246908 505688412 /nfs/dbraw/zinc/68/84/12/505688412.db2.gz TYIZASDJYGSVKI-UHFFFAOYSA-N 1 2 357.339 3.251 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000076827454 493975942 /nfs/dbraw/zinc/97/59/42/493975942.db2.gz VFQWFXGKLDJUHW-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000052105567 494004486 /nfs/dbraw/zinc/00/44/86/494004486.db2.gz HPSAUMCURLOEOG-AWEZNQCLSA-N 1 2 356.253 3.142 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000052105567 494004492 /nfs/dbraw/zinc/00/44/92/494004492.db2.gz HPSAUMCURLOEOG-AWEZNQCLSA-N 1 2 356.253 3.142 20 30 FGEDLO O=C(NCC#Cc1ccccc1)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083643065 494026360 /nfs/dbraw/zinc/02/63/60/494026360.db2.gz DXEUJKUZKSICMJ-UHFFFAOYSA-N 1 2 372.472 3.367 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)cc1 ZINC000052488399 494029749 /nfs/dbraw/zinc/02/97/49/494029749.db2.gz KXDUTZKCBOHQDS-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297768 494040998 /nfs/dbraw/zinc/04/09/98/494040998.db2.gz DLAALLXURHQMAS-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297768 494041003 /nfs/dbraw/zinc/04/10/03/494041003.db2.gz DLAALLXURHQMAS-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297697 494041181 /nfs/dbraw/zinc/04/11/81/494041181.db2.gz PEHGTUOXWFPCHY-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297697 494041184 /nfs/dbraw/zinc/04/11/84/494041184.db2.gz PEHGTUOXWFPCHY-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccc(C#N)c1 ZINC000052580689 494042346 /nfs/dbraw/zinc/04/23/46/494042346.db2.gz WIQOAQPFXMLBOX-UHFFFAOYSA-N 1 2 352.419 3.345 20 30 FGEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1cccc(C#N)c1 ZINC000052580689 494042348 /nfs/dbraw/zinc/04/23/48/494042348.db2.gz WIQOAQPFXMLBOX-UHFFFAOYSA-N 1 2 352.419 3.345 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000063300842 494042400 /nfs/dbraw/zinc/04/24/00/494042400.db2.gz DZNINYKNSBBKOX-UHFFFAOYSA-N 1 2 350.447 3.124 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000063300842 494042402 /nfs/dbraw/zinc/04/24/02/494042402.db2.gz DZNINYKNSBBKOX-UHFFFAOYSA-N 1 2 350.447 3.124 20 30 FGEDLO C=CC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000041283573 494154472 /nfs/dbraw/zinc/15/44/72/494154472.db2.gz GSNZITYMLYCTRK-UHFFFAOYSA-N 1 2 352.360 3.059 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)/C=C/c1ccccc1C#N)c1[nH+]ccn1C ZINC000053835846 494169965 /nfs/dbraw/zinc/16/99/65/494169965.db2.gz SGGDDACUICILOP-VIOKTNGOSA-N 1 2 372.428 3.219 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OC)cc1 ZINC000054272106 494214388 /nfs/dbraw/zinc/21/43/88/494214388.db2.gz YJQAITBVGNPPMA-UHFFFAOYSA-N 1 2 367.449 3.280 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OC)cc1 ZINC000054272106 494214390 /nfs/dbraw/zinc/21/43/90/494214390.db2.gz YJQAITBVGNPPMA-UHFFFAOYSA-N 1 2 367.449 3.280 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(OC)cc1 ZINC000054272111 494214448 /nfs/dbraw/zinc/21/44/48/494214448.db2.gz UBBFDJQNAFCEDY-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(OC)cc1 ZINC000054272111 494214451 /nfs/dbraw/zinc/21/44/51/494214451.db2.gz UBBFDJQNAFCEDY-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO CCn1cc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)C)cn1 ZINC000593083253 506383835 /nfs/dbraw/zinc/38/38/35/506383835.db2.gz WEQXZAPLCRLNLO-UHFFFAOYSA-N 1 2 350.426 3.235 20 30 FGEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524296 494245946 /nfs/dbraw/zinc/24/59/46/494245946.db2.gz QTQHMNJEERQGHD-SFHVURJKSA-N 1 2 367.449 3.011 20 30 FGEDLO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000054619939 494252457 /nfs/dbraw/zinc/25/24/57/494252457.db2.gz GPJALTUBEAWCFK-UHFFFAOYSA-N 1 2 358.486 3.141 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000012822312 494263344 /nfs/dbraw/zinc/26/33/44/494263344.db2.gz VNSGOKLIYNZQDZ-JOCHJYFZSA-N 1 2 359.473 3.323 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000054990035 494289376 /nfs/dbraw/zinc/28/93/76/494289376.db2.gz MZGSUOAOQGLZBT-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000054990035 494289378 /nfs/dbraw/zinc/28/93/78/494289378.db2.gz MZGSUOAOQGLZBT-UHFFFAOYSA-N 1 2 353.253 3.081 20 30 FGEDLO C=CC[N@@H+](CCOc1cccc(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000072964121 494292974 /nfs/dbraw/zinc/29/29/74/494292974.db2.gz WCDVVPOXJQADKR-KRWDZBQOSA-N 1 2 351.512 3.038 20 30 FGEDLO C=CC[N@H+](CCOc1cccc(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000072964121 494292980 /nfs/dbraw/zinc/29/29/80/494292980.db2.gz WCDVVPOXJQADKR-KRWDZBQOSA-N 1 2 351.512 3.038 20 30 FGEDLO COc1ccc([C@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000078601759 494328546 /nfs/dbraw/zinc/32/85/46/494328546.db2.gz OXMDYBQQCGWGPK-FQEVSTJZSA-N 1 2 355.413 3.191 20 30 FGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000078636131 494334998 /nfs/dbraw/zinc/33/49/98/494334998.db2.gz DDQRFJMDFAZPPV-UHFFFAOYSA-N 1 2 352.438 3.230 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000015742209 494367156 /nfs/dbraw/zinc/36/71/56/494367156.db2.gz JQJNDUJPROFYDV-UHFFFAOYSA-N 1 2 372.472 3.317 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000073601641 494398064 /nfs/dbraw/zinc/39/80/64/494398064.db2.gz JNVLSNFTPHPOJO-SFHVURJKSA-N 1 2 359.514 3.020 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045231984 494408363 /nfs/dbraw/zinc/40/83/63/494408363.db2.gz SQOZGABZERQQSX-LJQANCHMSA-N 1 2 359.433 3.223 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000079260156 494427053 /nfs/dbraw/zinc/42/70/53/494427053.db2.gz JRGXQVPZUXLNNY-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045491744 494433632 /nfs/dbraw/zinc/43/36/32/494433632.db2.gz ZGBCMLXDEKMQTK-UHFFFAOYSA-N 1 2 353.813 3.201 20 30 FGEDLO N#CC1(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCOCC1 ZINC000090632515 494490232 /nfs/dbraw/zinc/49/02/32/494490232.db2.gz RRHNSFIPQLNJJQ-UHFFFAOYSA-N 1 2 366.465 3.273 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000046528912 494536230 /nfs/dbraw/zinc/53/62/30/494536230.db2.gz ILMBBEMYWMWAKU-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000046528912 494536234 /nfs/dbraw/zinc/53/62/34/494536234.db2.gz ILMBBEMYWMWAKU-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056802092 494566167 /nfs/dbraw/zinc/56/61/67/494566167.db2.gz PXLGGKKZGVWOEE-UHFFFAOYSA-N 1 2 370.478 3.368 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)c1 ZINC000574268738 505734294 /nfs/dbraw/zinc/73/42/94/505734294.db2.gz MOGGQFIBSKNMPZ-UHFFFAOYSA-N 1 2 367.478 3.138 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000121335852 494707359 /nfs/dbraw/zinc/70/73/59/494707359.db2.gz OUUPUHRLPWQVMH-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000121335852 494707367 /nfs/dbraw/zinc/70/73/67/494707367.db2.gz OUUPUHRLPWQVMH-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423796 494739339 /nfs/dbraw/zinc/73/93/39/494739339.db2.gz PNGIOMAQCGKHPZ-LVIWNVNYSA-N 1 2 368.525 3.128 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047593456 494740077 /nfs/dbraw/zinc/74/00/77/494740077.db2.gz FFJDCQVUVYFTFT-INIZCTEOSA-N 1 2 371.506 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047593456 494740084 /nfs/dbraw/zinc/74/00/84/494740084.db2.gz FFJDCQVUVYFTFT-INIZCTEOSA-N 1 2 371.506 3.222 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000091980561 494742050 /nfs/dbraw/zinc/74/20/50/494742050.db2.gz ABWQEFKKBYHBJJ-MRXNPFEDSA-N 1 2 366.440 3.015 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000026349720 494821602 /nfs/dbraw/zinc/82/16/02/494821602.db2.gz GESYNSMKCJSNHW-GFCCVEGCSA-N 1 2 356.382 3.135 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000026349720 494821605 /nfs/dbraw/zinc/82/16/05/494821605.db2.gz GESYNSMKCJSNHW-GFCCVEGCSA-N 1 2 356.382 3.135 20 30 FGEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000093090817 494824551 /nfs/dbraw/zinc/82/45/51/494824551.db2.gz XBTNBGXSWNMQSC-QGZVFWFLSA-N 1 2 373.497 3.211 20 30 FGEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000093090817 494824555 /nfs/dbraw/zinc/82/45/55/494824555.db2.gz XBTNBGXSWNMQSC-QGZVFWFLSA-N 1 2 373.497 3.211 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093332661 494872649 /nfs/dbraw/zinc/87/26/49/494872649.db2.gz MXRWRRRISWXMEU-AUUYWEPGSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1C#N ZINC000093332661 494872651 /nfs/dbraw/zinc/87/26/51/494872651.db2.gz MXRWRRRISWXMEU-AUUYWEPGSA-N 1 2 372.513 3.123 20 30 FGEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132457869 494878196 /nfs/dbraw/zinc/87/81/96/494878196.db2.gz BRJAPJHRIFMXPR-LLVKDONJSA-N 1 2 352.822 3.240 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000132472930 494880020 /nfs/dbraw/zinc/88/00/20/494880020.db2.gz NSJKGBBQVPNJPM-OAHLLOKOSA-N 1 2 354.479 3.404 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000132472930 494880025 /nfs/dbraw/zinc/88/00/25/494880025.db2.gz NSJKGBBQVPNJPM-OAHLLOKOSA-N 1 2 354.479 3.404 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1OC ZINC000093883190 494930817 /nfs/dbraw/zinc/93/08/17/494930817.db2.gz AQHWLGBKCXJSLT-AWEZNQCLSA-N 1 2 358.404 3.328 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127619293 494971087 /nfs/dbraw/zinc/97/10/87/494971087.db2.gz LTTBDAPBXXIRGM-OALUTQOASA-N 1 2 374.387 3.267 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127619293 494971090 /nfs/dbraw/zinc/97/10/90/494971090.db2.gz LTTBDAPBXXIRGM-OALUTQOASA-N 1 2 374.387 3.267 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC000127660410 494977281 /nfs/dbraw/zinc/97/72/81/494977281.db2.gz MOTGKZCOBGQOBJ-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000127731222 494988525 /nfs/dbraw/zinc/98/85/25/494988525.db2.gz KQHNUFVUJQFIAL-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000127731222 494988530 /nfs/dbraw/zinc/98/85/30/494988530.db2.gz KQHNUFVUJQFIAL-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)S1 ZINC000128004624 495030151 /nfs/dbraw/zinc/03/01/51/495030151.db2.gz XZGZQSFRSGPTTJ-NSHDSACASA-N 1 2 354.401 3.190 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c(OC)c1 ZINC000098072183 495052387 /nfs/dbraw/zinc/05/23/87/495052387.db2.gz LQDPFQUPQYIVHD-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c(OC)c1 ZINC000098072183 495052394 /nfs/dbraw/zinc/05/23/94/495052394.db2.gz LQDPFQUPQYIVHD-UHFFFAOYSA-N 1 2 373.478 3.324 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000128459290 495100193 /nfs/dbraw/zinc/10/01/93/495100193.db2.gz JSYPGYCTUXIANM-SFHVURJKSA-N 1 2 367.449 3.388 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000128459290 495100196 /nfs/dbraw/zinc/10/01/96/495100196.db2.gz JSYPGYCTUXIANM-SFHVURJKSA-N 1 2 367.449 3.388 20 30 FGEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)n1 ZINC000123429950 495131056 /nfs/dbraw/zinc/13/10/56/495131056.db2.gz VBLWRVSHIXXAGA-CYBMUJFWSA-N 1 2 367.409 3.004 20 30 FGEDLO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)[nH+]1 ZINC000119313475 495139855 /nfs/dbraw/zinc/13/98/55/495139855.db2.gz GDAOJEFVHCQURM-UHFFFAOYSA-N 1 2 357.435 3.028 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(Br)c1 ZINC000123553021 495150603 /nfs/dbraw/zinc/15/06/03/495150603.db2.gz XHDHILMLUNIDLN-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO Cc1csc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000574410318 505767273 /nfs/dbraw/zinc/76/72/73/505767273.db2.gz GOLKKXFGBKNPPG-UHFFFAOYSA-N 1 2 358.442 3.417 20 30 FGEDLO C[C@@H]1CCCN(c2cc(N(C)CCOCc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000577675080 505772881 /nfs/dbraw/zinc/77/28/81/505772881.db2.gz GXYNHIGZWBBIFF-QGZVFWFLSA-N 1 2 365.481 3.238 20 30 FGEDLO C[C@@H]1CCCN(c2cc(N(C)CCOCc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000577675080 505772885 /nfs/dbraw/zinc/77/28/85/505772885.db2.gz GXYNHIGZWBBIFF-QGZVFWFLSA-N 1 2 365.481 3.238 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000130370690 495381627 /nfs/dbraw/zinc/38/16/27/495381627.db2.gz QBUXQDHWYBNYPJ-LBPRGKRZSA-N 1 2 361.417 3.417 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000120599597 495414291 /nfs/dbraw/zinc/41/42/91/495414291.db2.gz CPFABGWPNKPQNA-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000120599597 495414295 /nfs/dbraw/zinc/41/42/95/495414295.db2.gz CPFABGWPNKPQNA-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000131135233 495496915 /nfs/dbraw/zinc/49/69/15/495496915.db2.gz DNIDUZXLWPPRCJ-UHFFFAOYSA-N 1 2 353.388 3.403 20 30 FGEDLO C[N@H+](Cc1cc(Br)cs1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115535825 495514224 /nfs/dbraw/zinc/51/42/24/495514224.db2.gz FFNDFXMJYAFIJZ-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1cc(Br)cs1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115535825 495514225 /nfs/dbraw/zinc/51/42/25/495514225.db2.gz FFNDFXMJYAFIJZ-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO CSc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000170646498 495544980 /nfs/dbraw/zinc/54/49/80/495544980.db2.gz VPLXFBHNRWAHNA-UHFFFAOYSA-N 1 2 366.490 3.041 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C#N)cc2F)c1C ZINC000170936440 495658716 /nfs/dbraw/zinc/65/87/16/495658716.db2.gz YSQVPAPVJDSPFU-UHFFFAOYSA-N 1 2 356.401 3.059 20 30 FGEDLO N#Cc1ccccc1OCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000176510131 495677181 /nfs/dbraw/zinc/67/71/81/495677181.db2.gz LWTUFSNOWTXTSQ-UHFFFAOYSA-N 1 2 374.444 3.083 20 30 FGEDLO COCCc1noc(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000151090162 495734384 /nfs/dbraw/zinc/73/43/84/495734384.db2.gz UCTCQBFMXFXGFB-UHFFFAOYSA-N 1 2 362.433 3.429 20 30 FGEDLO COCCc1noc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000151090162 495734388 /nfs/dbraw/zinc/73/43/88/495734388.db2.gz UCTCQBFMXFXGFB-UHFFFAOYSA-N 1 2 362.433 3.429 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000185827621 495740585 /nfs/dbraw/zinc/74/05/85/495740585.db2.gz BGVURDSASQPVLG-OAHLLOKOSA-N 1 2 359.495 3.298 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000185827621 495740591 /nfs/dbraw/zinc/74/05/91/495740591.db2.gz BGVURDSASQPVLG-OAHLLOKOSA-N 1 2 359.495 3.298 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2ccc(C#N)cc2)c1C ZINC000171293485 495808342 /nfs/dbraw/zinc/80/83/42/495808342.db2.gz FOIXBKWKQCTFAD-UHFFFAOYSA-N 1 2 355.463 3.329 20 30 FGEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000155284673 495903798 /nfs/dbraw/zinc/90/37/98/495903798.db2.gz ISMODZNTXUHIBZ-HXUWFJFHSA-N 1 2 350.422 3.286 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000180364873 495967631 /nfs/dbraw/zinc/96/76/31/495967631.db2.gz GNXTYYJSUFCJKY-JKSUJKDBSA-N 1 2 351.516 3.165 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177504632 496088620 /nfs/dbraw/zinc/08/86/20/496088620.db2.gz ZKJLLJNCYCNFFS-UHFFFAOYSA-N 1 2 358.486 3.064 20 30 FGEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000152411879 496143459 /nfs/dbraw/zinc/14/34/59/496143459.db2.gz ZWVCIXNRAUPTBU-IINYFYTJSA-N 1 2 358.294 3.112 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccco1 ZINC000184178176 496273362 /nfs/dbraw/zinc/27/33/62/496273362.db2.gz ICRSPVKXYMGQOH-IAGOWNOFSA-N 1 2 361.486 3.314 20 30 FGEDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336778 496338701 /nfs/dbraw/zinc/33/87/01/496338701.db2.gz NOKKBXJZWSCEJM-KBPBESRZSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336778 496338704 /nfs/dbraw/zinc/33/87/04/496338704.db2.gz NOKKBXJZWSCEJM-KBPBESRZSA-N 1 2 361.511 3.062 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C)o1 ZINC000184661373 496483467 /nfs/dbraw/zinc/48/34/67/496483467.db2.gz HPHCIECMKLWFQE-QAPCUYQASA-N 1 2 373.428 3.340 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(C)o1 ZINC000184666404 496485404 /nfs/dbraw/zinc/48/54/04/496485404.db2.gz LKNDWQULCGBVLQ-SXOSEBPOSA-N 1 2 361.486 3.185 20 30 FGEDLO N#Cc1ccc(CC(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000181798451 496549539 /nfs/dbraw/zinc/54/95/39/496549539.db2.gz QLXSQQZBFXGRLX-UHFFFAOYSA-N 1 2 370.456 3.125 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1ccc(F)c(F)c1 ZINC000187774900 496566501 /nfs/dbraw/zinc/56/65/01/496566501.db2.gz LAGPYESRPZNKED-INIZCTEOSA-N 1 2 362.405 3.145 20 30 FGEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000163940629 496571597 /nfs/dbraw/zinc/57/15/97/496571597.db2.gz PQPGKGHHSQKLQO-MRXNPFEDSA-N 1 2 361.287 3.010 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC000153851030 496601487 /nfs/dbraw/zinc/60/14/87/496601487.db2.gz GQIHECXPCUDYNL-UHFFFAOYSA-N 1 2 373.453 3.484 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277434282 496771833 /nfs/dbraw/zinc/77/18/33/496771833.db2.gz IOXFRMRXAWNEID-MRXNPFEDSA-N 1 2 365.433 3.062 20 30 FGEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@]34CCOC4)c2)c1 ZINC000195010793 496789912 /nfs/dbraw/zinc/78/99/12/496789912.db2.gz RYXIPXZLLNVROK-QFIPXVFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@]34CCOC4)c2)c1 ZINC000195010793 496789918 /nfs/dbraw/zinc/78/99/18/496789918.db2.gz RYXIPXZLLNVROK-QFIPXVFZSA-N 1 2 364.445 3.129 20 30 FGEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000195121743 496826817 /nfs/dbraw/zinc/82/68/17/496826817.db2.gz UHZJWKFIHWYTKF-UHFFFAOYSA-N 1 2 368.462 3.174 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000191773230 496883976 /nfs/dbraw/zinc/88/39/76/496883976.db2.gz IYPZWOPGQVBDMF-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000191775036 496885088 /nfs/dbraw/zinc/88/50/88/496885088.db2.gz MISOIBOLJQFVHD-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)CCC1 ZINC000188732880 496890672 /nfs/dbraw/zinc/89/06/72/496890672.db2.gz UKVTZXJOHXYPRJ-UHFFFAOYSA-N 1 2 358.482 3.094 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000192256411 497050661 /nfs/dbraw/zinc/05/06/61/497050661.db2.gz SQGLMDWNDHSALS-UHFFFAOYSA-N 1 2 368.481 3.413 20 30 FGEDLO Cc1csc([C@@H](C#N)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000572068724 505881464 /nfs/dbraw/zinc/88/14/64/505881464.db2.gz OAXBZYICTHLTCW-INIZCTEOSA-N 1 2 357.504 3.490 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248863272 497119777 /nfs/dbraw/zinc/11/97/77/497119777.db2.gz XVYNYSJXUFQTKO-RBSFLKMASA-N 1 2 361.511 3.111 20 30 FGEDLO COc1ccc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc1OCCCC#N ZINC000270699868 497182217 /nfs/dbraw/zinc/18/22/17/497182217.db2.gz IGUHYWXDIHDKSP-CQSZACIVSA-N 1 2 357.458 3.470 20 30 FGEDLO C=CC[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC000249288963 497187698 /nfs/dbraw/zinc/18/76/98/497187698.db2.gz UVTVEFOJDABDNM-YLJYHZDGSA-N 1 2 365.477 3.283 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278977154 497288647 /nfs/dbraw/zinc/28/86/47/497288647.db2.gz QSEWFEVAVZPWBK-SECBINFHSA-N 1 2 354.357 3.323 20 30 FGEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1cc[nH+]c(N)c1 ZINC000193060861 497290249 /nfs/dbraw/zinc/29/02/49/497290249.db2.gz FMKMXLQTXFVENW-UHFFFAOYSA-N 1 2 371.441 3.452 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000193224803 497326856 /nfs/dbraw/zinc/32/68/56/497326856.db2.gz UDOVCAYGTJWGHK-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000193224803 497326858 /nfs/dbraw/zinc/32/68/58/497326858.db2.gz UDOVCAYGTJWGHK-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000272029449 497516843 /nfs/dbraw/zinc/51/68/43/497516843.db2.gz OWUWAGWQPUWTQH-UHFFFAOYSA-N 1 2 364.287 3.147 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000267327081 497527221 /nfs/dbraw/zinc/52/72/21/497527221.db2.gz IKLZHNALXWUJCN-ZTQAJYAQSA-N 1 2 372.428 3.205 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1c1ccccc1 ZINC000267327081 497527225 /nfs/dbraw/zinc/52/72/25/497527225.db2.gz IKLZHNALXWUJCN-ZTQAJYAQSA-N 1 2 372.428 3.205 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000280091956 497646332 /nfs/dbraw/zinc/64/63/32/497646332.db2.gz AAMNLFFQTLOIIT-UHFFFAOYSA-N 1 2 362.393 3.361 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000272555201 497661251 /nfs/dbraw/zinc/66/12/51/497661251.db2.gz FTHAHEVZWGPMDW-INIZCTEOSA-N 1 2 371.872 3.498 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000191270183 497763784 /nfs/dbraw/zinc/76/37/84/497763784.db2.gz XDXNGPPBYXOXDC-QGZVFWFLSA-N 1 2 360.255 3.233 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000191270183 497763789 /nfs/dbraw/zinc/76/37/89/497763789.db2.gz XDXNGPPBYXOXDC-QGZVFWFLSA-N 1 2 360.255 3.233 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@@H](C4CCCCC4)C3)[nH+]c2c1 ZINC000329640322 497853435 /nfs/dbraw/zinc/85/34/35/497853435.db2.gz ZIVUVJWTWBVKKK-GOSISDBHSA-N 1 2 356.470 3.338 20 30 FGEDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329648150 497856779 /nfs/dbraw/zinc/85/67/79/497856779.db2.gz BNOBKGKPIIMIOE-GOSISDBHSA-N 1 2 356.470 3.072 20 30 FGEDLO N#Cc1ncc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000581234763 505939980 /nfs/dbraw/zinc/93/99/80/505939980.db2.gz RSBQPYJSJAXMLB-UHFFFAOYSA-N 1 2 361.858 3.018 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329746638 497887221 /nfs/dbraw/zinc/88/72/21/497887221.db2.gz RXSKUQRHWDQJHI-YOEHRIQHSA-N 1 2 356.474 3.138 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329746638 497887223 /nfs/dbraw/zinc/88/72/23/497887223.db2.gz RXSKUQRHWDQJHI-YOEHRIQHSA-N 1 2 356.474 3.138 20 30 FGEDLO Cc1cnc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372370 497925300 /nfs/dbraw/zinc/92/53/00/497925300.db2.gz COVFYDNLBUZCJR-CABCVRRESA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1cnc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)s1 ZINC000364372370 497925306 /nfs/dbraw/zinc/92/53/06/497925306.db2.gz COVFYDNLBUZCJR-CABCVRRESA-N 1 2 372.519 3.370 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329892596 497942250 /nfs/dbraw/zinc/94/22/50/497942250.db2.gz AHMQGZPPZMPZRP-YFCNUHHJSA-N 1 2 362.514 3.180 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329892596 497942254 /nfs/dbraw/zinc/94/22/54/497942254.db2.gz AHMQGZPPZMPZRP-YFCNUHHJSA-N 1 2 362.514 3.180 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901751 497945193 /nfs/dbraw/zinc/94/51/93/497945193.db2.gz OVFRCQCVWIMKSI-PJIJBLCYSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901751 497945198 /nfs/dbraw/zinc/94/51/98/497945198.db2.gz OVFRCQCVWIMKSI-PJIJBLCYSA-N 1 2 360.454 3.324 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000329905457 497947020 /nfs/dbraw/zinc/94/70/20/497947020.db2.gz ATBFJRALMFWCMU-BXWFABGCSA-N 1 2 373.428 3.164 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000329905457 497947026 /nfs/dbraw/zinc/94/70/26/497947026.db2.gz ATBFJRALMFWCMU-BXWFABGCSA-N 1 2 373.428 3.164 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329919964 497952976 /nfs/dbraw/zinc/95/29/76/497952976.db2.gz GQZXYDIREYYOGC-QZTJIDSGSA-N 1 2 353.470 3.154 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000292326003 497971270 /nfs/dbraw/zinc/97/12/70/497971270.db2.gz WBJCDBOYVGWJLE-UHFFFAOYSA-N 1 2 351.834 3.087 20 30 FGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000292326003 497971276 /nfs/dbraw/zinc/97/12/76/497971276.db2.gz WBJCDBOYVGWJLE-UHFFFAOYSA-N 1 2 351.834 3.087 20 30 FGEDLO CCN1CCN(C(=O)NCC2(c3ccccc3C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329967397 497974004 /nfs/dbraw/zinc/97/40/04/497974004.db2.gz SKOCTEFVXTUBON-SFHVURJKSA-N 1 2 367.497 3.043 20 30 FGEDLO N#Cc1nc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)ccc1Cl ZINC000301165131 497979127 /nfs/dbraw/zinc/97/91/27/497979127.db2.gz VBYXXSALNLYRDG-KRWDZBQOSA-N 1 2 360.820 3.231 20 30 FGEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1coc2cc(F)ccc21 ZINC000330007454 497987372 /nfs/dbraw/zinc/98/73/72/497987372.db2.gz DNRCNNGSVGVYER-SFHVURJKSA-N 1 2 364.442 3.084 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519642 497998839 /nfs/dbraw/zinc/99/88/39/497998839.db2.gz CLVPXVAFUARANI-DZGCQCFKSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519642 497998842 /nfs/dbraw/zinc/99/88/42/497998842.db2.gz CLVPXVAFUARANI-DZGCQCFKSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519642 497998845 /nfs/dbraw/zinc/99/88/45/497998845.db2.gz CLVPXVAFUARANI-DZGCQCFKSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519642 497998851 /nfs/dbraw/zinc/99/88/51/497998851.db2.gz CLVPXVAFUARANI-DZGCQCFKSA-N 1 2 355.442 3.006 20 30 FGEDLO CCN1CCN(C(=O)Nc2nc3c(s2)CCCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330042947 498000526 /nfs/dbraw/zinc/00/05/26/498000526.db2.gz DYCURZCENMMZBB-AWEZNQCLSA-N 1 2 374.514 3.059 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330059124 498007372 /nfs/dbraw/zinc/00/73/72/498007372.db2.gz KLQPVPKVZMOSNH-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C2CC2)cc1 ZINC000330076946 498011648 /nfs/dbraw/zinc/01/16/48/498011648.db2.gz MQBLJSXYTKVFAR-ORYQWCPZSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C2CC2)cc1 ZINC000330076946 498011651 /nfs/dbraw/zinc/01/16/51/498011651.db2.gz MQBLJSXYTKVFAR-ORYQWCPZSA-N 1 2 358.482 3.282 20 30 FGEDLO Cc1cc(NC(=O)N2CCO[C@@H](C3CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000330125117 498030333 /nfs/dbraw/zinc/03/03/33/498030333.db2.gz IHABYIJTMFDQHE-CRAIPNDOSA-N 1 2 358.486 3.425 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129044 498031317 /nfs/dbraw/zinc/03/13/17/498031317.db2.gz OBJOFXHEGNDZJB-VBHSOAQHSA-N 1 2 354.397 3.211 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330129044 498031322 /nfs/dbraw/zinc/03/13/22/498031322.db2.gz OBJOFXHEGNDZJB-VBHSOAQHSA-N 1 2 354.397 3.211 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330139633 498035548 /nfs/dbraw/zinc/03/55/48/498035548.db2.gz OZDSUCROSFUWOE-DOTOQJQBSA-N 1 2 359.470 3.347 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330139633 498035555 /nfs/dbraw/zinc/03/55/55/498035555.db2.gz OZDSUCROSFUWOE-DOTOQJQBSA-N 1 2 359.470 3.347 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330253796 498080144 /nfs/dbraw/zinc/08/01/44/498080144.db2.gz JBUKUVVOLIJLQJ-FVQBIDKESA-N 1 2 366.531 3.156 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000330253796 498080151 /nfs/dbraw/zinc/08/01/51/498080151.db2.gz JBUKUVVOLIJLQJ-FVQBIDKESA-N 1 2 366.531 3.156 20 30 FGEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330264331 498085077 /nfs/dbraw/zinc/08/50/77/498085077.db2.gz XUEBBBWBQBMDPJ-NVXWUHKLSA-N 1 2 358.417 3.315 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000575451978 505977279 /nfs/dbraw/zinc/97/72/79/505977279.db2.gz AYBLAKGCXYOJSI-MRXNPFEDSA-N 1 2 371.510 3.034 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(C#N)c1C ZINC000575451978 505977283 /nfs/dbraw/zinc/97/72/83/505977283.db2.gz AYBLAKGCXYOJSI-MRXNPFEDSA-N 1 2 371.510 3.034 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCOC[C@H]3C)n2)C1 ZINC000330315584 498102996 /nfs/dbraw/zinc/10/29/96/498102996.db2.gz YUPOENRAHFNPIG-UMVBOHGHSA-N 1 2 352.504 3.126 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCOC[C@H]3C)n2)C1 ZINC000330315584 498103000 /nfs/dbraw/zinc/10/30/00/498103000.db2.gz YUPOENRAHFNPIG-UMVBOHGHSA-N 1 2 352.504 3.126 20 30 FGEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)Nc2scnc2C2CC2)C1 ZINC000330328353 498106779 /nfs/dbraw/zinc/10/67/79/498106779.db2.gz LPZPCJDBOSDRSZ-CYBMUJFWSA-N 1 2 373.482 3.180 20 30 FGEDLO C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)NC1=O ZINC000330334430 498109030 /nfs/dbraw/zinc/10/90/30/498109030.db2.gz QRBVLBRVZUYMFG-OZVIIMIRSA-N 1 2 370.409 3.014 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330340414 498109978 /nfs/dbraw/zinc/10/99/78/498109978.db2.gz XXMLMPLCMGNYCE-KRWDZBQOSA-N 1 2 366.469 3.122 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ncc(C(C)(C)C)s2)CCO1 ZINC000330343299 498111212 /nfs/dbraw/zinc/11/12/12/498111212.db2.gz BVIASVJDRLKAOK-AAEUAGOBSA-N 1 2 363.487 3.420 20 30 FGEDLO CCc1ccc(CC)c(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000330343385 498111252 /nfs/dbraw/zinc/11/12/52/498111252.db2.gz BYNIUHFKIQVOQK-GOSISDBHSA-N 1 2 355.486 3.459 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C([O-])=[NH+]c2ccnnc2C)CC1 ZINC000330356969 498117568 /nfs/dbraw/zinc/11/75/68/498117568.db2.gz SHLQIIJVXNLCCD-UHFFFAOYSA-N 1 2 350.426 3.326 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281449127 498154420 /nfs/dbraw/zinc/15/44/20/498154420.db2.gz UNVVHFLLIRIPKY-UHFFFAOYSA-N 1 2 359.779 3.102 20 30 FGEDLO C=CCN1CC[C@H]([NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)C1=O ZINC000281493941 498170041 /nfs/dbraw/zinc/17/00/41/498170041.db2.gz XQFHDESHXHRCDW-ICSRJNTNSA-N 1 2 360.461 3.039 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)c1C#N ZINC000289502763 498170385 /nfs/dbraw/zinc/17/03/85/498170385.db2.gz QAWNONDHJQJZMS-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO CCc1nocc1C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000292869625 498177283 /nfs/dbraw/zinc/17/72/83/498177283.db2.gz AXTNHJLMSYHODJ-UHFFFAOYSA-N 1 2 350.422 3.420 20 30 FGEDLO CCc1nocc1C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000292869625 498177290 /nfs/dbraw/zinc/17/72/90/498177290.db2.gz AXTNHJLMSYHODJ-UHFFFAOYSA-N 1 2 350.422 3.420 20 30 FGEDLO CS[C@H](CO)[C@H](C)NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330770984 498189814 /nfs/dbraw/zinc/18/98/14/498189814.db2.gz BQSAJGGNIHKNNU-IJEWVQPXSA-N 1 2 366.531 3.207 20 30 FGEDLO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000578673828 505994520 /nfs/dbraw/zinc/99/45/20/505994520.db2.gz MVDAPBBXHACBND-INIZCTEOSA-N 1 2 357.479 3.037 20 30 FGEDLO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000578673828 505994524 /nfs/dbraw/zinc/99/45/24/505994524.db2.gz MVDAPBBXHACBND-INIZCTEOSA-N 1 2 357.479 3.037 20 30 FGEDLO N#Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301623525 498193319 /nfs/dbraw/zinc/19/33/19/498193319.db2.gz FNHMQVHYINLWAG-INIZCTEOSA-N 1 2 361.361 3.067 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000285764784 498194442 /nfs/dbraw/zinc/19/44/42/498194442.db2.gz SWRUOYPHDIELKZ-KDOFPFPSSA-N 1 2 354.429 3.281 20 30 FGEDLO CC(C)(C)c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000331358179 498308602 /nfs/dbraw/zinc/30/86/02/498308602.db2.gz UVHUEBAAAMQCLI-UHFFFAOYSA-N 1 2 363.458 3.308 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289968068 498374975 /nfs/dbraw/zinc/37/49/75/498374975.db2.gz WYOHDBURDKMVLE-LSDHHAIUSA-N 1 2 365.424 3.307 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289968068 498374980 /nfs/dbraw/zinc/37/49/80/498374980.db2.gz WYOHDBURDKMVLE-LSDHHAIUSA-N 1 2 365.424 3.307 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331592719 498386072 /nfs/dbraw/zinc/38/60/72/498386072.db2.gz MXRWRRRISWXMEU-KUHUBIRLSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1C#N ZINC000331592719 498386076 /nfs/dbraw/zinc/38/60/76/498386076.db2.gz MXRWRRRISWXMEU-KUHUBIRLSA-N 1 2 372.513 3.123 20 30 FGEDLO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1Cl)CCC2 ZINC000365428408 498462210 /nfs/dbraw/zinc/46/22/10/498462210.db2.gz NEFCRHSYBKVMJI-INIZCTEOSA-N 1 2 362.836 3.361 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)c(C)c1C ZINC000331912190 498497921 /nfs/dbraw/zinc/49/79/21/498497921.db2.gz IGUHGWCTQBILFD-UHFFFAOYSA-N 1 2 369.494 3.100 20 30 FGEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000282447473 498516669 /nfs/dbraw/zinc/51/66/69/498516669.db2.gz ZZRZLKTYRROWCF-HUUCEWRRSA-N 1 2 360.531 3.317 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000365548011 498526219 /nfs/dbraw/zinc/52/62/19/498526219.db2.gz BKODKKABRGLXMG-GOSISDBHSA-N 1 2 366.465 3.247 20 30 FGEDLO Cc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C#N)cc1N(C)C ZINC000332014697 498532732 /nfs/dbraw/zinc/53/27/32/498532732.db2.gz GFDNELZVVNYUBO-INIZCTEOSA-N 1 2 352.442 3.415 20 30 FGEDLO C=CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000290530189 498587212 /nfs/dbraw/zinc/58/72/12/498587212.db2.gz VFOWUIGQLVOTLG-UKYUDJEDSA-N 1 2 371.449 3.366 20 30 FGEDLO C=CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000290530189 498587219 /nfs/dbraw/zinc/58/72/19/498587219.db2.gz VFOWUIGQLVOTLG-UKYUDJEDSA-N 1 2 371.449 3.366 20 30 FGEDLO Cc1nsc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C#N ZINC000294119552 498594879 /nfs/dbraw/zinc/59/48/79/498594879.db2.gz DPFAWLGRETWOKE-LBPRGKRZSA-N 1 2 361.496 3.295 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000363013457 498603808 /nfs/dbraw/zinc/60/38/08/498603808.db2.gz BFVABTRAAAAZDT-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)no1 ZINC000363013457 498603812 /nfs/dbraw/zinc/60/38/12/498603812.db2.gz BFVABTRAAAAZDT-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222026 498608122 /nfs/dbraw/zinc/60/81/22/498608122.db2.gz WEGUOIRDOMOWBQ-HOTGVXAUSA-N 1 2 373.501 3.104 20 30 FGEDLO CC(C)c1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222026 498608130 /nfs/dbraw/zinc/60/81/30/498608130.db2.gz WEGUOIRDOMOWBQ-HOTGVXAUSA-N 1 2 373.501 3.104 20 30 FGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000302914867 498625419 /nfs/dbraw/zinc/62/54/19/498625419.db2.gz VHAPOOVVYFVRLQ-INIZCTEOSA-N 1 2 369.494 3.323 20 30 FGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000302914867 498625426 /nfs/dbraw/zinc/62/54/26/498625426.db2.gz VHAPOOVVYFVRLQ-INIZCTEOSA-N 1 2 369.494 3.323 20 30 FGEDLO Cc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000332508158 498707030 /nfs/dbraw/zinc/70/70/30/498707030.db2.gz LFTJSQQUNJSPNG-GFCCVEGCSA-N 1 2 355.467 3.130 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000332542343 498719859 /nfs/dbraw/zinc/71/98/59/498719859.db2.gz XVZVXTFHCBWCHL-IBGZPJMESA-N 1 2 368.481 3.296 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000298387650 498753281 /nfs/dbraw/zinc/75/32/81/498753281.db2.gz JGEQWYQZMBALMS-JQFCIGGWSA-N 1 2 355.417 3.030 20 30 FGEDLO CN(C)C(=O)N1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)C1 ZINC000570133429 506097437 /nfs/dbraw/zinc/09/74/37/506097437.db2.gz MMFTTXGPOFZDAK-UHFFFAOYSA-N 1 2 368.403 3.155 20 30 FGEDLO CN(C)C(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)C1 ZINC000570133429 506097440 /nfs/dbraw/zinc/09/74/40/506097440.db2.gz MMFTTXGPOFZDAK-UHFFFAOYSA-N 1 2 368.403 3.155 20 30 FGEDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363493178 498848084 /nfs/dbraw/zinc/84/80/84/498848084.db2.gz MOWBZGLUARFLKV-CYBMUJFWSA-N 1 2 351.435 3.146 20 30 FGEDLO COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366285021 498857436 /nfs/dbraw/zinc/85/74/36/498857436.db2.gz PDKXPJIFOVLKBV-UHFFFAOYSA-N 1 2 366.252 3.302 20 30 FGEDLO Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C)CO1 ZINC000328616366 498876199 /nfs/dbraw/zinc/87/61/99/498876199.db2.gz SMOTTWSNCPBDCQ-AOIWGVFYSA-N 1 2 368.481 3.445 20 30 FGEDLO Cc1cc2cc[nH]c2cc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000328620531 498877555 /nfs/dbraw/zinc/87/75/55/498877555.db2.gz WYTDWGLCNNGOOI-QGZVFWFLSA-N 1 2 356.470 3.064 20 30 FGEDLO Cc1cc2cc[nH]c2cc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000328620531 498877562 /nfs/dbraw/zinc/87/75/62/498877562.db2.gz WYTDWGLCNNGOOI-QGZVFWFLSA-N 1 2 356.470 3.064 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573060615 506107628 /nfs/dbraw/zinc/10/76/28/506107628.db2.gz FXFJASUXNYCPTL-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)c1 ZINC000295158265 498928420 /nfs/dbraw/zinc/92/84/20/498928420.db2.gz MTXSOMRUJGSJKS-GOSISDBHSA-N 1 2 350.466 3.466 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)c1 ZINC000295158265 498928424 /nfs/dbraw/zinc/92/84/24/498928424.db2.gz MTXSOMRUJGSJKS-GOSISDBHSA-N 1 2 350.466 3.466 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328836439 498955563 /nfs/dbraw/zinc/95/55/63/498955563.db2.gz MSHPPLGXGVRELJ-SOUVJXGZSA-N 1 2 368.840 3.138 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328836439 498955570 /nfs/dbraw/zinc/95/55/70/498955570.db2.gz MSHPPLGXGVRELJ-SOUVJXGZSA-N 1 2 368.840 3.138 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000328880862 498972346 /nfs/dbraw/zinc/97/23/46/498972346.db2.gz WGAFECLEGQCUBZ-DOMZBBRYSA-N 1 2 360.458 3.500 20 30 FGEDLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000329035688 499020844 /nfs/dbraw/zinc/02/08/44/499020844.db2.gz YPIGZDYXVMIERF-UHFFFAOYSA-N 1 2 374.876 3.163 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)n1 ZINC000329042632 499023748 /nfs/dbraw/zinc/02/37/48/499023748.db2.gz TXOBHRCCFPBWLK-DLBZAZTESA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1csc(-c2cccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2)n1 ZINC000329042632 499023750 /nfs/dbraw/zinc/02/37/50/499023750.db2.gz TXOBHRCCFPBWLK-DLBZAZTESA-N 1 2 372.494 3.069 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+][C@H]1CC(C)(C)OC1(C)C)C2 ZINC000329238819 499081416 /nfs/dbraw/zinc/08/14/16/499081416.db2.gz LKWHBXLXAYBGRO-KGLIPLIRSA-N 1 2 362.518 3.345 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N[C@H]1CC(C)(C)OC1(C)C)C2 ZINC000329238819 499081419 /nfs/dbraw/zinc/08/14/19/499081419.db2.gz LKWHBXLXAYBGRO-KGLIPLIRSA-N 1 2 362.518 3.345 20 30 FGEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329317213 499097870 /nfs/dbraw/zinc/09/78/70/499097870.db2.gz HTRAHTXDIGMZJR-UBDQQSCGSA-N 1 2 360.502 3.455 20 30 FGEDLO O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329349699 499105169 /nfs/dbraw/zinc/10/51/69/499105169.db2.gz SSDVKAJMZOJTPF-IBGZPJMESA-N 1 2 359.445 3.449 20 30 FGEDLO O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329349699 499105175 /nfs/dbraw/zinc/10/51/75/499105175.db2.gz SSDVKAJMZOJTPF-IBGZPJMESA-N 1 2 359.445 3.449 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892626 499108354 /nfs/dbraw/zinc/10/83/54/499108354.db2.gz KLYRTVMNWBGQTK-RTBURBONSA-N 1 2 366.465 3.009 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892626 499108359 /nfs/dbraw/zinc/10/83/59/499108359.db2.gz KLYRTVMNWBGQTK-RTBURBONSA-N 1 2 366.465 3.009 20 30 FGEDLO O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329369678 499110870 /nfs/dbraw/zinc/11/08/70/499110870.db2.gz IJDYJKOFYBWYJP-MAUKXSAKSA-N 1 2 357.454 3.362 20 30 FGEDLO O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329369678 499110875 /nfs/dbraw/zinc/11/08/75/499110875.db2.gz IJDYJKOFYBWYJP-MAUKXSAKSA-N 1 2 357.454 3.362 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)o2)c1 ZINC000329457533 499124373 /nfs/dbraw/zinc/12/43/73/499124373.db2.gz QOALIHIRPZFXSL-SFHVURJKSA-N 1 2 352.438 3.389 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)o2)c1 ZINC000329457533 499124375 /nfs/dbraw/zinc/12/43/75/499124375.db2.gz QOALIHIRPZFXSL-SFHVURJKSA-N 1 2 352.438 3.389 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1Cc3ccccc3CO1)C2 ZINC000329464377 499125358 /nfs/dbraw/zinc/12/53/58/499125358.db2.gz UXDORRWBVVSWIF-MRXNPFEDSA-N 1 2 354.454 3.357 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)[nH]1 ZINC000329497123 499128117 /nfs/dbraw/zinc/12/81/17/499128117.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)[nH]1 ZINC000329497123 499128118 /nfs/dbraw/zinc/12/81/18/499128118.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n1 ZINC000329497123 499128119 /nfs/dbraw/zinc/12/81/19/499128119.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n1 ZINC000329497123 499128120 /nfs/dbraw/zinc/12/81/20/499128120.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n[nH]1 ZINC000329497123 499128121 /nfs/dbraw/zinc/12/81/21/499128121.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)n[nH]1 ZINC000329497123 499128122 /nfs/dbraw/zinc/12/81/22/499128122.db2.gz XLNKIRUHIJCQGT-AEFFLSMTSA-N 1 2 353.470 3.327 20 30 FGEDLO O=C(NCc1nc2ccccc2n1C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329522993 499129055 /nfs/dbraw/zinc/12/90/55/499129055.db2.gz PRBKMMAEESHIDJ-AWEZNQCLSA-N 1 2 364.453 3.388 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258464 499169439 /nfs/dbraw/zinc/16/94/39/499169439.db2.gz CVDABEFUJPLQNK-YRXWBPOGSA-N 1 2 368.525 3.268 20 30 FGEDLO COc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)cc1C#N ZINC000367370056 499189708 /nfs/dbraw/zinc/18/97/08/499189708.db2.gz AEJXBWAMNUDUJM-HXUWFJFHSA-N 1 2 350.397 3.319 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000367376754 499190851 /nfs/dbraw/zinc/19/08/51/499190851.db2.gz DXPRQRPWRVIICO-UHFFFAOYSA-N 1 2 352.344 3.167 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cscc3C#N)CC2)c1 ZINC000576365489 506141381 /nfs/dbraw/zinc/14/13/81/506141381.db2.gz YAQIONYTUWEKCB-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000371051364 499284094 /nfs/dbraw/zinc/28/40/94/499284094.db2.gz CZIAWEJVZBRNBK-HNNXBMFYSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000371051364 499284096 /nfs/dbraw/zinc/28/40/96/499284096.db2.gz CZIAWEJVZBRNBK-HNNXBMFYSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000371051364 499284098 /nfs/dbraw/zinc/28/40/98/499284098.db2.gz CZIAWEJVZBRNBK-HNNXBMFYSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000371051364 499284100 /nfs/dbraw/zinc/28/41/00/499284100.db2.gz CZIAWEJVZBRNBK-HNNXBMFYSA-N 1 2 369.494 3.152 20 30 FGEDLO Cc1cc(C=C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)no1 ZINC000368564888 499307973 /nfs/dbraw/zinc/30/79/73/499307973.db2.gz XGOXXVWCMAGWMZ-UHFFFAOYSA-N 1 2 364.449 3.409 20 30 FGEDLO Cc1cccnc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000368962210 499351138 /nfs/dbraw/zinc/35/11/38/499351138.db2.gz UZRJAMKRIYFJJB-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000369004209 499356003 /nfs/dbraw/zinc/35/60/03/499356003.db2.gz QFHQREHCWUUTBO-MRXNPFEDSA-N 1 2 373.844 3.459 20 30 FGEDLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 ZINC000369004209 499356005 /nfs/dbraw/zinc/35/60/05/499356005.db2.gz QFHQREHCWUUTBO-MRXNPFEDSA-N 1 2 373.844 3.459 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000371923977 499380168 /nfs/dbraw/zinc/38/01/68/499380168.db2.gz WQUPUSWWILMGKM-SJORKVTESA-N 1 2 355.463 3.417 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000371923977 499380170 /nfs/dbraw/zinc/38/01/70/499380170.db2.gz WQUPUSWWILMGKM-SJORKVTESA-N 1 2 355.463 3.417 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369244695 499382541 /nfs/dbraw/zinc/38/25/41/499382541.db2.gz SVWJLUMYGOGDGF-GOSISDBHSA-N 1 2 360.465 3.099 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369244695 499382542 /nfs/dbraw/zinc/38/25/42/499382542.db2.gz SVWJLUMYGOGDGF-GOSISDBHSA-N 1 2 360.465 3.099 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCCOc1cccc(C#N)c1 ZINC000372994006 499446494 /nfs/dbraw/zinc/44/64/94/499446494.db2.gz ZEIPBTIMARIDOI-UHFFFAOYSA-N 1 2 366.465 3.299 20 30 FGEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)ccc1N1CCOCC1 ZINC000373279130 499461140 /nfs/dbraw/zinc/46/11/40/499461140.db2.gz CVYVVDAYTMRFOF-HUUJSLGLSA-N 1 2 355.482 3.483 20 30 FGEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)ccc1N1CCOCC1 ZINC000373279131 499461364 /nfs/dbraw/zinc/46/13/64/499461364.db2.gz CVYVVDAYTMRFOF-PXCRPINLSA-N 1 2 355.482 3.483 20 30 FGEDLO N#CCc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cc1 ZINC000373509281 499474122 /nfs/dbraw/zinc/47/41/22/499474122.db2.gz LWZRDGCNUWCLFA-UHFFFAOYSA-N 1 2 374.366 3.129 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000378260330 499495520 /nfs/dbraw/zinc/49/55/20/499495520.db2.gz HAZZZWVQMPOISB-GOSISDBHSA-N 1 2 371.444 3.236 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000378368265 499507639 /nfs/dbraw/zinc/50/76/39/499507639.db2.gz GJCNTTFYUGHYHV-GOSISDBHSA-N 1 2 352.438 3.205 20 30 FGEDLO Cc1[nH+]c(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c2n1CCCC2 ZINC000378487225 499523072 /nfs/dbraw/zinc/52/30/72/499523072.db2.gz ZAACCKFQFSQJII-UHFFFAOYSA-N 1 2 360.465 3.090 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](CC=C)Cc2cc(Br)ccc2F)C1=O ZINC000410341185 499655954 /nfs/dbraw/zinc/65/59/54/499655954.db2.gz UPYAULLEXBHMCV-INIZCTEOSA-N 1 2 367.262 3.363 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](CC=C)Cc2cc(Br)ccc2F)C1=O ZINC000410341185 499655956 /nfs/dbraw/zinc/65/59/56/499655956.db2.gz UPYAULLEXBHMCV-INIZCTEOSA-N 1 2 367.262 3.363 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](CC)Cc2cc(Br)ccc2F)C1=O ZINC000410341285 499656016 /nfs/dbraw/zinc/65/60/16/499656016.db2.gz SWUGNZDTDZVLEQ-HNNXBMFYSA-N 1 2 355.251 3.197 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](CC)Cc2cc(Br)ccc2F)C1=O ZINC000410341285 499656018 /nfs/dbraw/zinc/65/60/18/499656018.db2.gz SWUGNZDTDZVLEQ-HNNXBMFYSA-N 1 2 355.251 3.197 20 30 FGEDLO Cc1nc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3Cl)C2)ccc1C#N ZINC000377125125 499664245 /nfs/dbraw/zinc/66/42/45/499664245.db2.gz BLRUSTOBFUSCST-SFHVURJKSA-N 1 2 354.841 3.044 20 30 FGEDLO Cc1nc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3Cl)C2)ccc1C#N ZINC000377125125 499664246 /nfs/dbraw/zinc/66/42/46/499664246.db2.gz BLRUSTOBFUSCST-SFHVURJKSA-N 1 2 354.841 3.044 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377681240 499718939 /nfs/dbraw/zinc/71/89/39/499718939.db2.gz WIQJJLVMFGVUSA-LJQANCHMSA-N 1 2 353.447 3.028 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377681240 499718941 /nfs/dbraw/zinc/71/89/41/499718941.db2.gz WIQJJLVMFGVUSA-LJQANCHMSA-N 1 2 353.447 3.028 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000414162693 499764861 /nfs/dbraw/zinc/76/48/61/499764861.db2.gz DUGUYSIRJIWWBX-KRWDZBQOSA-N 1 2 372.852 3.156 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000414162693 499764862 /nfs/dbraw/zinc/76/48/62/499764862.db2.gz DUGUYSIRJIWWBX-KRWDZBQOSA-N 1 2 372.852 3.156 20 30 FGEDLO Cc1ccc2c(Cl)cc(Cl)c(OC[C@@H](O)C[N@H+](C)CCC#N)c2n1 ZINC000414170687 499765494 /nfs/dbraw/zinc/76/54/94/499765494.db2.gz WMQWDCOHLYIOMT-LBPRGKRZSA-N 1 2 368.264 3.435 20 30 FGEDLO Cc1ccc2c(Cl)cc(Cl)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c2n1 ZINC000414170687 499765495 /nfs/dbraw/zinc/76/54/95/499765495.db2.gz WMQWDCOHLYIOMT-LBPRGKRZSA-N 1 2 368.264 3.435 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]=c2[nH]c3cc4c(cc3[nH]2)OCO4)c1 ZINC000414312892 499776807 /nfs/dbraw/zinc/77/68/07/499776807.db2.gz XKGBFNWGHCDXIP-UHFFFAOYSA-N 1 2 350.378 3.008 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1OC ZINC000414511050 499801163 /nfs/dbraw/zinc/80/11/63/499801163.db2.gz WWWITSFHZYHXPU-UHFFFAOYSA-N 1 2 353.344 3.359 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CCC(C)(C)C#N ZINC000573288598 506161670 /nfs/dbraw/zinc/16/16/70/506161670.db2.gz AVFZRDPAYUREIK-MRXNPFEDSA-N 1 2 374.510 3.079 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c2[nH+]ccn21 ZINC000573300135 506165958 /nfs/dbraw/zinc/16/59/58/506165958.db2.gz NUOULCOFKAQBQT-PBHICJAKSA-N 1 2 360.421 3.096 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCCOc1cccc(I)c1 ZINC000428872525 499952012 /nfs/dbraw/zinc/95/20/12/499952012.db2.gz NXUQAUAIVSVQKI-UHFFFAOYSA-N 1 2 370.234 3.462 20 30 FGEDLO C=CC[N@H+](CCC#N)CCCOc1cccc(I)c1 ZINC000428872525 499952014 /nfs/dbraw/zinc/95/20/14/499952014.db2.gz NXUQAUAIVSVQKI-UHFFFAOYSA-N 1 2 370.234 3.462 20 30 FGEDLO Cc1cnc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000428973992 499971943 /nfs/dbraw/zinc/97/19/43/499971943.db2.gz ZASWQDABJXNKDR-BEFAXECRSA-N 1 2 355.873 3.382 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429269311 500038859 /nfs/dbraw/zinc/03/88/59/500038859.db2.gz BHMFSVDDLDHGGH-FQEVSTJZSA-N 1 2 356.429 3.419 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425417301 500099330 /nfs/dbraw/zinc/09/93/30/500099330.db2.gz HKDZYMCILVVIGT-UHFFFAOYSA-N 1 2 357.545 3.150 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425417301 500099334 /nfs/dbraw/zinc/09/93/34/500099334.db2.gz HKDZYMCILVVIGT-UHFFFAOYSA-N 1 2 357.545 3.150 20 30 FGEDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000425504992 500126146 /nfs/dbraw/zinc/12/61/46/500126146.db2.gz ACJNGTUSOJWBJB-HXUWFJFHSA-N 1 2 368.437 3.162 20 30 FGEDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000425504992 500126151 /nfs/dbraw/zinc/12/61/51/500126151.db2.gz ACJNGTUSOJWBJB-HXUWFJFHSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)c1ccc(-n2ccnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414096563 500152884 /nfs/dbraw/zinc/15/28/84/500152884.db2.gz LSZWHOTUMYGQBX-GOSISDBHSA-N 1 2 358.511 3.294 20 30 FGEDLO CC(C)c1ccc(-n2ccnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414096563 500152888 /nfs/dbraw/zinc/15/28/88/500152888.db2.gz LSZWHOTUMYGQBX-GOSISDBHSA-N 1 2 358.511 3.294 20 30 FGEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000419373630 500358946 /nfs/dbraw/zinc/35/89/46/500358946.db2.gz OMVORAHPPDPNHT-WOJBJXKFSA-N 1 2 352.409 3.449 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419607880 500383937 /nfs/dbraw/zinc/38/39/37/500383937.db2.gz BPHQCSMZZRLMMK-FQEVSTJZSA-N 1 2 364.449 3.056 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000427795819 500433828 /nfs/dbraw/zinc/43/38/28/500433828.db2.gz FZKVTNOVQUVVQS-HZPDHXFCSA-N 1 2 352.500 3.004 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2cncc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000420586092 500475413 /nfs/dbraw/zinc/47/54/13/500475413.db2.gz ODUNIXOCORRGKJ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2cncc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000420586092 500475416 /nfs/dbraw/zinc/47/54/16/500475416.db2.gz ODUNIXOCORRGKJ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582393534 506200981 /nfs/dbraw/zinc/20/09/81/506200981.db2.gz LZTASMBPKUVVKH-KRWDZBQOSA-N 1 2 351.454 3.006 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000582393534 506200982 /nfs/dbraw/zinc/20/09/82/506200982.db2.gz LZTASMBPKUVVKH-KRWDZBQOSA-N 1 2 351.454 3.006 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)C1=O ZINC000428784431 500556953 /nfs/dbraw/zinc/55/69/53/500556953.db2.gz YDCGYURKNRRATF-JQFCIGGWSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)C1=O ZINC000428784431 500556955 /nfs/dbraw/zinc/55/69/55/500556955.db2.gz YDCGYURKNRRATF-JQFCIGGWSA-N 1 2 368.399 3.254 20 30 FGEDLO CCCCOc1c(Cl)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000573494382 506203943 /nfs/dbraw/zinc/20/39/43/506203943.db2.gz HNVDTSMXPQHSPL-GOSISDBHSA-N 1 2 367.877 3.101 20 30 FGEDLO C=CCC[C@H](C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000433108659 500627552 /nfs/dbraw/zinc/62/75/52/500627552.db2.gz AFVQUGQVVXOOFR-OALUTQOASA-N 1 2 352.482 3.365 20 30 FGEDLO COc1cc(C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000437575150 500662565 /nfs/dbraw/zinc/66/25/65/500662565.db2.gz HEJGKPZXHAELRE-UHFFFAOYSA-N 1 2 368.452 3.012 20 30 FGEDLO CC(C)c1nc(N2CCN(c3cc(C#N)ccn3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433609138 500720825 /nfs/dbraw/zinc/72/08/25/500720825.db2.gz QXKAGXIMSVLOEJ-UHFFFAOYSA-N 1 2 364.497 3.491 20 30 FGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000443519990 500733143 /nfs/dbraw/zinc/73/31/43/500733143.db2.gz QEARGTJROQMQRH-UHFFFAOYSA-N 1 2 353.376 3.050 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439277594 500878865 /nfs/dbraw/zinc/87/88/65/500878865.db2.gz SNEFCXHUAQGXLV-CYBMUJFWSA-N 1 2 351.288 3.319 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439514 500896884 /nfs/dbraw/zinc/89/68/84/500896884.db2.gz MJHALTTUVZQHQQ-QRWLVFNGSA-N 1 2 362.820 3.057 20 30 FGEDLO N#Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(Cl)c1 ZINC000439439514 500896886 /nfs/dbraw/zinc/89/68/86/500896886.db2.gz MJHALTTUVZQHQQ-QRWLVFNGSA-N 1 2 362.820 3.057 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000439779773 500937965 /nfs/dbraw/zinc/93/79/65/500937965.db2.gz FBYLHCCCCUAWMI-QFUCXCTJSA-N 1 2 373.541 3.430 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000439779773 500937970 /nfs/dbraw/zinc/93/79/70/500937970.db2.gz FBYLHCCCCUAWMI-QFUCXCTJSA-N 1 2 373.541 3.430 20 30 FGEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000611606561 506226961 /nfs/dbraw/zinc/22/69/61/506226961.db2.gz DZNLKJREVLBSCB-QGZVFWFLSA-N 1 2 360.454 3.295 20 30 FGEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000611606561 506226964 /nfs/dbraw/zinc/22/69/64/506226964.db2.gz DZNLKJREVLBSCB-QGZVFWFLSA-N 1 2 360.454 3.295 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000440519826 501018820 /nfs/dbraw/zinc/01/88/20/501018820.db2.gz NNUKEQHLQMEXER-IBGZPJMESA-N 1 2 363.889 3.107 20 30 FGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000441543104 501153263 /nfs/dbraw/zinc/15/32/63/501153263.db2.gz FYSCWZFULXDJLS-CQSZACIVSA-N 1 2 354.385 3.489 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCO4)CC2)c(Cl)c1 ZINC000446915570 501180805 /nfs/dbraw/zinc/18/08/05/501180805.db2.gz FJECUARRGGPXPW-UHFFFAOYSA-N 1 2 355.825 3.263 20 30 FGEDLO Cc1ccc([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000450322423 501233562 /nfs/dbraw/zinc/23/35/62/501233562.db2.gz ZAIIDCDAELDQCA-INIZCTEOSA-N 1 2 372.450 3.322 20 30 FGEDLO N#CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000451294967 501258755 /nfs/dbraw/zinc/25/87/55/501258755.db2.gz JFYPQGXJVYSYFG-CQSZACIVSA-N 1 2 364.858 3.045 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCC(C)(C)C#N)c1 ZINC000451467267 501298794 /nfs/dbraw/zinc/29/87/94/501298794.db2.gz YHFADAJJDXKUTQ-HNNXBMFYSA-N 1 2 355.276 3.363 20 30 FGEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000451467267 501298797 /nfs/dbraw/zinc/29/87/97/501298797.db2.gz YHFADAJJDXKUTQ-HNNXBMFYSA-N 1 2 355.276 3.363 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455989461 501432740 /nfs/dbraw/zinc/43/27/40/501432740.db2.gz QJXSUXYNCZBCOQ-IBGZPJMESA-N 1 2 364.493 3.342 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000456834313 501607926 /nfs/dbraw/zinc/60/79/26/501607926.db2.gz JJSVHYAIOXRVNG-IBGZPJMESA-N 1 2 369.465 3.104 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000459254695 501620192 /nfs/dbraw/zinc/62/01/92/501620192.db2.gz FVPZGDKPGHIQLU-MSOLQXFVSA-N 1 2 351.454 3.351 20 30 FGEDLO COC(=O)C[C@](C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000459487233 501662230 /nfs/dbraw/zinc/66/22/30/501662230.db2.gz QUWMYCNEPVRSJB-IBGZPJMESA-N 1 2 371.368 3.174 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1ccn(C)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459782928 501713247 /nfs/dbraw/zinc/71/32/47/501713247.db2.gz HQJPYWPCEXIVIX-CHWSQXEVSA-N 1 2 371.510 3.300 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@@H](CC)O[C@@H](C)C3)c2C#N)C[C@H](C)O1 ZINC000596119062 506269195 /nfs/dbraw/zinc/26/91/95/506269195.db2.gz KARIGYIYZCZCJS-WNRNVDISSA-N 1 2 372.513 3.269 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3coc(-c4ccccc4)n3)C2=O)cc1 ZINC000485250067 501769406 /nfs/dbraw/zinc/76/94/06/501769406.db2.gz YNISAVUPLBTTTO-HXUWFJFHSA-N 1 2 372.428 3.498 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000467519961 501815478 /nfs/dbraw/zinc/81/54/78/501815478.db2.gz TZMNLAYBFYUTEV-GOSISDBHSA-N 1 2 358.873 3.053 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000467519961 501815483 /nfs/dbraw/zinc/81/54/83/501815483.db2.gz TZMNLAYBFYUTEV-GOSISDBHSA-N 1 2 358.873 3.053 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000485471842 501831362 /nfs/dbraw/zinc/83/13/62/501831362.db2.gz ZBQPNQNUKKZUQO-UHFFFAOYSA-N 1 2 353.491 3.318 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471001218 501888696 /nfs/dbraw/zinc/88/86/96/501888696.db2.gz NHAAZJGDTNFIOX-IBGZPJMESA-N 1 2 357.889 3.073 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000471008866 501890069 /nfs/dbraw/zinc/89/00/69/501890069.db2.gz USSXCBGRFLMPDV-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000471008866 501890072 /nfs/dbraw/zinc/89/00/72/501890072.db2.gz USSXCBGRFLMPDV-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000474791821 501953475 /nfs/dbraw/zinc/95/34/75/501953475.db2.gz JLLOVVPZKMMAFM-INIZCTEOSA-N 1 2 365.905 3.321 20 30 FGEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000474791823 501953871 /nfs/dbraw/zinc/95/38/71/501953871.db2.gz JLLOVVPZKMMAFM-MRXNPFEDSA-N 1 2 365.905 3.321 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464729008 502076904 /nfs/dbraw/zinc/07/69/04/502076904.db2.gz YXFXHRJQHJYWKY-KRWDZBQOSA-N 1 2 373.460 3.262 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000464820361 502105180 /nfs/dbraw/zinc/10/51/80/502105180.db2.gz FFVVLGXNQKPKBI-CTNGQTDRSA-N 1 2 358.445 3.168 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000464820361 502105186 /nfs/dbraw/zinc/10/51/86/502105186.db2.gz FFVVLGXNQKPKBI-CTNGQTDRSA-N 1 2 358.445 3.168 20 30 FGEDLO CCC[C@@H]1CN(c2cc(C)[nH+]c(N3CCO[C@H](CCC)C3)c2C#N)CCO1 ZINC000596181331 506296586 /nfs/dbraw/zinc/29/65/86/506296586.db2.gz ZYHICUDCHVOUNW-QZTJIDSGSA-N 1 2 372.513 3.272 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000486453502 502158604 /nfs/dbraw/zinc/15/86/04/502158604.db2.gz VGDURZIJJDHEJZ-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO C[C@H]1CN(c2ccc(NCc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000475431811 502170232 /nfs/dbraw/zinc/17/02/32/502170232.db2.gz OZIADMCRJAUVSC-STQMWFEESA-N 1 2 358.392 3.457 20 30 FGEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499043 502173131 /nfs/dbraw/zinc/17/31/31/502173131.db2.gz BYWGXYBHDHJRGI-KXBFYZLASA-N 1 2 366.465 3.227 20 30 FGEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499043 502173137 /nfs/dbraw/zinc/17/31/37/502173137.db2.gz BYWGXYBHDHJRGI-KXBFYZLASA-N 1 2 366.465 3.227 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940118 502245196 /nfs/dbraw/zinc/24/51/96/502245196.db2.gz JAFCNUPLPFUWHR-NKKGCODLSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940118 502245200 /nfs/dbraw/zinc/24/52/00/502245200.db2.gz JAFCNUPLPFUWHR-NKKGCODLSA-N 1 2 364.852 3.216 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000469054186 502279544 /nfs/dbraw/zinc/27/95/44/502279544.db2.gz QRQNPTWDTZSTFA-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1CCN(CCC#N)CC1 ZINC000602797047 506304495 /nfs/dbraw/zinc/30/44/95/506304495.db2.gz GGJHIMKQDKVNHX-INIZCTEOSA-N 1 2 361.449 3.482 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000462248057 502367719 /nfs/dbraw/zinc/36/77/19/502367719.db2.gz WFFCWGMIVSIRQO-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1F ZINC000483533253 502424223 /nfs/dbraw/zinc/42/42/23/502424223.db2.gz YTUNUJAQLTXJQN-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1F ZINC000483533253 502424227 /nfs/dbraw/zinc/42/42/27/502424227.db2.gz YTUNUJAQLTXJQN-OAQYLSRUSA-N 1 2 363.436 3.247 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)n[nH]1 ZINC000487372369 502428926 /nfs/dbraw/zinc/42/89/26/502428926.db2.gz ANDVICHHTNROIM-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)n[nH]1 ZINC000487372369 502428930 /nfs/dbraw/zinc/42/89/30/502428930.db2.gz ANDVICHHTNROIM-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3CCCO[C@H](CC)C3)c2C#N)CCCO1 ZINC000596220663 506317637 /nfs/dbraw/zinc/31/76/37/506317637.db2.gz QIVJIZIOMUPIHO-QZTJIDSGSA-N 1 2 372.513 3.272 20 30 FGEDLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483960737 502532388 /nfs/dbraw/zinc/53/23/88/502532388.db2.gz VNRSAIJFXGOFAR-UHFFFAOYSA-N 1 2 352.865 3.078 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)CCCCC1 ZINC000473178982 502537824 /nfs/dbraw/zinc/53/78/24/502537824.db2.gz UKRYQKUDWMXDEJ-UHFFFAOYSA-N 1 2 359.420 3.397 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)CCCCC1 ZINC000473178982 502537828 /nfs/dbraw/zinc/53/78/28/502537828.db2.gz UKRYQKUDWMXDEJ-UHFFFAOYSA-N 1 2 359.420 3.397 20 30 FGEDLO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cn1cc[nH+]c1 ZINC000473876872 502734777 /nfs/dbraw/zinc/73/47/77/502734777.db2.gz LVUSYNAUXANTNS-OAHLLOKOSA-N 1 2 361.405 3.008 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000488570353 502753634 /nfs/dbraw/zinc/75/36/34/502753634.db2.gz DXYLYBWYOKNBNQ-UHFFFAOYSA-N 1 2 373.884 3.164 20 30 FGEDLO C=CCn1cccc1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488735636 502797612 /nfs/dbraw/zinc/79/76/12/502797612.db2.gz OJMYTNHPQMOCJZ-UHFFFAOYSA-N 1 2 352.482 3.448 20 30 FGEDLO OCC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Br)s1 ZINC000485112173 502815990 /nfs/dbraw/zinc/81/59/90/502815990.db2.gz GCIJNXQTHLNKIG-UHFFFAOYSA-N 1 2 368.271 3.496 20 30 FGEDLO OCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Br)s1 ZINC000485112173 502815992 /nfs/dbraw/zinc/81/59/92/502815992.db2.gz GCIJNXQTHLNKIG-UHFFFAOYSA-N 1 2 368.271 3.496 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000505034588 502842746 /nfs/dbraw/zinc/84/27/46/502842746.db2.gz FLFQKTGPYDFCNH-IBGZPJMESA-N 1 2 364.836 3.393 20 30 FGEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000513088413 502849002 /nfs/dbraw/zinc/84/90/02/502849002.db2.gz HRVZHDRMHMTHJC-OAQYLSRUSA-N 1 2 374.423 3.300 20 30 FGEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000513088413 502849005 /nfs/dbraw/zinc/84/90/05/502849005.db2.gz HRVZHDRMHMTHJC-OAQYLSRUSA-N 1 2 374.423 3.300 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000505180475 502865152 /nfs/dbraw/zinc/86/51/52/502865152.db2.gz USMMSMXCKAEHRE-UHFFFAOYSA-N 1 2 371.843 3.238 20 30 FGEDLO COc1ccc(C(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000509393255 502891198 /nfs/dbraw/zinc/89/11/98/502891198.db2.gz OIHXTKKOKANQEX-NRFANRHFSA-N 1 2 363.461 3.150 20 30 FGEDLO N#C[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCN1Cc1ccccc1 ZINC000505438198 502904637 /nfs/dbraw/zinc/90/46/37/502904637.db2.gz NICRHDDVUZOJPY-JOCHJYFZSA-N 1 2 371.488 3.141 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000593020904 506341928 /nfs/dbraw/zinc/34/19/28/506341928.db2.gz HNXQBKCMKNKEQO-NRFANRHFSA-N 1 2 368.456 3.390 20 30 FGEDLO COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907063 506345877 /nfs/dbraw/zinc/34/58/77/506345877.db2.gz KZGGOJBCNYDNPL-IBGZPJMESA-N 1 2 353.397 3.186 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510347088 503097133 /nfs/dbraw/zinc/09/71/33/503097133.db2.gz GTVSUEUNRASYIR-KRWDZBQOSA-N 1 2 369.425 3.177 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000514525093 503133851 /nfs/dbraw/zinc/13/38/51/503133851.db2.gz SQYLHMYRUZAMOT-HNNXBMFYSA-N 1 2 367.946 3.108 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1C ZINC000602926879 506355965 /nfs/dbraw/zinc/35/59/65/506355965.db2.gz SKSDAAZGEFWMTR-UHFFFAOYSA-N 1 2 359.499 3.140 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1C ZINC000602926879 506355967 /nfs/dbraw/zinc/35/59/67/506355967.db2.gz SKSDAAZGEFWMTR-UHFFFAOYSA-N 1 2 359.499 3.140 20 30 FGEDLO CN(C)c1ccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)c[nH+]1 ZINC000507097839 503231222 /nfs/dbraw/zinc/23/12/22/503231222.db2.gz KIVDZZDLFOKLSU-UHFFFAOYSA-N 1 2 369.375 3.203 20 30 FGEDLO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502766702 503267296 /nfs/dbraw/zinc/26/72/96/503267296.db2.gz UIIIPOIKRYOZLH-ZDUSSCGKSA-N 1 2 354.479 3.353 20 30 FGEDLO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000502766702 503267301 /nfs/dbraw/zinc/26/73/01/503267301.db2.gz UIIIPOIKRYOZLH-ZDUSSCGKSA-N 1 2 354.479 3.353 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507306256 503274357 /nfs/dbraw/zinc/27/43/57/503274357.db2.gz QFXDBETXHDCPCT-LXZJYRNTSA-N 1 2 368.525 3.010 20 30 FGEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1Cl ZINC000498926929 503296693 /nfs/dbraw/zinc/29/66/93/503296693.db2.gz XCKVIFVBXRURQD-UHFFFAOYSA-N 1 2 374.916 3.348 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC4(CC3)C(F)(F)C4(F)F)C2=O)cc1 ZINC000593055322 506364661 /nfs/dbraw/zinc/36/46/61/506364661.db2.gz SNXVWKRAUOEEHI-AWEZNQCLSA-N 1 2 367.346 3.030 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Cc3nccs3)CC2)C1=O ZINC000602955961 506365302 /nfs/dbraw/zinc/36/53/02/506365302.db2.gz MULXQEIGMXQSHF-HNNXBMFYSA-N 1 2 372.519 3.136 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](CC)CO1 ZINC000593057569 506365838 /nfs/dbraw/zinc/36/58/38/506365838.db2.gz FVELRENJMFHKEO-OALUTQOASA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](CC)CO1 ZINC000593057569 506365847 /nfs/dbraw/zinc/36/58/47/506365847.db2.gz FVELRENJMFHKEO-OALUTQOASA-N 1 2 357.498 3.440 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000492627946 503378078 /nfs/dbraw/zinc/37/80/78/503378078.db2.gz LJGSBJJRCCRORN-QGZVFWFLSA-N 1 2 363.933 3.443 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000492627946 503378080 /nfs/dbraw/zinc/37/80/80/503378080.db2.gz LJGSBJJRCCRORN-QGZVFWFLSA-N 1 2 363.933 3.443 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000507858026 503381115 /nfs/dbraw/zinc/38/11/15/503381115.db2.gz BTPWBACKMKXEJI-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO N#Cc1nnc2ccccc2c1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000511863502 503402929 /nfs/dbraw/zinc/40/29/29/503402929.db2.gz JOVMKWPSHOEUNF-UHFFFAOYSA-N 1 2 370.391 3.389 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974594 506369749 /nfs/dbraw/zinc/36/97/49/506369749.db2.gz QMRINQMZOFNEIO-HOTGVXAUSA-N 1 2 353.388 3.202 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974594 506369754 /nfs/dbraw/zinc/36/97/54/506369754.db2.gz QMRINQMZOFNEIO-HOTGVXAUSA-N 1 2 353.388 3.202 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000516185467 503465220 /nfs/dbraw/zinc/46/52/20/503465220.db2.gz BYXCBUWUHGRDSQ-IBGZPJMESA-N 1 2 359.376 3.331 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000512199065 503484306 /nfs/dbraw/zinc/48/43/06/503484306.db2.gz UOCCYGCAQOTWSR-LJQANCHMSA-N 1 2 358.413 3.095 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000512199065 503484307 /nfs/dbraw/zinc/48/43/07/503484307.db2.gz UOCCYGCAQOTWSR-LJQANCHMSA-N 1 2 358.413 3.095 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000494244854 503511043 /nfs/dbraw/zinc/51/10/43/503511043.db2.gz MDVPDTKTMDPVQQ-SJLPKXTDSA-N 1 2 354.454 3.268 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C#N)c1F ZINC000512404177 503539098 /nfs/dbraw/zinc/53/90/98/503539098.db2.gz QVLARTKLBZLSBS-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C#N)c1F ZINC000512404177 503539101 /nfs/dbraw/zinc/53/91/01/503539101.db2.gz QVLARTKLBZLSBS-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000508880541 503587322 /nfs/dbraw/zinc/58/73/22/503587322.db2.gz LLULICVIJJWIQV-INIZCTEOSA-N 1 2 374.558 3.392 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(C)C)nc3C)CC2)c1C#N ZINC000582714004 506379851 /nfs/dbraw/zinc/37/98/51/506379851.db2.gz BNSADDJLYMIHLO-UHFFFAOYSA-N 1 2 355.511 3.472 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(F)c1 ZINC000517134189 503651866 /nfs/dbraw/zinc/65/18/66/503651866.db2.gz RCCGBOXNDOOGKY-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3OCC3CC3)CC2)c1C#N ZINC000517207692 503673492 /nfs/dbraw/zinc/67/34/92/503673492.db2.gz YDMJMYZCILCEQM-UHFFFAOYSA-N 1 2 368.506 3.434 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000533139589 503741944 /nfs/dbraw/zinc/74/19/44/503741944.db2.gz IZUHEFTWPNMHCZ-HNNXBMFYSA-N 1 2 353.426 3.118 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 ZINC000543510113 503798469 /nfs/dbraw/zinc/79/84/69/503798469.db2.gz ZCMKSATUDPVADS-GFCCVEGCSA-N 1 2 370.457 3.072 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000543543728 503807653 /nfs/dbraw/zinc/80/76/53/503807653.db2.gz IWNDJGZCPTUUJT-HNNXBMFYSA-N 1 2 372.494 3.448 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000537184838 503831883 /nfs/dbraw/zinc/83/18/83/503831883.db2.gz GHQUNBXRORPVFE-QUCCMNQESA-N 1 2 359.514 3.412 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000537617872 503977492 /nfs/dbraw/zinc/97/74/92/503977492.db2.gz JKXLYFALSLWKJR-LMKMVOKYSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000537617872 503977498 /nfs/dbraw/zinc/97/74/98/503977498.db2.gz JKXLYFALSLWKJR-LMKMVOKYSA-N 1 2 354.475 3.090 20 30 FGEDLO N#Cc1ccccc1OC1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000518923392 504094995 /nfs/dbraw/zinc/09/49/95/504094995.db2.gz XJEMOYMBLIKEPX-UHFFFAOYSA-N 1 2 360.417 3.326 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000530904754 504124463 /nfs/dbraw/zinc/12/44/63/504124463.db2.gz UGYDWBQNIXZECA-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N(CCC#N)CC(C)(C)C)c2)cc[nH+]1 ZINC000544488194 504151407 /nfs/dbraw/zinc/15/14/07/504151407.db2.gz UYUJNUWKOYFYFQ-UHFFFAOYSA-N 1 2 365.481 3.221 20 30 FGEDLO N#Cc1cc(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)ccc1Cl ZINC000538267342 504181271 /nfs/dbraw/zinc/18/12/71/504181271.db2.gz HFQOSIYIGSTHEI-UHFFFAOYSA-N 1 2 369.852 3.191 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000531204692 504226650 /nfs/dbraw/zinc/22/66/50/504226650.db2.gz LMVWCMFAMBJAKZ-OALUTQOASA-N 1 2 351.454 3.145 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000534836842 504255869 /nfs/dbraw/zinc/25/58/69/504255869.db2.gz HBVRKXGIOHIAHR-AWEZNQCLSA-N 1 2 367.449 3.205 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000534836842 504255876 /nfs/dbraw/zinc/25/58/76/504255876.db2.gz HBVRKXGIOHIAHR-AWEZNQCLSA-N 1 2 367.449 3.205 20 30 FGEDLO COCCC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000528576274 504280221 /nfs/dbraw/zinc/28/02/21/504280221.db2.gz LWMHOXCVRLVXOT-OAHLLOKOSA-N 1 2 357.479 3.221 20 30 FGEDLO C=CCSCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000541888239 504291932 /nfs/dbraw/zinc/29/19/32/504291932.db2.gz SFPKKRVLLASSRC-MRXNPFEDSA-N 1 2 358.511 3.438 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000548009797 504291989 /nfs/dbraw/zinc/29/19/89/504291989.db2.gz YNXYYKPXZWTFDA-GOSISDBHSA-N 1 2 369.469 3.275 20 30 FGEDLO N#CC1(CCC[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)CCOCC1 ZINC000541928717 504306041 /nfs/dbraw/zinc/30/60/41/504306041.db2.gz GLJXZUFMYBVEAO-SANMLTNESA-N 1 2 371.506 3.281 20 30 FGEDLO N#CCC1CCN(c2nc(N3CCC(CC#N)CC3)c(Cl)c[nH+]2)CC1 ZINC000541935053 504307885 /nfs/dbraw/zinc/30/78/85/504307885.db2.gz BGQMWVMEIJXJMC-UHFFFAOYSA-N 1 2 358.877 3.390 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000531588418 504355634 /nfs/dbraw/zinc/35/56/34/504355634.db2.gz WQVXBIVWCDDZGM-UHFFFAOYSA-N 1 2 358.445 3.325 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000538808190 504379416 /nfs/dbraw/zinc/37/94/16/504379416.db2.gz CXJAEHJYUUTKOP-CYBMUJFWSA-N 1 2 367.840 3.459 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000538808190 504379422 /nfs/dbraw/zinc/37/94/22/504379422.db2.gz CXJAEHJYUUTKOP-CYBMUJFWSA-N 1 2 367.840 3.459 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000548425597 504441291 /nfs/dbraw/zinc/44/12/91/504441291.db2.gz SWCLAHBGKSZBQA-IBGZPJMESA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000548425597 504441293 /nfs/dbraw/zinc/44/12/93/504441293.db2.gz SWCLAHBGKSZBQA-IBGZPJMESA-N 1 2 367.424 3.317 20 30 FGEDLO CCC(C#N)(CC)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000528941771 504462105 /nfs/dbraw/zinc/46/21/05/504462105.db2.gz FCJFMUXGDNMLHL-UHFFFAOYSA-N 1 2 350.466 3.340 20 30 FGEDLO Cc1sc(NC(=O)CN2CCC(Nc3cccc[nH+]3)CC2)c(C#N)c1C ZINC000535575327 504474696 /nfs/dbraw/zinc/47/46/96/504474696.db2.gz LXVGNTQIDJBPCG-UHFFFAOYSA-N 1 2 369.494 3.147 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539210301 504498327 /nfs/dbraw/zinc/49/83/27/504498327.db2.gz LMUYTTHWUZOMCI-MRXNPFEDSA-N 1 2 359.433 3.310 20 30 FGEDLO C=CC[C@H](CO)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000539323675 504530916 /nfs/dbraw/zinc/53/09/16/504530916.db2.gz LLUUPIQMAIHBJK-INIZCTEOSA-N 1 2 355.482 3.385 20 30 FGEDLO CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1nnc2ccccn21 ZINC000542542026 504534225 /nfs/dbraw/zinc/53/42/25/504534225.db2.gz LIYJCNNUPHNTSJ-GOSISDBHSA-N 1 2 373.420 3.138 20 30 FGEDLO CN(C)c1[nH]c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2[nH+]1 ZINC000548718186 504539495 /nfs/dbraw/zinc/53/94/95/504539495.db2.gz FQACZQQXRJPNMX-UHFFFAOYSA-N 1 2 351.435 3.231 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000539378736 504548085 /nfs/dbraw/zinc/54/80/85/504548085.db2.gz GAKUYHCZDSAEGU-ZDUSSCGKSA-N 1 2 353.378 3.412 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000529212939 504586502 /nfs/dbraw/zinc/58/65/02/504586502.db2.gz PPEVNMUBCCZAQV-RDTXWAMCSA-N 1 2 353.426 3.016 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000529212938 504586805 /nfs/dbraw/zinc/58/68/05/504586805.db2.gz PPEVNMUBCCZAQV-KSSFIOAISA-N 1 2 353.426 3.016 20 30 FGEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588941 504617611 /nfs/dbraw/zinc/61/76/11/504617611.db2.gz WNGBNWOYSNBBDI-QGZVFWFLSA-N 1 2 357.498 3.100 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000546004916 504672220 /nfs/dbraw/zinc/67/22/20/504672220.db2.gz YEQHIANVCLMSTQ-IBGZPJMESA-N 1 2 367.474 3.295 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c(F)c1 ZINC000546038501 504683112 /nfs/dbraw/zinc/68/31/12/504683112.db2.gz XSOJOLUZACMFHT-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000539812555 504697221 /nfs/dbraw/zinc/69/72/21/504697221.db2.gz JNLFKDORLGSBMK-UHFFFAOYSA-N 1 2 373.503 3.184 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000543069121 504711640 /nfs/dbraw/zinc/71/16/40/504711640.db2.gz ZRDNCZRHPNRODE-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO CCOC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000529667490 504755830 /nfs/dbraw/zinc/75/58/30/504755830.db2.gz WYMPECCCUIHASZ-JOCHJYFZSA-N 1 2 366.461 3.375 20 30 FGEDLO CCOC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000529667490 504755832 /nfs/dbraw/zinc/75/58/32/504755832.db2.gz WYMPECCCUIHASZ-JOCHJYFZSA-N 1 2 366.461 3.375 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4cccc(C(F)(F)F)c4C3)cnc12 ZINC000529674269 504758118 /nfs/dbraw/zinc/75/81/18/504758118.db2.gz DFCYNAKCBVFWIR-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCc4cccc(C(F)(F)F)c4C3)cnc12 ZINC000529674269 504758120 /nfs/dbraw/zinc/75/81/20/504758120.db2.gz DFCYNAKCBVFWIR-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000562492077 504836672 /nfs/dbraw/zinc/83/66/72/504836672.db2.gz YNEWCIKEHOFFRE-SFHVURJKSA-N 1 2 365.481 3.206 20 30 FGEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000562492077 504836674 /nfs/dbraw/zinc/83/66/74/504836674.db2.gz YNEWCIKEHOFFRE-SFHVURJKSA-N 1 2 365.481 3.206 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000553265545 504868477 /nfs/dbraw/zinc/86/84/77/504868477.db2.gz RSIREJKXAVBELZ-UHFFFAOYSA-N 1 2 371.828 3.146 20 30 FGEDLO Cc1nn(C)c(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)c1C#N ZINC000557683798 505202522 /nfs/dbraw/zinc/20/25/22/505202522.db2.gz CINRGCURBQKXGB-UHFFFAOYSA-N 1 2 366.856 3.128 20 30 FGEDLO N#Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c1Cl ZINC000566553832 505204406 /nfs/dbraw/zinc/20/44/06/505204406.db2.gz YEFNKHOCLASEKG-STQMWFEESA-N 1 2 350.850 3.115 20 30 FGEDLO N#Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c1Cl ZINC000566553832 505204409 /nfs/dbraw/zinc/20/44/09/505204409.db2.gz YEFNKHOCLASEKG-STQMWFEESA-N 1 2 350.850 3.115 20 30 FGEDLO CC(C)C1(c2ccccc2)C[NH+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000566784208 505271705 /nfs/dbraw/zinc/27/17/05/505271705.db2.gz MQYMVJWJEYRWJX-UHFFFAOYSA-N 1 2 368.502 3.242 20 30 FGEDLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000554841042 505278251 /nfs/dbraw/zinc/27/82/51/505278251.db2.gz NRDWPBANDGFGGQ-LBPRGKRZSA-N 1 2 372.354 3.404 20 30 FGEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000555020708 505331324 /nfs/dbraw/zinc/33/13/24/505331324.db2.gz CKBDVJBPVAUPLQ-UHFFFAOYSA-N 1 2 367.403 3.466 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC000558511509 505413158 /nfs/dbraw/zinc/41/31/58/505413158.db2.gz LAKOJASQZQYDDG-UHFFFAOYSA-N 1 2 367.449 3.121 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3cccnc3C#N)[nH+]c12 ZINC000558596363 505433860 /nfs/dbraw/zinc/43/38/60/505433860.db2.gz JIDQXDGSKYVMAB-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561848709 505450078 /nfs/dbraw/zinc/45/00/78/505450078.db2.gz NDYKHYHQFOEXBE-AWEZNQCLSA-N 1 2 364.287 3.059 20 30 FGEDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561848709 505450081 /nfs/dbraw/zinc/45/00/81/505450081.db2.gz NDYKHYHQFOEXBE-AWEZNQCLSA-N 1 2 364.287 3.059 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 ZINC000564558677 505452705 /nfs/dbraw/zinc/45/27/05/505452705.db2.gz KWORDUWKCAGPLA-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555592412 505466598 /nfs/dbraw/zinc/46/65/98/505466598.db2.gz QYILDQUDNRHKIX-LJQANCHMSA-N 1 2 353.853 3.145 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555592412 505466599 /nfs/dbraw/zinc/46/65/99/505466599.db2.gz QYILDQUDNRHKIX-LJQANCHMSA-N 1 2 353.853 3.145 20 30 FGEDLO CCc1nc(C)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)o1 ZINC000555645118 505484707 /nfs/dbraw/zinc/48/47/07/505484707.db2.gz JBKFEEHIQMMUJK-UHFFFAOYSA-N 1 2 361.449 3.288 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1C#N ZINC000599280692 506395936 /nfs/dbraw/zinc/39/59/36/506395936.db2.gz JMQIKEPGUYCEQS-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC000599380489 506435193 /nfs/dbraw/zinc/43/51/93/506435193.db2.gz QGTISFXRWXNNEK-RISCZKNCSA-N 1 2 363.248 3.442 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000612108309 506439293 /nfs/dbraw/zinc/43/92/93/506439293.db2.gz HEPFERVHNYUCCU-FQEVSTJZSA-N 1 2 355.486 3.297 20 30 FGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000589164051 506465972 /nfs/dbraw/zinc/46/59/72/506465972.db2.gz NEOAINSXNZPABW-HOCLYGCPSA-N 1 2 355.438 3.339 20 30 FGEDLO N#Cc1cnccc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599507872 506478497 /nfs/dbraw/zinc/47/84/97/506478497.db2.gz VJYOSGKEXKNGCH-UHFFFAOYSA-N 1 2 351.454 3.449 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cc(C#N)c(Br)cn1 ZINC000603288918 506478950 /nfs/dbraw/zinc/47/89/50/506478950.db2.gz MWPKRKIOZBCSKB-UHFFFAOYSA-N 1 2 374.164 3.111 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000603303544 506480298 /nfs/dbraw/zinc/48/02/98/506480298.db2.gz NHPQGONJNQRSKS-UHFFFAOYSA-N 1 2 350.422 3.290 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000593303648 506525308 /nfs/dbraw/zinc/52/53/08/506525308.db2.gz ZECALUZMTWDIRA-INIZCTEOSA-N 1 2 355.417 3.032 20 30 FGEDLO N#CCSCCCN(CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000599614849 506530010 /nfs/dbraw/zinc/53/00/10/506530010.db2.gz VISWCESIHXKASR-UHFFFAOYSA-N 1 2 353.919 3.125 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589477539 506563685 /nfs/dbraw/zinc/56/36/85/506563685.db2.gz ATFAADWILLKFAU-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589477539 506563689 /nfs/dbraw/zinc/56/36/89/506563689.db2.gz ATFAADWILLKFAU-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685558 506581012 /nfs/dbraw/zinc/58/10/12/506581012.db2.gz GJQSFQKBXJPWAM-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685558 506581018 /nfs/dbraw/zinc/58/10/18/506581018.db2.gz GJQSFQKBXJPWAM-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1F ZINC000593566721 506686395 /nfs/dbraw/zinc/68/63/95/506686395.db2.gz NZTQBTDGEUQWBA-LJQANCHMSA-N 1 2 369.440 3.225 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OCC ZINC000590012391 506706530 /nfs/dbraw/zinc/70/65/30/506706530.db2.gz KYIMPZXXEYTNKQ-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000590095762 506732517 /nfs/dbraw/zinc/73/25/17/506732517.db2.gz GOVDTYVZGQVVNW-FQEVSTJZSA-N 1 2 373.460 3.072 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000604271923 506770814 /nfs/dbraw/zinc/77/08/14/506770814.db2.gz ZMQAFFVGFNJDQL-UHFFFAOYSA-N 1 2 374.391 3.347 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000590326600 506795744 /nfs/dbraw/zinc/79/57/44/506795744.db2.gz SCHGECMPCRDRDT-YOEHRIQHSA-N 1 2 351.372 3.049 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000590326600 506795749 /nfs/dbraw/zinc/79/57/49/506795749.db2.gz SCHGECMPCRDRDT-YOEHRIQHSA-N 1 2 351.372 3.049 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000597184391 506821973 /nfs/dbraw/zinc/82/19/73/506821973.db2.gz UQFPMNYWVZSZFO-UHFFFAOYSA-N 1 2 361.540 3.245 20 30 FGEDLO CC(C)(C#N)c1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000593945167 506840142 /nfs/dbraw/zinc/84/01/42/506840142.db2.gz JLNQRIRVMQLRHR-UHFFFAOYSA-N 1 2 364.493 3.125 20 30 FGEDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609546962 506917971 /nfs/dbraw/zinc/91/79/71/506917971.db2.gz XSCGUHNTYQLKNS-VGOFRKELSA-N 1 2 374.488 3.319 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609554083 506921348 /nfs/dbraw/zinc/92/13/48/506921348.db2.gz RRTNAXLFWVXMMO-INIZCTEOSA-N 1 2 353.426 3.411 20 30 FGEDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759824 506940963 /nfs/dbraw/zinc/94/09/63/506940963.db2.gz REWLRVHINCXRJV-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000590759824 506940968 /nfs/dbraw/zinc/94/09/68/506940968.db2.gz REWLRVHINCXRJV-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609656874 506963883 /nfs/dbraw/zinc/96/38/83/506963883.db2.gz JBFHXLZRKKJGNL-OAQYLSRUSA-N 1 2 374.444 3.464 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000609671863 506969950 /nfs/dbraw/zinc/96/99/50/506969950.db2.gz MULDFPHIHWBIRI-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000609671863 506969955 /nfs/dbraw/zinc/96/99/55/506969955.db2.gz MULDFPHIHWBIRI-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594170674 506989487 /nfs/dbraw/zinc/98/94/87/506989487.db2.gz SQHQKPMNALLSRH-UHFFFAOYSA-N 1 2 354.409 3.385 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000609800780 507008317 /nfs/dbraw/zinc/00/83/17/507008317.db2.gz SPVZSLOFWLTODS-QGZVFWFLSA-N 1 2 355.463 3.497 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000609800780 507008325 /nfs/dbraw/zinc/00/83/25/507008325.db2.gz SPVZSLOFWLTODS-QGZVFWFLSA-N 1 2 355.463 3.497 20 30 FGEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000609893561 507041512 /nfs/dbraw/zinc/04/15/12/507041512.db2.gz ZNXIGFVWQCABKS-MAUKXSAKSA-N 1 2 374.916 3.029 20 30 FGEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1C ZINC000597684714 507057536 /nfs/dbraw/zinc/05/75/36/507057536.db2.gz VUKBGXSDZDELPN-OAHLLOKOSA-N 1 2 362.437 3.295 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610027033 507077689 /nfs/dbraw/zinc/07/76/89/507077689.db2.gz XLJRTXRCYQLUMB-UHFFFAOYSA-N 1 2 351.435 3.261 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000610505191 507269068 /nfs/dbraw/zinc/26/90/68/507269068.db2.gz AZDVOCGEAGZOAJ-IBGZPJMESA-N 1 2 354.475 3.415 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000610505191 507269078 /nfs/dbraw/zinc/26/90/78/507269078.db2.gz AZDVOCGEAGZOAJ-IBGZPJMESA-N 1 2 354.475 3.415 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432736 507399460 /nfs/dbraw/zinc/39/94/60/507399460.db2.gz YKHKTTMBJDJODM-HXUWFJFHSA-N 1 2 358.461 3.005 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000606432736 507399469 /nfs/dbraw/zinc/39/94/69/507399469.db2.gz YKHKTTMBJDJODM-HXUWFJFHSA-N 1 2 358.461 3.005 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)NC3(c4cccc(C#N)c4)CC3)[nH+]c12 ZINC000610986008 507466809 /nfs/dbraw/zinc/46/68/09/507466809.db2.gz QAGQYVSQYAKMBY-UHFFFAOYSA-N 1 2 359.433 3.045 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1OC ZINC000584737201 507477115 /nfs/dbraw/zinc/47/71/15/507477115.db2.gz MJLYXXTXDASABK-UHFFFAOYSA-N 1 2 364.405 3.152 20 30 FGEDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H](O)CC(C)(C)C#N ZINC000598593473 507510359 /nfs/dbraw/zinc/51/03/59/507510359.db2.gz TZEDFDPLTHUQEJ-INIZCTEOSA-N 1 2 360.458 3.199 20 30 FGEDLO CCC[C@@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccc(Cl)cc1 ZINC000598652218 507534127 /nfs/dbraw/zinc/53/41/27/507534127.db2.gz JXQIEJNLMPZRQU-OAHLLOKOSA-N 1 2 373.888 3.031 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592193319 507534632 /nfs/dbraw/zinc/53/46/32/507534632.db2.gz LWWPFINLNUZJMU-ZWKOTPCHSA-N 1 2 355.482 3.355 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592193319 507534641 /nfs/dbraw/zinc/53/46/41/507534641.db2.gz LWWPFINLNUZJMU-ZWKOTPCHSA-N 1 2 355.482 3.355 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180612 507550914 /nfs/dbraw/zinc/55/09/14/507550914.db2.gz ZWRWTZKPVJIKJD-QWHCGFSZSA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180612 507550919 /nfs/dbraw/zinc/55/09/19/507550919.db2.gz ZWRWTZKPVJIKJD-QWHCGFSZSA-N 1 2 353.438 3.464 20 30 FGEDLO CC(C)C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602092292 507587943 /nfs/dbraw/zinc/58/79/43/507587943.db2.gz DSLFGXROBJGBKW-HXUWFJFHSA-N 1 2 366.465 3.412 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000595613259 507591321 /nfs/dbraw/zinc/59/13/21/507591321.db2.gz BPDWANYUTKQIFW-LLVKDONJSA-N 1 2 350.344 3.480 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000595613259 507591326 /nfs/dbraw/zinc/59/13/26/507591326.db2.gz BPDWANYUTKQIFW-LLVKDONJSA-N 1 2 350.344 3.480 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)sc2c1 ZINC000595615716 507593521 /nfs/dbraw/zinc/59/35/21/507593521.db2.gz NFVQJPRMHOYBDO-ZDUSSCGKSA-N 1 2 358.467 3.259 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)sc2c1 ZINC000595615716 507593527 /nfs/dbraw/zinc/59/35/27/507593527.db2.gz NFVQJPRMHOYBDO-ZDUSSCGKSA-N 1 2 358.467 3.259 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618211 507593558 /nfs/dbraw/zinc/59/35/58/507593558.db2.gz YYXCMWCDKMRDBW-VXGBXAGGSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618211 507593560 /nfs/dbraw/zinc/59/35/60/507593560.db2.gz YYXCMWCDKMRDBW-VXGBXAGGSA-N 1 2 350.806 3.201 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595621926 507597741 /nfs/dbraw/zinc/59/77/41/507597741.db2.gz ZTURVHVPEMTRSL-ZWKOTPCHSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621926 507597748 /nfs/dbraw/zinc/59/77/48/507597748.db2.gz ZTURVHVPEMTRSL-ZWKOTPCHSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634093 507603345 /nfs/dbraw/zinc/60/33/45/507603345.db2.gz XDTIHCCYMVXYHX-OAHLLOKOSA-N 1 2 354.479 3.077 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602162449 507610600 /nfs/dbraw/zinc/61/06/00/507610600.db2.gz BIEBVYWPFSDHSJ-HOTGVXAUSA-N 1 2 362.355 3.442 20 30 FGEDLO CCc1c[nH]c(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)[nH+]1 ZINC000602165431 507611429 /nfs/dbraw/zinc/61/14/29/507611429.db2.gz FFCXWNQTYWCJQO-LBPRGKRZSA-N 1 2 364.371 3.474 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC1(C#N)CCCCC1 ZINC000595653842 507616432 /nfs/dbraw/zinc/61/64/32/507616432.db2.gz QDZJXFYRAAKPPW-GOSISDBHSA-N 1 2 365.481 3.477 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1F ZINC000611371766 507646420 /nfs/dbraw/zinc/64/64/20/507646420.db2.gz HEYRMQPITXMERQ-IBGZPJMESA-N 1 2 373.859 3.202 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611551444 507733524 /nfs/dbraw/zinc/73/35/24/507733524.db2.gz QMOTYYNUOMDMIX-LJQANCHMSA-N 1 2 354.385 3.116 20 30 FGEDLO Cc1ccc2[nH+]c(CN3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cn2c1 ZINC000611551370 507733880 /nfs/dbraw/zinc/73/38/80/507733880.db2.gz LBOFIHOHUYDJIT-HXUWFJFHSA-N 1 2 363.440 3.164 20 30 FGEDLO Cc1cccn2cc(CC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[nH+]c12 ZINC000540968407 562598759 /nfs/dbraw/zinc/59/87/59/562598759.db2.gz ZHSRNVVPQRPIKS-UHFFFAOYSA-N 1 2 374.379 3.020 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000819746013 606158826 /nfs/dbraw/zinc/15/88/26/606158826.db2.gz YBWIBXFBAULWDN-UHFFFAOYSA-N 1 2 368.372 3.102 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000819746013 606158829 /nfs/dbraw/zinc/15/88/29/606158829.db2.gz YBWIBXFBAULWDN-UHFFFAOYSA-N 1 2 368.372 3.102 20 30 FGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(CC(=O)NC)CC2)c1=S ZINC000074723372 700198532 /nfs/dbraw/zinc/19/85/32/700198532.db2.gz IFLDMMKAMJPDRI-UHFFFAOYSA-N 1 2 358.511 3.164 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182660 700227259 /nfs/dbraw/zinc/22/72/59/700227259.db2.gz HJZBAEUEZNXRDU-SDDRHHMPSA-N 1 2 360.342 3.472 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182660 700227261 /nfs/dbraw/zinc/22/72/61/700227261.db2.gz HJZBAEUEZNXRDU-SDDRHHMPSA-N 1 2 360.342 3.472 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3sccc3C#N)CC2)cc1 ZINC000174191007 705490560 /nfs/dbraw/zinc/49/05/60/705490560.db2.gz GPPUKQCWKKKYCS-UHFFFAOYSA-N 1 2 354.479 3.085 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000192558052 712866238 /nfs/dbraw/zinc/86/62/38/712866238.db2.gz CKIKCNBOTALVER-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000192558052 712866239 /nfs/dbraw/zinc/86/62/39/712866239.db2.gz CKIKCNBOTALVER-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCCOCC2)cc1OC ZINC000510504096 714125950 /nfs/dbraw/zinc/12/59/50/714125950.db2.gz XPWBALUZIOEODZ-UHFFFAOYSA-N 1 2 356.260 3.245 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CCCOCC2)cc1OC ZINC000510504096 714125955 /nfs/dbraw/zinc/12/59/55/714125955.db2.gz XPWBALUZIOEODZ-UHFFFAOYSA-N 1 2 356.260 3.245 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451567 714748499 /nfs/dbraw/zinc/74/84/99/714748499.db2.gz QOTFEVIQEVCCAC-RYUDHWBXSA-N 1 2 360.342 3.474 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000621956711 715040936 /nfs/dbraw/zinc/04/09/36/715040936.db2.gz VCYQMLIYURPZJH-QGZVFWFLSA-N 1 2 363.933 3.271 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1OC ZINC000623476839 715343611 /nfs/dbraw/zinc/34/36/11/715343611.db2.gz QELFENIREBNAOU-NSHDSACASA-N 1 2 350.850 3.445 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1OC ZINC000623476838 715343793 /nfs/dbraw/zinc/34/37/93/715343793.db2.gz QELFENIREBNAOU-LLVKDONJSA-N 1 2 350.850 3.445 20 30 FGEDLO C=CCCn1cc(CNC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1 ZINC000657290621 719618644 /nfs/dbraw/zinc/61/86/44/719618644.db2.gz SQIYVZLERDZGHC-IBGZPJMESA-N 1 2 359.905 3.434 20 30 FGEDLO N#Cc1ccc(OCCO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782948618 724711390 /nfs/dbraw/zinc/71/13/90/724711390.db2.gz MOPTYCPOWBUHRP-UHFFFAOYSA-N 1 2 360.211 3.037 20 30 FGEDLO NC(=[NH+]OCc1nc(C2CCCC2)no1)c1ccc(Br)cc1 ZINC000782950080 724711650 /nfs/dbraw/zinc/71/16/50/724711650.db2.gz RKJNZBPIDRVDKT-UHFFFAOYSA-N 1 2 365.231 3.327 20 30 FGEDLO C=CCN1CCN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CC1 ZINC001165032471 721870384 /nfs/dbraw/zinc/87/03/84/721870384.db2.gz UWNFCGBXPGJGNR-UHFFFAOYSA-N 1 2 373.570 3.458 20 30 FGEDLO O=C1Nc2cc(Br)ccc2C1=NNc1cc[nH+]c2ccccc12 ZINC000730147292 722465517 /nfs/dbraw/zinc/46/55/17/722465517.db2.gz AOSFFVPHWZPRPV-UHFFFAOYSA-N 1 2 367.206 3.188 20 30 FGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(Cl)ccc1Cl ZINC000755754327 722956572 /nfs/dbraw/zinc/95/65/72/722956572.db2.gz WFUKMDQNZFBLAM-UHFFFAOYSA-N 1 2 368.268 3.318 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761044004 723115775 /nfs/dbraw/zinc/11/57/75/723115775.db2.gz GLYNEANFTGNMCQ-STQMWFEESA-N 1 2 357.351 3.345 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761044004 723115777 /nfs/dbraw/zinc/11/57/77/723115777.db2.gz GLYNEANFTGNMCQ-STQMWFEESA-N 1 2 357.351 3.345 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1C ZINC000761056557 723117914 /nfs/dbraw/zinc/11/79/14/723117914.db2.gz YBIBGHOTRGLHFW-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1C ZINC000761056557 723117916 /nfs/dbraw/zinc/11/79/16/723117916.db2.gz YBIBGHOTRGLHFW-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408559 723136249 /nfs/dbraw/zinc/13/62/49/723136249.db2.gz ZYBGULCJODXZKW-HBUWYVDXSA-N 1 2 350.846 3.011 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408559 723136252 /nfs/dbraw/zinc/13/62/52/723136252.db2.gz ZYBGULCJODXZKW-HBUWYVDXSA-N 1 2 350.846 3.011 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762663040 723268197 /nfs/dbraw/zinc/26/81/97/723268197.db2.gz BCLMYBZWUBCICC-GFCCVEGCSA-N 1 2 363.820 3.336 20 30 FGEDLO C[C@]12CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000792903235 723379740 /nfs/dbraw/zinc/37/97/40/723379740.db2.gz NMNVFUYHDZWDPM-INMHGKMJSA-N 1 2 364.276 3.179 20 30 FGEDLO C[C@]12CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@H]1C2(Cl)Cl ZINC000792903235 723379742 /nfs/dbraw/zinc/37/97/42/723379742.db2.gz NMNVFUYHDZWDPM-INMHGKMJSA-N 1 2 364.276 3.179 20 30 FGEDLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(F)C(F)(F)F ZINC000764457594 723415190 /nfs/dbraw/zinc/41/51/90/723415190.db2.gz QICPTRRTNURZSZ-GFCCVEGCSA-N 1 2 374.300 3.496 20 30 FGEDLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000764457594 723415197 /nfs/dbraw/zinc/41/51/97/723415197.db2.gz QICPTRRTNURZSZ-GFCCVEGCSA-N 1 2 374.300 3.496 20 30 FGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000769962263 723702040 /nfs/dbraw/zinc/70/20/40/723702040.db2.gz DJNYQVICKSNOIT-NSHDSACASA-N 1 2 366.202 3.400 20 30 FGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000769962263 723702042 /nfs/dbraw/zinc/70/20/42/723702042.db2.gz DJNYQVICKSNOIT-NSHDSACASA-N 1 2 366.202 3.400 20 30 FGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000769978119 723702222 /nfs/dbraw/zinc/70/22/22/723702222.db2.gz SLCXXSJDJXUBRR-LBPRGKRZSA-N 1 2 360.435 3.077 20 30 FGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000769978119 723702224 /nfs/dbraw/zinc/70/22/24/723702224.db2.gz SLCXXSJDJXUBRR-LBPRGKRZSA-N 1 2 360.435 3.077 20 30 FGEDLO CC(C)Oc1ccc(NC(=S)NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771100316 723727888 /nfs/dbraw/zinc/72/78/88/723727888.db2.gz JVNLLFJTLZFZBS-UHFFFAOYSA-N 1 2 353.451 3.442 20 30 FGEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCCO1 ZINC000775348530 723984667 /nfs/dbraw/zinc/98/46/67/723984667.db2.gz KSMOZHPPWNRWSO-GOEBONIOSA-N 1 2 360.255 3.110 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCCO1 ZINC000775348526 723984768 /nfs/dbraw/zinc/98/47/68/723984768.db2.gz KSMOZHPPWNRWSO-GDBMZVCRSA-N 1 2 360.255 3.110 20 30 FGEDLO O[C@H](C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799297950 724003705 /nfs/dbraw/zinc/00/37/05/724003705.db2.gz SKCMOISMQNJJGZ-KBVBSXBZSA-N 1 2 360.273 3.317 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)[C@H]1CCCO1 ZINC000775791021 724061677 /nfs/dbraw/zinc/06/16/77/724061677.db2.gz KPYTWFFPXRXFNI-IAGOWNOFSA-N 1 2 358.463 3.098 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067389 725285874 /nfs/dbraw/zinc/28/58/74/725285874.db2.gz VHNZVLVSQNFOEO-LBPRGKRZSA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067389 725285875 /nfs/dbraw/zinc/28/58/75/725285875.db2.gz VHNZVLVSQNFOEO-LBPRGKRZSA-N 1 2 359.779 3.102 20 30 FGEDLO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294577 727237398 /nfs/dbraw/zinc/23/73/98/727237398.db2.gz WRUTTZSIFRIDPM-MGPQQGTHSA-N 1 2 364.515 3.386 20 30 FGEDLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294577 727237400 /nfs/dbraw/zinc/23/74/00/727237400.db2.gz WRUTTZSIFRIDPM-MGPQQGTHSA-N 1 2 364.515 3.386 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000819111339 727348613 /nfs/dbraw/zinc/34/86/13/727348613.db2.gz OAPMSWIEHSDALA-NSHDSACASA-N 1 2 370.931 3.240 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2cc(Br)ccc2c1 ZINC000819460175 727377018 /nfs/dbraw/zinc/37/70/18/727377018.db2.gz GREAYPCLQIUZEO-KRWDZBQOSA-N 1 2 362.271 3.221 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2cc(Br)ccc2c1 ZINC000819460175 727377020 /nfs/dbraw/zinc/37/70/20/727377020.db2.gz GREAYPCLQIUZEO-KRWDZBQOSA-N 1 2 362.271 3.221 20 30 FGEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000824615153 729350914 /nfs/dbraw/zinc/35/09/14/729350914.db2.gz BFCGJXYYVMYPAV-CQSZACIVSA-N 1 2 355.360 3.240 20 30 FGEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000824615153 729350916 /nfs/dbraw/zinc/35/09/16/729350916.db2.gz BFCGJXYYVMYPAV-CQSZACIVSA-N 1 2 355.360 3.240 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000877501921 736673692 /nfs/dbraw/zinc/67/36/92/736673692.db2.gz WGZIJPNLDRAZOV-UHFFFAOYSA-N 1 2 356.735 3.233 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000847053477 731012504 /nfs/dbraw/zinc/01/25/04/731012504.db2.gz PYYYYUYROZCYPT-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000847053477 731012508 /nfs/dbraw/zinc/01/25/08/731012508.db2.gz PYYYYUYROZCYPT-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO Clc1ccc(OC[C@@H]2CCCO2)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848418244 731161914 /nfs/dbraw/zinc/16/19/14/731161914.db2.gz LJXRBVLJFRPXNW-KRWDZBQOSA-N 1 2 362.861 3.108 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848417554 731162010 /nfs/dbraw/zinc/16/20/10/731162010.db2.gz BGFSAVIJHSTZAH-UHFFFAOYSA-N 1 2 356.861 3.353 20 30 FGEDLO Brc1ccc2c(c1)C=C(C=NNCCCn1cc[nH+]c1)CO2 ZINC000848419642 731162374 /nfs/dbraw/zinc/16/23/74/731162374.db2.gz ZUOVJMVPLLXSHT-UHFFFAOYSA-N 1 2 361.243 3.087 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2cccnc2OCC(F)(F)F)c1 ZINC000876926343 736163420 /nfs/dbraw/zinc/16/34/20/736163420.db2.gz QLEYKZXJUUNRQR-UHFFFAOYSA-N 1 2 356.735 3.233 20 30 FGEDLO C[C@@H]1CN(c2ccc(NCc3cc(C#N)cnc3Cl)c[nH+]2)C[C@@H](C)O1 ZINC000877160979 736193929 /nfs/dbraw/zinc/19/39/29/736193929.db2.gz CBFJMBFZJWKLIH-CHWSQXEVSA-N 1 2 357.845 3.227 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617256 736693742 /nfs/dbraw/zinc/69/37/42/736693742.db2.gz UJPCVDMQAJNSEO-WFASDCNBSA-N 1 2 364.877 3.484 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617256 736693745 /nfs/dbraw/zinc/69/37/45/736693745.db2.gz UJPCVDMQAJNSEO-WFASDCNBSA-N 1 2 364.877 3.484 20 30 FGEDLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000880008851 737098531 /nfs/dbraw/zinc/09/85/31/737098531.db2.gz HSICRIXROFOBDU-ZDUSSCGKSA-N 1 2 360.508 3.430 20 30 FGEDLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n1 ZINC000880008851 737098535 /nfs/dbraw/zinc/09/85/35/737098535.db2.gz HSICRIXROFOBDU-ZDUSSCGKSA-N 1 2 360.508 3.430 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000884079122 737631426 /nfs/dbraw/zinc/63/14/26/737631426.db2.gz ILBGCKPJNVFLDO-GJZGRUSLSA-N 1 2 371.264 3.104 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000884079123 737631553 /nfs/dbraw/zinc/63/15/53/737631553.db2.gz ILBGCKPJNVFLDO-LSDHHAIUSA-N 1 2 371.264 3.104 20 30 FGEDLO CCCCn1nc(C)c(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1Cl ZINC000897602815 742694875 /nfs/dbraw/zinc/69/48/75/742694875.db2.gz WEAQDFLUOJQSJR-UHFFFAOYSA-N 1 2 351.878 3.483 20 30 FGEDLO CC(C)C[C@H](C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)n1cc[nH+]c1 ZINC000899094003 742869659 /nfs/dbraw/zinc/86/96/59/742869659.db2.gz BMGCXHOZMZCPCP-SECBINFHSA-N 1 2 363.277 3.419 20 30 FGEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(F)c(F)c2)c(N2CCCC2)n1 ZINC000901317808 743252372 /nfs/dbraw/zinc/25/23/72/743252372.db2.gz OHCZJMBRKOESGH-UHFFFAOYSA-N 1 2 352.776 3.037 20 30 FGEDLO NC(=[NH2+])NN=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000915050565 757870178 /nfs/dbraw/zinc/87/01/78/757870178.db2.gz ARAWSUHGFFWDSU-UHFFFAOYSA-N 1 2 352.829 3.069 20 30 FGEDLO COc1cccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917026274 758168908 /nfs/dbraw/zinc/16/89/08/758168908.db2.gz XZOWVMRKBZFQAT-UHFFFAOYSA-N 1 2 351.435 3.201 20 30 FGEDLO Cc1cc(Br)cn2c(CN[C@@H](CC#N)C(F)(F)F)c[nH+]c12 ZINC000922648371 758968591 /nfs/dbraw/zinc/96/85/91/758968591.db2.gz ZWIAQZCFGQXHKU-NSHDSACASA-N 1 2 361.165 3.339 20 30 FGEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)nn1 ZINC000930279467 760569509 /nfs/dbraw/zinc/56/95/09/760569509.db2.gz RGLJNKCRRFVYRC-IBGZPJMESA-N 1 2 355.873 3.129 20 30 FGEDLO C#CC1(O)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000931144045 760790081 /nfs/dbraw/zinc/79/00/81/760790081.db2.gz QZUKSWBVNMXTGK-UHFFFAOYSA-N 1 2 352.221 3.004 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920539 761008537 /nfs/dbraw/zinc/00/85/37/761008537.db2.gz YHCYRQAVEIWNMV-SMDDNHRTSA-N 1 2 373.375 3.091 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1=O ZINC000931920539 761008549 /nfs/dbraw/zinc/00/85/49/761008549.db2.gz YHCYRQAVEIWNMV-SMDDNHRTSA-N 1 2 373.375 3.091 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000933651438 761446711 /nfs/dbraw/zinc/44/67/11/761446711.db2.gz IQKFFNRXFFNWJG-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015828704 765811246 /nfs/dbraw/zinc/81/12/46/765811246.db2.gz KHGBPWKBHGYPEZ-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001015828704 765811251 /nfs/dbraw/zinc/81/12/51/765811251.db2.gz KHGBPWKBHGYPEZ-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015829394 765811807 /nfs/dbraw/zinc/81/18/07/765811807.db2.gz SOTUGQXEUNWXCY-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001015829394 765811817 /nfs/dbraw/zinc/81/18/17/765811817.db2.gz SOTUGQXEUNWXCY-RYRKJORJSA-N 1 2 366.864 3.151 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC001028191935 766118148 /nfs/dbraw/zinc/11/81/48/766118148.db2.gz DFMRAMGNSRLWIK-GBESFXJTSA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC001028191935 766118154 /nfs/dbraw/zinc/11/81/54/766118154.db2.gz DFMRAMGNSRLWIK-GBESFXJTSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001033157785 766208133 /nfs/dbraw/zinc/20/81/33/766208133.db2.gz SDFRYGLGPCXOQY-OTWHNJEPSA-N 1 2 362.901 3.440 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001033157785 766208135 /nfs/dbraw/zinc/20/81/35/766208135.db2.gz SDFRYGLGPCXOQY-OTWHNJEPSA-N 1 2 362.901 3.440 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001033192244 766210106 /nfs/dbraw/zinc/21/01/06/766210106.db2.gz PBYVECJRJZJZNG-MGPQQGTHSA-N 1 2 350.812 3.416 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001033192244 766210110 /nfs/dbraw/zinc/21/01/10/766210110.db2.gz PBYVECJRJZJZNG-MGPQQGTHSA-N 1 2 350.812 3.416 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001033281427 766211594 /nfs/dbraw/zinc/21/15/94/766211594.db2.gz DZLKWLROLRGDJS-GBESFXJTSA-N 1 2 361.917 3.141 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001033281427 766211595 /nfs/dbraw/zinc/21/15/95/766211595.db2.gz DZLKWLROLRGDJS-GBESFXJTSA-N 1 2 361.917 3.141 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001039941437 766299603 /nfs/dbraw/zinc/29/96/03/766299603.db2.gz RSISBBQJFMMKBB-XNZHWBCHSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001039941437 766299606 /nfs/dbraw/zinc/29/96/06/766299606.db2.gz RSISBBQJFMMKBB-XNZHWBCHSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046941690 766609505 /nfs/dbraw/zinc/60/95/05/766609505.db2.gz OFJLWXGKPSSHPQ-HRCADAONSA-N 1 2 369.843 3.011 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046941690 766609513 /nfs/dbraw/zinc/60/95/13/766609513.db2.gz OFJLWXGKPSSHPQ-HRCADAONSA-N 1 2 369.843 3.011 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022772615 257334528 /nfs/dbraw/zinc/33/45/28/257334528.db2.gz DJOADHHBGLGPDJ-VQFGERMISA-N 1 2 374.488 3.216 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000576745168 505584208 /nfs/dbraw/zinc/58/42/08/505584208.db2.gz VFEQXCBCLVGQHL-QGZVFWFLSA-N 1 2 365.355 3.369 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1C#N ZINC000576745168 505584212 /nfs/dbraw/zinc/58/42/12/505584212.db2.gz VFEQXCBCLVGQHL-QGZVFWFLSA-N 1 2 365.355 3.369 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000579676815 505600084 /nfs/dbraw/zinc/60/00/84/505600084.db2.gz WLRUKPQHKBOIQN-UHFFFAOYSA-N 1 2 357.255 3.351 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571162800 505668839 /nfs/dbraw/zinc/66/88/39/505668839.db2.gz MGSUZDWNXFMHST-NVXWUHKLSA-N 1 2 373.819 3.313 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571162800 505668841 /nfs/dbraw/zinc/66/88/41/505668841.db2.gz MGSUZDWNXFMHST-NVXWUHKLSA-N 1 2 373.819 3.313 20 30 FGEDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000048148007 493792494 /nfs/dbraw/zinc/79/24/94/493792494.db2.gz VRTHFZNEMAKQJK-MRXNPFEDSA-N 1 2 364.449 3.273 20 30 FGEDLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000048508896 493834273 /nfs/dbraw/zinc/83/42/73/493834273.db2.gz LRKWAEXMCCJNKH-KRWDZBQOSA-N 1 2 373.460 3.406 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068636567 493848780 /nfs/dbraw/zinc/84/87/80/493848780.db2.gz OGOASCUNKGLOTG-UHFFFAOYSA-N 1 2 362.477 3.496 20 30 FGEDLO N#Cc1csc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000580136021 505684477 /nfs/dbraw/zinc/68/44/77/505684477.db2.gz DQIVOOYSXVWTMD-UHFFFAOYSA-N 1 2 352.463 3.072 20 30 FGEDLO N#Cc1csc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000580136021 505684480 /nfs/dbraw/zinc/68/44/80/505684480.db2.gz DQIVOOYSXVWTMD-UHFFFAOYSA-N 1 2 352.463 3.072 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000050092421 493897054 /nfs/dbraw/zinc/89/70/54/493897054.db2.gz NSSOTGIUGBRTES-UHFFFAOYSA-N 1 2 355.785 3.190 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000081518292 493908734 /nfs/dbraw/zinc/90/87/34/493908734.db2.gz PZNKMSBAUSESCJ-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081518292 493908736 /nfs/dbraw/zinc/90/87/36/493908736.db2.gz PZNKMSBAUSESCJ-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000059935989 493910736 /nfs/dbraw/zinc/91/07/36/493910736.db2.gz WNMOZTOPDAKVSQ-UHFFFAOYSA-N 1 2 359.389 3.036 20 30 FGEDLO Cc1c(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000051591760 493977492 /nfs/dbraw/zinc/97/74/92/493977492.db2.gz LAEVGTCYBFDBQL-UHFFFAOYSA-N 1 2 350.422 3.093 20 30 FGEDLO CCn1c(C)cc(C(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000577244547 505693443 /nfs/dbraw/zinc/69/34/43/505693443.db2.gz WPQTYSQLXJOWQX-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000577244547 505693446 /nfs/dbraw/zinc/69/34/46/505693446.db2.gz WPQTYSQLXJOWQX-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000076965324 493999671 /nfs/dbraw/zinc/99/96/71/493999671.db2.gz XGKXYWWFRSGUKJ-OAHLLOKOSA-N 1 2 366.465 3.165 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(Cl)s1 ZINC000007592138 494028811 /nfs/dbraw/zinc/02/88/11/494028811.db2.gz IULISSXNMRJLBO-UHFFFAOYSA-N 1 2 352.891 3.379 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(Cl)s1 ZINC000007592138 494028816 /nfs/dbraw/zinc/02/88/16/494028816.db2.gz IULISSXNMRJLBO-UHFFFAOYSA-N 1 2 352.891 3.379 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000077204382 494032980 /nfs/dbraw/zinc/03/29/80/494032980.db2.gz OUVKQOMSMPSDBC-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000077204382 494032982 /nfs/dbraw/zinc/03/29/82/494032982.db2.gz OUVKQOMSMPSDBC-MRXNPFEDSA-N 1 2 364.287 3.348 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000007717281 494037269 /nfs/dbraw/zinc/03/72/69/494037269.db2.gz OSBLDZAZUSURPJ-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000007717281 494037273 /nfs/dbraw/zinc/03/72/73/494037273.db2.gz OSBLDZAZUSURPJ-IBGZPJMESA-N 1 2 365.433 3.351 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccc(C#N)c1 ZINC000052580641 494042372 /nfs/dbraw/zinc/04/23/72/494042372.db2.gz GCCBNAZEZHJHMB-UHFFFAOYSA-N 1 2 365.481 3.406 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccc(C#N)c1 ZINC000052580641 494042376 /nfs/dbraw/zinc/04/23/76/494042376.db2.gz GCCBNAZEZHJHMB-UHFFFAOYSA-N 1 2 365.481 3.406 20 30 FGEDLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)nc21 ZINC000052580669 494042440 /nfs/dbraw/zinc/04/24/40/494042440.db2.gz NXCKGKXWQMOHBP-UHFFFAOYSA-N 1 2 366.446 3.247 20 30 FGEDLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)nc21 ZINC000052580669 494042442 /nfs/dbraw/zinc/04/24/42/494042442.db2.gz NXCKGKXWQMOHBP-UHFFFAOYSA-N 1 2 366.446 3.247 20 30 FGEDLO N#Cc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000077250857 494043210 /nfs/dbraw/zinc/04/32/10/494043210.db2.gz FVXDKNQERIZRLK-UHFFFAOYSA-N 1 2 358.492 3.341 20 30 FGEDLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000052638205 494049543 /nfs/dbraw/zinc/04/95/43/494049543.db2.gz SVHFFFODXQRCJW-CRAIPNDOSA-N 1 2 358.486 3.141 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000063512305 494062607 /nfs/dbraw/zinc/06/26/07/494062607.db2.gz GWPGRLABBNICFK-NRFANRHFSA-N 1 2 363.461 3.157 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000070950496 494073203 /nfs/dbraw/zinc/07/32/03/494073203.db2.gz MBRGLJKUIHHNFH-CQSZACIVSA-N 1 2 361.511 3.064 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000070950496 494073206 /nfs/dbraw/zinc/07/32/06/494073206.db2.gz MBRGLJKUIHHNFH-CQSZACIVSA-N 1 2 361.511 3.064 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000053221481 494107166 /nfs/dbraw/zinc/10/71/66/494107166.db2.gz AZGWSDXTQMGGLL-FQEVSTJZSA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000053221481 494107171 /nfs/dbraw/zinc/10/71/71/494107171.db2.gz AZGWSDXTQMGGLL-FQEVSTJZSA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000053269385 494111930 /nfs/dbraw/zinc/11/19/30/494111930.db2.gz QPZCNHSYYNQHQL-UHFFFAOYSA-N 1 2 371.531 3.027 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000053269385 494111932 /nfs/dbraw/zinc/11/19/32/494111932.db2.gz QPZCNHSYYNQHQL-UHFFFAOYSA-N 1 2 371.531 3.027 20 30 FGEDLO COC(=O)C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000064638969 494140116 /nfs/dbraw/zinc/14/01/16/494140116.db2.gz OGXBYSVBAUOYAG-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO COC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000064638969 494140118 /nfs/dbraw/zinc/14/01/18/494140118.db2.gz OGXBYSVBAUOYAG-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c(F)c1 ZINC000011010394 494168781 /nfs/dbraw/zinc/16/87/81/494168781.db2.gz IOTKCKUQOKYHEM-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1csc(Br)c1 ZINC000042254880 494212551 /nfs/dbraw/zinc/21/25/51/494212551.db2.gz HAUPNEDKEUMRSA-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1csc(Br)c1 ZINC000042254880 494212553 /nfs/dbraw/zinc/21/25/53/494212553.db2.gz HAUPNEDKEUMRSA-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000042287650 494213851 /nfs/dbraw/zinc/21/38/51/494213851.db2.gz ANZLXHJDNFIXPI-RGFVMQALSA-N 1 2 355.526 3.131 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287650 494213857 /nfs/dbraw/zinc/21/38/57/494213857.db2.gz ANZLXHJDNFIXPI-RGFVMQALSA-N 1 2 355.526 3.131 20 30 FGEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000042386806 494221129 /nfs/dbraw/zinc/22/11/29/494221129.db2.gz VNJYDXCGXJQHNP-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000072760523 494246174 /nfs/dbraw/zinc/24/61/74/494246174.db2.gz ZVMSVBKWIQXRQL-INIZCTEOSA-N 1 2 355.463 3.097 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000072760523 494246179 /nfs/dbraw/zinc/24/61/79/494246179.db2.gz ZVMSVBKWIQXRQL-INIZCTEOSA-N 1 2 355.463 3.097 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878774 494274589 /nfs/dbraw/zinc/27/45/89/494274589.db2.gz ORTUVLQFCWTOIG-KRWDZBQOSA-N 1 2 365.481 3.035 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878774 494274591 /nfs/dbraw/zinc/27/45/91/494274591.db2.gz ORTUVLQFCWTOIG-KRWDZBQOSA-N 1 2 365.481 3.035 20 30 FGEDLO CSc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920112 494284325 /nfs/dbraw/zinc/28/43/25/494284325.db2.gz GGNFQKKJVMCGFV-SNVBAGLBSA-N 1 2 364.496 3.032 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cn1 ZINC000072989126 494300522 /nfs/dbraw/zinc/30/05/22/494300522.db2.gz XTEJPBVHFJRTGQ-HNNXBMFYSA-N 1 2 371.510 3.368 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cn1 ZINC000072989126 494300526 /nfs/dbraw/zinc/30/05/26/494300526.db2.gz XTEJPBVHFJRTGQ-HNNXBMFYSA-N 1 2 371.510 3.368 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000078681821 494342622 /nfs/dbraw/zinc/34/26/22/494342622.db2.gz RUNRBBMHQPBLDN-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000078681821 494342627 /nfs/dbraw/zinc/34/26/27/494342627.db2.gz RUNRBBMHQPBLDN-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577377129 505716757 /nfs/dbraw/zinc/71/67/57/505716757.db2.gz CUBUZJMIYRVPCG-LJQANCHMSA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577377129 505716760 /nfs/dbraw/zinc/71/67/60/505716760.db2.gz CUBUZJMIYRVPCG-LJQANCHMSA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000017843266 494418466 /nfs/dbraw/zinc/41/84/66/494418466.db2.gz TYRAYYYTWHTQDB-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000073870240 494440352 /nfs/dbraw/zinc/44/03/52/494440352.db2.gz JRMVXSOGBWJESB-UHFFFAOYSA-N 1 2 370.884 3.425 20 30 FGEDLO Cc1cccc([C@@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)c1 ZINC000067350866 494518628 /nfs/dbraw/zinc/51/86/28/494518628.db2.gz KIONHIWEBLXIAI-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1 ZINC000022427012 494523282 /nfs/dbraw/zinc/52/32/82/494523282.db2.gz LILUUQIRVCNPSY-UHFFFAOYSA-N 1 2 374.488 3.117 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000056658072 494544020 /nfs/dbraw/zinc/54/40/20/494544020.db2.gz RTOQULHWRZDQIN-UHFFFAOYSA-N 1 2 365.437 3.142 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023186625 494555773 /nfs/dbraw/zinc/55/57/73/494555773.db2.gz YNTMPOZCUPCENU-UHFFFAOYSA-N 1 2 352.369 3.268 20 30 FGEDLO C=C(C)COc1cc(CNc2ccc(N3CCOCC3)c[nH+]2)ccc1OC ZINC000131314299 494580543 /nfs/dbraw/zinc/58/05/43/494580543.db2.gz DQHOBPBSFZIDEV-UHFFFAOYSA-N 1 2 369.465 3.494 20 30 FGEDLO C=CCOCCCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000080080340 494588829 /nfs/dbraw/zinc/58/88/29/494588829.db2.gz ZQLPVFCQAHWBHL-UHFFFAOYSA-N 1 2 374.529 3.318 20 30 FGEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)c(C)s1 ZINC000092539197 494662407 /nfs/dbraw/zinc/66/24/07/494662407.db2.gz NRZOVDFNMPDGFE-UHFFFAOYSA-N 1 2 369.556 3.001 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1OC(F)(F)F ZINC000025246497 494714493 /nfs/dbraw/zinc/71/44/93/494714493.db2.gz QLIOZLJVPFBDAJ-UHFFFAOYSA-N 1 2 369.387 3.360 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1OC(F)(F)F ZINC000025246497 494714502 /nfs/dbraw/zinc/71/45/02/494714502.db2.gz QLIOZLJVPFBDAJ-UHFFFAOYSA-N 1 2 369.387 3.360 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000091918017 494720728 /nfs/dbraw/zinc/72/07/28/494720728.db2.gz URKURKPRKFXMME-UHFFFAOYSA-N 1 2 367.424 3.181 20 30 FGEDLO CCC[C@H](C#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000092006050 494750109 /nfs/dbraw/zinc/75/01/09/494750109.db2.gz CPRJTOMPVQFPHP-CVEARBPZSA-N 1 2 364.287 3.394 20 30 FGEDLO C[C@@H]1CN(c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)C[C@@H](C)O1 ZINC000092118053 494795347 /nfs/dbraw/zinc/79/53/47/494795347.db2.gz BPUIPPNNWQHEKV-HZPDHXFCSA-N 1 2 361.449 3.432 20 30 FGEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CCO)sc2C1 ZINC000126645959 494809105 /nfs/dbraw/zinc/80/91/05/494809105.db2.gz QSTNVCNRFSYFLR-ZDUSSCGKSA-N 1 2 363.527 3.023 20 30 FGEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CCO)sc2C1 ZINC000126645959 494809109 /nfs/dbraw/zinc/80/91/09/494809109.db2.gz QSTNVCNRFSYFLR-ZDUSSCGKSA-N 1 2 363.527 3.023 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000574311851 505743695 /nfs/dbraw/zinc/74/36/95/505743695.db2.gz CIPYJNVHGXHITP-CQSZACIVSA-N 1 2 350.260 3.065 20 30 FGEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000132357277 494861974 /nfs/dbraw/zinc/86/19/74/494861974.db2.gz JFHCTAMBAFVTFC-UHFFFAOYSA-N 1 2 355.341 3.187 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093384904 494882635 /nfs/dbraw/zinc/88/26/35/494882635.db2.gz PSONDDLRKKSUFV-INIZCTEOSA-N 1 2 372.490 3.002 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093384904 494882639 /nfs/dbraw/zinc/88/26/39/494882639.db2.gz PSONDDLRKKSUFV-INIZCTEOSA-N 1 2 372.490 3.002 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775561 494885063 /nfs/dbraw/zinc/88/50/63/494885063.db2.gz NHAQHMWWMPMWPG-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000027775561 494885067 /nfs/dbraw/zinc/88/50/67/494885067.db2.gz NHAQHMWWMPMWPG-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606360 494902203 /nfs/dbraw/zinc/90/22/03/494902203.db2.gz ZVOFGXBDDZIREF-IFXJQAMLSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606360 494902207 /nfs/dbraw/zinc/90/22/07/494902207.db2.gz ZVOFGXBDDZIREF-IFXJQAMLSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](c2ccc(F)cc2)O1 ZINC000093606360 494902208 /nfs/dbraw/zinc/90/22/08/494902208.db2.gz ZVOFGXBDDZIREF-IFXJQAMLSA-N 1 2 350.397 3.307 20 30 FGEDLO O=C(C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)NCc1ccc(F)cc1 ZINC000117351074 494912928 /nfs/dbraw/zinc/91/29/28/494912928.db2.gz UKWKRKLMLGVLEH-UHFFFAOYSA-N 1 2 372.284 3.259 20 30 FGEDLO O=C(C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)NCc1ccc(F)cc1 ZINC000117351074 494912931 /nfs/dbraw/zinc/91/29/31/494912931.db2.gz UKWKRKLMLGVLEH-UHFFFAOYSA-N 1 2 372.284 3.259 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351927 494913467 /nfs/dbraw/zinc/91/34/67/494913467.db2.gz DCKXDPSSBRUUDE-ZYHUDNBSSA-N 1 2 373.341 3.246 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351927 494913471 /nfs/dbraw/zinc/91/34/71/494913471.db2.gz DCKXDPSSBRUUDE-ZYHUDNBSSA-N 1 2 373.341 3.246 20 30 FGEDLO COc1cccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118394635 494999458 /nfs/dbraw/zinc/99/94/58/494999458.db2.gz UDSGNORZICCMGI-KRWDZBQOSA-N 1 2 363.461 3.015 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000118399760 494999837 /nfs/dbraw/zinc/99/98/37/494999837.db2.gz QTUXTFFOXGGJLQ-AVRDEDQJSA-N 1 2 374.488 3.042 20 30 FGEDLO CCN(CCC#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133534391 495024734 /nfs/dbraw/zinc/02/47/34/495024734.db2.gz LUXXIIMJBKPCOW-INIZCTEOSA-N 1 2 364.287 3.348 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981588 495027820 /nfs/dbraw/zinc/02/78/20/495027820.db2.gz MXMHPEZUYXPLLD-LSDHHAIUSA-N 1 2 352.425 3.027 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981588 495027823 /nfs/dbraw/zinc/02/78/23/495027823.db2.gz MXMHPEZUYXPLLD-LSDHHAIUSA-N 1 2 352.425 3.027 20 30 FGEDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)ccc1F ZINC000128959787 495174424 /nfs/dbraw/zinc/17/44/24/495174424.db2.gz VMQLMQYIVQJDDP-HXUWFJFHSA-N 1 2 367.424 3.408 20 30 FGEDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)ccc1F ZINC000128959787 495174427 /nfs/dbraw/zinc/17/44/27/495174427.db2.gz VMQLMQYIVQJDDP-HXUWFJFHSA-N 1 2 367.424 3.408 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCOc1cccc(Cl)c1 ZINC000112601582 495210506 /nfs/dbraw/zinc/21/05/06/495210506.db2.gz AOGRWNARKUNJHP-UHFFFAOYSA-N 1 2 351.878 3.097 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCOc1cccc(Cl)c1 ZINC000112601582 495210510 /nfs/dbraw/zinc/21/05/10/495210510.db2.gz AOGRWNARKUNJHP-UHFFFAOYSA-N 1 2 351.878 3.097 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000129222943 495213525 /nfs/dbraw/zinc/21/35/25/495213525.db2.gz CVAQIQKFUKCNQA-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000129222943 495213528 /nfs/dbraw/zinc/21/35/28/495213528.db2.gz CVAQIQKFUKCNQA-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120155257 495317783 /nfs/dbraw/zinc/31/77/83/495317783.db2.gz NMIMNCYQNURNSD-HNNXBMFYSA-N 1 2 361.854 3.365 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120155257 495317789 /nfs/dbraw/zinc/31/77/89/495317789.db2.gz NMIMNCYQNURNSD-HNNXBMFYSA-N 1 2 361.854 3.365 20 30 FGEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113998208 495342418 /nfs/dbraw/zinc/34/24/18/495342418.db2.gz IJTHPXHOOWGVIE-SFHVURJKSA-N 1 2 363.889 3.334 20 30 FGEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113998208 495342421 /nfs/dbraw/zinc/34/24/21/495342421.db2.gz IJTHPXHOOWGVIE-SFHVURJKSA-N 1 2 363.889 3.334 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000136099459 495355475 /nfs/dbraw/zinc/35/54/75/495355475.db2.gz RREDSZNMELIGRK-UHFFFAOYSA-N 1 2 374.485 3.228 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000136099459 495355480 /nfs/dbraw/zinc/35/54/80/495355480.db2.gz RREDSZNMELIGRK-UHFFFAOYSA-N 1 2 374.485 3.228 20 30 FGEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868499 495356601 /nfs/dbraw/zinc/35/66/01/495356601.db2.gz UHKONRPCKJYPMN-IFMALSPDSA-N 1 2 364.489 3.364 20 30 FGEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868499 495356605 /nfs/dbraw/zinc/35/66/05/495356605.db2.gz UHKONRPCKJYPMN-IFMALSPDSA-N 1 2 364.489 3.364 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000125113199 495392920 /nfs/dbraw/zinc/39/29/20/495392920.db2.gz CDCPILMDWZNQFB-CQSZACIVSA-N 1 2 372.469 3.347 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106378997 495450834 /nfs/dbraw/zinc/45/08/34/495450834.db2.gz OMOQYOUVZOPMGL-SFHVURJKSA-N 1 2 369.509 3.070 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106378997 495450836 /nfs/dbraw/zinc/45/08/36/495450836.db2.gz OMOQYOUVZOPMGL-SFHVURJKSA-N 1 2 369.509 3.070 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106378997 495450839 /nfs/dbraw/zinc/45/08/39/495450839.db2.gz OMOQYOUVZOPMGL-SFHVURJKSA-N 1 2 369.509 3.070 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115018802 495452603 /nfs/dbraw/zinc/45/26/03/495452603.db2.gz CWDNJLNDERAXGI-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000120923835 495486819 /nfs/dbraw/zinc/48/68/19/495486819.db2.gz FLJVMYCUAWFRKB-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000120923835 495486820 /nfs/dbraw/zinc/48/68/20/495486820.db2.gz FLJVMYCUAWFRKB-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000125745026 495492435 /nfs/dbraw/zinc/49/24/35/495492435.db2.gz FJOOMINZCMVRSJ-UHFFFAOYSA-N 1 2 351.332 3.328 20 30 FGEDLO Cc1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1C ZINC000115536149 495514772 /nfs/dbraw/zinc/51/47/72/495514772.db2.gz ZXUPPSZVEASSBI-OAQYLSRUSA-N 1 2 363.461 3.245 20 30 FGEDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000176175200 495531805 /nfs/dbraw/zinc/53/18/05/495531805.db2.gz YYFUVSSQOPXSAB-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000144110986 495540435 /nfs/dbraw/zinc/54/04/35/495540435.db2.gz WEOHARUVAUNCJE-UHFFFAOYSA-N 1 2 358.445 3.388 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000144110986 495540440 /nfs/dbraw/zinc/54/04/40/495540440.db2.gz WEOHARUVAUNCJE-UHFFFAOYSA-N 1 2 358.445 3.388 20 30 FGEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182610743 495635246 /nfs/dbraw/zinc/63/52/46/495635246.db2.gz OYLHOYRQCDGGGM-IBGZPJMESA-N 1 2 364.405 3.094 20 30 FGEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182610743 495635251 /nfs/dbraw/zinc/63/52/51/495635251.db2.gz OYLHOYRQCDGGGM-IBGZPJMESA-N 1 2 364.405 3.094 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOCc2ccccc2)c(C#N)c1C ZINC000154693920 495698115 /nfs/dbraw/zinc/69/81/15/495698115.db2.gz KARBHVQRCOPAGB-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c(C#N)c1C ZINC000154693920 495698119 /nfs/dbraw/zinc/69/81/19/495698119.db2.gz KARBHVQRCOPAGB-UHFFFAOYSA-N 1 2 357.479 3.324 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000179797115 495735958 /nfs/dbraw/zinc/73/59/58/495735958.db2.gz LZURWIJJDRBTOF-INIZCTEOSA-N 1 2 354.454 3.387 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159660255 495780818 /nfs/dbraw/zinc/78/08/18/495780818.db2.gz HZFAONSRBQVGLA-OPAMFIHVSA-N 1 2 361.445 3.059 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159660255 495780820 /nfs/dbraw/zinc/78/08/20/495780820.db2.gz HZFAONSRBQVGLA-OPAMFIHVSA-N 1 2 361.445 3.059 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000180028211 495830035 /nfs/dbraw/zinc/83/00/35/495830035.db2.gz CWAHONMJIAZQIR-JKSUJKDBSA-N 1 2 367.453 3.198 20 30 FGEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1ncc2c(c1C#N)CCC2 ZINC000571756592 505807921 /nfs/dbraw/zinc/80/79/21/505807921.db2.gz WQJOEPCRXIGNTC-GOSISDBHSA-N 1 2 368.506 3.013 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000155243144 495889454 /nfs/dbraw/zinc/88/94/54/495889454.db2.gz YBGDKUMZROPDCG-CZUORRHYSA-N 1 2 351.397 3.265 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000155243144 495889461 /nfs/dbraw/zinc/88/94/61/495889461.db2.gz YBGDKUMZROPDCG-CZUORRHYSA-N 1 2 351.397 3.265 20 30 FGEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000183377131 495954737 /nfs/dbraw/zinc/95/47/37/495954737.db2.gz WHNWVTJFMVIOCQ-LJQANCHMSA-N 1 2 351.498 3.100 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000151932799 495996319 /nfs/dbraw/zinc/99/63/19/495996319.db2.gz WFBNZHXCUPTUJF-DOTOQJQBSA-N 1 2 373.840 3.331 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000151932799 495996322 /nfs/dbraw/zinc/99/63/22/495996322.db2.gz WFBNZHXCUPTUJF-DOTOQJQBSA-N 1 2 373.840 3.331 20 30 FGEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000171787753 496036487 /nfs/dbraw/zinc/03/64/87/496036487.db2.gz IHNKIPWFIFFSIG-UHFFFAOYSA-N 1 2 366.465 3.126 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OC)c(C#N)c3)n2)c1 ZINC000174655407 496048209 /nfs/dbraw/zinc/04/82/09/496048209.db2.gz MJHYGEGOEIAENU-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000155749082 496056124 /nfs/dbraw/zinc/05/61/24/496056124.db2.gz LEZXVKPLOPGLGZ-GFCCVEGCSA-N 1 2 372.296 3.335 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000155749082 496056128 /nfs/dbraw/zinc/05/61/28/496056128.db2.gz LEZXVKPLOPGLGZ-GFCCVEGCSA-N 1 2 372.296 3.335 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000580717773 505822398 /nfs/dbraw/zinc/82/23/98/505822398.db2.gz HWIQJIHXNMNPIK-QFIPXVFZSA-N 1 2 359.473 3.008 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161321332 496151090 /nfs/dbraw/zinc/15/10/90/496151090.db2.gz YAEDQAQIUQPXIS-INIZCTEOSA-N 1 2 365.437 3.141 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)c(C)n1 ZINC000174902793 496155931 /nfs/dbraw/zinc/15/59/31/496155931.db2.gz GXUSZILMQSRPHO-UHFFFAOYSA-N 1 2 363.465 3.035 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000152453909 496156110 /nfs/dbraw/zinc/15/61/10/496156110.db2.gz XRRAXGFCOYIUHG-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186932773 496217785 /nfs/dbraw/zinc/21/77/85/496217785.db2.gz OYRCRHCJQHZNNZ-UHFFFAOYSA-N 1 2 360.504 3.273 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000175088221 496242297 /nfs/dbraw/zinc/24/22/97/496242297.db2.gz AOOYOGFVYSTYDI-OAHLLOKOSA-N 1 2 356.495 3.434 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000175088221 496242302 /nfs/dbraw/zinc/24/23/02/496242302.db2.gz AOOYOGFVYSTYDI-OAHLLOKOSA-N 1 2 356.495 3.434 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181094647 496267616 /nfs/dbraw/zinc/26/76/16/496267616.db2.gz SLNYVJADSSVWOR-UHFFFAOYSA-N 1 2 362.481 3.074 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181094647 496267624 /nfs/dbraw/zinc/26/76/24/496267624.db2.gz SLNYVJADSSVWOR-UHFFFAOYSA-N 1 2 362.481 3.074 20 30 FGEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156754470 496326933 /nfs/dbraw/zinc/32/69/33/496326933.db2.gz DTYXMUBXXPCSAU-HXUWFJFHSA-N 1 2 354.475 3.341 20 30 FGEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156754470 496326936 /nfs/dbraw/zinc/32/69/36/496326936.db2.gz DTYXMUBXXPCSAU-HXUWFJFHSA-N 1 2 354.475 3.341 20 30 FGEDLO C=CCNC(=O)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000178113333 496335202 /nfs/dbraw/zinc/33/52/02/496335202.db2.gz YTXFIGYLOCGFLA-ZDUSSCGKSA-N 1 2 371.403 3.047 20 30 FGEDLO C=CCNC(=O)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000178113333 496335205 /nfs/dbraw/zinc/33/52/05/496335205.db2.gz YTXFIGYLOCGFLA-ZDUSSCGKSA-N 1 2 371.403 3.047 20 30 FGEDLO C=CCNC(=O)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000178113321 496335378 /nfs/dbraw/zinc/33/53/78/496335378.db2.gz YTXFIGYLOCGFLA-CYBMUJFWSA-N 1 2 371.403 3.047 20 30 FGEDLO C=CCNC(=O)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000178113321 496335385 /nfs/dbraw/zinc/33/53/85/496335385.db2.gz YTXFIGYLOCGFLA-CYBMUJFWSA-N 1 2 371.403 3.047 20 30 FGEDLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Cl)ccc1C#N ZINC000156843986 496346467 /nfs/dbraw/zinc/34/64/67/496346467.db2.gz USGPDTJDRACFSA-IBGZPJMESA-N 1 2 369.852 3.075 20 30 FGEDLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Cl)ccc1C#N ZINC000156843986 496346474 /nfs/dbraw/zinc/34/64/74/496346474.db2.gz USGPDTJDRACFSA-IBGZPJMESA-N 1 2 369.852 3.075 20 30 FGEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000178292651 496401275 /nfs/dbraw/zinc/40/12/75/496401275.db2.gz URILFGLTJDFNIU-RTWAWAEBSA-N 1 2 371.444 3.483 20 30 FGEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000178292638 496401349 /nfs/dbraw/zinc/40/13/49/496401349.db2.gz URILFGLTJDFNIU-SFTDATJTSA-N 1 2 371.444 3.483 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000162922322 496434118 /nfs/dbraw/zinc/43/41/18/496434118.db2.gz CBRABFJFPKYTSA-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000162922322 496434124 /nfs/dbraw/zinc/43/41/24/496434124.db2.gz CBRABFJFPKYTSA-KRWDZBQOSA-N 1 2 351.454 3.222 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184665043 496484229 /nfs/dbraw/zinc/48/42/29/496484229.db2.gz KZVSTBXYDORWEQ-BLLLJJGKSA-N 1 2 361.829 3.417 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000187636701 496517512 /nfs/dbraw/zinc/51/75/12/496517512.db2.gz PIPVLESUJAXDSD-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153855648 496603640 /nfs/dbraw/zinc/60/36/40/496603640.db2.gz XZBKJHIOHWMRHB-GHTZIAJQSA-N 1 2 368.525 3.048 20 30 FGEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000187894161 496611213 /nfs/dbraw/zinc/61/12/13/496611213.db2.gz MRJSJDZCSJVXEM-UHFFFAOYSA-N 1 2 373.460 3.252 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154065674 496672360 /nfs/dbraw/zinc/67/23/60/496672360.db2.gz UQKVSBWGCGHUJJ-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154065674 496672363 /nfs/dbraw/zinc/67/23/63/496672363.db2.gz UQKVSBWGCGHUJJ-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000188273298 496736183 /nfs/dbraw/zinc/73/61/83/496736183.db2.gz VMKGYDBXRKYHIG-LJQANCHMSA-N 1 2 353.466 3.296 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)C1 ZINC000194871470 496743453 /nfs/dbraw/zinc/74/34/53/496743453.db2.gz FYFUXBWTTWGMST-AWEZNQCLSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(C#N)cc3)n2)C1 ZINC000194871470 496743457 /nfs/dbraw/zinc/74/34/57/496743457.db2.gz FYFUXBWTTWGMST-AWEZNQCLSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@](=O)C1 ZINC000277414955 496765559 /nfs/dbraw/zinc/76/55/59/496765559.db2.gz IPKDWIKBARPUHF-QLXKLKPCSA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@](=O)C1 ZINC000277414955 496765564 /nfs/dbraw/zinc/76/55/64/496765564.db2.gz IPKDWIKBARPUHF-QLXKLKPCSA-N 1 2 368.502 3.338 20 30 FGEDLO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)nn1-c1cccc(C#N)c1 ZINC000578114409 505865014 /nfs/dbraw/zinc/86/50/14/505865014.db2.gz LZUJLYORSIRJNV-GOSISDBHSA-N 1 2 374.448 3.009 20 30 FGEDLO CC(C)CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264013619 496789749 /nfs/dbraw/zinc/78/97/49/496789749.db2.gz CHCPKTLXZRDECX-UHFFFAOYSA-N 1 2 355.398 3.182 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)c(C#N)c1C ZINC000191642930 496843451 /nfs/dbraw/zinc/84/34/51/496843451.db2.gz XVGIWHNZMKZVHS-UHFFFAOYSA-N 1 2 354.479 3.450 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264771866 496982623 /nfs/dbraw/zinc/98/26/23/496982623.db2.gz WNBMIQWOCYCCSX-HNNXBMFYSA-N 1 2 353.426 3.480 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000248447354 497014148 /nfs/dbraw/zinc/01/41/48/497014148.db2.gz HHYCBHUANGTOSR-SUMWQHHRSA-N 1 2 371.412 3.388 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000248447354 497014155 /nfs/dbraw/zinc/01/41/55/497014155.db2.gz HHYCBHUANGTOSR-SUMWQHHRSA-N 1 2 371.412 3.388 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000248604821 497054337 /nfs/dbraw/zinc/05/43/37/497054337.db2.gz FDNIGSGNOHZUNS-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000248604821 497054341 /nfs/dbraw/zinc/05/43/41/497054341.db2.gz FDNIGSGNOHZUNS-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO COc1cc(CNc2[nH+]cccc2OCCCC#N)cc2c1OCCO2 ZINC000274286538 497061070 /nfs/dbraw/zinc/06/10/70/497061070.db2.gz XUHZUQVBEAISHI-UHFFFAOYSA-N 1 2 355.394 3.156 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000270157886 497068398 /nfs/dbraw/zinc/06/83/98/497068398.db2.gz TUAHSOBVWGQERB-IBGZPJMESA-N 1 2 358.445 3.450 20 30 FGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000572085549 505885117 /nfs/dbraw/zinc/88/51/17/505885117.db2.gz QRWMFDQZIUQVPU-JTQLQIEISA-N 1 2 355.389 3.147 20 30 FGEDLO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000572085549 505885119 /nfs/dbraw/zinc/88/51/19/505885119.db2.gz QRWMFDQZIUQVPU-JTQLQIEISA-N 1 2 355.389 3.147 20 30 FGEDLO C#CC[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000270389664 497117449 /nfs/dbraw/zinc/11/74/49/497117449.db2.gz HUOLDPHFDIGTKP-IBGZPJMESA-N 1 2 368.506 3.125 20 30 FGEDLO C#CC[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000270389664 497117456 /nfs/dbraw/zinc/11/74/56/497117456.db2.gz HUOLDPHFDIGTKP-IBGZPJMESA-N 1 2 368.506 3.125 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000274653507 497138420 /nfs/dbraw/zinc/13/84/20/497138420.db2.gz LUZWVSNDWOXJFN-MRVPVSSYSA-N 1 2 361.081 3.385 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000274653507 497138423 /nfs/dbraw/zinc/13/84/23/497138423.db2.gz LUZWVSNDWOXJFN-MRVPVSSYSA-N 1 2 361.081 3.385 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192556259 497148241 /nfs/dbraw/zinc/14/82/41/497148241.db2.gz XINOQDLROVRRON-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192556259 497148245 /nfs/dbraw/zinc/14/82/45/497148245.db2.gz XINOQDLROVRRON-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000249015566 497150026 /nfs/dbraw/zinc/15/00/26/497150026.db2.gz JGHSVZUXZMPWNG-BTTYYORXSA-N 1 2 361.511 3.061 20 30 FGEDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000249015566 497150032 /nfs/dbraw/zinc/15/00/32/497150032.db2.gz JGHSVZUXZMPWNG-BTTYYORXSA-N 1 2 361.511 3.061 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278655703 497180320 /nfs/dbraw/zinc/18/03/20/497180320.db2.gz ANYSFYTUBYCWJX-UHFFFAOYSA-N 1 2 362.477 3.160 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000249918399 497258229 /nfs/dbraw/zinc/25/82/29/497258229.db2.gz YBCQOOMKRRQASZ-ZIAGYGMSSA-N 1 2 366.303 3.278 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000249918399 497258232 /nfs/dbraw/zinc/25/82/32/497258232.db2.gz YBCQOOMKRRQASZ-ZIAGYGMSSA-N 1 2 366.303 3.278 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271112142 497266730 /nfs/dbraw/zinc/26/67/30/497266730.db2.gz GPGUUFZXAQSHJS-UHFFFAOYSA-N 1 2 363.421 3.144 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@@H]1C ZINC000251778313 497284817 /nfs/dbraw/zinc/28/48/17/497284817.db2.gz LGFOCVGBDVFZCK-YQQAZPJKSA-N 1 2 361.511 3.234 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@@H]1C ZINC000251778313 497284813 /nfs/dbraw/zinc/28/48/13/497284813.db2.gz LGFOCVGBDVFZCK-YQQAZPJKSA-N 1 2 361.511 3.234 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193371150 497363372 /nfs/dbraw/zinc/36/33/72/497363372.db2.gz MDEZXFWAUVWRCB-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000190159100 497380688 /nfs/dbraw/zinc/38/06/88/497380688.db2.gz QSJWJXNMZWIUEI-SJORKVTESA-N 1 2 373.453 3.304 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000190159100 497380690 /nfs/dbraw/zinc/38/06/90/497380690.db2.gz QSJWJXNMZWIUEI-SJORKVTESA-N 1 2 373.453 3.304 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266802660 497423379 /nfs/dbraw/zinc/42/33/79/497423379.db2.gz DGZCURLLCPXLRJ-UHFFFAOYSA-N 1 2 366.461 3.014 20 30 FGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000193728035 497461696 /nfs/dbraw/zinc/46/16/96/497461696.db2.gz GTZXMLBZQQUCMO-UHFFFAOYSA-N 1 2 369.490 3.285 20 30 FGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000193728035 497461699 /nfs/dbraw/zinc/46/16/99/497461699.db2.gz GTZXMLBZQQUCMO-UHFFFAOYSA-N 1 2 369.490 3.285 20 30 FGEDLO Cc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)on2)cc1 ZINC000193767602 497474210 /nfs/dbraw/zinc/47/42/10/497474210.db2.gz AWAMAQQCWHCSES-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C#N)n1 ZINC000581130473 505916454 /nfs/dbraw/zinc/91/64/54/505916454.db2.gz NZFYONFUXFJGDB-UHFFFAOYSA-N 1 2 364.453 3.119 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246101126 497621814 /nfs/dbraw/zinc/62/18/14/497621814.db2.gz WJYUCOKMWDAAIZ-VQTJNVASSA-N 1 2 360.417 3.083 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246101126 497621818 /nfs/dbraw/zinc/62/18/18/497621818.db2.gz WJYUCOKMWDAAIZ-VQTJNVASSA-N 1 2 360.417 3.083 20 30 FGEDLO CC1(C#N)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000272570326 497666173 /nfs/dbraw/zinc/66/61/73/497666173.db2.gz RUGHAZYHORPOKY-UHFFFAOYSA-N 1 2 353.426 3.120 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000191270169 497763384 /nfs/dbraw/zinc/76/33/84/497763384.db2.gz XDXNGPPBYXOXDC-KRWDZBQOSA-N 1 2 360.255 3.233 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000191270169 497763386 /nfs/dbraw/zinc/76/33/86/497763386.db2.gz XDXNGPPBYXOXDC-KRWDZBQOSA-N 1 2 360.255 3.233 20 30 FGEDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582809447 506429818 /nfs/dbraw/zinc/42/98/18/506429818.db2.gz VJZFUFKMHQFCRX-ZDUSSCGKSA-N 1 2 363.870 3.073 20 30 FGEDLO O=C(CC1CCCC1)NC1CCC(C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329714666 497877341 /nfs/dbraw/zinc/87/73/41/497877341.db2.gz TXQKXWOGKBOIGO-UHFFFAOYSA-N 1 2 358.486 3.321 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)C2 ZINC000329784164 497900373 /nfs/dbraw/zinc/90/03/73/497900373.db2.gz PBGYXGNWNGGHDD-UHFFFAOYSA-N 1 2 354.454 3.181 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)Nc1c(C)nn(C)c1C)C2 ZINC000329784164 497900380 /nfs/dbraw/zinc/90/03/80/497900380.db2.gz PBGYXGNWNGGHDD-UHFFFAOYSA-N 1 2 354.454 3.181 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364325839 497900942 /nfs/dbraw/zinc/90/09/42/497900942.db2.gz FDIDDZBTIRTQRG-UHFFFAOYSA-N 1 2 359.495 3.133 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364325839 497900948 /nfs/dbraw/zinc/90/09/48/497900948.db2.gz FDIDDZBTIRTQRG-UHFFFAOYSA-N 1 2 359.495 3.133 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000329790448 497901502 /nfs/dbraw/zinc/90/15/02/497901502.db2.gz TWBLNDVISZEXJR-NRFANRHFSA-N 1 2 373.456 3.220 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000329790448 497901505 /nfs/dbraw/zinc/90/15/05/497901505.db2.gz TWBLNDVISZEXJR-NRFANRHFSA-N 1 2 373.456 3.220 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292156335 497903551 /nfs/dbraw/zinc/90/35/51/497903551.db2.gz KPVMIMDYNXMRIX-UKRRQHHQSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292156335 497903557 /nfs/dbraw/zinc/90/35/57/497903557.db2.gz KPVMIMDYNXMRIX-UKRRQHHQSA-N 1 2 370.840 3.087 20 30 FGEDLO COc1ccc(CN2CCC[N@H+](CC(=O)NC3CCCCC3)CC2=O)cc1 ZINC000329805584 497907622 /nfs/dbraw/zinc/90/76/22/497907622.db2.gz NDHZQMFJKGEOCA-UHFFFAOYSA-N 1 2 373.497 3.019 20 30 FGEDLO COc1ccc(CN2CCC[N@@H+](CC(=O)NC3CCCCC3)CC2=O)cc1 ZINC000329805584 497907630 /nfs/dbraw/zinc/90/76/30/497907630.db2.gz NDHZQMFJKGEOCA-UHFFFAOYSA-N 1 2 373.497 3.019 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284826068 497913666 /nfs/dbraw/zinc/91/36/66/497913666.db2.gz MGRFONUOJHCOAU-PVAVHDDUSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284826068 497913672 /nfs/dbraw/zinc/91/36/72/497913672.db2.gz MGRFONUOJHCOAU-PVAVHDDUSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329824347 497915714 /nfs/dbraw/zinc/91/57/14/497915714.db2.gz HVAOELSDKXRIRQ-SKDZVZGDSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329824347 497915719 /nfs/dbraw/zinc/91/57/19/497915719.db2.gz HVAOELSDKXRIRQ-SKDZVZGDSA-N 1 2 360.454 3.324 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280867095 497929805 /nfs/dbraw/zinc/92/98/05/497929805.db2.gz XPAJJDJTYNYWHL-UHFFFAOYSA-N 1 2 352.425 3.187 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329872876 497935002 /nfs/dbraw/zinc/93/50/02/497935002.db2.gz DJYSUJJNZQGYFC-GHTZIAJQSA-N 1 2 366.465 3.053 20 30 FGEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330001007 497985517 /nfs/dbraw/zinc/98/55/17/497985517.db2.gz XLGPARHMOHQNNI-FOIQADDNSA-N 1 2 362.518 3.300 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000285073719 497986430 /nfs/dbraw/zinc/98/64/30/497986430.db2.gz LKXYSAXIXPRJER-INIZCTEOSA-N 1 2 358.417 3.188 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000285073719 497986437 /nfs/dbraw/zinc/98/64/37/497986437.db2.gz LKXYSAXIXPRJER-INIZCTEOSA-N 1 2 358.417 3.188 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519648 497998544 /nfs/dbraw/zinc/99/85/44/497998544.db2.gz CLVPXVAFUARANI-UKRRQHHQSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519648 497998554 /nfs/dbraw/zinc/99/85/54/497998554.db2.gz CLVPXVAFUARANI-UKRRQHHQSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519648 497998561 /nfs/dbraw/zinc/99/85/61/497998561.db2.gz CLVPXVAFUARANI-UKRRQHHQSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519648 497998567 /nfs/dbraw/zinc/99/85/67/497998567.db2.gz CLVPXVAFUARANI-UKRRQHHQSA-N 1 2 355.442 3.006 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330098059 498020556 /nfs/dbraw/zinc/02/05/56/498020556.db2.gz BJYMFYWJFKQBQZ-TWOQFEAHSA-N 1 2 362.470 3.332 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330098059 498020562 /nfs/dbraw/zinc/02/05/62/498020562.db2.gz BJYMFYWJFKQBQZ-TWOQFEAHSA-N 1 2 362.470 3.332 20 30 FGEDLO O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330268213 498086689 /nfs/dbraw/zinc/08/66/89/498086689.db2.gz INHGEQZTKWDZAL-DJPFJPOOSA-N 1 2 371.456 3.315 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(-c3cccc(OC)c3)n2)C1=O ZINC000281312885 498101189 /nfs/dbraw/zinc/10/11/89/498101189.db2.gz KQTLVWNQHOQHRT-KRWDZBQOSA-N 1 2 357.479 3.037 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(-c3cccc(OC)c3)n2)C1=O ZINC000281312885 498101193 /nfs/dbraw/zinc/10/11/93/498101193.db2.gz KQTLVWNQHOQHRT-KRWDZBQOSA-N 1 2 357.479 3.037 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330350493 498114785 /nfs/dbraw/zinc/11/47/85/498114785.db2.gz LEFPCVHQWWRDCH-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384130 498130425 /nfs/dbraw/zinc/13/04/25/498130425.db2.gz PIIRCIZKRPELIC-WMZOPIPTSA-N 1 2 357.498 3.164 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384130 498130434 /nfs/dbraw/zinc/13/04/34/498130434.db2.gz PIIRCIZKRPELIC-WMZOPIPTSA-N 1 2 357.498 3.164 20 30 FGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000296660722 498141926 /nfs/dbraw/zinc/14/19/26/498141926.db2.gz FDGQYRDXUBBXEY-FUHWJXTLSA-N 1 2 355.438 3.151 20 30 FGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000296660722 498141929 /nfs/dbraw/zinc/14/19/29/498141929.db2.gz FDGQYRDXUBBXEY-FUHWJXTLSA-N 1 2 355.438 3.151 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289453724 498152944 /nfs/dbraw/zinc/15/29/44/498152944.db2.gz FWQCXJFQGVOXKI-FUHWJXTLSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289453724 498152950 /nfs/dbraw/zinc/15/29/50/498152950.db2.gz FWQCXJFQGVOXKI-FUHWJXTLSA-N 1 2 359.857 3.184 20 30 FGEDLO CCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C#N)c1CC ZINC000301623401 498192321 /nfs/dbraw/zinc/19/23/21/498192321.db2.gz ONUKLHVBFUBDQO-UHFFFAOYSA-N 1 2 369.900 3.449 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330806361 498196878 /nfs/dbraw/zinc/19/68/78/498196878.db2.gz MGFVFGLGXYBICR-GOEBONIOSA-N 1 2 373.419 3.168 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NC(C)(C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000330806361 498196884 /nfs/dbraw/zinc/19/68/84/498196884.db2.gz MGFVFGLGXYBICR-GOEBONIOSA-N 1 2 373.419 3.168 20 30 FGEDLO CCc1nnc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)c1CC ZINC000301631869 498198183 /nfs/dbraw/zinc/19/81/83/498198183.db2.gz UFTPEMTVQOTKEK-KRWDZBQOSA-N 1 2 359.424 3.466 20 30 FGEDLO CNc1nc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]c2ccccc21 ZINC000572591273 506005617 /nfs/dbraw/zinc/00/56/17/506005617.db2.gz BVNULLAGWNFHHM-UHFFFAOYSA-N 1 2 359.433 3.013 20 30 FGEDLO CC(C)N(C)c1cccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000330946475 498222804 /nfs/dbraw/zinc/22/28/04/498222804.db2.gz LCYOKVULOCCKEW-UHFFFAOYSA-N 1 2 361.490 3.008 20 30 FGEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(CC)[nH+]c(-c3ccncc3)n2)c1 ZINC000301755628 498252486 /nfs/dbraw/zinc/25/24/86/498252486.db2.gz XQBIMKCAKZFSNZ-UHFFFAOYSA-N 1 2 371.444 3.157 20 30 FGEDLO CC(=O)c1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)nc1C ZINC000331145679 498261908 /nfs/dbraw/zinc/26/19/08/498261908.db2.gz SEBBMOQAMRELRQ-STQMWFEESA-N 1 2 361.486 3.093 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1C ZINC000331335006 498303838 /nfs/dbraw/zinc/30/38/38/498303838.db2.gz UJTDNZFDVFQTJS-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1C ZINC000331335006 498303844 /nfs/dbraw/zinc/30/38/44/498303844.db2.gz UJTDNZFDVFQTJS-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO CC(C)c1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)nn1C(C)(C)C ZINC000331341748 498306198 /nfs/dbraw/zinc/30/61/98/498306198.db2.gz KKGBXDRKHVMIMS-UHFFFAOYSA-N 1 2 350.507 3.177 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000281903202 498312202 /nfs/dbraw/zinc/31/22/02/498312202.db2.gz FUASMNCNGMPZOK-CQSZACIVSA-N 1 2 370.280 3.041 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000281903202 498312206 /nfs/dbraw/zinc/31/22/06/498312206.db2.gz FUASMNCNGMPZOK-CQSZACIVSA-N 1 2 370.280 3.041 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365133227 498315587 /nfs/dbraw/zinc/31/55/87/498315587.db2.gz CNIZISIDLDAMRP-OAHLLOKOSA-N 1 2 354.903 3.169 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365133227 498315590 /nfs/dbraw/zinc/31/55/90/498315590.db2.gz CNIZISIDLDAMRP-OAHLLOKOSA-N 1 2 354.903 3.169 20 30 FGEDLO CCN(C(=O)c1ccc(CC#N)cc1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000361224872 498362036 /nfs/dbraw/zinc/36/20/36/498362036.db2.gz YKOPIXJVOAIGDE-IBGZPJMESA-N 1 2 359.433 3.133 20 30 FGEDLO CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365281304 498385520 /nfs/dbraw/zinc/38/55/20/498385520.db2.gz GATFSFXBICRXMV-UHFFFAOYSA-N 1 2 353.401 3.225 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c(F)c1 ZINC000286427185 498394038 /nfs/dbraw/zinc/39/40/38/498394038.db2.gz QHIUFVUUMMTLLO-UHFFFAOYSA-N 1 2 367.428 3.135 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c(F)c1 ZINC000286427185 498394033 /nfs/dbraw/zinc/39/40/33/498394033.db2.gz QHIUFVUUMMTLLO-UHFFFAOYSA-N 1 2 367.428 3.135 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000282293887 498455581 /nfs/dbraw/zinc/45/55/81/498455581.db2.gz LRTQSEUYPUNFEQ-CQSZACIVSA-N 1 2 370.403 3.389 20 30 FGEDLO N#Cc1c(F)ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1Cl ZINC000365447244 498471003 /nfs/dbraw/zinc/47/10/03/498471003.db2.gz MHPHQQPEQYUNSD-UHFFFAOYSA-N 1 2 372.831 3.094 20 30 FGEDLO N#Cc1c(F)ccc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c1Cl ZINC000365447244 498471012 /nfs/dbraw/zinc/47/10/12/498471012.db2.gz MHPHQQPEQYUNSD-UHFFFAOYSA-N 1 2 372.831 3.094 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@](F)(c4cccc(Cl)c4)C3)cnc12 ZINC000575988992 506050021 /nfs/dbraw/zinc/05/00/21/506050021.db2.gz DJJHSBWBMAKUHD-SFHVURJKSA-N 1 2 355.804 3.325 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@](F)(c4cccc(Cl)c4)C3)cnc12 ZINC000575988992 506050024 /nfs/dbraw/zinc/05/00/24/506050024.db2.gz DJJHSBWBMAKUHD-SFHVURJKSA-N 1 2 355.804 3.325 20 30 FGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575991728 506050449 /nfs/dbraw/zinc/05/04/49/506050449.db2.gz APLAECGJWVKHQO-UHFFFAOYSA-N 1 2 358.442 3.079 20 30 FGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575991728 506050452 /nfs/dbraw/zinc/05/04/52/506050452.db2.gz APLAECGJWVKHQO-UHFFFAOYSA-N 1 2 358.442 3.079 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000581757941 506061734 /nfs/dbraw/zinc/06/17/34/506061734.db2.gz JIUZOEBEUSHCST-CYBMUJFWSA-N 1 2 373.457 3.188 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000581757942 506061949 /nfs/dbraw/zinc/06/19/49/506061949.db2.gz JIUZOEBEUSHCST-ZDUSSCGKSA-N 1 2 373.457 3.188 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000581757942 506061953 /nfs/dbraw/zinc/06/19/53/506061953.db2.gz JIUZOEBEUSHCST-ZDUSSCGKSA-N 1 2 373.457 3.188 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)c2)cc[nH+]1 ZINC000581752997 506060769 /nfs/dbraw/zinc/06/07/69/506060769.db2.gz CZHMFHCCMSMZRE-VFNWGFHPSA-N 1 2 363.465 3.021 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000581757941 506061730 /nfs/dbraw/zinc/06/17/30/506061730.db2.gz JIUZOEBEUSHCST-CYBMUJFWSA-N 1 2 373.457 3.188 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000302874335 498611482 /nfs/dbraw/zinc/61/14/82/498611482.db2.gz DCFYUCORCOHCDS-KRWDZBQOSA-N 1 2 352.390 3.186 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCSCC1 ZINC000290619832 498622055 /nfs/dbraw/zinc/62/20/55/498622055.db2.gz UDAIPGPAPDULDQ-CQSZACIVSA-N 1 2 368.462 3.121 20 30 FGEDLO Cc1nsc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C#N ZINC000294262066 498636835 /nfs/dbraw/zinc/63/68/35/498636835.db2.gz QZUHZZFPOUUWHK-UHFFFAOYSA-N 1 2 356.455 3.030 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Nc1cccc(C#N)n1 ZINC000581823338 506067862 /nfs/dbraw/zinc/06/78/62/506067862.db2.gz ZUHVSRLHJXRNTE-MRXNPFEDSA-N 1 2 360.421 3.308 20 30 FGEDLO CCc1nc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000332336826 498653985 /nfs/dbraw/zinc/65/39/85/498653985.db2.gz UTBZYTDDUYJMMM-UHFFFAOYSA-N 1 2 369.494 3.235 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Sc3ccccn3)CC2)cc1 ZINC000365883141 498685946 /nfs/dbraw/zinc/68/59/46/498685946.db2.gz DBHSYZFHBCRLIZ-UHFFFAOYSA-N 1 2 352.463 3.148 20 30 FGEDLO Cc1nc(C2CC2)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294453032 498696974 /nfs/dbraw/zinc/69/69/74/498696974.db2.gz TUDWIOUYFYJXBZ-UHFFFAOYSA-N 1 2 360.461 3.097 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)C2 ZINC000570069312 506082947 /nfs/dbraw/zinc/08/29/47/506082947.db2.gz VYVNKIAICWRNQO-KSZLIROESA-N 1 2 362.477 3.404 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CC2 ZINC000570069312 506082951 /nfs/dbraw/zinc/08/29/51/506082951.db2.gz VYVNKIAICWRNQO-KSZLIROESA-N 1 2 362.477 3.404 20 30 FGEDLO N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000312651240 498760594 /nfs/dbraw/zinc/76/05/94/498760594.db2.gz VPFLPLVEWMKCIF-LJQANCHMSA-N 1 2 358.445 3.419 20 30 FGEDLO N#Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000312651240 498760598 /nfs/dbraw/zinc/76/05/98/498760598.db2.gz VPFLPLVEWMKCIF-LJQANCHMSA-N 1 2 358.445 3.419 20 30 FGEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)c2)c1 ZINC000294834717 498821002 /nfs/dbraw/zinc/82/10/02/498821002.db2.gz QIJBDBFIQJKSJY-UHFFFAOYSA-N 1 2 359.433 3.423 20 30 FGEDLO N#CC[C@H](CC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC000366279303 498855384 /nfs/dbraw/zinc/85/53/84/498855384.db2.gz HAGWTBNSFXZVJS-QGZVFWFLSA-N 1 2 368.506 3.311 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1C[C@@H]1c1c(F)cccc1F)CCC2 ZINC000328658095 498893364 /nfs/dbraw/zinc/89/33/64/498893364.db2.gz QKFFXVIFNXWGKE-HEHGZKQESA-N 1 2 360.408 3.407 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1C[C@@H]1c1c(F)cccc1F)CCC2 ZINC000328658095 498893369 /nfs/dbraw/zinc/89/33/69/498893369.db2.gz QKFFXVIFNXWGKE-HEHGZKQESA-N 1 2 360.408 3.407 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000328661894 498894958 /nfs/dbraw/zinc/89/49/58/498894958.db2.gz WXASVTBSFFUBTA-YESZJQIVSA-N 1 2 360.502 3.262 20 30 FGEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2coc(C3CCCCC3)n2)no1 ZINC000328679745 498899842 /nfs/dbraw/zinc/89/98/42/498899842.db2.gz NDQGCAYQHSIVFI-UHFFFAOYSA-N 1 2 361.446 3.407 20 30 FGEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366379554 498901727 /nfs/dbraw/zinc/90/17/27/498901727.db2.gz MRJTVKZOEHBQEU-GFCCVEGCSA-N 1 2 351.435 3.215 20 30 FGEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366379554 498901736 /nfs/dbraw/zinc/90/17/36/498901736.db2.gz MRJTVKZOEHBQEU-GFCCVEGCSA-N 1 2 351.435 3.215 20 30 FGEDLO C=C(CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000288046766 498932219 /nfs/dbraw/zinc/93/22/19/498932219.db2.gz OVSBIYBKFWZYBA-UHFFFAOYSA-N 1 2 352.360 3.300 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000288080835 498940005 /nfs/dbraw/zinc/94/00/05/498940005.db2.gz RULQEBPFVBPEGI-GOSISDBHSA-N 1 2 350.466 3.183 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC(C)(C)O1 ZINC000328822275 498948920 /nfs/dbraw/zinc/94/89/20/498948920.db2.gz IBVJOGLFBJCTQJ-UONOGXRCSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC(C)(C)O1 ZINC000328822275 498948927 /nfs/dbraw/zinc/94/89/27/498948927.db2.gz IBVJOGLFBJCTQJ-UONOGXRCSA-N 1 2 366.531 3.420 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCO[C@@H]1C1CC1 ZINC000328826025 498950648 /nfs/dbraw/zinc/95/06/48/498950648.db2.gz HVZQANUSJRMVAG-AZUAARDMSA-N 1 2 364.449 3.304 20 30 FGEDLO CC[C@H]1COCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328831677 498954652 /nfs/dbraw/zinc/95/46/52/498954652.db2.gz VAWQEYFTARXRGJ-INIZCTEOSA-N 1 2 352.438 3.258 20 30 FGEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328856808 498963369 /nfs/dbraw/zinc/96/33/69/498963369.db2.gz XYXULYCFEAIUKN-ZHALLVOQSA-N 1 2 357.454 3.154 20 30 FGEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328856808 498963374 /nfs/dbraw/zinc/96/33/74/498963374.db2.gz XYXULYCFEAIUKN-ZHALLVOQSA-N 1 2 357.454 3.154 20 30 FGEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)C(C)(C)C ZINC000288306101 498990491 /nfs/dbraw/zinc/99/04/91/498990491.db2.gz FZLPSOGJUOIOKZ-SFHVURJKSA-N 1 2 365.433 3.285 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000328935414 498992104 /nfs/dbraw/zinc/99/21/04/498992104.db2.gz CIQFDJSRSXKPQU-SQNIBIBYSA-N 1 2 374.460 3.067 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000328935414 498992108 /nfs/dbraw/zinc/99/21/08/498992108.db2.gz CIQFDJSRSXKPQU-SQNIBIBYSA-N 1 2 374.460 3.067 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000328961447 499000017 /nfs/dbraw/zinc/00/00/17/499000017.db2.gz QBVZKZHNZDLWHB-AEFFLSMTSA-N 1 2 367.453 3.117 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)C2 ZINC000328974528 499004189 /nfs/dbraw/zinc/00/41/89/499004189.db2.gz VWZJJQVMIZORGF-PBHICJAKSA-N 1 2 362.518 3.409 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCC2(C)C)CCC(=O)N1C1CC1 ZINC000328986591 499007706 /nfs/dbraw/zinc/00/77/06/499007706.db2.gz BWXREVUTLIGJAO-HDMKZQKVSA-N 1 2 358.486 3.397 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000366621469 499007821 /nfs/dbraw/zinc/00/78/21/499007821.db2.gz SVZDDLVGSXBMNF-ZWKOTPCHSA-N 1 2 350.422 3.072 20 30 FGEDLO Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)cc1F ZINC000329036292 499021189 /nfs/dbraw/zinc/02/11/89/499021189.db2.gz RHAUMVCSXDFOMX-VQIMIIECSA-N 1 2 370.428 3.067 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329237889 499080842 /nfs/dbraw/zinc/08/08/42/499080842.db2.gz KSMVQDHSQWGUPZ-UHFFFAOYSA-N 1 2 354.454 3.092 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CC(C)(C)OC1(C)C)C2 ZINC000329238816 499081492 /nfs/dbraw/zinc/08/14/92/499081492.db2.gz LKWHBXLXAYBGRO-KBPBESRZSA-N 1 2 362.518 3.345 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CC(C)(C)OC1(C)C)C2 ZINC000329238816 499081493 /nfs/dbraw/zinc/08/14/93/499081493.db2.gz LKWHBXLXAYBGRO-KBPBESRZSA-N 1 2 362.518 3.345 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CSc1nncs1)C2 ZINC000329312724 499096853 /nfs/dbraw/zinc/09/68/53/499096853.db2.gz CFGJELQKAUWVTI-SNVBAGLBSA-N 1 2 351.501 3.096 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865958 499099291 /nfs/dbraw/zinc/09/92/91/499099291.db2.gz PWZVZMZDGHKCDZ-DOMZBBRYSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865958 499099296 /nfs/dbraw/zinc/09/92/96/499099296.db2.gz PWZVZMZDGHKCDZ-DOMZBBRYSA-N 1 2 360.845 3.170 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(N2CCOCC2)CCC1 ZINC000329351122 499105773 /nfs/dbraw/zinc/10/57/73/499105773.db2.gz XAUJKJWBVUAWBD-UHFFFAOYSA-N 1 2 372.513 3.173 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329368513 499109818 /nfs/dbraw/zinc/10/98/18/499109818.db2.gz HXXOXYSJJLCKLR-BMGDILEWSA-N 1 2 358.486 3.471 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCCC[C@H]1O ZINC000329377876 499111412 /nfs/dbraw/zinc/11/14/12/499111412.db2.gz OSZGINUKBLJHPP-HUUCEWRRSA-N 1 2 352.504 3.149 20 30 FGEDLO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2nccn2C)cc1 ZINC000366920443 499115801 /nfs/dbraw/zinc/11/58/01/499115801.db2.gz GZADVNQEECZDCY-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO COc1cc(CN[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C#N ZINC000366923084 499116339 /nfs/dbraw/zinc/11/63/39/499116339.db2.gz RLOYNCIZXILUEZ-LJQANCHMSA-N 1 2 350.397 3.319 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC(=O)N1 ZINC000329455603 499123634 /nfs/dbraw/zinc/12/36/34/499123634.db2.gz PUUZHFNSQVQIJR-ZWKOTPCHSA-N 1 2 359.470 3.120 20 30 FGEDLO CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCOCC1 ZINC000329459482 499124074 /nfs/dbraw/zinc/12/40/74/499124074.db2.gz RQEGLWUHUDPDDT-IYBDPMFKSA-N 1 2 361.486 3.359 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1Cc3ccccc3CO1)C2 ZINC000329464375 499125420 /nfs/dbraw/zinc/12/54/20/499125420.db2.gz UXDORRWBVVSWIF-INIZCTEOSA-N 1 2 354.454 3.357 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1CC(C(F)(F)F)C1)C2 ZINC000329471471 499126231 /nfs/dbraw/zinc/12/62/31/499126231.db2.gz ZMIJYVWKPLQKNV-MOENNCHZSA-N 1 2 358.408 3.340 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1CC(C(F)(F)F)C1)C2 ZINC000329471471 499126232 /nfs/dbraw/zinc/12/62/32/499126232.db2.gz ZMIJYVWKPLQKNV-MOENNCHZSA-N 1 2 358.408 3.340 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)C1CCOCC1 ZINC000329476244 499126476 /nfs/dbraw/zinc/12/64/76/499126476.db2.gz NWCSACCTFOJBRB-IIAWOOMASA-N 1 2 366.531 3.111 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329484259 499127620 /nfs/dbraw/zinc/12/76/20/499127620.db2.gz WSVJXFHIWVMCAI-LLVKDONJSA-N 1 2 354.353 3.097 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCOCC2(CC2)C1 ZINC000329484259 499127622 /nfs/dbraw/zinc/12/76/22/499127622.db2.gz WSVJXFHIWVMCAI-LLVKDONJSA-N 1 2 354.353 3.097 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C3CC3)C1)C2 ZINC000329530821 499129362 /nfs/dbraw/zinc/12/93/62/499129362.db2.gz VXTMIODKNOFORS-CVEARBPZSA-N 1 2 372.513 3.101 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679874 499224174 /nfs/dbraw/zinc/22/41/74/499224174.db2.gz XHKPKYDJPGGALS-KDOFPFPSSA-N 1 2 354.406 3.381 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679874 499224176 /nfs/dbraw/zinc/22/41/76/499224176.db2.gz XHKPKYDJPGGALS-KDOFPFPSSA-N 1 2 354.406 3.381 20 30 FGEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367824766 499236170 /nfs/dbraw/zinc/23/61/70/499236170.db2.gz RTZJOKYVEJVGDH-KRWDZBQOSA-N 1 2 373.440 3.346 20 30 FGEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367824766 499236171 /nfs/dbraw/zinc/23/61/71/499236171.db2.gz RTZJOKYVEJVGDH-KRWDZBQOSA-N 1 2 373.440 3.346 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370961959 499275160 /nfs/dbraw/zinc/27/51/60/499275160.db2.gz YEPAHHURJPPMMH-KRWDZBQOSA-N 1 2 354.429 3.053 20 30 FGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000368481560 499300481 /nfs/dbraw/zinc/30/04/81/499300481.db2.gz HRVBCXNBIXDZGS-UHFFFAOYSA-N 1 2 362.481 3.074 20 30 FGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000368481560 499300482 /nfs/dbraw/zinc/30/04/82/499300482.db2.gz HRVBCXNBIXDZGS-UHFFFAOYSA-N 1 2 362.481 3.074 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000368564854 499308028 /nfs/dbraw/zinc/30/80/28/499308028.db2.gz WRRJPCHPBICNTQ-INIZCTEOSA-N 1 2 356.470 3.193 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccccn3)CC2)c(C#N)c1C ZINC000371324457 499310114 /nfs/dbraw/zinc/31/01/14/499310114.db2.gz XMLGSBZTIYFHPC-AWEZNQCLSA-N 1 2 352.438 3.370 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000368612634 499313654 /nfs/dbraw/zinc/31/36/54/499313654.db2.gz HSMRNIUBIQAPNC-OAHLLOKOSA-N 1 2 368.456 3.190 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371696641 499356325 /nfs/dbraw/zinc/35/63/25/499356325.db2.gz ORJSVGPTBKNGDI-UUWFMWQGSA-N 1 2 362.424 3.044 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000371696641 499356326 /nfs/dbraw/zinc/35/63/26/499356326.db2.gz ORJSVGPTBKNGDI-UUWFMWQGSA-N 1 2 362.424 3.044 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)no1 ZINC000369236182 499381283 /nfs/dbraw/zinc/38/12/83/499381283.db2.gz MIKULTPMXLRYST-CYBMUJFWSA-N 1 2 359.455 3.121 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2sccc2C#N)no1 ZINC000369236182 499381285 /nfs/dbraw/zinc/38/12/85/499381285.db2.gz MIKULTPMXLRYST-CYBMUJFWSA-N 1 2 359.455 3.121 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000371937476 499381828 /nfs/dbraw/zinc/38/18/28/499381828.db2.gz KRFYDLKKRZXSPO-UHFFFAOYSA-N 1 2 353.447 3.080 20 30 FGEDLO Cc1cnn(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000369274973 499386658 /nfs/dbraw/zinc/38/66/58/499386658.db2.gz UJAJZJIBXGMSGI-UHFFFAOYSA-N 1 2 369.494 3.083 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN[C@H](c3noc(C4CC4)n3)c3ccccc3)n2c1 ZINC000369477577 499407024 /nfs/dbraw/zinc/40/70/24/499407024.db2.gz BLHQPILRZBVVHU-IBGZPJMESA-N 1 2 370.416 3.346 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@]12c1ccccc1NC2=O ZINC000369515023 499411257 /nfs/dbraw/zinc/41/12/57/499411257.db2.gz GJFBXODYKAQTLS-ZHRRBRCNSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@]12c1ccccc1NC2=O ZINC000369515023 499411258 /nfs/dbraw/zinc/41/12/58/499411258.db2.gz GJFBXODYKAQTLS-ZHRRBRCNSA-N 1 2 354.413 3.080 20 30 FGEDLO C=CCc1ccc(OCC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000372251032 499413407 /nfs/dbraw/zinc/41/34/07/499413407.db2.gz HSTKVSKDZHZGOU-KRWDZBQOSA-N 1 2 369.465 3.001 20 30 FGEDLO C=CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccncc2)c(OC)c1 ZINC000369781829 499442751 /nfs/dbraw/zinc/44/27/51/499442751.db2.gz JIYFGGULEFEVJO-GOSISDBHSA-N 1 2 365.433 3.122 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000373179722 499455710 /nfs/dbraw/zinc/45/57/10/499455710.db2.gz LYGNXNBYCHSFJM-LJQANCHMSA-N 1 2 359.495 3.276 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000373179722 499455711 /nfs/dbraw/zinc/45/57/11/499455711.db2.gz LYGNXNBYCHSFJM-LJQANCHMSA-N 1 2 359.495 3.276 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000373179717 499455744 /nfs/dbraw/zinc/45/57/44/499455744.db2.gz LYGNXNBYCHSFJM-IBGZPJMESA-N 1 2 359.495 3.276 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000373179717 499455745 /nfs/dbraw/zinc/45/57/45/499455745.db2.gz LYGNXNBYCHSFJM-IBGZPJMESA-N 1 2 359.495 3.276 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378482492 499522574 /nfs/dbraw/zinc/52/25/74/499522574.db2.gz MKCDLRMIFNMSTH-GDBMZVCRSA-N 1 2 369.494 3.437 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375493688 499525770 /nfs/dbraw/zinc/52/57/70/499525770.db2.gz IUQDQXXSFRDIQK-OWCLPIDISA-N 1 2 350.422 3.083 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccccc3CO)CC2)c(C#N)c1C ZINC000375556280 499532029 /nfs/dbraw/zinc/53/20/29/499532029.db2.gz DTCGWDYRXXPEQF-UHFFFAOYSA-N 1 2 367.449 3.079 20 30 FGEDLO N#CC1(NC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCSCC1 ZINC000376179115 499589313 /nfs/dbraw/zinc/58/93/13/499589313.db2.gz XMRTVAGIQDKGBN-MRXNPFEDSA-N 1 2 366.490 3.018 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000409576958 499606923 /nfs/dbraw/zinc/60/69/23/499606923.db2.gz OZIVRTJZTDDFSW-UHFFFAOYSA-N 1 2 354.373 3.182 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc(C#N)c3)CCCCC2)no1 ZINC000411360329 499729438 /nfs/dbraw/zinc/72/94/38/499729438.db2.gz YNOPRVYIMZECNQ-UHFFFAOYSA-N 1 2 353.426 3.028 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)[nH+]cn2)C1 ZINC000413206145 499926792 /nfs/dbraw/zinc/92/67/92/499926792.db2.gz PJMHQVAXQNAHCG-SZMVWBNQSA-N 1 2 351.454 3.141 20 30 FGEDLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)nc[nH+]2)C1 ZINC000413206145 499926793 /nfs/dbraw/zinc/92/67/93/499926793.db2.gz PJMHQVAXQNAHCG-SZMVWBNQSA-N 1 2 351.454 3.141 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945220 499965502 /nfs/dbraw/zinc/96/55/02/499965502.db2.gz KCTVZLNNUFYUQH-COXVUDFISA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945220 499965506 /nfs/dbraw/zinc/96/55/06/499965506.db2.gz KCTVZLNNUFYUQH-COXVUDFISA-N 1 2 368.399 3.254 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000579429830 506171574 /nfs/dbraw/zinc/17/15/74/506171574.db2.gz IYKPTCXZGDIHLY-GDBMZVCRSA-N 1 2 364.515 3.232 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000413822460 500066229 /nfs/dbraw/zinc/06/62/29/500066229.db2.gz KTYFYDMCNXWREZ-LJQANCHMSA-N 1 2 353.466 3.294 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000413824473 500067485 /nfs/dbraw/zinc/06/74/85/500067485.db2.gz CUOTUQQZIMOMQY-FQEVSTJZSA-N 1 2 364.493 3.409 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000425394586 500093052 /nfs/dbraw/zinc/09/30/52/500093052.db2.gz LKGXYYGZLALHJY-OAHLLOKOSA-N 1 2 351.454 3.036 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000570488198 506178504 /nfs/dbraw/zinc/17/85/04/506178504.db2.gz POHQMPXPZZMOTM-ZDUSSCGKSA-N 1 2 357.483 3.240 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000570488198 506178508 /nfs/dbraw/zinc/17/85/08/506178508.db2.gz POHQMPXPZZMOTM-ZDUSSCGKSA-N 1 2 357.483 3.240 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000422179594 500228308 /nfs/dbraw/zinc/22/83/08/500228308.db2.gz KHBMEWUAXMDDTO-UHFFFAOYSA-N 1 2 374.897 3.131 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000422179594 500228310 /nfs/dbraw/zinc/22/83/10/500228310.db2.gz KHBMEWUAXMDDTO-UHFFFAOYSA-N 1 2 374.897 3.131 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(CC#N)CC2)C[C@H](C)O1 ZINC000431111104 500337376 /nfs/dbraw/zinc/33/73/76/500337376.db2.gz JYFYXKPELKYVBN-IYBDPMFKSA-N 1 2 356.470 3.111 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(CC#N)CC2)C[C@H](C)O1 ZINC000431111104 500337379 /nfs/dbraw/zinc/33/73/79/500337379.db2.gz JYFYXKPELKYVBN-IYBDPMFKSA-N 1 2 356.470 3.111 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000573419065 506190344 /nfs/dbraw/zinc/19/03/44/506190344.db2.gz BXAPOFUCNDKESY-MSOLQXFVSA-N 1 2 350.422 3.067 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)c(OCCC)c(OC)c2)nn1 ZINC000424168878 500463016 /nfs/dbraw/zinc/46/30/16/500463016.db2.gz GQNJEDCWGSRSED-UHFFFAOYSA-N 1 2 350.850 3.205 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000432111093 500470706 /nfs/dbraw/zinc/47/07/06/500470706.db2.gz YKACONVGXJJVDW-LJQANCHMSA-N 1 2 359.514 3.270 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cncc(C#N)n1 ZINC000420597513 500475934 /nfs/dbraw/zinc/47/59/34/500475934.db2.gz AWMZISPSJGHBNX-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc(C#N)s1 ZINC000420778241 500498519 /nfs/dbraw/zinc/49/85/19/500498519.db2.gz IWBRTGWCCJXQIK-UHFFFAOYSA-N 1 2 353.451 3.167 20 30 FGEDLO C=CCC1(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCOCC1 ZINC000424668252 500539145 /nfs/dbraw/zinc/53/91/45/500539145.db2.gz QPLIZCPWMXPJDZ-INIZCTEOSA-N 1 2 352.425 3.057 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)NCc2ccc(C#N)s2)c1)[NH+]1CCOCC1 ZINC000421064213 500568571 /nfs/dbraw/zinc/56/85/71/500568571.db2.gz NQWQLQBAXZLHRI-AWEZNQCLSA-N 1 2 370.478 3.335 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298362 500587204 /nfs/dbraw/zinc/58/72/04/500587204.db2.gz GLLVLGJGMOHJQB-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298362 500587209 /nfs/dbraw/zinc/58/72/09/500587209.db2.gz GLLVLGJGMOHJQB-QRWLVFNGSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cccn2cc(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)[nH+]c12 ZINC000447461260 500609278 /nfs/dbraw/zinc/60/92/78/500609278.db2.gz MTWLTAWPMHBPOX-UHFFFAOYSA-N 1 2 357.373 3.099 20 30 FGEDLO CCOC(=O)c1cnc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000442676122 500610456 /nfs/dbraw/zinc/61/04/56/500610456.db2.gz KXDSKWOKZNJXBX-CQSZACIVSA-N 1 2 370.478 3.075 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)ccc1C#N ZINC000442882196 500639889 /nfs/dbraw/zinc/63/98/89/500639889.db2.gz PYGGOFRTWRUBNS-UHFFFAOYSA-N 1 2 374.444 3.006 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C#N)CCc2ccccc2)c[nH+]1 ZINC000433309646 500668124 /nfs/dbraw/zinc/66/81/24/500668124.db2.gz BVPAYUDBFQSXSJ-IBGZPJMESA-N 1 2 350.466 3.317 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000447830471 500672108 /nfs/dbraw/zinc/67/21/08/500672108.db2.gz IXZOJDPIWWNLOR-IBGZPJMESA-N 1 2 373.497 3.079 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000447830471 500672109 /nfs/dbraw/zinc/67/21/09/500672109.db2.gz IXZOJDPIWWNLOR-IBGZPJMESA-N 1 2 373.497 3.079 20 30 FGEDLO C=CCn1c(COc2ccccc2)nnc1SCc1cc[nH+]c(N)c1 ZINC000443481918 500729369 /nfs/dbraw/zinc/72/93/69/500729369.db2.gz HUCAGRKIRVAGRE-UHFFFAOYSA-N 1 2 353.451 3.143 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000570711922 506214755 /nfs/dbraw/zinc/21/47/55/506214755.db2.gz VFFHSLJJPUZLBR-DZGCQCFKSA-N 1 2 351.454 3.425 20 30 FGEDLO C=CCN(Cc1c[nH+]c2ccccn12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438280045 500762690 /nfs/dbraw/zinc/76/26/90/500762690.db2.gz JDVHYLVRTYHBGF-HXUWFJFHSA-N 1 2 363.461 3.497 20 30 FGEDLO Clc1cccc(C#CC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000448523186 500767521 /nfs/dbraw/zinc/76/75/21/500767521.db2.gz XTQCANPYIQFKCF-UHFFFAOYSA-N 1 2 364.880 3.157 20 30 FGEDLO CC(C)c1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000448623102 500788285 /nfs/dbraw/zinc/78/82/85/500788285.db2.gz QHTOIZYYJSTNDK-UHFFFAOYSA-N 1 2 368.506 3.486 20 30 FGEDLO CC(C)c1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000448623102 500788286 /nfs/dbraw/zinc/78/82/86/500788286.db2.gz QHTOIZYYJSTNDK-UHFFFAOYSA-N 1 2 368.506 3.486 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000444205684 500817443 /nfs/dbraw/zinc/81/74/43/500817443.db2.gz NJBWYQWPAVVZOQ-QPIRBTGLSA-N 1 2 361.530 3.341 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000444205684 500817445 /nfs/dbraw/zinc/81/74/45/500817445.db2.gz NJBWYQWPAVVZOQ-QPIRBTGLSA-N 1 2 361.530 3.341 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580179 506221541 /nfs/dbraw/zinc/22/15/41/506221541.db2.gz SBWVDAQOXCJGIN-ZWNOBZJWSA-N 1 2 357.788 3.242 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580179 506221542 /nfs/dbraw/zinc/22/15/42/506221542.db2.gz SBWVDAQOXCJGIN-ZWNOBZJWSA-N 1 2 357.788 3.242 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448958210 500881168 /nfs/dbraw/zinc/88/11/68/500881168.db2.gz WFNKAVCOPBDPJP-OAHLLOKOSA-N 1 2 374.847 3.084 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448958210 500881169 /nfs/dbraw/zinc/88/11/69/500881169.db2.gz WFNKAVCOPBDPJP-OAHLLOKOSA-N 1 2 374.847 3.084 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1C#N ZINC000444768247 500895530 /nfs/dbraw/zinc/89/55/30/500895530.db2.gz SXOBHJKIBPLXRD-UHFFFAOYSA-N 1 2 366.852 3.414 20 30 FGEDLO Cc1cccc2[nH+]c(CN3CCN(c4ccc(C#N)cc4Cl)CC3)cn21 ZINC000444786238 500901276 /nfs/dbraw/zinc/90/12/76/500901276.db2.gz SRCLXXZJMXDJRD-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccncc2)n1 ZINC000435138911 500938215 /nfs/dbraw/zinc/93/82/15/500938215.db2.gz UQGZJRQZURDJJC-IBGZPJMESA-N 1 2 363.421 3.025 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(-c2ccncc2)n1 ZINC000435138911 500938218 /nfs/dbraw/zinc/93/82/18/500938218.db2.gz UQGZJRQZURDJJC-IBGZPJMESA-N 1 2 363.421 3.025 20 30 FGEDLO CN(C)c1ccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c[nH+]1 ZINC000435631716 501005251 /nfs/dbraw/zinc/00/52/51/501005251.db2.gz GVNOZHDEVLHNHL-UHFFFAOYSA-N 1 2 361.449 3.336 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)o1 ZINC000588199225 506229992 /nfs/dbraw/zinc/22/99/92/506229992.db2.gz YMBPRYSRKJVGCP-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)o1 ZINC000588199225 506229999 /nfs/dbraw/zinc/22/99/99/506229999.db2.gz YMBPRYSRKJVGCP-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO COc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000440623689 501030328 /nfs/dbraw/zinc/03/03/28/501030328.db2.gz KPGZUQWVZDMIGK-GASCZTMLSA-N 1 2 352.438 3.188 20 30 FGEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)CC2)cc1 ZINC000435832559 501035198 /nfs/dbraw/zinc/03/51/98/501035198.db2.gz ACVNUAHUNCJGMX-DAXSKMNVSA-N 1 2 371.484 3.447 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435891546 501042213 /nfs/dbraw/zinc/04/22/13/501042213.db2.gz AFWVYKFPYPPEMF-KUHUBIRLSA-N 1 2 360.454 3.270 20 30 FGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)Cc2ccccc21 ZINC000441120924 501090857 /nfs/dbraw/zinc/09/08/57/501090857.db2.gz XATDAUNCFNHTEY-IBGZPJMESA-N 1 2 350.418 3.229 20 30 FGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)Cc2ccccc21 ZINC000441120924 501090859 /nfs/dbraw/zinc/09/08/59/501090859.db2.gz XATDAUNCFNHTEY-IBGZPJMESA-N 1 2 350.418 3.229 20 30 FGEDLO C=CC[N@H+](Cc1nnc(C2CC2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450387190 501108267 /nfs/dbraw/zinc/10/82/67/501108267.db2.gz GGZXPBOZDJPVCR-CYBMUJFWSA-N 1 2 367.482 3.140 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(C2CC2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450387190 501108270 /nfs/dbraw/zinc/10/82/70/501108270.db2.gz GGZXPBOZDJPVCR-CYBMUJFWSA-N 1 2 367.482 3.140 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441429484 501137663 /nfs/dbraw/zinc/13/76/63/501137663.db2.gz PFMNQUOBCPXXRZ-GCJKJVERSA-N 1 2 374.525 3.347 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441429484 501137668 /nfs/dbraw/zinc/13/76/68/501137668.db2.gz PFMNQUOBCPXXRZ-GCJKJVERSA-N 1 2 374.525 3.347 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(Br)cc1C#N ZINC000449983405 501145303 /nfs/dbraw/zinc/14/53/03/501145303.db2.gz AYIMYPNNTVRQCP-UHFFFAOYSA-N 1 2 361.243 3.103 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)OCC)cn1 ZINC000450297055 501228254 /nfs/dbraw/zinc/22/82/54/501228254.db2.gz GXZVOSVLNRPQLU-UHFFFAOYSA-N 1 2 355.394 3.355 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)OCC)cn1 ZINC000450297055 501228255 /nfs/dbraw/zinc/22/82/55/501228255.db2.gz GXZVOSVLNRPQLU-UHFFFAOYSA-N 1 2 355.394 3.355 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(OC)c1 ZINC000588235543 506244983 /nfs/dbraw/zinc/24/49/83/506244983.db2.gz PXRRXGMQBPUSMY-UHFFFAOYSA-N 1 2 359.491 3.200 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(OC)c1 ZINC000588235543 506244985 /nfs/dbraw/zinc/24/49/85/506244985.db2.gz PXRRXGMQBPUSMY-UHFFFAOYSA-N 1 2 359.491 3.200 20 30 FGEDLO Cc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455576686 501338456 /nfs/dbraw/zinc/33/84/56/501338456.db2.gz INAXMXRLRJEVBV-GOSISDBHSA-N 1 2 362.477 3.455 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451803386 501375037 /nfs/dbraw/zinc/37/50/37/501375037.db2.gz UZYUOHUUTXXQBA-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451803386 501375039 /nfs/dbraw/zinc/37/50/39/501375039.db2.gz UZYUOHUUTXXQBA-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455739075 501376379 /nfs/dbraw/zinc/37/63/79/501376379.db2.gz WGZVEMKOYAXLKS-UHFFFAOYSA-N 1 2 369.856 3.464 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C1CC1 ZINC000455870417 501403808 /nfs/dbraw/zinc/40/38/08/501403808.db2.gz SFUHZRWITKSPRD-JTQLQIEISA-N 1 2 366.263 3.066 20 30 FGEDLO C=CCC1(CNC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCCC1 ZINC000453971148 501435127 /nfs/dbraw/zinc/43/51/27/501435127.db2.gz ILSARJBUJBSNMK-UHFFFAOYSA-N 1 2 366.465 3.278 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(CCC#N)CC3)cn2c1 ZINC000592819781 506261348 /nfs/dbraw/zinc/26/13/48/506261348.db2.gz LBUUCOGXMYBDQU-UHFFFAOYSA-N 1 2 356.495 3.418 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596107014 506262283 /nfs/dbraw/zinc/26/22/83/506262283.db2.gz UCGJWBKJUVNJFY-UHFFFAOYSA-N 1 2 361.449 3.451 20 30 FGEDLO C[C@H]1CN(c2ccccc2C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000459603796 501685359 /nfs/dbraw/zinc/68/53/59/501685359.db2.gz ASOHTVKPKCNHTG-KRWDZBQOSA-N 1 2 363.461 3.047 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459731019 501705597 /nfs/dbraw/zinc/70/55/97/501705597.db2.gz SRXRXYSIJBCOLZ-NVXWUHKLSA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459731019 501705599 /nfs/dbraw/zinc/70/55/99/501705599.db2.gz SRXRXYSIJBCOLZ-NVXWUHKLSA-N 1 2 358.507 3.404 20 30 FGEDLO CN(C)c1ccc2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000470837875 501824130 /nfs/dbraw/zinc/82/41/30/501824130.db2.gz YFENDLIEIFTLFT-SFHVURJKSA-N 1 2 369.428 3.493 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000474423158 501831523 /nfs/dbraw/zinc/83/15/23/501831523.db2.gz XJPSMRHYQRRGFW-INIZCTEOSA-N 1 2 358.323 3.143 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000470915176 501853865 /nfs/dbraw/zinc/85/38/65/501853865.db2.gz DGDBYMJOPOBXFA-QFIPXVFZSA-N 1 2 364.489 3.381 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000470915176 501853871 /nfs/dbraw/zinc/85/38/71/501853871.db2.gz DGDBYMJOPOBXFA-QFIPXVFZSA-N 1 2 364.489 3.381 20 30 FGEDLO Cc1noc(C)c1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470992929 501884816 /nfs/dbraw/zinc/88/48/16/501884816.db2.gz JHTRPCNFCVCZTP-LJQANCHMSA-N 1 2 358.873 3.370 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)ccc1OC ZINC000485686966 501900830 /nfs/dbraw/zinc/90/08/30/501900830.db2.gz KSAARCOGIYFDRC-LJQANCHMSA-N 1 2 361.482 3.278 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)ccc1OC ZINC000485686966 501900834 /nfs/dbraw/zinc/90/08/34/501900834.db2.gz KSAARCOGIYFDRC-LJQANCHMSA-N 1 2 361.482 3.278 20 30 FGEDLO COc1cc(NCc2c(F)cc(C#N)cc2F)[nH+]cc1Br ZINC000485954488 502000033 /nfs/dbraw/zinc/00/00/33/502000033.db2.gz SWEBKWRVDQIKET-UHFFFAOYSA-N 1 2 354.154 3.037 20 30 FGEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000602757500 506287275 /nfs/dbraw/zinc/28/72/75/506287275.db2.gz HBKJVEXSLAARJQ-UHFFFAOYSA-N 1 2 351.372 3.157 20 30 FGEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000607870502 506294001 /nfs/dbraw/zinc/29/40/01/506294001.db2.gz HTNFNNQVCUWLFB-GOSISDBHSA-N 1 2 352.425 3.153 20 30 FGEDLO COCc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000475345431 502142799 /nfs/dbraw/zinc/14/27/99/502142799.db2.gz JBSLUCFWSMUWJI-IBGZPJMESA-N 1 2 359.857 3.462 20 30 FGEDLO Cc1cc(N2CCN(c3nc(C)c(C#N)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000461716607 502177489 /nfs/dbraw/zinc/17/74/89/502177489.db2.gz FWTVMHRGGQDLOD-UHFFFAOYSA-N 1 2 370.888 3.464 20 30 FGEDLO Cc1ccn2cc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)[nH+]c2c1 ZINC000479399607 502247636 /nfs/dbraw/zinc/24/76/36/502247636.db2.gz OQKKDYPTRQNMLM-UHFFFAOYSA-N 1 2 370.460 3.474 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000465617483 502327016 /nfs/dbraw/zinc/32/70/16/502327016.db2.gz ATLNDTOMUSBYIN-UHFFFAOYSA-N 1 2 366.465 3.153 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000465617483 502327019 /nfs/dbraw/zinc/32/70/19/502327019.db2.gz ATLNDTOMUSBYIN-UHFFFAOYSA-N 1 2 366.465 3.153 20 30 FGEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000483417371 502383750 /nfs/dbraw/zinc/38/37/50/502383750.db2.gz FFUBXHIGIJNTRV-HNNXBMFYSA-N 1 2 368.433 3.139 20 30 FGEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000483417371 502383751 /nfs/dbraw/zinc/38/37/51/502383751.db2.gz FFUBXHIGIJNTRV-HNNXBMFYSA-N 1 2 368.433 3.139 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000479886573 502409223 /nfs/dbraw/zinc/40/92/23/502409223.db2.gz NHZNGGLOYNIBIG-QOKNQOGYSA-N 1 2 356.495 3.265 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000488089787 502623838 /nfs/dbraw/zinc/62/38/38/502623838.db2.gz JXWOMZFPDFUGKE-SFHVURJKSA-N 1 2 366.509 3.352 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000488359952 502692863 /nfs/dbraw/zinc/69/28/63/502692863.db2.gz BUNXWAOTUCTGQZ-UHFFFAOYSA-N 1 2 353.466 3.031 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@H](C#N)C(C)C)cc3)[nH+]c12 ZINC000470355103 502747215 /nfs/dbraw/zinc/74/72/15/502747215.db2.gz BZJYYBOHRKJFFT-LJQANCHMSA-N 1 2 362.433 3.500 20 30 FGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369774 502752978 /nfs/dbraw/zinc/75/29/78/502752978.db2.gz QDUKDMQDFWKPRQ-CVEARBPZSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369774 502752984 /nfs/dbraw/zinc/75/29/84/502752984.db2.gz QDUKDMQDFWKPRQ-CVEARBPZSA-N 1 2 363.889 3.394 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000488574642 502754733 /nfs/dbraw/zinc/75/47/33/502754733.db2.gz RPTMFGZKVYZRCP-AUUYWEPGSA-N 1 2 353.853 3.488 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481259472 502799962 /nfs/dbraw/zinc/79/99/62/502799962.db2.gz QYORLRHYOZPBJO-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO C=CCSCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000509175362 502840099 /nfs/dbraw/zinc/84/00/99/502840099.db2.gz ZESAWZVHRHHZPC-GOSISDBHSA-N 1 2 358.511 3.460 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000593017601 506338361 /nfs/dbraw/zinc/33/83/61/506338361.db2.gz CGZYYKQYPXPIBY-UHFFFAOYSA-N 1 2 350.422 3.406 20 30 FGEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000505307785 502886663 /nfs/dbraw/zinc/88/66/63/502886663.db2.gz JEAVVIYFVMRPDR-FQEVSTJZSA-N 1 2 360.417 3.233 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513593976 502974495 /nfs/dbraw/zinc/97/44/95/502974495.db2.gz KIDMMKOGJIRGDU-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513593976 502974496 /nfs/dbraw/zinc/97/44/96/502974496.db2.gz KIDMMKOGJIRGDU-JLTOFOAXSA-N 1 2 367.836 3.064 20 30 FGEDLO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513655056 502991884 /nfs/dbraw/zinc/99/18/84/502991884.db2.gz OXGWUWVHVBIURM-VGSWGCGISA-N 1 2 361.445 3.319 20 30 FGEDLO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513655056 502991886 /nfs/dbraw/zinc/99/18/86/502991886.db2.gz OXGWUWVHVBIURM-VGSWGCGISA-N 1 2 361.445 3.319 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)sc1C ZINC000602906974 506346283 /nfs/dbraw/zinc/34/62/83/506346283.db2.gz JMPSGBKFJZWDFV-ZDUSSCGKSA-N 1 2 369.494 3.233 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)n2)cc1 ZINC000506040394 503034916 /nfs/dbraw/zinc/03/49/16/503034916.db2.gz AWZBFAUDFALVTI-UHFFFAOYSA-N 1 2 370.478 3.383 20 30 FGEDLO Cc1cc([C@H](C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)nc(C)n1 ZINC000489888498 503057404 /nfs/dbraw/zinc/05/74/04/503057404.db2.gz PGWYGLGDBNXPOL-ZDUSSCGKSA-N 1 2 368.347 3.102 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602914104 506349995 /nfs/dbraw/zinc/34/99/95/506349995.db2.gz XTUJYIAZBNVDIE-ZDUSSCGKSA-N 1 2 370.403 3.438 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000490053803 503099680 /nfs/dbraw/zinc/09/96/80/503099680.db2.gz AKIKJGSLCKRCRY-VIFPVBQESA-N 1 2 354.357 3.323 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)s1 ZINC000506635184 503146928 /nfs/dbraw/zinc/14/69/28/503146928.db2.gz VZRVDXZLDOAZJE-LJQANCHMSA-N 1 2 351.475 3.169 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)s1 ZINC000506635184 503146934 /nfs/dbraw/zinc/14/69/34/503146934.db2.gz VZRVDXZLDOAZJE-LJQANCHMSA-N 1 2 351.475 3.169 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)CC(c1ccccc1)c1ccccc1 ZINC000506804021 503175349 /nfs/dbraw/zinc/17/53/49/503175349.db2.gz DKSIGOXXDCTWJK-UHFFFAOYSA-N 1 2 363.505 3.366 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048112 506357719 /nfs/dbraw/zinc/35/77/19/506357719.db2.gz ACOJMNCZPURTEG-HNNXBMFYSA-N 1 2 373.522 3.114 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000502539682 503220372 /nfs/dbraw/zinc/22/03/72/503220372.db2.gz HZBLAMJJYQAIHE-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000502539682 503220373 /nfs/dbraw/zinc/22/03/73/503220373.db2.gz HZBLAMJJYQAIHE-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO Cc1[nH+]c(N2CCC[C@@H](CC#N)C2)nc(N2CCC[C@@H](CC#N)C2)c1F ZINC000596328644 506359935 /nfs/dbraw/zinc/35/99/35/506359935.db2.gz IFXIUCPZTPYHNL-HOTGVXAUSA-N 1 2 356.449 3.184 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1OCCc2ccccc21 ZINC000507270918 503265475 /nfs/dbraw/zinc/26/54/75/503265475.db2.gz ABSDHVGKXPENIQ-LJQANCHMSA-N 1 2 369.852 3.396 20 30 FGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1OCCc2ccccc21 ZINC000507270918 503265477 /nfs/dbraw/zinc/26/54/77/503265477.db2.gz ABSDHVGKXPENIQ-LJQANCHMSA-N 1 2 369.852 3.396 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507306258 503274242 /nfs/dbraw/zinc/27/42/42/503274242.db2.gz QFXDBETXHDCPCT-RMJJICAUSA-N 1 2 368.525 3.010 20 30 FGEDLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319734 503276755 /nfs/dbraw/zinc/27/67/55/503276755.db2.gz PNXNQFAORXZKTC-QZTJIDSGSA-N 1 2 374.488 3.047 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602977338 506370917 /nfs/dbraw/zinc/37/09/17/506370917.db2.gz ADUJMHMHIYTBNS-ABAIWWIYSA-N 1 2 357.351 3.085 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602977338 506370924 /nfs/dbraw/zinc/37/09/24/506370924.db2.gz ADUJMHMHIYTBNS-ABAIWWIYSA-N 1 2 357.351 3.085 20 30 FGEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCCC1(C)C ZINC000515766214 503398604 /nfs/dbraw/zinc/39/86/04/503398604.db2.gz HXXJEDLDOQPBFW-GOSISDBHSA-N 1 2 368.481 3.414 20 30 FGEDLO Cc1ccn2cc(CNC(=O)[C@H](Oc3ccccc3C#N)C(C)C)[nH+]c2c1 ZINC000515987919 503428931 /nfs/dbraw/zinc/42/89/31/503428931.db2.gz UJTSYMMFWKQDTA-HXUWFJFHSA-N 1 2 362.433 3.234 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2Cl)C1=O ZINC000499730478 503469505 /nfs/dbraw/zinc/46/95/05/503469505.db2.gz BSYXPWMJARHFLX-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2Cl)C1=O ZINC000499730478 503469509 /nfs/dbraw/zinc/46/95/09/503469509.db2.gz BSYXPWMJARHFLX-CQSZACIVSA-N 1 2 357.679 3.321 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000512201200 503485084 /nfs/dbraw/zinc/48/50/84/503485084.db2.gz YKHGAPZJAIBVNH-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000512201200 503485087 /nfs/dbraw/zinc/48/50/87/503485087.db2.gz YKHGAPZJAIBVNH-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000512214293 503488768 /nfs/dbraw/zinc/48/87/68/503488768.db2.gz RFWVOCBNVSOBQX-ZDUSSCGKSA-N 1 2 363.845 3.226 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000512214293 503488771 /nfs/dbraw/zinc/48/87/71/503488771.db2.gz RFWVOCBNVSOBQX-ZDUSSCGKSA-N 1 2 363.845 3.226 20 30 FGEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4ccc(Cl)cn34)CC2)c(F)c1 ZINC000512244237 503496478 /nfs/dbraw/zinc/49/64/78/503496478.db2.gz NDZOENATKPSAHL-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccccc1C#N ZINC000499938406 503515442 /nfs/dbraw/zinc/51/54/42/503515442.db2.gz JQJDUCKWOFPOCW-BDJLRTHQSA-N 1 2 361.804 3.001 20 30 FGEDLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494266876 503515645 /nfs/dbraw/zinc/51/56/45/503515645.db2.gz BOEKLEJUOGQYEF-VKAVYKQESA-N 1 2 354.475 3.367 20 30 FGEDLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494266876 503515646 /nfs/dbraw/zinc/51/56/46/503515646.db2.gz BOEKLEJUOGQYEF-VKAVYKQESA-N 1 2 354.475 3.367 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000512444894 503554272 /nfs/dbraw/zinc/55/42/72/503554272.db2.gz UDEQMHOXJLEDSY-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120878 503559695 /nfs/dbraw/zinc/55/96/95/503559695.db2.gz YMWSOUJUWDRDJC-INIZCTEOSA-N 1 2 369.431 3.357 20 30 FGEDLO C[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120878 503559697 /nfs/dbraw/zinc/55/96/97/503559697.db2.gz YMWSOUJUWDRDJC-INIZCTEOSA-N 1 2 369.431 3.357 20 30 FGEDLO C[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000500120878 503559701 /nfs/dbraw/zinc/55/97/01/503559701.db2.gz YMWSOUJUWDRDJC-INIZCTEOSA-N 1 2 369.431 3.357 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C(C)C)c1 ZINC000512506302 503572780 /nfs/dbraw/zinc/57/27/80/503572780.db2.gz JOPNTNUCBRRJEB-UHFFFAOYSA-N 1 2 371.441 3.389 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C(C)C)c1 ZINC000512506302 503572782 /nfs/dbraw/zinc/57/27/82/503572782.db2.gz JOPNTNUCBRRJEB-UHFFFAOYSA-N 1 2 371.441 3.389 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000494699745 503594821 /nfs/dbraw/zinc/59/48/21/503594821.db2.gz RRYFLHRIQGGWDK-PMACEKPBSA-N 1 2 357.498 3.118 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(-c3cccc(C#N)c3)no1)CCC2 ZINC000516827949 503594782 /nfs/dbraw/zinc/59/47/82/503594782.db2.gz ICYQDHZZYFIWSC-INIZCTEOSA-N 1 2 361.405 3.026 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000500391030 503613109 /nfs/dbraw/zinc/61/31/09/503613109.db2.gz SAZAXXILALIPBC-UHFFFAOYSA-N 1 2 365.481 3.445 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000500391030 503613113 /nfs/dbraw/zinc/61/31/13/503613113.db2.gz SAZAXXILALIPBC-UHFFFAOYSA-N 1 2 365.481 3.445 20 30 FGEDLO Cc1onc(CC(=O)Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c1C#N ZINC000500428362 503622357 /nfs/dbraw/zinc/62/23/57/503622357.db2.gz AXEQSEOWXKLEDK-UHFFFAOYSA-N 1 2 351.410 3.220 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000495072039 503658206 /nfs/dbraw/zinc/65/82/06/503658206.db2.gz ZMFUTNPYARFUKO-HXUWFJFHSA-N 1 2 374.868 3.338 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000532958167 503675084 /nfs/dbraw/zinc/67/50/84/503675084.db2.gz AZIAMFQYUOPYIO-UHFFFAOYSA-N 1 2 358.423 3.309 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3cccs3)CC2)cc1 ZINC000536731329 503701900 /nfs/dbraw/zinc/70/19/00/503701900.db2.gz FKCREGUDZCYYIU-UHFFFAOYSA-N 1 2 368.506 3.080 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377702 503783077 /nfs/dbraw/zinc/78/30/77/503783077.db2.gz HALZGGMITFPSSM-GFCCVEGCSA-N 1 2 350.260 3.004 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377702 503783082 /nfs/dbraw/zinc/78/30/82/503783082.db2.gz HALZGGMITFPSSM-GFCCVEGCSA-N 1 2 350.260 3.004 20 30 FGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(I)cc2)CC1 ZINC000533280227 503789943 /nfs/dbraw/zinc/78/99/43/503789943.db2.gz ACTFPWSFRJYBKE-LBPRGKRZSA-N 1 2 370.234 3.270 20 30 FGEDLO CC(C)OC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000533338572 503811277 /nfs/dbraw/zinc/81/12/77/503811277.db2.gz JCFBFCYPCPHLFF-ZDUSSCGKSA-N 1 2 361.511 3.325 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000533359019 503817388 /nfs/dbraw/zinc/81/73/88/503817388.db2.gz VHIZIDLVUDXRLJ-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc([S@@](C)=O)cc1 ZINC000537167052 503824831 /nfs/dbraw/zinc/82/48/31/503824831.db2.gz PCYOSEIDKCILPW-WHDAMIPWSA-N 1 2 366.446 3.196 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCCOc2ccccc2C#N)c1C(=O)OC ZINC000518613910 504028535 /nfs/dbraw/zinc/02/85/35/504028535.db2.gz JSXJOJBKGFBWAH-UHFFFAOYSA-N 1 2 354.406 3.459 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)n1cnc(C#N)n1 ZINC000541222505 504049029 /nfs/dbraw/zinc/04/90/29/504049029.db2.gz KSBNLOTVQSJVBW-LLVKDONJSA-N 1 2 368.784 3.190 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C2CC2)cc1 ZINC000541316001 504085757 /nfs/dbraw/zinc/08/57/57/504085757.db2.gz QVKXONRYFHANLJ-UHFFFAOYSA-N 1 2 358.445 3.159 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C2CC2)cc1 ZINC000541316001 504085761 /nfs/dbraw/zinc/08/57/61/504085761.db2.gz QVKXONRYFHANLJ-UHFFFAOYSA-N 1 2 358.445 3.159 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000530909200 504127633 /nfs/dbraw/zinc/12/76/33/504127633.db2.gz SPMVAXACBWULDL-IBGZPJMESA-N 1 2 364.836 3.393 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CC=CCC3)CC2)cc1 ZINC000528234650 504128905 /nfs/dbraw/zinc/12/89/05/504128905.db2.gz LKLXXMYCMZNKOT-SFHVURJKSA-N 1 2 352.482 3.132 20 30 FGEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000534580575 504182116 /nfs/dbraw/zinc/18/21/16/504182116.db2.gz GSHBUYWWBSOSDJ-MRXNPFEDSA-N 1 2 365.905 3.321 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000534691832 504216089 /nfs/dbraw/zinc/21/60/89/504216089.db2.gz NBXDTHIROBZDDO-UHFFFAOYSA-N 1 2 364.474 3.499 20 30 FGEDLO N#Cc1ccc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000538501220 504265287 /nfs/dbraw/zinc/26/52/87/504265287.db2.gz XWRCBRMDSWNLKC-UHFFFAOYSA-N 1 2 356.433 3.229 20 30 FGEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)cc1 ZINC000538501220 504265295 /nfs/dbraw/zinc/26/52/95/504265295.db2.gz XWRCBRMDSWNLKC-UHFFFAOYSA-N 1 2 356.433 3.229 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000531342280 504272284 /nfs/dbraw/zinc/27/22/84/504272284.db2.gz BMJYSLBUAOMEDT-LAUBAEHRSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000531342280 504272290 /nfs/dbraw/zinc/27/22/90/504272290.db2.gz BMJYSLBUAOMEDT-LAUBAEHRSA-N 1 2 372.513 3.089 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541999658 504330791 /nfs/dbraw/zinc/33/07/91/504330791.db2.gz QNRHQTZHUIAUGD-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761285 504368589 /nfs/dbraw/zinc/36/85/89/504368589.db2.gz HBCVRFUJQSMSPH-INIZCTEOSA-N 1 2 373.460 3.189 20 30 FGEDLO COc1ccc([C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)cn1 ZINC000528847762 504413101 /nfs/dbraw/zinc/41/31/01/504413101.db2.gz OBQIWIDSEXBXNS-LJQANCHMSA-N 1 2 361.405 3.253 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1C ZINC000548426017 504441320 /nfs/dbraw/zinc/44/13/20/504441320.db2.gz DANMJQLQHHNVBM-OXQOHEQNSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1C ZINC000548426017 504441321 /nfs/dbraw/zinc/44/13/21/504441321.db2.gz DANMJQLQHHNVBM-OXQOHEQNSA-N 1 2 355.482 3.049 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528961730 504471654 /nfs/dbraw/zinc/47/16/54/504471654.db2.gz ZMAHEJGNQJECEP-UHFFFAOYSA-N 1 2 373.460 3.272 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000535590466 504480943 /nfs/dbraw/zinc/48/09/43/504480943.db2.gz XDXUXBPWOVNDFK-SJORKVTESA-N 1 2 364.287 3.376 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000535590464 504480991 /nfs/dbraw/zinc/48/09/91/504480991.db2.gz XDXUXBPWOVNDFK-IAGOWNOFSA-N 1 2 364.287 3.376 20 30 FGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCNc1cccc[nH+]1 ZINC000539186415 504494267 /nfs/dbraw/zinc/49/42/67/504494267.db2.gz DDCFOYXBCQDIDS-UHFFFAOYSA-N 1 2 369.375 3.439 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1[nH+]ccn1CC(F)(F)F ZINC000539189079 504495156 /nfs/dbraw/zinc/49/51/56/504495156.db2.gz QMQNFRZSQHNRRO-UHFFFAOYSA-N 1 2 363.318 3.347 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(OC(F)F)cc1C ZINC000545552365 504524034 /nfs/dbraw/zinc/52/40/34/504524034.db2.gz YYUWLWSADOEZOT-UHFFFAOYSA-N 1 2 372.419 3.494 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000539378735 504547756 /nfs/dbraw/zinc/54/77/56/504547756.db2.gz GAKUYHCZDSAEGU-CYBMUJFWSA-N 1 2 353.378 3.412 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc[nH+]1 ZINC000542635299 504561162 /nfs/dbraw/zinc/56/11/62/504561162.db2.gz VSWPAKADFWCEKI-UHFFFAOYSA-N 1 2 357.417 3.137 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)OCC ZINC000535889461 504573771 /nfs/dbraw/zinc/57/37/71/504573771.db2.gz MSLUDZQOUKCVLH-GOSISDBHSA-N 1 2 350.528 3.326 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCOCC2(CCC2)C1)c1cccc(Cl)c1 ZINC000546103733 504710091 /nfs/dbraw/zinc/71/00/91/504710091.db2.gz JAEAEKONLMIJPW-UHFFFAOYSA-N 1 2 361.873 3.089 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCOCC2(CCC2)C1)c1cccc(Cl)c1 ZINC000546103733 504710094 /nfs/dbraw/zinc/71/00/94/504710094.db2.gz JAEAEKONLMIJPW-UHFFFAOYSA-N 1 2 361.873 3.089 20 30 FGEDLO Cc1cc(Cl)c2ncc(C#N)c(N3CCN(Cc4[nH]cc[nH+]4)CC3)c2c1 ZINC000549257022 504774759 /nfs/dbraw/zinc/77/47/59/504774759.db2.gz UWMQVSBXMAXJJC-UHFFFAOYSA-N 1 2 366.856 3.114 20 30 FGEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549271634 504778766 /nfs/dbraw/zinc/77/87/66/504778766.db2.gz NTCGANXREQJXSW-UHFFFAOYSA-N 1 2 355.486 3.427 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000559162742 504794998 /nfs/dbraw/zinc/79/49/98/504794998.db2.gz LMZIPKTWNIRJBL-GOSISDBHSA-N 1 2 369.490 3.421 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000559162742 504795002 /nfs/dbraw/zinc/79/50/02/504795002.db2.gz LMZIPKTWNIRJBL-GOSISDBHSA-N 1 2 369.490 3.421 20 30 FGEDLO CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000559268015 504814699 /nfs/dbraw/zinc/81/46/99/504814699.db2.gz UJTIKEPGDYHNNL-PKOBYXMFSA-N 1 2 359.470 3.197 20 30 FGEDLO CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000559268015 504814702 /nfs/dbraw/zinc/81/47/02/504814702.db2.gz UJTIKEPGDYHNNL-PKOBYXMFSA-N 1 2 359.470 3.197 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)C2 ZINC000565206678 504825411 /nfs/dbraw/zinc/82/54/11/504825411.db2.gz XMNYYFBSFNLACE-LBPRGKRZSA-N 1 2 358.392 3.104 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)CC2 ZINC000565206678 504825415 /nfs/dbraw/zinc/82/54/15/504825415.db2.gz XMNYYFBSFNLACE-LBPRGKRZSA-N 1 2 358.392 3.104 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(COc2ccc(F)cc2)c1 ZINC000565416637 504880668 /nfs/dbraw/zinc/88/06/68/504880668.db2.gz AIGMCXKALPUHKC-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(COc2ccc(F)cc2)c1 ZINC000565416637 504880671 /nfs/dbraw/zinc/88/06/71/504880671.db2.gz AIGMCXKALPUHKC-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000565752301 504977373 /nfs/dbraw/zinc/97/73/73/504977373.db2.gz IODVEXFFQLTPIK-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000556927455 505020163 /nfs/dbraw/zinc/02/01/63/505020163.db2.gz MPCYUTLJWDPGBM-KDOFPFPSSA-N 1 2 352.413 3.035 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000554077329 505082228 /nfs/dbraw/zinc/08/22/28/505082228.db2.gz VMICZONVDKZUSY-UHFFFAOYSA-N 1 2 373.412 3.471 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C2 ZINC000560448013 505088681 /nfs/dbraw/zinc/08/86/81/505088681.db2.gz BFWMFFBPEUPZEB-LLVKDONJSA-N 1 2 372.860 3.237 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1O ZINC000557483668 505147409 /nfs/dbraw/zinc/14/74/09/505147409.db2.gz SLNBOWNYUAGYIN-UHFFFAOYSA-N 1 2 370.412 3.474 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(F)cc1 ZINC000551413282 505220859 /nfs/dbraw/zinc/22/08/59/505220859.db2.gz UIDYTQZRATWISN-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(F)cc1 ZINC000551413282 505220865 /nfs/dbraw/zinc/22/08/65/505220865.db2.gz UIDYTQZRATWISN-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccccc3N3CCC(CO)CC3)n2c1 ZINC000551556869 505252736 /nfs/dbraw/zinc/25/27/36/505252736.db2.gz ZITOHYWZHJFKGS-UHFFFAOYSA-N 1 2 361.449 3.027 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000561139431 505260729 /nfs/dbraw/zinc/26/07/29/505260729.db2.gz GMTCHKOHFHFBHY-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1csc2ccccc12 ZINC000558165639 505324563 /nfs/dbraw/zinc/32/45/63/505324563.db2.gz HANHGHJQCYWUPB-UHFFFAOYSA-N 1 2 371.487 3.074 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1csc2ccccc12 ZINC000558165639 505324566 /nfs/dbraw/zinc/32/45/66/505324566.db2.gz HANHGHJQCYWUPB-UHFFFAOYSA-N 1 2 371.487 3.074 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000561440574 505346431 /nfs/dbraw/zinc/34/64/31/505346431.db2.gz FNVRALIVGJMHSS-UHFFFAOYSA-N 1 2 364.449 3.409 20 30 FGEDLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000564561890 505453459 /nfs/dbraw/zinc/45/34/59/505453459.db2.gz OVSUWWPWMANBII-AWEZNQCLSA-N 1 2 370.478 3.258 20 30 FGEDLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000564561890 505453462 /nfs/dbraw/zinc/45/34/62/505453462.db2.gz OVSUWWPWMANBII-AWEZNQCLSA-N 1 2 370.478 3.258 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000562199640 505538232 /nfs/dbraw/zinc/53/82/32/505538232.db2.gz TYHVIYPDLYPZRL-UHFFFAOYSA-N 1 2 365.477 3.132 20 30 FGEDLO Cc1cc(N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000564903244 505554565 /nfs/dbraw/zinc/55/45/65/505554565.db2.gz KTIGNRBIYYRNSO-QGZVFWFLSA-N 1 2 366.440 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115695 506402029 /nfs/dbraw/zinc/40/20/29/506402029.db2.gz DTYKITMQYKZFDE-QLJPJBMISA-N 1 2 351.422 3.167 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115695 506402037 /nfs/dbraw/zinc/40/20/37/506402037.db2.gz DTYKITMQYKZFDE-QLJPJBMISA-N 1 2 351.422 3.167 20 30 FGEDLO Cc1c(NC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)cccc1[N+](=O)[O-] ZINC000593120283 506405059 /nfs/dbraw/zinc/40/50/59/506405059.db2.gz NYADCPLKTMJPOL-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO Cc1c(NC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)cccc1[N+](=O)[O-] ZINC000593120283 506405064 /nfs/dbraw/zinc/40/50/64/506405064.db2.gz NYADCPLKTMJPOL-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000582809447 506429812 /nfs/dbraw/zinc/42/98/12/506429812.db2.gz VJZFUFKMHQFCRX-ZDUSSCGKSA-N 1 2 363.870 3.073 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000589165285 506465545 /nfs/dbraw/zinc/46/55/45/506465545.db2.gz MKZQFCPNNVZFCL-UHFFFAOYSA-N 1 2 356.451 3.349 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161933 506466661 /nfs/dbraw/zinc/46/66/61/506466661.db2.gz HEVQUFGOZKXJJE-QFBILLFUSA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161933 506466667 /nfs/dbraw/zinc/46/66/67/506466667.db2.gz HEVQUFGOZKXJJE-QFBILLFUSA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599459 506482389 /nfs/dbraw/zinc/48/23/89/506482389.db2.gz VEBRFSJWXSHWNW-LBPRGKRZSA-N 1 2 371.872 3.346 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599459 506482395 /nfs/dbraw/zinc/48/23/95/506482395.db2.gz VEBRFSJWXSHWNW-LBPRGKRZSA-N 1 2 371.872 3.346 20 30 FGEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CC3(C#N)CCC3)ccc2n1C1CC1 ZINC000589233979 506493746 /nfs/dbraw/zinc/49/37/46/506493746.db2.gz HSDUUKHSTIRRPO-UHFFFAOYSA-N 1 2 372.494 3.047 20 30 FGEDLO CC(C)(CC(F)(F)F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596656216 506515115 /nfs/dbraw/zinc/51/51/15/506515115.db2.gz FDTYWAVFOAIMCW-UHFFFAOYSA-N 1 2 353.388 3.181 20 30 FGEDLO N#CC1(CNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCCC1 ZINC000593303282 506525754 /nfs/dbraw/zinc/52/57/54/506525754.db2.gz RKLRPXKQPGPFCG-UHFFFAOYSA-N 1 2 355.486 3.345 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC000596695791 506543981 /nfs/dbraw/zinc/54/39/81/506543981.db2.gz BROMSGGFGLOLHH-QINHECLXSA-N 1 2 356.470 3.063 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589477541 506563624 /nfs/dbraw/zinc/56/36/24/506563624.db2.gz ATFAADWILLKFAU-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589477541 506563633 /nfs/dbraw/zinc/56/36/33/506563633.db2.gz ATFAADWILLKFAU-SJLPKXTDSA-N 1 2 372.831 3.311 20 30 FGEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678725 506574243 /nfs/dbraw/zinc/57/42/43/506574243.db2.gz XUFLLKYUDWVNFK-IBGZPJMESA-N 1 2 366.465 3.027 20 30 FGEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678725 506574248 /nfs/dbraw/zinc/57/42/48/506574248.db2.gz XUFLLKYUDWVNFK-IBGZPJMESA-N 1 2 366.465 3.027 20 30 FGEDLO Cc1ccc(CN(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)C2CC2)o1 ZINC000599679136 506574532 /nfs/dbraw/zinc/57/45/32/506574532.db2.gz PRRNNEBPNYBPSE-UHFFFAOYSA-N 1 2 363.461 3.203 20 30 FGEDLO Cc1ccc(CN(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)C2CC2)o1 ZINC000599679136 506574540 /nfs/dbraw/zinc/57/45/40/506574540.db2.gz PRRNNEBPNYBPSE-UHFFFAOYSA-N 1 2 363.461 3.203 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686767 506580914 /nfs/dbraw/zinc/58/09/14/506580914.db2.gz YETUDUSKRLYIHC-UHFFFAOYSA-N 1 2 369.852 3.411 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686767 506580918 /nfs/dbraw/zinc/58/09/18/506580918.db2.gz YETUDUSKRLYIHC-UHFFFAOYSA-N 1 2 369.852 3.411 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000603745866 506610009 /nfs/dbraw/zinc/61/00/09/506610009.db2.gz USNPKDSTYLVERX-UWVAXJGDSA-N 1 2 354.498 3.210 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H](C#N)CC ZINC000593450173 506626055 /nfs/dbraw/zinc/62/60/55/506626055.db2.gz GIJPDPFVNQRBDD-QGZVFWFLSA-N 1 2 354.454 3.250 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1C ZINC000589786570 506649390 /nfs/dbraw/zinc/64/93/90/506649390.db2.gz DOVUJOGANAVWIS-JOCHJYFZSA-N 1 2 374.488 3.103 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)Nc3ccn4cc[nH+]c4c3)CCOCC2)c1 ZINC000596886325 506655659 /nfs/dbraw/zinc/65/56/59/506655659.db2.gz FXPDTTVQJQXCRW-UHFFFAOYSA-N 1 2 361.405 3.033 20 30 FGEDLO CC[C@@H](C)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000599826765 506660642 /nfs/dbraw/zinc/66/06/42/506660642.db2.gz WRGHFIFMSXSBPR-QGZVFWFLSA-N 1 2 358.486 3.280 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC ZINC000593572665 506688624 /nfs/dbraw/zinc/68/86/24/506688624.db2.gz PRKYYOLZRDTXNU-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653011 506715627 /nfs/dbraw/zinc/71/56/27/506715627.db2.gz WAHGDQMCZVONLD-UHFFFAOYSA-N 1 2 352.438 3.223 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000609113235 506779145 /nfs/dbraw/zinc/77/91/45/506779145.db2.gz WCGUJJSYWVMJRN-OAQYLSRUSA-N 1 2 371.444 3.029 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)nc1 ZINC000600112217 506782332 /nfs/dbraw/zinc/78/23/32/506782332.db2.gz QBGUTPVUXFCKQT-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131841 506785572 /nfs/dbraw/zinc/78/55/72/506785572.db2.gz YMYPJNWJBGKFAA-IEBWSBKVSA-N 1 2 352.438 3.022 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1)[NH+]1CCOCC1 ZINC000597154402 506802635 /nfs/dbraw/zinc/80/26/35/506802635.db2.gz NKPDSNKKZSBVDJ-ZDUSSCGKSA-N 1 2 371.387 3.482 20 30 FGEDLO N#CCn1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc2ccccc21 ZINC000612991422 506853696 /nfs/dbraw/zinc/85/36/96/506853696.db2.gz MNCPQTQEQYSKLI-CRAIPNDOSA-N 1 2 363.421 3.141 20 30 FGEDLO N#CCn1c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc2ccccc21 ZINC000612991422 506853704 /nfs/dbraw/zinc/85/37/04/506853704.db2.gz MNCPQTQEQYSKLI-CRAIPNDOSA-N 1 2 363.421 3.141 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000593969499 506857098 /nfs/dbraw/zinc/85/70/98/506857098.db2.gz BAUVQUZOAOCMRV-CYBMUJFWSA-N 1 2 364.371 3.154 20 30 FGEDLO N#CCCCCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000593975719 506862266 /nfs/dbraw/zinc/86/22/66/506862266.db2.gz PYMIAIPUZYGVBU-UHFFFAOYSA-N 1 2 350.426 3.346 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000590601798 506876305 /nfs/dbraw/zinc/87/63/05/506876305.db2.gz QQAGTEJCPKZHJN-OAHLLOKOSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000590601798 506876311 /nfs/dbraw/zinc/87/63/11/506876311.db2.gz QQAGTEJCPKZHJN-OAHLLOKOSA-N 1 2 354.479 3.450 20 30 FGEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C1CCCCCC1 ZINC000594047911 506905277 /nfs/dbraw/zinc/90/52/77/506905277.db2.gz QDVIYLVRIFLJGN-FQEVSTJZSA-N 1 2 371.481 3.379 20 30 FGEDLO COc1ccc(-c2cc(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)on2)cc1 ZINC000609538150 506912405 /nfs/dbraw/zinc/91/24/05/506912405.db2.gz MOJIPBFAAPKJAQ-FQEVSTJZSA-N 1 2 354.454 3.016 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)NCCCCn3cc[nH+]c3)cc2)nc1 ZINC000609547818 506917686 /nfs/dbraw/zinc/91/76/86/506917686.db2.gz MEIKZBLWHMIGJP-UHFFFAOYSA-N 1 2 361.405 3.152 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609556427 506921374 /nfs/dbraw/zinc/92/13/74/506921374.db2.gz IQSVNUYGENVNDK-CYBMUJFWSA-N 1 2 361.352 3.225 20 30 FGEDLO COc1cc(OC)c(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)c(OC)c1 ZINC000609574958 506927940 /nfs/dbraw/zinc/92/79/40/506927940.db2.gz DNDFYULWGMPPKY-OAHLLOKOSA-N 1 2 357.454 3.335 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000609658713 506963730 /nfs/dbraw/zinc/96/37/30/506963730.db2.gz DDZUPONUBCORAC-NRFANRHFSA-N 1 2 359.473 3.323 20 30 FGEDLO COc1ccc([C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000609676934 506973135 /nfs/dbraw/zinc/97/31/35/506973135.db2.gz HMEAZNRPMZSLNE-FCHUYYIVSA-N 1 2 371.440 3.472 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000609893562 507041745 /nfs/dbraw/zinc/04/17/45/507041745.db2.gz ZNXIGFVWQCABKS-QAPCUYQASA-N 1 2 374.916 3.029 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000594347484 507088130 /nfs/dbraw/zinc/08/81/30/507088130.db2.gz BSKSGNIWMOECSZ-HUUCEWRRSA-N 1 2 362.355 3.131 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3Cc4ccc(C#N)cc4C3)cn2c1 ZINC000594410001 507120092 /nfs/dbraw/zinc/12/00/92/507120092.db2.gz YYHARYXIFBFRPU-UHFFFAOYSA-N 1 2 362.458 3.290 20 30 FGEDLO N#Cc1ccc(N2CCC(Nc3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000591144161 507130247 /nfs/dbraw/zinc/13/02/47/507130247.db2.gz NHLDNJGMQYCKHP-UHFFFAOYSA-N 1 2 374.404 3.491 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597940933 507188976 /nfs/dbraw/zinc/18/89/76/507188976.db2.gz MWSVKIWRXZDTGA-UHFFFAOYSA-N 1 2 366.490 3.103 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N[C@H]3CCCc4cc(C#N)ccc43)[nH+]c12 ZINC000591334554 507205348 /nfs/dbraw/zinc/20/53/48/507205348.db2.gz HSXVSVNBXXAFJT-FQEVSTJZSA-N 1 2 373.460 3.434 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc(C#N)c1 ZINC000610356222 507209860 /nfs/dbraw/zinc/20/98/60/507209860.db2.gz MBRQMENJMGATSG-SJORKVTESA-N 1 2 363.465 3.103 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCO[C@@H](c3ccccc3)C2)C1=O ZINC000610581910 507303329 /nfs/dbraw/zinc/30/33/29/507303329.db2.gz SODDSRSZDKXPKW-QZTJIDSGSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCO[C@@H](c3ccccc3)C2)C1=O ZINC000610581910 507303333 /nfs/dbraw/zinc/30/33/33/507303333.db2.gz SODDSRSZDKXPKW-QZTJIDSGSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1cccc(NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601240422 507307900 /nfs/dbraw/zinc/30/79/00/507307900.db2.gz HMBGSPZBWRFRQC-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614170899 507393441 /nfs/dbraw/zinc/39/34/41/507393441.db2.gz USBADYRFJXKUEJ-UHFFFAOYSA-N 1 2 352.482 3.410 20 30 FGEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000614359554 507477488 /nfs/dbraw/zinc/47/74/88/507477488.db2.gz DMTHSBAALVZSOO-UHFFFAOYSA-N 1 2 361.445 3.400 20 30 FGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595383250 507477982 /nfs/dbraw/zinc/47/79/82/507477982.db2.gz FAUPSDQLIFLNLW-SFHVURJKSA-N 1 2 362.351 3.364 20 30 FGEDLO COC(=O)[C@H](c1cc(F)c(F)c(F)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595383250 507477988 /nfs/dbraw/zinc/47/79/88/507477988.db2.gz FAUPSDQLIFLNLW-SFHVURJKSA-N 1 2 362.351 3.364 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(O)cc(C#N)c2)C[C@H](C)O1 ZINC000614364050 507479108 /nfs/dbraw/zinc/47/91/08/507479108.db2.gz QZNCXMUOWBQGNQ-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(O)cc(C#N)c2)C[C@H](C)O1 ZINC000614364050 507479116 /nfs/dbraw/zinc/47/91/16/507479116.db2.gz QZNCXMUOWBQGNQ-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC#N)C3)c[nH+]2)CC1 ZINC000595457390 507508287 /nfs/dbraw/zinc/50/82/87/507508287.db2.gz WUTDEYFNVZWQEU-QGZVFWFLSA-N 1 2 355.486 3.153 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000611089051 507511834 /nfs/dbraw/zinc/51/18/34/507511834.db2.gz NHIAQNHLCUOVOE-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000611089051 507511840 /nfs/dbraw/zinc/51/18/40/507511840.db2.gz NHIAQNHLCUOVOE-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598627984 507523034 /nfs/dbraw/zinc/52/30/34/507523034.db2.gz JTGZWTKXJAYHBI-AEFFLSMTSA-N 1 2 358.482 3.228 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598627984 507523041 /nfs/dbraw/zinc/52/30/41/507523041.db2.gz JTGZWTKXJAYHBI-AEFFLSMTSA-N 1 2 358.482 3.228 20 30 FGEDLO COc1cc(CN2CCn3c[nH+]cc3C2)ccc1OCc1cccc(C#N)c1 ZINC000595487975 507527100 /nfs/dbraw/zinc/52/71/00/507527100.db2.gz AJNRYQITCJXXKM-UHFFFAOYSA-N 1 2 374.444 3.358 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174753 507546386 /nfs/dbraw/zinc/54/63/86/507546386.db2.gz PUCHAEZEKZCCBL-SFHVURJKSA-N 1 2 362.477 3.212 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn4cccc(F)c4n3)CC2)c1 ZINC000611261434 507588466 /nfs/dbraw/zinc/58/84/66/507588466.db2.gz ARWWHADKIHGOCV-UHFFFAOYSA-N 1 2 350.397 3.388 20 30 FGEDLO N#C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000602097929 507591794 /nfs/dbraw/zinc/59/17/94/507591794.db2.gz QPAMQWMZNHVDFR-CHWSQXEVSA-N 1 2 356.735 3.411 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618193 507594448 /nfs/dbraw/zinc/59/44/48/507594448.db2.gz YQLKJCXGMKAVTL-CQSZACIVSA-N 1 2 363.483 3.106 20 30 FGEDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618193 507594451 /nfs/dbraw/zinc/59/44/51/507594451.db2.gz YQLKJCXGMKAVTL-CQSZACIVSA-N 1 2 363.483 3.106 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620710 507595404 /nfs/dbraw/zinc/59/54/04/507595404.db2.gz PEBYWYXHXOVZIW-GJZGRUSLSA-N 1 2 356.495 3.269 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620710 507595407 /nfs/dbraw/zinc/59/54/07/507595407.db2.gz PEBYWYXHXOVZIW-GJZGRUSLSA-N 1 2 356.495 3.269 20 30 FGEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](CC#N)C1)n2CC ZINC000595623956 507597192 /nfs/dbraw/zinc/59/71/92/507597192.db2.gz ZOEWSURPVDCGKL-HNNXBMFYSA-N 1 2 354.454 3.359 20 30 FGEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](CC#N)C1)n2CC ZINC000595623956 507597199 /nfs/dbraw/zinc/59/71/99/507597199.db2.gz ZOEWSURPVDCGKL-HNNXBMFYSA-N 1 2 354.454 3.359 20 30 FGEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634092 507603781 /nfs/dbraw/zinc/60/37/81/507603781.db2.gz XDTIHCCYMVXYHX-HNNXBMFYSA-N 1 2 354.479 3.077 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000595674185 507623183 /nfs/dbraw/zinc/62/31/83/507623183.db2.gz JKVQJSXCIGAKBB-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000595674185 507623187 /nfs/dbraw/zinc/62/31/87/507623187.db2.gz JKVQJSXCIGAKBB-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000595769212 507675896 /nfs/dbraw/zinc/67/58/96/507675896.db2.gz SXKXHHTZYVJNNC-IBGZPJMESA-N 1 2 355.463 3.230 20 30 FGEDLO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000595769212 507675901 /nfs/dbraw/zinc/67/59/01/507675901.db2.gz SXKXHHTZYVJNNC-IBGZPJMESA-N 1 2 355.463 3.230 20 30 FGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000595815173 507696762 /nfs/dbraw/zinc/69/67/62/507696762.db2.gz MCCUMKWYDAUSPA-OAHLLOKOSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000595815173 507696769 /nfs/dbraw/zinc/69/67/69/507696769.db2.gz MCCUMKWYDAUSPA-OAHLLOKOSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@@H](N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473596 507698023 /nfs/dbraw/zinc/69/80/23/507698023.db2.gz WRNWJZSCMFZAIS-VGOFRKELSA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@@H](N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473596 507698028 /nfs/dbraw/zinc/69/80/28/507698028.db2.gz WRNWJZSCMFZAIS-VGOFRKELSA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000595839388 507708748 /nfs/dbraw/zinc/70/87/48/507708748.db2.gz FMNVUZNHIWCEIU-GGAORHGYSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000595839388 507708751 /nfs/dbraw/zinc/70/87/51/507708751.db2.gz FMNVUZNHIWCEIU-GGAORHGYSA-N 1 2 359.473 3.396 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602436326 507711592 /nfs/dbraw/zinc/71/15/92/507711592.db2.gz NOLUSTWJJCKGLX-HNNXBMFYSA-N 1 2 363.490 3.442 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000611518784 507718099 /nfs/dbraw/zinc/71/80/99/507718099.db2.gz RHHFWLKDFSJSLW-LRDDRELGSA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000611518784 507718104 /nfs/dbraw/zinc/71/81/04/507718104.db2.gz RHHFWLKDFSJSLW-LRDDRELGSA-N 1 2 364.371 3.110 20 30 FGEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881614 568633752 /nfs/dbraw/zinc/63/37/52/568633752.db2.gz OGQWNXCYILGKON-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881614 568633756 /nfs/dbraw/zinc/63/37/56/568633756.db2.gz OGQWNXCYILGKON-QLXKLKPCSA-N 1 2 368.502 3.480 20 30 FGEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Cl)c1O ZINC000823915454 608582205 /nfs/dbraw/zinc/58/22/05/608582205.db2.gz YKKJDJWIALHMOH-UHFFFAOYSA-N 1 2 355.829 3.414 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Cl)c1O ZINC000823915454 608582206 /nfs/dbraw/zinc/58/22/06/608582206.db2.gz YKKJDJWIALHMOH-UHFFFAOYSA-N 1 2 355.829 3.414 20 30 FGEDLO C=C(C)CNC(=S)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000038411130 695756576 /nfs/dbraw/zinc/75/65/76/695756576.db2.gz GXGUFBIEVNJOBJ-UHFFFAOYSA-N 1 2 357.445 3.274 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(C#N)cs3)CC2)cc1 ZINC000084113916 700354105 /nfs/dbraw/zinc/35/41/05/700354105.db2.gz CCMFEGTURWETNL-UHFFFAOYSA-N 1 2 354.479 3.085 20 30 FGEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000157790507 705164052 /nfs/dbraw/zinc/16/40/52/705164052.db2.gz KRRGXVJQPYDQMF-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO CC(=O)N(c1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cs1)C1CC1 ZINC000618741103 714773347 /nfs/dbraw/zinc/77/33/47/714773347.db2.gz AEAAMCVCGKCRFG-SFHVURJKSA-N 1 2 352.463 3.307 20 30 FGEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)C)CC1 ZINC000802662352 724398860 /nfs/dbraw/zinc/39/88/60/724398860.db2.gz OBNLSXYRVBXOQV-UHFFFAOYSA-N 1 2 357.889 3.010 20 30 FGEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000757833986 722980217 /nfs/dbraw/zinc/98/02/17/722980217.db2.gz HCQKQZLTFMKAQV-UHFFFAOYSA-N 1 2 354.372 3.033 20 30 FGEDLO CCOc1cc(C=NNc2[nH+]ccn2C)cc(Br)c1OC ZINC000790300371 723124651 /nfs/dbraw/zinc/12/46/51/723124651.db2.gz VXBUNAXGYCUPPR-UHFFFAOYSA-N 1 2 353.220 3.036 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)COC ZINC000661243442 720213974 /nfs/dbraw/zinc/21/39/74/720213974.db2.gz KDZJNOHKKGQSHQ-LLVKDONJSA-N 1 2 359.239 3.050 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)COC ZINC000661243442 720213976 /nfs/dbraw/zinc/21/39/76/720213976.db2.gz KDZJNOHKKGQSHQ-LLVKDONJSA-N 1 2 359.239 3.050 20 30 FGEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949239 724711094 /nfs/dbraw/zinc/71/10/94/724711094.db2.gz RQCJVNCMWPNCHO-UHFFFAOYSA-N 1 2 360.211 3.166 20 30 FGEDLO O=C1c2cc3c(cc2OC/C1=C/c1cc(-n2cc[nH+]c2)cs1)OCO3 ZINC000783708510 724780230 /nfs/dbraw/zinc/78/02/30/724780230.db2.gz RPCBSFNTGBKBSV-JYOAFUTRSA-N 1 2 352.371 3.321 20 30 FGEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000734685326 722509171 /nfs/dbraw/zinc/50/91/71/722509171.db2.gz ZMFYFDHPAZJUOU-GOSISDBHSA-N 1 2 356.495 3.288 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000743689818 722570495 /nfs/dbraw/zinc/57/04/95/722570495.db2.gz AKZWPYUCEHJYIV-MRXNPFEDSA-N 1 2 351.853 3.156 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000743689818 722570496 /nfs/dbraw/zinc/57/04/96/722570496.db2.gz AKZWPYUCEHJYIV-MRXNPFEDSA-N 1 2 351.853 3.156 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799234 722741673 /nfs/dbraw/zinc/74/16/73/722741673.db2.gz VECKDIXQKOEVCV-GJZGRUSLSA-N 1 2 360.483 3.176 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799234 722741674 /nfs/dbraw/zinc/74/16/74/722741674.db2.gz VECKDIXQKOEVCV-GJZGRUSLSA-N 1 2 360.483 3.176 20 30 FGEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000749844475 722744436 /nfs/dbraw/zinc/74/44/36/722744436.db2.gz KZFONDFPJGKACE-LBPRGKRZSA-N 1 2 358.423 3.000 20 30 FGEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000749844475 722744439 /nfs/dbraw/zinc/74/44/39/722744439.db2.gz KZFONDFPJGKACE-LBPRGKRZSA-N 1 2 358.423 3.000 20 30 FGEDLO C#CCN(Cc1c[nH+]cn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000751480321 722809623 /nfs/dbraw/zinc/80/96/23/722809623.db2.gz UXIOPZKMLURAFL-MRXNPFEDSA-N 1 2 360.255 3.142 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000751528916 722811794 /nfs/dbraw/zinc/81/17/94/722811794.db2.gz MVFIPZWZXFAHKX-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000751528916 722811796 /nfs/dbraw/zinc/81/17/96/722811796.db2.gz MVFIPZWZXFAHKX-HNNXBMFYSA-N 1 2 357.479 3.010 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](CC)CN1C(C)=O ZINC000752091875 722844980 /nfs/dbraw/zinc/84/49/80/722844980.db2.gz KILTVARJWMRAII-ROUUACIJSA-N 1 2 363.889 3.464 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](CC)CN1C(C)=O ZINC000752091875 722844982 /nfs/dbraw/zinc/84/49/82/722844982.db2.gz KILTVARJWMRAII-ROUUACIJSA-N 1 2 363.889 3.464 20 30 FGEDLO CCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000756029023 722959941 /nfs/dbraw/zinc/95/99/41/722959941.db2.gz UXWQOICQWSEVSI-INIZCTEOSA-N 1 2 355.523 3.014 20 30 FGEDLO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000756029023 722959942 /nfs/dbraw/zinc/95/99/42/722959942.db2.gz UXWQOICQWSEVSI-INIZCTEOSA-N 1 2 355.523 3.014 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365102 723430551 /nfs/dbraw/zinc/43/05/51/723430551.db2.gz BXLVTMCKAXEOTM-UHFFFAOYSA-N 1 2 358.873 3.079 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000793365102 723430553 /nfs/dbraw/zinc/43/05/53/723430553.db2.gz BXLVTMCKAXEOTM-UHFFFAOYSA-N 1 2 358.873 3.079 20 30 FGEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)s1 ZINC000794696834 723541508 /nfs/dbraw/zinc/54/15/08/723541508.db2.gz BNRUMNAZWXGWIZ-GQCTYLIASA-N 1 2 357.357 3.220 20 30 FGEDLO C#CC[N@@H+](Cc1cnn(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766067346 723553787 /nfs/dbraw/zinc/55/37/87/723553787.db2.gz JCPYKLJWCQRKDZ-QGZVFWFLSA-N 1 2 374.282 3.450 20 30 FGEDLO C#CC[N@H+](Cc1cnn(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766067346 723553789 /nfs/dbraw/zinc/55/37/89/723553789.db2.gz JCPYKLJWCQRKDZ-QGZVFWFLSA-N 1 2 374.282 3.450 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000766317160 723567934 /nfs/dbraw/zinc/56/79/34/723567934.db2.gz AFXOQIGDQJZKNM-QZTJIDSGSA-N 1 2 365.905 3.318 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000766317160 723567935 /nfs/dbraw/zinc/56/79/35/723567935.db2.gz AFXOQIGDQJZKNM-QZTJIDSGSA-N 1 2 365.905 3.318 20 30 FGEDLO CCC1(CC)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000766991450 723602814 /nfs/dbraw/zinc/60/28/14/723602814.db2.gz XCVVKQIGPIDEFD-UHFFFAOYSA-N 1 2 356.495 3.028 20 30 FGEDLO CCC1(CC)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000766991450 723602816 /nfs/dbraw/zinc/60/28/16/723602816.db2.gz XCVVKQIGPIDEFD-UHFFFAOYSA-N 1 2 356.495 3.028 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768800694 723667541 /nfs/dbraw/zinc/66/75/41/723667541.db2.gz KPJIRODZDZEMDF-UHFFFAOYSA-N 1 2 358.829 3.105 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000769922200 723700941 /nfs/dbraw/zinc/70/09/41/723700941.db2.gz YQSFDVGJPDFNGS-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[C@@H]1CCSC1 ZINC000773983063 723845757 /nfs/dbraw/zinc/84/57/57/723845757.db2.gz FIMHZHBCWUNVIJ-NEPJUHHUSA-N 1 2 364.421 3.045 20 30 FGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)[C@@H]1CCSC1 ZINC000773983063 723845761 /nfs/dbraw/zinc/84/57/61/723845761.db2.gz FIMHZHBCWUNVIJ-NEPJUHHUSA-N 1 2 364.421 3.045 20 30 FGEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCCO1 ZINC000775340892 723983580 /nfs/dbraw/zinc/98/35/80/723983580.db2.gz JGXMGSFYELCTGO-GOEBONIOSA-N 1 2 360.255 3.110 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799192572 723997458 /nfs/dbraw/zinc/99/74/58/723997458.db2.gz ZYDVWJQNMZEOCG-OAHLLOKOSA-N 1 2 352.463 3.125 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799192572 723997459 /nfs/dbraw/zinc/99/74/59/723997459.db2.gz ZYDVWJQNMZEOCG-OAHLLOKOSA-N 1 2 352.463 3.125 20 30 FGEDLO CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776260770 724125004 /nfs/dbraw/zinc/12/50/04/724125004.db2.gz OSZBCNFCEUZCTB-UHFFFAOYSA-N 1 2 354.435 3.112 20 30 FGEDLO N#CC(C(=O)C1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)cs1 ZINC000805865871 725101236 /nfs/dbraw/zinc/10/12/36/725101236.db2.gz CSCRMMOIWYNTNM-INIZCTEOSA-N 1 2 352.463 3.256 20 30 FGEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3c(C)cc(Br)cn23)n(C)n1 ZINC000789158733 725111367 /nfs/dbraw/zinc/11/13/67/725111367.db2.gz GNNULEJEDNGLLY-SNAWJCMRSA-N 1 2 359.227 3.343 20 30 FGEDLO C(=NNC[C@H]1CCSC1)c1ccc(C=[NH+]NC[C@H]2CCSC2)cc1 ZINC000811657821 725375901 /nfs/dbraw/zinc/37/59/01/725375901.db2.gz AQJYVHFYZRHUOP-QZTJIDSGSA-N 1 2 362.568 3.040 20 30 FGEDLO C#C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000811963334 725386178 /nfs/dbraw/zinc/38/61/78/725386178.db2.gz LASDZYTXHUKSRG-MSOLQXFVSA-N 1 2 355.825 3.272 20 30 FGEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000812933900 726823814 /nfs/dbraw/zinc/82/38/14/726823814.db2.gz DBHBQWVJSSPQQP-GOSISDBHSA-N 1 2 357.454 3.089 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821798268 729117616 /nfs/dbraw/zinc/11/76/16/729117616.db2.gz YHVKARXTOMOGAH-FZMZJTMJSA-N 1 2 352.316 3.306 20 30 FGEDLO NC(=[NH+]OCc1nnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000842038254 730289258 /nfs/dbraw/zinc/28/92/58/730289258.db2.gz CRFXJEHOKFXUBQ-UHFFFAOYSA-N 1 2 353.245 3.015 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000842630108 730522281 /nfs/dbraw/zinc/52/22/81/730522281.db2.gz XGUJJSQXIBUFQV-INIZCTEOSA-N 1 2 356.495 3.413 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000842630108 730522282 /nfs/dbraw/zinc/52/22/82/730522282.db2.gz XGUJJSQXIBUFQV-INIZCTEOSA-N 1 2 356.495 3.413 20 30 FGEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425819 730619530 /nfs/dbraw/zinc/61/95/30/730619530.db2.gz WZMHQFGHPWFESL-QGZVFWFLSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425819 730619533 /nfs/dbraw/zinc/61/95/33/730619533.db2.gz WZMHQFGHPWFESL-QGZVFWFLSA-N 1 2 365.264 3.338 20 30 FGEDLO Cc1nn(-c2ccccc2Cl)cc1C=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000848406835 731161466 /nfs/dbraw/zinc/16/14/66/731161466.db2.gz IYDHEKOOHUYKAS-IYBDPMFKSA-N 1 2 356.861 3.028 20 30 FGEDLO CCN(CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)CC(F)(F)F ZINC000852331520 731570901 /nfs/dbraw/zinc/57/09/01/731570901.db2.gz KDWGOQPTLVWRGV-KRWDZBQOSA-N 1 2 354.420 3.213 20 30 FGEDLO CCN(CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)CC(F)(F)F ZINC000852331520 731570902 /nfs/dbraw/zinc/57/09/02/731570902.db2.gz KDWGOQPTLVWRGV-KRWDZBQOSA-N 1 2 354.420 3.213 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1F ZINC000852737510 731628144 /nfs/dbraw/zinc/62/81/44/731628144.db2.gz DYPRWNNOLDOWGS-HZPDHXFCSA-N 1 2 351.397 3.134 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1F ZINC000852737510 731628145 /nfs/dbraw/zinc/62/81/45/731628145.db2.gz DYPRWNNOLDOWGS-HZPDHXFCSA-N 1 2 351.397 3.134 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000852751059 731630037 /nfs/dbraw/zinc/63/00/37/731630037.db2.gz OALYKZLMCJORFI-UHFFFAOYSA-N 1 2 358.463 3.068 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000852751059 731630039 /nfs/dbraw/zinc/63/00/39/731630039.db2.gz OALYKZLMCJORFI-UHFFFAOYSA-N 1 2 358.463 3.068 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524559 731717659 /nfs/dbraw/zinc/71/76/59/731717659.db2.gz NQPFQSVRNSXSIS-JSGCOSHPSA-N 1 2 351.372 3.003 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000853524559 731717661 /nfs/dbraw/zinc/71/76/61/731717661.db2.gz NQPFQSVRNSXSIS-JSGCOSHPSA-N 1 2 351.372 3.003 20 30 FGEDLO CN(C)C(=S)NN=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863091724 732914510 /nfs/dbraw/zinc/91/45/10/732914510.db2.gz PBKLFJVPELSUGA-AWEZNQCLSA-N 1 2 369.332 3.008 20 30 FGEDLO CN(C)C(=S)NN=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863091724 732914513 /nfs/dbraw/zinc/91/45/13/732914513.db2.gz PBKLFJVPELSUGA-AWEZNQCLSA-N 1 2 369.332 3.008 20 30 FGEDLO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000886357377 739248748 /nfs/dbraw/zinc/24/87/48/739248748.db2.gz FZSQDVQKQNOWRT-AWEZNQCLSA-N 1 2 360.504 3.059 20 30 FGEDLO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000886357377 739248751 /nfs/dbraw/zinc/24/87/51/739248751.db2.gz FZSQDVQKQNOWRT-AWEZNQCLSA-N 1 2 360.504 3.059 20 30 FGEDLO C=C(Br)CNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000887951495 739449199 /nfs/dbraw/zinc/44/91/99/739449199.db2.gz FMYLUKMIPULRNP-JOCQHMNTSA-N 1 2 353.264 3.013 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000898312926 742773660 /nfs/dbraw/zinc/77/36/60/742773660.db2.gz PMWOGTKQYJTSPH-UHFFFAOYSA-N 1 2 350.394 3.387 20 30 FGEDLO Nc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c[nH+]1 ZINC000899361349 742911440 /nfs/dbraw/zinc/91/14/40/742911440.db2.gz UJVYDNZSJQAYSK-WZUFQYTHSA-N 1 2 356.447 3.276 20 30 FGEDLO CSc1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1C#N ZINC000899376163 742914482 /nfs/dbraw/zinc/91/44/82/742914482.db2.gz IYBZOWVXWSXXPE-AWEZNQCLSA-N 1 2 368.384 3.287 20 30 FGEDLO C/C(=C/C(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900636718 743141307 /nfs/dbraw/zinc/14/13/07/743141307.db2.gz MHSDGVRPTTTYAZ-KGAUPUERSA-N 1 2 359.495 3.298 20 30 FGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(N2CCOCC2)cc1Cl ZINC000903262237 743831470 /nfs/dbraw/zinc/83/14/70/743831470.db2.gz BQDKZQRXMAZKPS-LBPRGKRZSA-N 1 2 362.886 3.356 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)CC1(C)C ZINC000941039790 762171068 /nfs/dbraw/zinc/17/10/68/762171068.db2.gz UBJQJRSLQWWEQY-CFOGARKDSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C(Cl)=C\Cl)CC1(C)C ZINC000941039790 762171072 /nfs/dbraw/zinc/17/10/72/762171072.db2.gz UBJQJRSLQWWEQY-CFOGARKDSA-N 1 2 361.313 3.113 20 30 FGEDLO C#C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(Cl)cc1 ZINC000923221162 759085142 /nfs/dbraw/zinc/08/51/42/759085142.db2.gz XTTLAUVMEFLVQL-OAHLLOKOSA-N 1 2 362.886 3.032 20 30 FGEDLO N#Cc1ccc(SCC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000927095227 759890576 /nfs/dbraw/zinc/89/05/76/759890576.db2.gz XFDZQISMHOYNQL-UHFFFAOYSA-N 1 2 352.463 3.148 20 30 FGEDLO Cc1c[nH]nc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939447 761279189 /nfs/dbraw/zinc/27/91/89/761279189.db2.gz GNZSJKYUQWTRPF-OCAPTIKFSA-N 1 2 363.252 3.321 20 30 FGEDLO Cc1c[nH]nc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939447 761279194 /nfs/dbraw/zinc/27/91/94/761279194.db2.gz GNZSJKYUQWTRPF-OCAPTIKFSA-N 1 2 363.252 3.321 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)c(OC)c1 ZINC000933775666 761472142 /nfs/dbraw/zinc/47/21/42/761472142.db2.gz KYDURNCVFXZQPT-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c(OC)c1 ZINC000933775666 761472148 /nfs/dbraw/zinc/47/21/48/761472148.db2.gz KYDURNCVFXZQPT-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775912 761472433 /nfs/dbraw/zinc/47/24/33/761472433.db2.gz OPNPTNBKTLIZBZ-DYVFJYSZSA-N 1 2 355.463 3.080 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775912 761472438 /nfs/dbraw/zinc/47/24/38/761472438.db2.gz OPNPTNBKTLIZBZ-DYVFJYSZSA-N 1 2 355.463 3.080 20 30 FGEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000935414524 761867531 /nfs/dbraw/zinc/86/75/31/761867531.db2.gz XOLPKEBLHJGQJK-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C(Cl)=C/Cl ZINC000969037823 762850626 /nfs/dbraw/zinc/85/06/26/762850626.db2.gz MKOTWSKGGRRWCS-YFTAOEDBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000969037823 762850634 /nfs/dbraw/zinc/85/06/34/762850634.db2.gz MKOTWSKGGRRWCS-YFTAOEDBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C(Cl)=C\Cl ZINC000969037821 762850889 /nfs/dbraw/zinc/85/08/89/762850889.db2.gz MKOTWSKGGRRWCS-NWJGJRDGSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000969037821 762850898 /nfs/dbraw/zinc/85/08/98/762850898.db2.gz MKOTWSKGGRRWCS-NWJGJRDGSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001007923353 765628857 /nfs/dbraw/zinc/62/88/57/765628857.db2.gz XJFYPKCHRIGIFH-KNBMTAEXSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001007923353 765628863 /nfs/dbraw/zinc/62/88/63/765628863.db2.gz XJFYPKCHRIGIFH-KNBMTAEXSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001014469138 765783509 /nfs/dbraw/zinc/78/35/09/765783509.db2.gz KZUWQQZQNQFCAR-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001014469138 765783512 /nfs/dbraw/zinc/78/35/12/765783512.db2.gz KZUWQQZQNQFCAR-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001027970264 766107806 /nfs/dbraw/zinc/10/78/06/766107806.db2.gz JZDOHZBAQFYKHZ-BFHYXJOUSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001027970264 766107813 /nfs/dbraw/zinc/10/78/13/766107813.db2.gz JZDOHZBAQFYKHZ-BFHYXJOUSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001031988626 766190037 /nfs/dbraw/zinc/19/00/37/766190037.db2.gz GUFIUFFYDCSCQP-PBHICJAKSA-N 1 2 369.292 3.133 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001033085308 766203966 /nfs/dbraw/zinc/20/39/66/766203966.db2.gz RORPHCNREUIVQI-GUDVDZBRSA-N 1 2 362.901 3.092 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001033085308 766203969 /nfs/dbraw/zinc/20/39/69/766203969.db2.gz RORPHCNREUIVQI-GUDVDZBRSA-N 1 2 362.901 3.092 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038800762 766289716 /nfs/dbraw/zinc/28/97/16/766289716.db2.gz UZEIJRFFPITCDA-QYZOEREBSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038800762 766289721 /nfs/dbraw/zinc/28/97/21/766289721.db2.gz UZEIJRFFPITCDA-QYZOEREBSA-N 1 2 362.901 3.402 20 30 FGEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006794552 204270048 /nfs/dbraw/zinc/27/00/48/204270048.db2.gz WWVAFJRAZYOXRP-NSHDSACASA-N 1 2 351.328 3.370 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)NCC4(C#N)CC4)cc3)[nH+]c12 ZINC000571025569 505636025 /nfs/dbraw/zinc/63/60/25/505636025.db2.gz INRCFGFHKJVHJX-UHFFFAOYSA-N 1 2 360.417 3.255 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000571153134 505665851 /nfs/dbraw/zinc/66/58/51/505665851.db2.gz RCERYADHRKUAJG-WBVHZDCISA-N 1 2 369.490 3.231 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000571153134 505665853 /nfs/dbraw/zinc/66/58/53/505665853.db2.gz RCERYADHRKUAJG-WBVHZDCISA-N 1 2 369.490 3.231 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000048111709 493787134 /nfs/dbraw/zinc/78/71/34/493787134.db2.gz PQAVCJWIEOQRBK-UHFFFAOYSA-N 1 2 366.490 3.103 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(C#N)CC3)n2)cc1 ZINC000057875806 493811333 /nfs/dbraw/zinc/81/13/33/493811333.db2.gz RQGXGKPACJAYDY-CYBMUJFWSA-N 1 2 370.478 3.381 20 30 FGEDLO COc1cccc([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000029096953 493815961 /nfs/dbraw/zinc/81/59/61/493815961.db2.gz UDYAFSSKARZRBU-OAQYLSRUSA-N 1 2 374.444 3.139 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154400 493832963 /nfs/dbraw/zinc/83/29/63/493832963.db2.gz GNRUWOGSXZKBJJ-VXKWHMMOSA-N 1 2 359.473 3.343 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154400 493832967 /nfs/dbraw/zinc/83/29/67/493832967.db2.gz GNRUWOGSXZKBJJ-VXKWHMMOSA-N 1 2 359.473 3.343 20 30 FGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857280 493862979 /nfs/dbraw/zinc/86/29/79/493862979.db2.gz ZHWMHADEIXIYQH-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000068825771 493880390 /nfs/dbraw/zinc/88/03/90/493880390.db2.gz HPVPAQCSUXXAIL-INIZCTEOSA-N 1 2 353.422 3.460 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000068825771 493880394 /nfs/dbraw/zinc/88/03/94/493880394.db2.gz HPVPAQCSUXXAIL-INIZCTEOSA-N 1 2 353.422 3.460 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc2ccccc2c1 ZINC000574066030 505686575 /nfs/dbraw/zinc/68/65/75/505686575.db2.gz QFNZQUMMZZZWAH-UHFFFAOYSA-N 1 2 365.458 3.012 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc2ccccc2c1 ZINC000574066030 505686578 /nfs/dbraw/zinc/68/65/78/505686578.db2.gz QFNZQUMMZZZWAH-UHFFFAOYSA-N 1 2 365.458 3.012 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000059372234 493905803 /nfs/dbraw/zinc/90/58/03/493905803.db2.gz RVJMCAJROZPUSQ-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO COCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069072163 493915894 /nfs/dbraw/zinc/91/58/94/493915894.db2.gz HLZPECNIJWOCKF-RTWAWAEBSA-N 1 2 369.509 3.188 20 30 FGEDLO COCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 ZINC000069072163 493915897 /nfs/dbraw/zinc/91/58/97/493915897.db2.gz HLZPECNIJWOCKF-RTWAWAEBSA-N 1 2 369.509 3.188 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000069147206 493928051 /nfs/dbraw/zinc/92/80/51/493928051.db2.gz JOVWZFIXUKWRRG-UHFFFAOYSA-N 1 2 366.490 3.063 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007017585 493993869 /nfs/dbraw/zinc/99/38/69/493993869.db2.gz XNBOJRVYSJYQBK-BEFAXECRSA-N 1 2 356.495 3.488 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007017585 493993871 /nfs/dbraw/zinc/99/38/71/493993871.db2.gz XNBOJRVYSJYQBK-BEFAXECRSA-N 1 2 356.495 3.488 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1COC)Cc1cccc(C#N)c1 ZINC000063299852 494042057 /nfs/dbraw/zinc/04/20/57/494042057.db2.gz LYGVWUZURJVGSB-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1COC)Cc1cccc(C#N)c1 ZINC000063299852 494042060 /nfs/dbraw/zinc/04/20/60/494042060.db2.gz LYGVWUZURJVGSB-UHFFFAOYSA-N 1 2 363.461 3.009 20 30 FGEDLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)nc21 ZINC000052581241 494042361 /nfs/dbraw/zinc/04/23/61/494042361.db2.gz KBOVCYQZGZPSPX-UHFFFAOYSA-N 1 2 366.446 3.247 20 30 FGEDLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)nc21 ZINC000052581241 494042365 /nfs/dbraw/zinc/04/23/65/494042365.db2.gz KBOVCYQZGZPSPX-UHFFFAOYSA-N 1 2 366.446 3.247 20 30 FGEDLO CN(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000052580686 494043004 /nfs/dbraw/zinc/04/30/04/494043004.db2.gz BEYINAMUZLYFTR-UHFFFAOYSA-N 1 2 350.447 3.263 20 30 FGEDLO CN(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000052580686 494043007 /nfs/dbraw/zinc/04/30/07/494043007.db2.gz BEYINAMUZLYFTR-UHFFFAOYSA-N 1 2 350.447 3.263 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063388241 494049779 /nfs/dbraw/zinc/04/97/79/494049779.db2.gz PKYJWXDISMJOKT-UHFFFAOYSA-N 1 2 351.425 3.344 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063388241 494049784 /nfs/dbraw/zinc/04/97/84/494049784.db2.gz PKYJWXDISMJOKT-UHFFFAOYSA-N 1 2 351.425 3.344 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000064249196 494109499 /nfs/dbraw/zinc/10/94/99/494109499.db2.gz IRJURKBGDUUFNT-CHWSQXEVSA-N 1 2 357.376 3.244 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@H](C)C#N ZINC000064249196 494109503 /nfs/dbraw/zinc/10/95/03/494109503.db2.gz IRJURKBGDUUFNT-CHWSQXEVSA-N 1 2 357.376 3.244 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)cc1 ZINC000039527552 494121927 /nfs/dbraw/zinc/12/19/27/494121927.db2.gz KNRFXHSQOAFTAN-UHFFFAOYSA-N 1 2 359.473 3.324 20 30 FGEDLO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000053607918 494151521 /nfs/dbraw/zinc/15/15/21/494151521.db2.gz IDCZXQBLNOGCFP-UHFFFAOYSA-N 1 2 362.458 3.413 20 30 FGEDLO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000053607918 494151525 /nfs/dbraw/zinc/15/15/25/494151525.db2.gz IDCZXQBLNOGCFP-UHFFFAOYSA-N 1 2 362.458 3.413 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000072760519 494245533 /nfs/dbraw/zinc/24/55/33/494245533.db2.gz ZVMSVBKWIQXRQL-MRXNPFEDSA-N 1 2 355.463 3.097 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000072760519 494245536 /nfs/dbraw/zinc/24/55/36/494245536.db2.gz ZVMSVBKWIQXRQL-MRXNPFEDSA-N 1 2 355.463 3.097 20 30 FGEDLO CCCc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000042830169 494246813 /nfs/dbraw/zinc/24/68/13/494246813.db2.gz SHHVTRJRZFUNSG-UHFFFAOYSA-N 1 2 368.506 3.234 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000043042279 494259373 /nfs/dbraw/zinc/25/93/73/494259373.db2.gz UJGHXRNZZPSHTO-MRXNPFEDSA-N 1 2 360.417 3.152 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)cc1 ZINC000043649014 494310068 /nfs/dbraw/zinc/31/00/68/494310068.db2.gz YKBUBOBOTWDCBC-UHFFFAOYSA-N 1 2 367.478 3.242 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043755395 494316909 /nfs/dbraw/zinc/31/69/09/494316909.db2.gz UZUYRYUKTVSJFA-AWEZNQCLSA-N 1 2 370.478 3.407 20 30 FGEDLO Cn1c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000089642366 494337178 /nfs/dbraw/zinc/33/71/78/494337178.db2.gz DHNLLRPCBDWUOU-UHFFFAOYSA-N 1 2 352.419 3.123 20 30 FGEDLO C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000079026144 494395016 /nfs/dbraw/zinc/39/50/16/494395016.db2.gz RCLOMYAOPAUQHG-MRXNPFEDSA-N 1 2 359.433 3.363 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 ZINC000017843265 494418333 /nfs/dbraw/zinc/41/83/33/494418333.db2.gz UWESIVIYCRSSOK-UHFFFAOYSA-N 1 2 371.440 3.375 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC(=O)OC(C)(C)C)c1C#N ZINC000091072061 494523165 /nfs/dbraw/zinc/52/31/65/494523165.db2.gz ZAVMISRIPSZBNF-UHFFFAOYSA-N 1 2 354.454 3.216 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1C#N ZINC000091072061 494523169 /nfs/dbraw/zinc/52/31/69/494523169.db2.gz ZAVMISRIPSZBNF-UHFFFAOYSA-N 1 2 354.454 3.216 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c(F)c1 ZINC000022817411 494537673 /nfs/dbraw/zinc/53/76/73/494537673.db2.gz DLWQOHOXDMSSGX-UHFFFAOYSA-N 1 2 352.388 3.026 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000121394578 494734629 /nfs/dbraw/zinc/73/46/29/494734629.db2.gz PPGDOPYYOSDZSH-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO Cc1cccc(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000075594089 494800424 /nfs/dbraw/zinc/80/04/24/494800424.db2.gz VKTNIXMDLNWOCO-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000093056163 494818077 /nfs/dbraw/zinc/81/80/77/494818077.db2.gz FXYGEKPJCMUKFI-UHFFFAOYSA-N 1 2 353.466 3.011 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)cc(OC)c1O ZINC000093055978 494818461 /nfs/dbraw/zinc/81/84/61/494818461.db2.gz MHWYISLFLDUAIS-UHFFFAOYSA-N 1 2 371.481 3.052 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000121727161 494846547 /nfs/dbraw/zinc/84/65/47/494846547.db2.gz KAWNBCLTZAQSKW-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000121727161 494846550 /nfs/dbraw/zinc/84/65/50/494846550.db2.gz KAWNBCLTZAQSKW-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000126953868 494867847 /nfs/dbraw/zinc/86/78/47/494867847.db2.gz AOYOKSWWNSNIDZ-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093332660 494872804 /nfs/dbraw/zinc/87/28/04/494872804.db2.gz MXRWRRRISWXMEU-IFXJQAMLSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1C#N ZINC000093332660 494872807 /nfs/dbraw/zinc/87/28/07/494872807.db2.gz MXRWRRRISWXMEU-IFXJQAMLSA-N 1 2 372.513 3.123 20 30 FGEDLO CCCCc1noc([C@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000122220954 494942564 /nfs/dbraw/zinc/94/25/64/494942564.db2.gz SCIKOCUHWUSOBF-AWEZNQCLSA-N 1 2 372.473 3.196 20 30 FGEDLO N#CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000117787407 494956440 /nfs/dbraw/zinc/95/64/40/494956440.db2.gz BTXCWCBJXPFYPL-UHFFFAOYSA-N 1 2 374.400 3.204 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133157043 494978545 /nfs/dbraw/zinc/97/85/45/494978545.db2.gz SRFMOONDUPEXLK-KXBFYZLASA-N 1 2 363.889 3.238 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133157043 494978549 /nfs/dbraw/zinc/97/85/49/494978549.db2.gz SRFMOONDUPEXLK-KXBFYZLASA-N 1 2 363.889 3.238 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000122534405 494990543 /nfs/dbraw/zinc/99/05/43/494990543.db2.gz RKTFEUAJRFSYAC-IBGZPJMESA-N 1 2 351.450 3.087 20 30 FGEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000122534405 494990545 /nfs/dbraw/zinc/99/05/45/494990545.db2.gz RKTFEUAJRFSYAC-IBGZPJMESA-N 1 2 351.450 3.087 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000098136714 495060330 /nfs/dbraw/zinc/06/03/30/495060330.db2.gz DPEJNVPMFQWLJR-QGZVFWFLSA-N 1 2 373.840 3.424 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000098136714 495060334 /nfs/dbraw/zinc/06/03/34/495060334.db2.gz DPEJNVPMFQWLJR-QGZVFWFLSA-N 1 2 373.840 3.424 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000577646016 505770442 /nfs/dbraw/zinc/77/04/42/505770442.db2.gz CJUWZYZXDAPTDD-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120240567 495334052 /nfs/dbraw/zinc/33/40/52/495334052.db2.gz ZVMHIOZTRXJVQU-UHFFFAOYSA-N 1 2 350.875 3.299 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cc(Cl)cn2C)c(C#N)c1C ZINC000120240567 495334058 /nfs/dbraw/zinc/33/40/58/495334058.db2.gz ZVMHIOZTRXJVQU-UHFFFAOYSA-N 1 2 350.875 3.299 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000124916943 495364129 /nfs/dbraw/zinc/36/41/29/495364129.db2.gz SOPPFGQPOHZPPC-MOPGFXCFSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000124916943 495364130 /nfs/dbraw/zinc/36/41/30/495364130.db2.gz SOPPFGQPOHZPPC-MOPGFXCFSA-N 1 2 370.403 3.081 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1C ZINC000125083154 495387608 /nfs/dbraw/zinc/38/76/08/495387608.db2.gz HLSJBZCFLVRMME-AWEZNQCLSA-N 1 2 371.412 3.269 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120751394 495450457 /nfs/dbraw/zinc/45/04/57/495450457.db2.gz CRSZABGIIOJLLD-INIZCTEOSA-N 1 2 368.437 3.203 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130825140 495451996 /nfs/dbraw/zinc/45/19/96/495451996.db2.gz CILBWKOUXUJOMB-UHFFFAOYSA-N 1 2 373.416 3.337 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000130840348 495454619 /nfs/dbraw/zinc/45/46/19/495454619.db2.gz QVIKCHIIHCUGAQ-QGZVFWFLSA-N 1 2 359.470 3.248 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000130840348 495454623 /nfs/dbraw/zinc/45/46/23/495454623.db2.gz QVIKCHIIHCUGAQ-QGZVFWFLSA-N 1 2 359.470 3.248 20 30 FGEDLO CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000139407807 495477630 /nfs/dbraw/zinc/47/76/30/495477630.db2.gz QMHPWKHMXRTMPX-UXHICEINSA-N 1 2 351.494 3.441 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000115561330 495517721 /nfs/dbraw/zinc/51/77/21/495517721.db2.gz OKWMPBDVOFKPIS-SFHVURJKSA-N 1 2 357.523 3.461 20 30 FGEDLO CN(C(=O)C[N@H+]1CCSC[C@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000115561330 495517722 /nfs/dbraw/zinc/51/77/22/495517722.db2.gz OKWMPBDVOFKPIS-SFHVURJKSA-N 1 2 357.523 3.461 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170645275 495544606 /nfs/dbraw/zinc/54/46/06/495544606.db2.gz NTUVXOHKOWATJT-MRXNPFEDSA-N 1 2 364.449 3.236 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170645275 495544612 /nfs/dbraw/zinc/54/46/12/495544612.db2.gz NTUVXOHKOWATJT-MRXNPFEDSA-N 1 2 364.449 3.236 20 30 FGEDLO N#Cc1ccccc1N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000170646431 495544716 /nfs/dbraw/zinc/54/47/16/495544716.db2.gz ZSPVGZPNNZEQAJ-UHFFFAOYSA-N 1 2 357.461 3.125 20 30 FGEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000170646463 495545552 /nfs/dbraw/zinc/54/55/52/495545552.db2.gz XLIYCKCIBGALOU-QGZVFWFLSA-N 1 2 362.477 3.270 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000176216034 495549231 /nfs/dbraw/zinc/54/92/31/495549231.db2.gz UVRQJUHWMSABFM-OAQYLSRUSA-N 1 2 366.486 3.484 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000176216034 495549239 /nfs/dbraw/zinc/54/92/39/495549239.db2.gz UVRQJUHWMSABFM-OAQYLSRUSA-N 1 2 366.486 3.484 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344210 495552232 /nfs/dbraw/zinc/55/22/32/495552232.db2.gz QTYDWGFVYKICQI-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344210 495552235 /nfs/dbraw/zinc/55/22/35/495552235.db2.gz QTYDWGFVYKICQI-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000179630217 495668545 /nfs/dbraw/zinc/66/85/45/495668545.db2.gz QHTQTCLMTSVYPB-MRXNPFEDSA-N 1 2 366.440 3.015 20 30 FGEDLO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C2CC2)no1 ZINC000179821241 495748925 /nfs/dbraw/zinc/74/89/25/495748925.db2.gz PUTXMHDDJGKZEW-INIZCTEOSA-N 1 2 373.844 3.397 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)nc1 ZINC000179987755 495812509 /nfs/dbraw/zinc/81/25/09/495812509.db2.gz MYMRQEUFAUNLJM-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180043148 495833598 /nfs/dbraw/zinc/83/35/98/495833598.db2.gz JNKDDQUPOSQEPF-OAHLLOKOSA-N 1 2 365.437 3.294 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186067394 495843394 /nfs/dbraw/zinc/84/33/94/495843394.db2.gz PJOGZYVOJYPRFA-AZUAARDMSA-N 1 2 369.509 3.051 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186067394 495843397 /nfs/dbraw/zinc/84/33/97/495843397.db2.gz PJOGZYVOJYPRFA-AZUAARDMSA-N 1 2 369.509 3.051 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176996529 495877001 /nfs/dbraw/zinc/87/70/01/495877001.db2.gz CJCOMKRLONMZGP-UHFFFAOYSA-N 1 2 370.378 3.146 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000155266097 495896712 /nfs/dbraw/zinc/89/67/12/495896712.db2.gz GIGDEQVCRMSCTI-LJQANCHMSA-N 1 2 369.538 3.372 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000171616124 495950016 /nfs/dbraw/zinc/95/00/16/495950016.db2.gz COTZFUXCNLNOLG-OAQYLSRUSA-N 1 2 356.429 3.203 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000171616124 495950022 /nfs/dbraw/zinc/95/00/22/495950022.db2.gz COTZFUXCNLNOLG-OAQYLSRUSA-N 1 2 356.429 3.203 20 30 FGEDLO COc1ccccc1C[N@H+](CCO)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000160485294 495974119 /nfs/dbraw/zinc/97/41/19/495974119.db2.gz VCUYRCBZYMDFIM-UHFFFAOYSA-N 1 2 363.417 3.216 20 30 FGEDLO COc1ccccc1C[N@@H+](CCO)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000160485294 495974127 /nfs/dbraw/zinc/97/41/27/495974127.db2.gz VCUYRCBZYMDFIM-UHFFFAOYSA-N 1 2 363.417 3.216 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000155595019 496006302 /nfs/dbraw/zinc/00/63/02/496006302.db2.gz RZIQDJXZLPCHBV-ZDUSSCGKSA-N 1 2 361.371 3.078 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000155595019 496006308 /nfs/dbraw/zinc/00/63/08/496006308.db2.gz RZIQDJXZLPCHBV-ZDUSSCGKSA-N 1 2 361.371 3.078 20 30 FGEDLO N#Cc1ccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000171802017 496041988 /nfs/dbraw/zinc/04/19/88/496041988.db2.gz LVWGLQRQJMMLIU-UHFFFAOYSA-N 1 2 360.417 3.031 20 30 FGEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ncc(C(C)(C)C)o3)cn2)n1 ZINC000152243732 496091728 /nfs/dbraw/zinc/09/17/28/496091728.db2.gz DSUGPROOMYKKLZ-UHFFFAOYSA-N 1 2 368.441 3.007 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000161298592 496146139 /nfs/dbraw/zinc/14/61/39/496146139.db2.gz NWSDBEZMKWGTHA-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000161298592 496146144 /nfs/dbraw/zinc/14/61/44/496146144.db2.gz NWSDBEZMKWGTHA-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000183937329 496167952 /nfs/dbraw/zinc/16/79/52/496167952.db2.gz KIMPMOCQLBJPIR-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187014171 496252177 /nfs/dbraw/zinc/25/21/77/496252177.db2.gz QGFRDXVFEUQPPA-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187014171 496252181 /nfs/dbraw/zinc/25/21/81/496252181.db2.gz QGFRDXVFEUQPPA-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000161872222 496253858 /nfs/dbraw/zinc/25/38/58/496253858.db2.gz JDXICWOYZXIOKQ-MRXNPFEDSA-N 1 2 358.423 3.013 20 30 FGEDLO CC(C)n1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000172330978 496257141 /nfs/dbraw/zinc/25/71/41/496257141.db2.gz UFMWNABGQVAZKG-UHFFFAOYSA-N 1 2 365.437 3.275 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccco1 ZINC000184145742 496258257 /nfs/dbraw/zinc/25/82/57/496258257.db2.gz OYAHZEXPQZAFMB-MAUKXSAKSA-N 1 2 355.438 3.482 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccco1 ZINC000184178130 496274146 /nfs/dbraw/zinc/27/41/46/496274146.db2.gz ICRSPVKXYMGQOH-DLBZAZTESA-N 1 2 361.486 3.314 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571878232 505835966 /nfs/dbraw/zinc/83/59/66/505835966.db2.gz RYYXCVJPMZBTFM-QGTPRVQTSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571878232 505835968 /nfs/dbraw/zinc/83/59/68/505835968.db2.gz RYYXCVJPMZBTFM-QGTPRVQTSA-N 1 2 372.465 3.072 20 30 FGEDLO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187159488 496318534 /nfs/dbraw/zinc/31/85/34/496318534.db2.gz HLOILNDFPRSJEJ-UHFFFAOYSA-N 1 2 355.482 3.058 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000569038849 505835538 /nfs/dbraw/zinc/83/55/38/505835538.db2.gz JOTYIBPZIJDMRV-UHFFFAOYSA-N 1 2 365.485 3.233 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000569038849 505835540 /nfs/dbraw/zinc/83/55/40/505835540.db2.gz JOTYIBPZIJDMRV-UHFFFAOYSA-N 1 2 365.485 3.233 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)c(F)c1 ZINC000181416431 496387260 /nfs/dbraw/zinc/38/72/60/496387260.db2.gz OWYKSLCXMXDEDO-KRWDZBQOSA-N 1 2 370.359 3.364 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175474625 496406461 /nfs/dbraw/zinc/40/64/61/496406461.db2.gz YPKLFAARALNVKR-UHFFFAOYSA-N 1 2 371.441 3.345 20 30 FGEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000178415495 496447930 /nfs/dbraw/zinc/44/79/30/496447930.db2.gz BSHOYXSQOHICEZ-NSHDSACASA-N 1 2 352.822 3.240 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C)o1 ZINC000184646664 496478113 /nfs/dbraw/zinc/47/81/13/496478113.db2.gz ZVBFKLUYYJXSCK-SWLSCSKDSA-N 1 2 373.478 3.314 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000178532929 496489627 /nfs/dbraw/zinc/48/96/27/496489627.db2.gz ZBGZNKBSOZJBOU-QGZVFWFLSA-N 1 2 370.478 3.123 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163436088 496515344 /nfs/dbraw/zinc/51/53/44/496515344.db2.gz URNKMMPRJHPDQR-GOSISDBHSA-N 1 2 357.498 3.153 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000163436088 496515347 /nfs/dbraw/zinc/51/53/47/496515347.db2.gz URNKMMPRJHPDQR-GOSISDBHSA-N 1 2 357.498 3.153 20 30 FGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)c1ccccc1 ZINC000153696610 496549063 /nfs/dbraw/zinc/54/90/63/496549063.db2.gz VRVVFMRLKINKKK-GOSISDBHSA-N 1 2 353.466 3.296 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1csc(CC(=O)NC)n1)c1ccc(F)c(F)c1 ZINC000187755375 496559184 /nfs/dbraw/zinc/55/91/84/496559184.db2.gz IYZPPFKULKVONM-KRWDZBQOSA-N 1 2 351.422 3.117 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCCOCC)C1 ZINC000157828723 496565103 /nfs/dbraw/zinc/56/51/03/496565103.db2.gz INGWDRSNGUNMTB-INIZCTEOSA-N 1 2 364.511 3.031 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCCOCC)C1 ZINC000157828723 496565111 /nfs/dbraw/zinc/56/51/11/496565111.db2.gz INGWDRSNGUNMTB-INIZCTEOSA-N 1 2 364.511 3.031 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1C ZINC000178792888 496573096 /nfs/dbraw/zinc/57/30/96/496573096.db2.gz PCTKBGFHQMMQNH-VWLOTQADSA-N 1 2 358.507 3.343 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1C ZINC000178792888 496573100 /nfs/dbraw/zinc/57/31/00/496573100.db2.gz PCTKBGFHQMMQNH-VWLOTQADSA-N 1 2 358.507 3.343 20 30 FGEDLO C=C[C@H](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC000153856351 496603820 /nfs/dbraw/zinc/60/38/20/496603820.db2.gz YNFMXIOFCVQVMM-IEBWSBKVSA-N 1 2 365.477 3.283 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175951159 496614813 /nfs/dbraw/zinc/61/48/13/496614813.db2.gz HNVSIOGGYMVEJH-SFHVURJKSA-N 1 2 358.392 3.074 20 30 FGEDLO CC(C)Oc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000187915246 496617836 /nfs/dbraw/zinc/61/78/36/496617836.db2.gz QJLFQVSVZQPBMW-UHFFFAOYSA-N 1 2 365.905 3.175 20 30 FGEDLO N#CCSc1cccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000175998444 496637318 /nfs/dbraw/zinc/63/73/18/496637318.db2.gz PNLPPDWIOCDUHF-UHFFFAOYSA-N 1 2 352.463 3.227 20 30 FGEDLO N#CCCCOc1cccc(CNc2ccc[nH+]c2N2CCOCC2)c1 ZINC000158171537 496642614 /nfs/dbraw/zinc/64/26/14/496642614.db2.gz YQAUZBAWFRJHHD-UHFFFAOYSA-N 1 2 352.438 3.213 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3OC)n2)c1 ZINC000185111073 496663794 /nfs/dbraw/zinc/66/37/94/496663794.db2.gz VHZGEWPQCLQFAI-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000188058426 496666622 /nfs/dbraw/zinc/66/66/22/496666622.db2.gz AQWZVZKEUHQTPH-OAHLLOKOSA-N 1 2 357.903 3.302 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000188058426 496666626 /nfs/dbraw/zinc/66/66/26/496666626.db2.gz AQWZVZKEUHQTPH-OAHLLOKOSA-N 1 2 357.903 3.302 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000185173472 496690686 /nfs/dbraw/zinc/69/06/86/496690686.db2.gz XEHFZHOVCZEPHX-JTQLQIEISA-N 1 2 361.833 3.181 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000179183438 496704249 /nfs/dbraw/zinc/70/42/49/496704249.db2.gz XTZNHIOUCNVJQT-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000179183438 496704254 /nfs/dbraw/zinc/70/42/54/496704254.db2.gz XTZNHIOUCNVJQT-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(C)c1 ZINC000188247547 496722973 /nfs/dbraw/zinc/72/29/73/496722973.db2.gz TWGSQPSSRWOCKN-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(C)c1 ZINC000188247547 496722976 /nfs/dbraw/zinc/72/29/76/496722976.db2.gz TWGSQPSSRWOCKN-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccc(C)c1 ZINC000188247280 496723001 /nfs/dbraw/zinc/72/30/01/496723001.db2.gz VEGKNTXKQYKFHG-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccc(C)c1 ZINC000188247280 496723004 /nfs/dbraw/zinc/72/30/04/496723004.db2.gz VEGKNTXKQYKFHG-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C1CC1 ZINC000268602563 496744984 /nfs/dbraw/zinc/74/49/84/496744984.db2.gz VEBYCDQYQZJQLH-WOJBJXKFSA-N 1 2 368.868 3.222 20 30 FGEDLO C=CCCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000263957100 496773968 /nfs/dbraw/zinc/77/39/68/496773968.db2.gz COHVUAIAFHRMBR-INIZCTEOSA-N 1 2 356.388 3.161 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194976666 496779499 /nfs/dbraw/zinc/77/94/99/496779499.db2.gz OPSTWVFQQQZIQU-SJCJKPOMSA-N 1 2 364.287 3.250 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194976666 496779501 /nfs/dbraw/zinc/77/95/01/496779501.db2.gz OPSTWVFQQQZIQU-SJCJKPOMSA-N 1 2 364.287 3.250 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273763431 496899108 /nfs/dbraw/zinc/89/91/08/496899108.db2.gz YKGKCNRBTPUDDN-HUUCEWRRSA-N 1 2 371.510 3.449 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277882654 496920651 /nfs/dbraw/zinc/92/06/51/496920651.db2.gz SNBROKMAOGHXKD-ZWKOTPCHSA-N 1 2 351.454 3.285 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277882654 496920654 /nfs/dbraw/zinc/92/06/54/496920654.db2.gz SNBROKMAOGHXKD-ZWKOTPCHSA-N 1 2 351.454 3.285 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277882649 496920725 /nfs/dbraw/zinc/92/07/25/496920725.db2.gz SNBROKMAOGHXKD-ROUUACIJSA-N 1 2 351.454 3.285 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277882649 496920726 /nfs/dbraw/zinc/92/07/26/496920726.db2.gz SNBROKMAOGHXKD-ROUUACIJSA-N 1 2 351.454 3.285 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248464409 497021340 /nfs/dbraw/zinc/02/13/40/497021340.db2.gz RDLDVDXHJMFUSE-MOPGFXCFSA-N 1 2 354.381 3.065 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248464409 497021343 /nfs/dbraw/zinc/02/13/43/497021343.db2.gz RDLDVDXHJMFUSE-MOPGFXCFSA-N 1 2 354.381 3.065 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248830362 497112616 /nfs/dbraw/zinc/11/26/16/497112616.db2.gz DYUDSFPQXQXQIJ-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248830362 497112621 /nfs/dbraw/zinc/11/26/21/497112621.db2.gz DYUDSFPQXQXQIJ-ZWKOTPCHSA-N 1 2 372.831 3.311 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000248873289 497121610 /nfs/dbraw/zinc/12/16/10/497121610.db2.gz VMXLDIBUJRFRJO-BJJXKVORSA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000248873289 497121612 /nfs/dbraw/zinc/12/16/12/497121612.db2.gz VMXLDIBUJRFRJO-BJJXKVORSA-N 1 2 363.255 3.094 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)s1 ZINC000189524820 497150331 /nfs/dbraw/zinc/15/03/31/497150331.db2.gz MEUZPVCOTOWRSU-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270711706 497185158 /nfs/dbraw/zinc/18/51/58/497185158.db2.gz OPPSPDBOIOGOIC-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270711706 497185162 /nfs/dbraw/zinc/18/51/62/497185162.db2.gz OPPSPDBOIOGOIC-RBUKOAKNSA-N 1 2 355.388 3.206 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000275126147 497240974 /nfs/dbraw/zinc/24/09/74/497240974.db2.gz NUDUPNJJOJQJKL-UHFFFAOYSA-N 1 2 372.488 3.481 20 30 FGEDLO CCC(C)(C)N(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189915705 497292544 /nfs/dbraw/zinc/29/25/44/497292544.db2.gz KXELWJGKJMKANW-UHFFFAOYSA-N 1 2 355.398 3.325 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000569296941 505899740 /nfs/dbraw/zinc/89/97/40/505899740.db2.gz UMOFMHSHFGLVOQ-XQRVVYSFSA-N 1 2 369.450 3.067 20 30 FGEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000279117078 497338620 /nfs/dbraw/zinc/33/86/20/497338620.db2.gz UFSVOMMXHWQMSU-UHFFFAOYSA-N 1 2 371.872 3.246 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)C1CC1 ZINC000279187469 497361657 /nfs/dbraw/zinc/36/16/57/497361657.db2.gz GKSLJSWMQFLEMP-UHFFFAOYSA-N 1 2 351.406 3.298 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193750877 497467868 /nfs/dbraw/zinc/46/78/68/497467868.db2.gz DYUDSFPQXQXQIJ-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193750877 497467875 /nfs/dbraw/zinc/46/78/75/497467875.db2.gz DYUDSFPQXQXQIJ-ROUUACIJSA-N 1 2 372.831 3.311 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000280176386 497672296 /nfs/dbraw/zinc/67/22/96/497672296.db2.gz HPYFUPHGOQQFGB-UHFFFAOYSA-N 1 2 360.483 3.005 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000272619602 497680481 /nfs/dbraw/zinc/68/04/81/497680481.db2.gz UMSVNAGOOKNHFA-UHFFFAOYSA-N 1 2 354.223 3.152 20 30 FGEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000569400061 505925431 /nfs/dbraw/zinc/92/54/31/505925431.db2.gz OTGBYHUGMLKCKB-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1Cl ZINC000364230959 497851311 /nfs/dbraw/zinc/85/13/11/497851311.db2.gz VPBUQOFPTMPHHQ-MRXNPFEDSA-N 1 2 359.813 3.207 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccco2)cc1Cl ZINC000364230959 497851318 /nfs/dbraw/zinc/85/13/18/497851318.db2.gz VPBUQOFPTMPHHQ-MRXNPFEDSA-N 1 2 359.813 3.207 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329676051 497864661 /nfs/dbraw/zinc/86/46/61/497864661.db2.gz PJVQXASLBPCJPG-LJQANCHMSA-N 1 2 372.513 3.377 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C(F)F)C2)nc1 ZINC000292133400 497892683 /nfs/dbraw/zinc/89/26/83/497892683.db2.gz IXYFTLXMLGCMIO-AWEZNQCLSA-N 1 2 369.375 3.351 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4ccccc4n3C(F)F)C2)nc1 ZINC000292133400 497892684 /nfs/dbraw/zinc/89/26/84/497892684.db2.gz IXYFTLXMLGCMIO-AWEZNQCLSA-N 1 2 369.375 3.351 20 30 FGEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000329778336 497898726 /nfs/dbraw/zinc/89/87/26/497898726.db2.gz PZMITPZMVIGKAB-UONOGXRCSA-N 1 2 350.532 3.237 20 30 FGEDLO C[C@H](C(=O)NCC(=O)N(C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000329781440 497898889 /nfs/dbraw/zinc/89/88/89/497898889.db2.gz SQEVFJMXQHZQNJ-MRXNPFEDSA-N 1 2 357.498 3.181 20 30 FGEDLO C[C@H](C(=O)NCC(=O)N(C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000329781440 497898895 /nfs/dbraw/zinc/89/88/95/497898895.db2.gz SQEVFJMXQHZQNJ-MRXNPFEDSA-N 1 2 357.498 3.181 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280810670 497906647 /nfs/dbraw/zinc/90/66/47/497906647.db2.gz LZVWLCGKWILTBM-FOIQADDNSA-N 1 2 372.490 3.139 20 30 FGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000329813825 497910676 /nfs/dbraw/zinc/91/06/76/497910676.db2.gz TXIHZFIDRMSTHJ-CYGHRXIMSA-N 1 2 360.502 3.200 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)cc[nH+]1 ZINC000329825706 497916273 /nfs/dbraw/zinc/91/62/73/497916273.db2.gz QZUKLKMVVBWCTM-KRWDZBQOSA-N 1 2 357.502 3.324 20 30 FGEDLO CC(C)c1nnc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000329838663 497920932 /nfs/dbraw/zinc/92/09/32/497920932.db2.gz VVAZJKMIZRVZIF-NFAWXSAZSA-N 1 2 354.520 3.252 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000329851671 497927704 /nfs/dbraw/zinc/92/77/04/497927704.db2.gz QYPPVTCVBSRYLG-FPOVZHCZSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000329851671 497927709 /nfs/dbraw/zinc/92/77/09/497927709.db2.gz QYPPVTCVBSRYLG-FPOVZHCZSA-N 1 2 369.509 3.440 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)c(F)c1 ZINC000364378350 497928094 /nfs/dbraw/zinc/92/80/94/497928094.db2.gz RDUORFYPXHLMFA-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)c(F)c1 ZINC000364378350 497928097 /nfs/dbraw/zinc/92/80/97/497928097.db2.gz RDUORFYPXHLMFA-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000578491068 505952657 /nfs/dbraw/zinc/95/26/57/505952657.db2.gz AAHYLXUDOIIXQP-IBGZPJMESA-N 1 2 367.453 3.428 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000578491068 505952658 /nfs/dbraw/zinc/95/26/58/505952658.db2.gz AAHYLXUDOIIXQP-IBGZPJMESA-N 1 2 367.453 3.428 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000578491068 505952661 /nfs/dbraw/zinc/95/26/61/505952661.db2.gz AAHYLXUDOIIXQP-IBGZPJMESA-N 1 2 367.453 3.428 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000578491069 505953029 /nfs/dbraw/zinc/95/30/29/505953029.db2.gz AAHYLXUDOIIXQP-LJQANCHMSA-N 1 2 367.453 3.428 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000578491069 505953032 /nfs/dbraw/zinc/95/30/32/505953032.db2.gz AAHYLXUDOIIXQP-LJQANCHMSA-N 1 2 367.453 3.428 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000578491069 505953035 /nfs/dbraw/zinc/95/30/35/505953035.db2.gz AAHYLXUDOIIXQP-LJQANCHMSA-N 1 2 367.453 3.428 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CCO2 ZINC000329924130 497955215 /nfs/dbraw/zinc/95/52/15/497955215.db2.gz HKWHZBSNHCBGFR-HTAPYJJXSA-N 1 2 374.525 3.363 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)CCO2 ZINC000329924130 497955224 /nfs/dbraw/zinc/95/52/24/497955224.db2.gz HKWHZBSNHCBGFR-HTAPYJJXSA-N 1 2 374.525 3.363 20 30 FGEDLO CN(C)c1cccc([C@@H]2CCCN2C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000329936155 497959207 /nfs/dbraw/zinc/95/92/07/497959207.db2.gz CXGBDMXKDQTOMK-LPHOPBHVSA-N 1 2 367.497 3.263 20 30 FGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329935631 497959946 /nfs/dbraw/zinc/95/99/46/497959946.db2.gz KMBCODWXKZOYAF-JENIJYKNSA-N 1 2 369.513 3.123 20 30 FGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329935631 497959954 /nfs/dbraw/zinc/95/99/54/497959954.db2.gz KMBCODWXKZOYAF-JENIJYKNSA-N 1 2 369.513 3.123 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](O)C1CCCCC1 ZINC000329980873 497978612 /nfs/dbraw/zinc/97/86/12/497978612.db2.gz MEIWROIBPOEIDZ-BQFCYCMXSA-N 1 2 367.465 3.102 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](O)C1CCCCC1 ZINC000329980873 497978618 /nfs/dbraw/zinc/97/86/18/497978618.db2.gz MEIWROIBPOEIDZ-BQFCYCMXSA-N 1 2 367.465 3.102 20 30 FGEDLO Cn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC000569545844 505959768 /nfs/dbraw/zinc/95/97/68/505959768.db2.gz AVYCSLBZOIBDFD-OAHLLOKOSA-N 1 2 367.840 3.147 20 30 FGEDLO Cn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC000569545844 505959772 /nfs/dbraw/zinc/95/97/72/505959772.db2.gz AVYCSLBZOIBDFD-OAHLLOKOSA-N 1 2 367.840 3.147 20 30 FGEDLO C[C@H]1N(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOC1(C)C ZINC000330062229 498008505 /nfs/dbraw/zinc/00/85/05/498008505.db2.gz PCCVMZCSRGDBEG-CYBMUJFWSA-N 1 2 352.504 3.174 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@@H]3C)n2)C1 ZINC000330067722 498009122 /nfs/dbraw/zinc/00/91/22/498009122.db2.gz URDFSVYGOYMPHC-KGLIPLIRSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@@H]3C)n2)C1 ZINC000330067722 498009128 /nfs/dbraw/zinc/00/91/28/498009128.db2.gz URDFSVYGOYMPHC-KGLIPLIRSA-N 1 2 366.531 3.420 20 30 FGEDLO Cc1c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cnc2ccccc12 ZINC000330087568 498016300 /nfs/dbraw/zinc/01/63/00/498016300.db2.gz TYBBZUPRXLVRQZ-HXUWFJFHSA-N 1 2 371.506 3.056 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@]2(CCOC2)O1 ZINC000330089249 498017065 /nfs/dbraw/zinc/01/70/65/498017065.db2.gz VRZUCHLPMZZMRY-WBWROVFMSA-N 1 2 362.514 3.182 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@]2(CCOC2)O1 ZINC000330089249 498017070 /nfs/dbraw/zinc/01/70/70/498017070.db2.gz VRZUCHLPMZZMRY-WBWROVFMSA-N 1 2 362.514 3.182 20 30 FGEDLO Cc1cc(NC(=O)N2CCO[C@H](C3CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000330125121 498030072 /nfs/dbraw/zinc/03/00/72/498030072.db2.gz IHABYIJTMFDQHE-QAPCUYQASA-N 1 2 358.486 3.425 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCOC2(CCCC2)C1 ZINC000330142491 498037798 /nfs/dbraw/zinc/03/77/98/498037798.db2.gz YHJSVEHYAMHJQL-HNNXBMFYSA-N 1 2 360.454 3.469 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCOC2(CCCC2)C1 ZINC000330142491 498037810 /nfs/dbraw/zinc/03/78/10/498037810.db2.gz YHJSVEHYAMHJQL-HNNXBMFYSA-N 1 2 360.454 3.469 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000330235999 498073506 /nfs/dbraw/zinc/07/35/06/498073506.db2.gz UDZKJWLNZXRLCG-CYBMUJFWSA-N 1 2 374.407 3.283 20 30 FGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000575419173 505975132 /nfs/dbraw/zinc/97/51/32/505975132.db2.gz YURFSSUXSMCFAY-ZDUSSCGKSA-N 1 2 350.846 3.480 20 30 FGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000575419173 505975137 /nfs/dbraw/zinc/97/51/37/505975137.db2.gz YURFSSUXSMCFAY-ZDUSSCGKSA-N 1 2 350.846 3.480 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000330279222 498091343 /nfs/dbraw/zinc/09/13/43/498091343.db2.gz QRPDUOHQPTXRGA-INIZCTEOSA-N 1 2 364.515 3.234 20 30 FGEDLO CC(C)c1noc([C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C2CCOCC2)n1 ZINC000330284058 498093589 /nfs/dbraw/zinc/09/35/89/498093589.db2.gz WZCGZQMWQUIQMZ-GOEBONIOSA-N 1 2 373.457 3.076 20 30 FGEDLO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000330321011 498104051 /nfs/dbraw/zinc/10/40/51/498104051.db2.gz FPYGAUCLVYHLRL-HWMZRRJGSA-N 1 2 366.531 3.208 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)CCO1 ZINC000330359606 498118453 /nfs/dbraw/zinc/11/84/53/498118453.db2.gz WFNYLZNNAATSNR-PBHICJAKSA-N 1 2 369.425 3.010 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000296632245 498129265 /nfs/dbraw/zinc/12/92/65/498129265.db2.gz YIHZJWCQVDYCLC-HOCLYGCPSA-N 1 2 364.405 3.011 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)c1C#N ZINC000289402596 498133453 /nfs/dbraw/zinc/13/34/53/498133453.db2.gz FZGJAFOQGHYPHZ-CYBMUJFWSA-N 1 2 353.451 3.348 20 30 FGEDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)S1 ZINC000301500633 498136889 /nfs/dbraw/zinc/13/68/89/498136889.db2.gz ASECZUKWCXEAHD-GFCCVEGCSA-N 1 2 371.897 3.373 20 30 FGEDLO CC(C)Cc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285621215 498149583 /nfs/dbraw/zinc/14/95/83/498149583.db2.gz YCHPZIXOWIPNQU-UHFFFAOYSA-N 1 2 358.417 3.322 20 30 FGEDLO CC(C)OC[C@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)CCO1 ZINC000364844066 498170494 /nfs/dbraw/zinc/17/04/94/498170494.db2.gz MLXUIZZHHWDMQC-OAQYLSRUSA-N 1 2 353.466 3.034 20 30 FGEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)CCO1 ZINC000364844066 498170500 /nfs/dbraw/zinc/17/05/00/498170500.db2.gz MLXUIZZHHWDMQC-OAQYLSRUSA-N 1 2 353.466 3.034 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000285693099 498173216 /nfs/dbraw/zinc/17/32/16/498173216.db2.gz NVNRXULTUWSAPY-KBPBESRZSA-N 1 2 358.392 3.346 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c(Br)c1 ZINC000330861652 498207496 /nfs/dbraw/zinc/20/74/96/498207496.db2.gz VMOBRMDHLXLSMN-SCRDCRAPSA-N 1 2 350.260 3.366 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000297032618 498296378 /nfs/dbraw/zinc/29/63/78/498296378.db2.gz UOCUZQRCYJXNNF-INIZCTEOSA-N 1 2 356.401 3.186 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000297032639 498296436 /nfs/dbraw/zinc/29/64/36/498296436.db2.gz UOCUZQRCYJXNNF-MRXNPFEDSA-N 1 2 356.401 3.186 20 30 FGEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c([N+](=O)[O-])c1 ZINC000297074281 498313980 /nfs/dbraw/zinc/31/39/80/498313980.db2.gz JPARJMVBJWKKIS-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO N#Cc1sc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)nc1Cl ZINC000286194243 498321034 /nfs/dbraw/zinc/32/10/34/498321034.db2.gz JYQRVULYSDZWRH-UHFFFAOYSA-N 1 2 361.858 3.113 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000360942350 498325532 /nfs/dbraw/zinc/32/55/32/498325532.db2.gz PYMCYAHEFLNGFX-CQSZACIVSA-N 1 2 351.376 3.056 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000360942350 498325538 /nfs/dbraw/zinc/32/55/38/498325538.db2.gz PYMCYAHEFLNGFX-CQSZACIVSA-N 1 2 351.376 3.056 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1 ZINC000301951557 498342030 /nfs/dbraw/zinc/34/20/30/498342030.db2.gz FQURPRDGPAINHS-UHFFFAOYSA-N 1 2 367.416 3.395 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000575864387 506021126 /nfs/dbraw/zinc/02/11/26/506021126.db2.gz IWBUUWWDKPIPCC-UHFFFAOYSA-N 1 2 365.481 3.351 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1F ZINC000365234052 498365120 /nfs/dbraw/zinc/36/51/20/498365120.db2.gz MBCMTNWIEDTZMA-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1F ZINC000365234052 498365125 /nfs/dbraw/zinc/36/51/25/498365125.db2.gz MBCMTNWIEDTZMA-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144810 498399860 /nfs/dbraw/zinc/39/98/60/498399860.db2.gz ZUZXBSOSIWVIHG-SJORKVTESA-N 1 2 352.438 3.051 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144810 498399864 /nfs/dbraw/zinc/39/98/64/498399864.db2.gz ZUZXBSOSIWVIHG-SJORKVTESA-N 1 2 352.438 3.051 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362126984 498467349 /nfs/dbraw/zinc/46/73/49/498467349.db2.gz FZLABLXTCCNSJE-HNNXBMFYSA-N 1 2 353.426 3.100 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N(CC)[C@@H](c1[nH+]ccn1C)c1cccnc1)OCC ZINC000362180978 498473195 /nfs/dbraw/zinc/47/31/95/498473195.db2.gz SVIPPMRZDKEGKP-IEBWSBKVSA-N 1 2 356.470 3.124 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@]3(C#N)CC34CCCC4)ccc2n1[C@@H](C)CO ZINC000581710433 506050729 /nfs/dbraw/zinc/05/07/29/506050729.db2.gz KJTFJCCNWADPDB-RNODOKPDSA-N 1 2 352.438 3.311 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(OC)c2)cc1 ZINC000362720535 498544537 /nfs/dbraw/zinc/54/45/37/498544537.db2.gz XMELGOWQZBWMQA-OAQYLSRUSA-N 1 2 361.445 3.320 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000362814739 498558556 /nfs/dbraw/zinc/55/85/56/498558556.db2.gz PDPGAWZXKVTZMD-INIZCTEOSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000362814739 498558561 /nfs/dbraw/zinc/55/85/61/498558561.db2.gz PDPGAWZXKVTZMD-INIZCTEOSA-N 1 2 357.483 3.054 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000332135162 498574086 /nfs/dbraw/zinc/57/40/86/498574086.db2.gz KIOMLYMFNMOXHF-KRWDZBQOSA-N 1 2 368.525 3.471 20 30 FGEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000282697920 498616416 /nfs/dbraw/zinc/61/64/16/498616416.db2.gz URQMGJNWGFFWFZ-CQSZACIVSA-N 1 2 358.515 3.071 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000298190469 498690935 /nfs/dbraw/zinc/69/09/35/498690935.db2.gz OPNRBSUWYVEWQL-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1cc(N2CCC(N(C)C(=O)CC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000365955336 498710716 /nfs/dbraw/zinc/71/07/16/498710716.db2.gz LYWUHAMFYOHRLW-UHFFFAOYSA-N 1 2 357.502 3.276 20 30 FGEDLO CN(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000332575129 498729684 /nfs/dbraw/zinc/72/96/84/498729684.db2.gz YMQKCYUNYPCCHX-UHFFFAOYSA-N 1 2 352.413 3.071 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000366285030 498856847 /nfs/dbraw/zinc/85/68/47/498856847.db2.gz PFQJBWZYYBNVTI-UHFFFAOYSA-N 1 2 368.506 3.339 20 30 FGEDLO CC[C@@]1(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000328616123 498875109 /nfs/dbraw/zinc/87/51/09/498875109.db2.gz SDUCADZRCFCULN-KDOFPFPSSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@@]1(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCO1 ZINC000328616123 498875115 /nfs/dbraw/zinc/87/51/15/498875115.db2.gz SDUCADZRCFCULN-KDOFPFPSSA-N 1 2 366.531 3.421 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CCC2 ZINC000328646360 498888367 /nfs/dbraw/zinc/88/83/67/498888367.db2.gz AZESQKUCDNSSAG-GFCCVEGCSA-N 1 2 354.385 3.467 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000366370623 498895427 /nfs/dbraw/zinc/89/54/27/498895427.db2.gz AEUBXHMECDECSG-MRXNPFEDSA-N 1 2 350.466 3.316 20 30 FGEDLO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000328691630 498903618 /nfs/dbraw/zinc/90/36/18/498903618.db2.gz DYTJHDQALKOPSC-UZLBHIALSA-N 1 2 367.497 3.090 20 30 FGEDLO CC1(C)Cc2cc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000328732044 498919773 /nfs/dbraw/zinc/91/97/73/498919773.db2.gz IWMQJDVSDDLBJU-MRXNPFEDSA-N 1 2 352.438 3.400 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc3c1O[C@@H](C)C(=O)N3)CCC2 ZINC000328831304 498954560 /nfs/dbraw/zinc/95/45/60/498954560.db2.gz RGIKLUOMRYHZPV-STQMWFEESA-N 1 2 354.410 3.443 20 30 FGEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328856807 498963194 /nfs/dbraw/zinc/96/31/94/498963194.db2.gz XYXULYCFEAIUKN-LMMKCTJWSA-N 1 2 357.454 3.154 20 30 FGEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)C2CC2)cc1 ZINC000328856807 498963200 /nfs/dbraw/zinc/96/32/00/498963200.db2.gz XYXULYCFEAIUKN-LMMKCTJWSA-N 1 2 357.454 3.154 20 30 FGEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000363746871 498972697 /nfs/dbraw/zinc/97/26/97/498972697.db2.gz QQGOLRAVMJVWCV-AWEZNQCLSA-N 1 2 357.845 3.273 20 30 FGEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000363746871 498972702 /nfs/dbraw/zinc/97/27/02/498972702.db2.gz QQGOLRAVMJVWCV-AWEZNQCLSA-N 1 2 357.845 3.273 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000328935413 498991584 /nfs/dbraw/zinc/99/15/84/498991584.db2.gz CIQFDJSRSXKPQU-FGTMMUONSA-N 1 2 374.460 3.067 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000328935413 498991587 /nfs/dbraw/zinc/99/15/87/498991587.db2.gz CIQFDJSRSXKPQU-FGTMMUONSA-N 1 2 374.460 3.067 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(F)(c3ccccn3)CC2)c(C#N)c1C ZINC000295402583 499006118 /nfs/dbraw/zinc/00/61/18/499006118.db2.gz RZVJGFOHBRTROM-AWEZNQCLSA-N 1 2 370.428 3.451 20 30 FGEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nc2c(cc1C#N)CCC2 ZINC000329229182 499078071 /nfs/dbraw/zinc/07/80/71/499078071.db2.gz JDUSFANNXBOKQN-GOSISDBHSA-N 1 2 368.506 3.013 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCOC4(CCSCC4)C3)cn21 ZINC000329235773 499080668 /nfs/dbraw/zinc/08/06/68/499080668.db2.gz IXBDLCKJMLTRSY-HNNXBMFYSA-N 1 2 374.510 3.091 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329241350 499082489 /nfs/dbraw/zinc/08/24/89/499082489.db2.gz RPGUEHNSBJAKCR-LJQANCHMSA-N 1 2 369.509 3.353 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329241350 499082491 /nfs/dbraw/zinc/08/24/91/499082491.db2.gz RPGUEHNSBJAKCR-LJQANCHMSA-N 1 2 369.509 3.353 20 30 FGEDLO O=C(NC[C@H]1CCCSC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329277873 499089926 /nfs/dbraw/zinc/08/99/26/499089926.db2.gz CQIITKOEJZXSDT-OAHLLOKOSA-N 1 2 362.543 3.456 20 30 FGEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@@H]3COc4ccccc4C3)CC2)c[nH+]1 ZINC000329312303 499096996 /nfs/dbraw/zinc/09/69/96/499096996.db2.gz AJTMGEBRTANCBW-IBGZPJMESA-N 1 2 351.450 3.487 20 30 FGEDLO Cc1cc(NC(=O)N2CCc3cncnc3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329338788 499102643 /nfs/dbraw/zinc/10/26/43/499102643.db2.gz NHOJVYASALKBHC-HNNXBMFYSA-N 1 2 366.469 3.163 20 30 FGEDLO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000329354717 499107362 /nfs/dbraw/zinc/10/73/62/499107362.db2.gz VMFZQMPBFXCALC-UHFFFAOYSA-N 1 2 356.426 3.039 20 30 FGEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329357909 499108175 /nfs/dbraw/zinc/10/81/75/499108175.db2.gz BHPLAHUYJXSFQC-CYBMUJFWSA-N 1 2 361.442 3.392 20 30 FGEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329357909 499108177 /nfs/dbraw/zinc/10/81/77/499108177.db2.gz BHPLAHUYJXSFQC-CYBMUJFWSA-N 1 2 361.442 3.392 20 30 FGEDLO N#CCc1ccc(C(=O)NC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000366896556 499109226 /nfs/dbraw/zinc/10/92/26/499109226.db2.gz PDSZCGCPXZYGIU-UHFFFAOYSA-N 1 2 359.433 3.028 20 30 FGEDLO CC[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H](C)O1 ZINC000329389475 499113676 /nfs/dbraw/zinc/11/36/76/499113676.db2.gz ULACVHSGDLIANI-HIFRSBDPSA-N 1 2 352.504 3.174 20 30 FGEDLO Cc1csc(=O)n1CCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329402056 499115456 /nfs/dbraw/zinc/11/54/56/499115456.db2.gz YKHFEFYRFSOACZ-CYBMUJFWSA-N 1 2 362.499 3.074 20 30 FGEDLO O=C(CC[C@@H]1CCCCO1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329414386 499117821 /nfs/dbraw/zinc/11/78/21/499117821.db2.gz CPEZYRPREWGJDX-HNNXBMFYSA-N 1 2 358.442 3.337 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372811607 499178602 /nfs/dbraw/zinc/17/86/02/499178602.db2.gz HRZHEOZKNXLLEI-RYUDHWBXSA-N 1 2 365.466 3.415 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)[nH]n1 ZINC000370206689 499197300 /nfs/dbraw/zinc/19/73/00/499197300.db2.gz CIKIXBRPWJNXJG-CQSZACIVSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)[nH]n1 ZINC000370206689 499197302 /nfs/dbraw/zinc/19/73/02/499197302.db2.gz CIKIXBRPWJNXJG-CQSZACIVSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n[nH]1 ZINC000370206689 499197303 /nfs/dbraw/zinc/19/73/03/499197303.db2.gz CIKIXBRPWJNXJG-CQSZACIVSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n[nH]1 ZINC000370206689 499197305 /nfs/dbraw/zinc/19/73/05/499197305.db2.gz CIKIXBRPWJNXJG-CQSZACIVSA-N 1 2 357.483 3.086 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000367457846 499201014 /nfs/dbraw/zinc/20/10/14/499201014.db2.gz HVVLVVBZPKBYJV-HNAYVOBHSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000367457846 499201015 /nfs/dbraw/zinc/20/10/15/499201015.db2.gz HVVLVVBZPKBYJV-HNAYVOBHSA-N 1 2 359.495 3.274 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000367522270 499208662 /nfs/dbraw/zinc/20/86/62/499208662.db2.gz DFPSXGOCPBFZHO-UHFFFAOYSA-N 1 2 373.416 3.065 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000367522270 499208663 /nfs/dbraw/zinc/20/86/63/499208663.db2.gz DFPSXGOCPBFZHO-UHFFFAOYSA-N 1 2 373.416 3.065 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367761056 499231491 /nfs/dbraw/zinc/23/14/91/499231491.db2.gz OSHOZKGBBAUKGB-RTBURBONSA-N 1 2 350.466 3.003 20 30 FGEDLO CCN(C(=O)/C=C/c1ccccc1C#N)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370863059 499263857 /nfs/dbraw/zinc/26/38/57/499263857.db2.gz UCXQHMVRXPBDSB-RQWLHQTBSA-N 1 2 371.444 3.338 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC=C(c4cncc(F)c4)CC3)o2)cc1 ZINC000371381990 499317913 /nfs/dbraw/zinc/31/79/13/499317913.db2.gz XGGZEDSIGCZHIV-UHFFFAOYSA-N 1 2 361.380 3.432 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=C(c4cncc(F)c4)CC3)o2)cc1 ZINC000371381990 499317915 /nfs/dbraw/zinc/31/79/15/499317915.db2.gz XGGZEDSIGCZHIV-UHFFFAOYSA-N 1 2 361.380 3.432 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC000369100063 499365707 /nfs/dbraw/zinc/36/57/07/499365707.db2.gz MERPKGDROAAPJI-INIZCTEOSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(Cl)cc3C#N)CC2)no1 ZINC000369100063 499365708 /nfs/dbraw/zinc/36/57/08/499365708.db2.gz MERPKGDROAAPJI-INIZCTEOSA-N 1 2 359.861 3.394 20 30 FGEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000369208349 499377323 /nfs/dbraw/zinc/37/73/23/499377323.db2.gz XDUNSEBQHDHLTN-UHFFFAOYSA-N 1 2 370.384 3.195 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH+]ccn2C)c1 ZINC000372971912 499445200 /nfs/dbraw/zinc/44/52/00/499445200.db2.gz FLYAWSDLXDQNQL-IBGZPJMESA-N 1 2 365.481 3.121 20 30 FGEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)ccc1N1CCOCC1 ZINC000373279129 499461232 /nfs/dbraw/zinc/46/12/32/499461232.db2.gz CVYVVDAYTMRFOF-HDAAZOAOSA-N 1 2 355.482 3.483 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000373785371 499487838 /nfs/dbraw/zinc/48/78/38/499487838.db2.gz CVOABSOFGAXZIZ-UHFFFAOYSA-N 1 2 360.870 3.486 20 30 FGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000375261591 499500527 /nfs/dbraw/zinc/50/05/27/499500527.db2.gz DAIGKOYYRQDBFT-FQEVSTJZSA-N 1 2 353.466 3.013 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000375261591 499500528 /nfs/dbraw/zinc/50/05/28/499500528.db2.gz DAIGKOYYRQDBFT-FQEVSTJZSA-N 1 2 353.466 3.013 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000378442039 499517391 /nfs/dbraw/zinc/51/73/91/499517391.db2.gz BWWYPWBGMZOGIG-YJBOKZPZSA-N 1 2 369.469 3.031 20 30 FGEDLO N#Cc1csc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000579339860 506150766 /nfs/dbraw/zinc/15/07/66/506150766.db2.gz JMXYAZGMSRMMJA-UHFFFAOYSA-N 1 2 350.451 3.179 20 30 FGEDLO Cc1nc(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)no1 ZINC000376518015 499614980 /nfs/dbraw/zinc/61/49/80/499614980.db2.gz LSORMMZGXJAOSR-UHFFFAOYSA-N 1 2 361.243 3.392 20 30 FGEDLO CCn1c(CCNc2ccc(C(F)(F)F)c(C#N)n2)[nH+]c2ccccc21 ZINC000409722043 499617826 /nfs/dbraw/zinc/61/78/26/499617826.db2.gz UVSPUXCMQVMXHC-UHFFFAOYSA-N 1 2 359.355 3.418 20 30 FGEDLO COc1cc(C#N)ccc1OC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377039248 499655989 /nfs/dbraw/zinc/65/59/89/499655989.db2.gz GAQJXWYBSOZYBU-INIZCTEOSA-N 1 2 351.406 3.092 20 30 FGEDLO COCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000377250488 499673992 /nfs/dbraw/zinc/67/39/92/499673992.db2.gz NLIAEMQASCWJML-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000377250488 499673994 /nfs/dbraw/zinc/67/39/94/499673994.db2.gz NLIAEMQASCWJML-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190652 499709152 /nfs/dbraw/zinc/70/91/52/499709152.db2.gz IENSASDIEHRTIV-HNAYVOBHSA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000411190652 499709153 /nfs/dbraw/zinc/70/91/53/499709153.db2.gz IENSASDIEHRTIV-HNAYVOBHSA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCN(C2CC2)C1=O ZINC000411218910 499712966 /nfs/dbraw/zinc/71/29/66/499712966.db2.gz JKXBOQBTOVLGQL-MRXNPFEDSA-N 1 2 367.262 3.340 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCN(C2CC2)C1=O ZINC000411218910 499712967 /nfs/dbraw/zinc/71/29/67/499712967.db2.gz JKXBOQBTOVLGQL-MRXNPFEDSA-N 1 2 367.262 3.340 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2csnn2)c1C#N ZINC000412037100 499815403 /nfs/dbraw/zinc/81/54/03/499815403.db2.gz IXTMWRKCBARWBJ-GFCCVEGCSA-N 1 2 372.498 3.233 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2csnn2)ccc1Cl ZINC000412049563 499817228 /nfs/dbraw/zinc/81/72/28/499817228.db2.gz ZFWRJPFXNNGSQD-GFCCVEGCSA-N 1 2 363.874 3.097 20 30 FGEDLO COc1ccccc1NC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425211099 500044985 /nfs/dbraw/zinc/04/49/85/500044985.db2.gz WQWQYJHIZYNQFD-UHFFFAOYSA-N 1 2 350.422 3.125 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000425212252 500045056 /nfs/dbraw/zinc/04/50/56/500045056.db2.gz ZOSAUHXDNIUYTA-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000425394585 500092866 /nfs/dbraw/zinc/09/28/66/500092866.db2.gz LKGXYYGZLALHJY-HNNXBMFYSA-N 1 2 351.454 3.036 20 30 FGEDLO CCCCn1c(SCc2ncc(C#N)cn2)nnc1[C@@H](CC)[NH+](C)C ZINC000416898054 500150386 /nfs/dbraw/zinc/15/03/86/500150386.db2.gz RHRGYHZELPYBCF-CQSZACIVSA-N 1 2 359.503 3.045 20 30 FGEDLO COC(=O)c1ccccc1CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000430182477 500205087 /nfs/dbraw/zinc/20/50/87/500205087.db2.gz WLBLJFGNKRPDQR-UHFFFAOYSA-N 1 2 355.463 3.256 20 30 FGEDLO Clc1ccc(C#CC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000426413887 500270573 /nfs/dbraw/zinc/27/05/73/500270573.db2.gz YUTNMRGOGCREAO-UHFFFAOYSA-N 1 2 364.880 3.157 20 30 FGEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cc2[nH+]c1C1CC1 ZINC000427771642 500430330 /nfs/dbraw/zinc/43/03/30/500430330.db2.gz ACFPTXKVYQYRFE-UHFFFAOYSA-N 1 2 370.409 3.262 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000428013023 500457979 /nfs/dbraw/zinc/45/79/79/500457979.db2.gz WRNMFNKQMBJIOC-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2ccc(Br)cc2SC)nn1 ZINC000424174945 500463289 /nfs/dbraw/zinc/46/32/89/500463289.db2.gz SNWLKJVZZCYCJT-UHFFFAOYSA-N 1 2 353.289 3.238 20 30 FGEDLO C=CCc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc(OC)c1O ZINC000424202553 500468025 /nfs/dbraw/zinc/46/80/25/500468025.db2.gz PXOBYBOHEPBXGM-NSHDSACASA-N 1 2 362.451 3.223 20 30 FGEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000428355782 500499642 /nfs/dbraw/zinc/49/96/42/500499642.db2.gz GXINQGUGNDINDO-SFHVURJKSA-N 1 2 372.428 3.486 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000428390313 500504012 /nfs/dbraw/zinc/50/40/12/500504012.db2.gz ODWKFMZMOQWUEH-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2C[C@H](CC)O[C@@H](CC)C2)cc1 ZINC000420955152 500540387 /nfs/dbraw/zinc/54/03/87/500540387.db2.gz VWPGWLVERNTMHS-OALUTQOASA-N 1 2 373.497 3.221 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000432678927 500547598 /nfs/dbraw/zinc/54/75/98/500547598.db2.gz UNLNYYBJRSEXHH-HOTGVXAUSA-N 1 2 358.486 3.309 20 30 FGEDLO C=CCCn1cc(C(=O)NCc2ccc3c(c2)[nH+]c(CC)n3C2CC2)nn1 ZINC000424818816 500568703 /nfs/dbraw/zinc/56/87/03/500568703.db2.gz IFESYMXVYMZOPR-UHFFFAOYSA-N 1 2 364.453 3.031 20 30 FGEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc(C)c1Cl ZINC000442462422 500592894 /nfs/dbraw/zinc/59/28/94/500592894.db2.gz WDAYRJFEQUKJRR-UHFFFAOYSA-N 1 2 364.877 3.037 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147187 500607230 /nfs/dbraw/zinc/60/72/30/500607230.db2.gz SAQPZJQGZPFSDL-DGCLKSJQSA-N 1 2 350.287 3.047 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147187 500607233 /nfs/dbraw/zinc/60/72/33/500607233.db2.gz SAQPZJQGZPFSDL-DGCLKSJQSA-N 1 2 350.287 3.047 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437153653 500607957 /nfs/dbraw/zinc/60/79/57/500607957.db2.gz HCUUBQKVESFHND-QGZVFWFLSA-N 1 2 371.387 3.397 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437153653 500607959 /nfs/dbraw/zinc/60/79/59/500607959.db2.gz HCUUBQKVESFHND-QGZVFWFLSA-N 1 2 371.387 3.397 20 30 FGEDLO C=CC[C@@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442829241 500631554 /nfs/dbraw/zinc/63/15/54/500631554.db2.gz UITVLUPHXLEUAR-GCJKJVERSA-N 1 2 372.509 3.269 20 30 FGEDLO C=CCCc1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000573532205 506208312 /nfs/dbraw/zinc/20/83/12/506208312.db2.gz LMWJXSWMZTYKPE-UHFFFAOYSA-N 1 2 351.450 3.285 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)C[C@H](C)O1 ZINC000442979898 500658509 /nfs/dbraw/zinc/65/85/09/500658509.db2.gz PWQORABQLVSEPB-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)C[C@H](C)O1 ZINC000442979898 500658511 /nfs/dbraw/zinc/65/85/11/500658511.db2.gz PWQORABQLVSEPB-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(c3nccnc3C)CC2)ccc1OC ZINC000443070905 500673889 /nfs/dbraw/zinc/67/38/89/500673889.db2.gz RJPJUDOWRGVJNP-UHFFFAOYSA-N 1 2 368.481 3.071 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000437990977 500725618 /nfs/dbraw/zinc/72/56/18/500725618.db2.gz WOZQGEXYOALXSH-QUCCMNQESA-N 1 2 368.481 3.054 20 30 FGEDLO C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1c(F)cccc1F ZINC000443507852 500731454 /nfs/dbraw/zinc/73/14/54/500731454.db2.gz HKHJHNOZZZYWNS-AWEZNQCLSA-N 1 2 370.325 3.387 20 30 FGEDLO Cc1nc2[nH]ccc2c(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000433788181 500744857 /nfs/dbraw/zinc/74/48/57/500744857.db2.gz CJBYNSIMANDINI-AWEZNQCLSA-N 1 2 350.401 3.358 20 30 FGEDLO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)s1 ZINC000434361181 500832500 /nfs/dbraw/zinc/83/25/00/500832500.db2.gz GOBMOBQQGQLDJP-UHFFFAOYSA-N 1 2 350.447 3.379 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1C ZINC000611577721 506220703 /nfs/dbraw/zinc/22/07/03/506220703.db2.gz KFFYCTWDPAQBPJ-MRXNPFEDSA-N 1 2 365.424 3.254 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OC(F)F)C2)c1C ZINC000611577721 506220706 /nfs/dbraw/zinc/22/07/06/506220706.db2.gz KFFYCTWDPAQBPJ-MRXNPFEDSA-N 1 2 365.424 3.254 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444674847 500876971 /nfs/dbraw/zinc/87/69/71/500876971.db2.gz LUCNGIVVKCAQHX-NRFANRHFSA-N 1 2 361.489 3.487 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444674847 500876972 /nfs/dbraw/zinc/87/69/72/500876972.db2.gz LUCNGIVVKCAQHX-NRFANRHFSA-N 1 2 361.489 3.487 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000434977791 500918007 /nfs/dbraw/zinc/91/80/07/500918007.db2.gz JRBVINLJQSIKKP-PNWMKBJFSA-N 1 2 362.433 3.490 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C(N)=O)cc1 ZINC000439646935 500922099 /nfs/dbraw/zinc/92/20/99/500922099.db2.gz WTNBBBRRSSKZDT-DZGCQCFKSA-N 1 2 362.216 3.115 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1C#N ZINC000435568467 500993088 /nfs/dbraw/zinc/99/30/88/500993088.db2.gz UEDJLYXQWNZYFF-UHFFFAOYSA-N 1 2 368.437 3.288 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCc3ncsc3C2)c2ccccc21 ZINC000445846939 501040704 /nfs/dbraw/zinc/04/07/04/501040704.db2.gz OJRNMFLQOPNNPY-UHFFFAOYSA-N 1 2 350.447 3.252 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCc3ncsc3C2)c2ccccc21 ZINC000445846939 501040707 /nfs/dbraw/zinc/04/07/07/501040707.db2.gz OJRNMFLQOPNNPY-UHFFFAOYSA-N 1 2 350.447 3.252 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000602624702 506235701 /nfs/dbraw/zinc/23/57/01/506235701.db2.gz QALWQNLYROAJSF-KWCHVYNWSA-N 1 2 351.244 3.335 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441430493 501137245 /nfs/dbraw/zinc/13/72/45/501137245.db2.gz SLHDTJMFQYACFF-YFVAEKQCSA-N 1 2 372.509 3.099 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441430493 501137248 /nfs/dbraw/zinc/13/72/48/501137248.db2.gz SLHDTJMFQYACFF-YFVAEKQCSA-N 1 2 372.509 3.099 20 30 FGEDLO N#CC1(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCC1 ZINC000450502773 501138154 /nfs/dbraw/zinc/13/81/54/501138154.db2.gz QCZQPWSGSGMWMH-UHFFFAOYSA-N 1 2 366.278 3.400 20 30 FGEDLO O=C([C@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000446767853 501163444 /nfs/dbraw/zinc/16/34/44/501163444.db2.gz WYEKLYZHYFFEDW-JOCHJYFZSA-N 1 2 362.448 3.227 20 30 FGEDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccc(F)cc1)N1CCCC1 ZINC000446767853 501163447 /nfs/dbraw/zinc/16/34/47/501163447.db2.gz WYEKLYZHYFFEDW-JOCHJYFZSA-N 1 2 362.448 3.227 20 30 FGEDLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000446911656 501180764 /nfs/dbraw/zinc/18/07/64/501180764.db2.gz UIZQGUWMHLUKGN-UHFFFAOYSA-N 1 2 357.889 3.485 20 30 FGEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451574727 501328338 /nfs/dbraw/zinc/32/83/38/501328338.db2.gz RXNFGCYMRKNYDN-CZUORRHYSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451574727 501328340 /nfs/dbraw/zinc/32/83/40/501328340.db2.gz RXNFGCYMRKNYDN-CZUORRHYSA-N 1 2 361.511 3.184 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661563 506250068 /nfs/dbraw/zinc/25/00/68/506250068.db2.gz FIENXKPUVHMJNI-MRXNPFEDSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661563 506250074 /nfs/dbraw/zinc/25/00/74/506250074.db2.gz FIENXKPUVHMJNI-MRXNPFEDSA-N 1 2 350.470 3.499 20 30 FGEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451873373 501390505 /nfs/dbraw/zinc/39/05/05/501390505.db2.gz OPIYGFLFYBTVGQ-CQSZACIVSA-N 1 2 350.388 3.127 20 30 FGEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451873373 501390509 /nfs/dbraw/zinc/39/05/09/501390509.db2.gz OPIYGFLFYBTVGQ-CQSZACIVSA-N 1 2 350.388 3.127 20 30 FGEDLO C=C[C@H](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)c1ccccc1 ZINC000456986958 501630706 /nfs/dbraw/zinc/63/07/06/501630706.db2.gz JXLDRNQXJZMPBP-LJQANCHMSA-N 1 2 368.477 3.300 20 30 FGEDLO C=Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463476888 501734698 /nfs/dbraw/zinc/73/46/98/501734698.db2.gz SZJASRVAQGWJMM-UHFFFAOYSA-N 1 2 374.488 3.271 20 30 FGEDLO C[N@H+](Cc1cccc(Br)c1OCC(C)(C)O)CC1(C#N)CC1 ZINC000467281228 501757496 /nfs/dbraw/zinc/75/74/96/501757496.db2.gz JLLUNBLVTCHANP-UHFFFAOYSA-N 1 2 367.287 3.334 20 30 FGEDLO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)CC1(C#N)CC1 ZINC000467281228 501757501 /nfs/dbraw/zinc/75/75/01/501757501.db2.gz JLLUNBLVTCHANP-UHFFFAOYSA-N 1 2 367.287 3.334 20 30 FGEDLO CC[N@H+](CCCNS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000460472132 501831817 /nfs/dbraw/zinc/83/18/17/501831817.db2.gz ZGNDSQWMHRDFOR-UHFFFAOYSA-N 1 2 363.527 3.296 20 30 FGEDLO CC[N@@H+](CCCNS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000460472132 501831821 /nfs/dbraw/zinc/83/18/21/501831821.db2.gz ZGNDSQWMHRDFOR-UHFFFAOYSA-N 1 2 363.527 3.296 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000596139866 506276926 /nfs/dbraw/zinc/27/69/26/506276926.db2.gz WFOZUQVHGNZANV-CQSZACIVSA-N 1 2 355.873 3.447 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3cccc(C#N)c3)cn2c1 ZINC000467771691 501866290 /nfs/dbraw/zinc/86/62/90/501866290.db2.gz OLFQIXMLQMAYGW-UHFFFAOYSA-N 1 2 364.474 3.107 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000474525002 501866860 /nfs/dbraw/zinc/86/68/60/501866860.db2.gz GXTHKDJWRSWRBT-OWOJBTEDSA-N 1 2 363.436 3.445 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000582534525 506280028 /nfs/dbraw/zinc/28/00/28/506280028.db2.gz DILWGAQPDJLAHA-WOJBJXKFSA-N 1 2 357.498 3.186 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000582534525 506280034 /nfs/dbraw/zinc/28/00/34/506280034.db2.gz DILWGAQPDJLAHA-WOJBJXKFSA-N 1 2 357.498 3.186 20 30 FGEDLO Cc1cc2[nH]c(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2c(C)c1 ZINC000481999496 501942802 /nfs/dbraw/zinc/94/28/02/501942802.db2.gz GPVMBOHASSKIRM-INIZCTEOSA-N 1 2 360.465 3.157 20 30 FGEDLO Cc1cc2[nH]c(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2c(C)c1 ZINC000481999496 501942804 /nfs/dbraw/zinc/94/28/04/501942804.db2.gz GPVMBOHASSKIRM-INIZCTEOSA-N 1 2 360.465 3.157 20 30 FGEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000464316797 501952551 /nfs/dbraw/zinc/95/25/51/501952551.db2.gz YXIGVUVTAYMDBK-JKSUJKDBSA-N 1 2 364.287 3.250 20 30 FGEDLO C=CCOc1ccc(CNc2[nH+]c3c(cccc3OC)n2C)cc1OC ZINC000471478405 502039583 /nfs/dbraw/zinc/03/95/83/502039583.db2.gz AASNOEVARJGUHL-UHFFFAOYSA-N 1 2 353.422 3.189 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000464820363 502105495 /nfs/dbraw/zinc/10/54/95/502105495.db2.gz FFVVLGXNQKPKBI-PZJWPPBQSA-N 1 2 358.445 3.168 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000464820363 502105498 /nfs/dbraw/zinc/10/54/98/502105498.db2.gz FFVVLGXNQKPKBI-PZJWPPBQSA-N 1 2 358.445 3.168 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCC(C)(C)CCC#N)c[nH+]2)CC1 ZINC000478873673 502108724 /nfs/dbraw/zinc/10/87/24/502108724.db2.gz LUJXAWRRNROJSF-UHFFFAOYSA-N 1 2 357.502 3.447 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940117 502245115 /nfs/dbraw/zinc/24/51/15/502245115.db2.gz JAFCNUPLPFUWHR-IEAZIUSSSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940117 502245120 /nfs/dbraw/zinc/24/51/20/502245120.db2.gz JAFCNUPLPFUWHR-IEAZIUSSSA-N 1 2 364.852 3.216 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461942752 502246241 /nfs/dbraw/zinc/24/62/41/502246241.db2.gz URQDEKYVMSTXIB-KYJSFNMBSA-N 1 2 360.889 3.420 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000465406880 502253420 /nfs/dbraw/zinc/25/34/20/502253420.db2.gz OAVVGROQVLGFOI-UHFFFAOYSA-N 1 2 373.869 3.300 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000465406880 502253425 /nfs/dbraw/zinc/25/34/25/502253425.db2.gz OAVVGROQVLGFOI-UHFFFAOYSA-N 1 2 373.869 3.300 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C(N)=O)cc1 ZINC000465409885 502253800 /nfs/dbraw/zinc/25/38/00/502253800.db2.gz WWJRRFGUUKGGHO-OAHLLOKOSA-N 1 2 365.767 3.129 20 30 FGEDLO C=C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475698256 502257174 /nfs/dbraw/zinc/25/71/74/502257174.db2.gz PRPYHLYEDWTHQO-UHFFFAOYSA-N 1 2 351.288 3.438 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)ccc1C#N ZINC000486814019 502273386 /nfs/dbraw/zinc/27/33/86/502273386.db2.gz GGJNXMUDFWOSNR-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(C#N)c1 ZINC000462025986 502279440 /nfs/dbraw/zinc/27/94/40/502279440.db2.gz LIKZKJCZMWGUNY-YOEHRIQHSA-N 1 2 350.466 3.287 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1F ZINC000483533250 502424292 /nfs/dbraw/zinc/42/42/92/502424292.db2.gz YTUNUJAQLTXJQN-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1F ZINC000483533250 502424298 /nfs/dbraw/zinc/42/42/98/502424298.db2.gz YTUNUJAQLTXJQN-NRFANRHFSA-N 1 2 363.436 3.247 20 30 FGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)c(F)c1 ZINC000483582961 502437264 /nfs/dbraw/zinc/43/72/64/502437264.db2.gz MXKXOOJAGANHJM-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)c(F)c1 ZINC000483582961 502437267 /nfs/dbraw/zinc/43/72/67/502437267.db2.gz MXKXOOJAGANHJM-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469515287 502448004 /nfs/dbraw/zinc/44/80/04/502448004.db2.gz KMDCASNYDWUCRF-HNNXBMFYSA-N 1 2 369.387 3.244 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469515287 502448010 /nfs/dbraw/zinc/44/80/10/502448010.db2.gz KMDCASNYDWUCRF-HNNXBMFYSA-N 1 2 369.387 3.244 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000462464578 502449036 /nfs/dbraw/zinc/44/90/36/502449036.db2.gz PUIHRKKIQHCJAM-UHFFFAOYSA-N 1 2 351.425 3.476 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000462464578 502449038 /nfs/dbraw/zinc/44/90/38/502449038.db2.gz PUIHRKKIQHCJAM-UHFFFAOYSA-N 1 2 351.425 3.476 20 30 FGEDLO CO[C@]1(C)CCCN(c2cc(C)[nH+]c(N3CCC[C@@](C)(OC)C3)c2C#N)C1 ZINC000596223203 506319111 /nfs/dbraw/zinc/31/91/11/506319111.db2.gz OKSGHPVPJDDBFW-NHCUHLMSSA-N 1 2 372.513 3.272 20 30 FGEDLO CO[C@]1(C)CCCN(c2[nH+]c(C)cc(N3CCC[C@](C)(OC)C3)c2C#N)C1 ZINC000596223202 506319343 /nfs/dbraw/zinc/31/93/43/506319343.db2.gz OKSGHPVPJDDBFW-LEWJYISDSA-N 1 2 372.513 3.272 20 30 FGEDLO C=CCCC1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1 ZINC000476916977 502620476 /nfs/dbraw/zinc/62/04/76/502620476.db2.gz VLWQOZYNQGAAAH-UHFFFAOYSA-N 1 2 355.482 3.036 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000473567420 502639482 /nfs/dbraw/zinc/63/94/82/502639482.db2.gz GXHOGTMJXMALNG-UTKZUKDTSA-N 1 2 360.498 3.129 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C[C@H](C)N1CC#N ZINC000602848543 506325668 /nfs/dbraw/zinc/32/56/68/506325668.db2.gz GRUDIMCKLZVOTK-IYBDPMFKSA-N 1 2 361.449 3.308 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C[C@H](C)N1CC#N ZINC000602848543 506325673 /nfs/dbraw/zinc/32/56/73/506325673.db2.gz GRUDIMCKLZVOTK-IYBDPMFKSA-N 1 2 361.449 3.308 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CCN1CC(F)F ZINC000481124406 502760393 /nfs/dbraw/zinc/76/03/93/502760393.db2.gz YUCZNOJKISKGBE-AWEZNQCLSA-N 1 2 372.257 3.482 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCN1CC(F)F ZINC000481124406 502760397 /nfs/dbraw/zinc/76/03/97/502760397.db2.gz YUCZNOJKISKGBE-AWEZNQCLSA-N 1 2 372.257 3.482 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1C ZINC000485066160 502812435 /nfs/dbraw/zinc/81/24/35/502812435.db2.gz GDTGSBBPJYLKCX-UHFFFAOYSA-N 1 2 365.477 3.237 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1C ZINC000485066160 502812438 /nfs/dbraw/zinc/81/24/38/502812438.db2.gz GDTGSBBPJYLKCX-UHFFFAOYSA-N 1 2 365.477 3.237 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000500582687 502819898 /nfs/dbraw/zinc/81/98/98/502819898.db2.gz AOBUZGFVUSXUAV-XYPHTWIQSA-N 1 2 354.841 3.188 20 30 FGEDLO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000488951029 502846027 /nfs/dbraw/zinc/84/60/27/502846027.db2.gz IBPMQXRKYVEQRU-MOPGFXCFSA-N 1 2 369.509 3.050 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)CC1 ZINC000596278631 506338956 /nfs/dbraw/zinc/33/89/56/506338956.db2.gz PYGSLPFGZOMMPG-GOSISDBHSA-N 1 2 363.465 3.189 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)CC1 ZINC000596278631 506338961 /nfs/dbraw/zinc/33/89/61/506338961.db2.gz PYGSLPFGZOMMPG-GOSISDBHSA-N 1 2 363.465 3.189 20 30 FGEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000489431185 502955563 /nfs/dbraw/zinc/95/55/63/502955563.db2.gz PVLOYFDVLATSLQ-AWEZNQCLSA-N 1 2 358.301 3.263 20 30 FGEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000489431185 502955565 /nfs/dbraw/zinc/95/55/65/502955565.db2.gz PVLOYFDVLATSLQ-AWEZNQCLSA-N 1 2 358.301 3.263 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000489698593 503013985 /nfs/dbraw/zinc/01/39/85/503013985.db2.gz UJFWKTNPJNHTRB-QZTJIDSGSA-N 1 2 372.481 3.374 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000489698593 503013987 /nfs/dbraw/zinc/01/39/87/503013987.db2.gz UJFWKTNPJNHTRB-QZTJIDSGSA-N 1 2 372.481 3.374 20 30 FGEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000506267405 503082471 /nfs/dbraw/zinc/08/24/71/503082471.db2.gz DFWCEPNQKNUAFT-UHFFFAOYSA-N 1 2 373.884 3.020 20 30 FGEDLO C=CCn1cccc1C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000490087261 503107068 /nfs/dbraw/zinc/10/70/68/503107068.db2.gz ZITSNTVAHZSTNW-UHFFFAOYSA-N 1 2 371.485 3.098 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501994032 503122623 /nfs/dbraw/zinc/12/26/23/503122623.db2.gz IUPLMRXOZVOARG-QGZVFWFLSA-N 1 2 352.482 3.044 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501994032 503122628 /nfs/dbraw/zinc/12/26/28/503122628.db2.gz IUPLMRXOZVOARG-QGZVFWFLSA-N 1 2 352.482 3.044 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)nc1 ZINC000506479574 503123067 /nfs/dbraw/zinc/12/30/67/503123067.db2.gz XHOIZJQOCYYRLE-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c1 ZINC000506631818 503146259 /nfs/dbraw/zinc/14/62/59/503146259.db2.gz KKYLEGPIKHNVRI-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000506688491 503156160 /nfs/dbraw/zinc/15/61/60/503156160.db2.gz GVMRQZFMSCNXGK-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000506690368 503156445 /nfs/dbraw/zinc/15/64/45/503156445.db2.gz PPJSYYIEOUTPEL-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929031 506356282 /nfs/dbraw/zinc/35/62/82/506356282.db2.gz TVAVOQUNCYNMRG-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929031 506356284 /nfs/dbraw/zinc/35/62/84/506356284.db2.gz TVAVOQUNCYNMRG-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000502493581 503210834 /nfs/dbraw/zinc/21/08/34/503210834.db2.gz FDJWAHACPNKYTF-QGZVFWFLSA-N 1 2 363.383 3.201 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000502493581 503210838 /nfs/dbraw/zinc/21/08/38/503210838.db2.gz FDJWAHACPNKYTF-QGZVFWFLSA-N 1 2 363.383 3.201 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000507245146 503258731 /nfs/dbraw/zinc/25/87/31/503258731.db2.gz ZWWKHVGUBMNZOC-IBGZPJMESA-N 1 2 369.852 3.396 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000507245146 503258734 /nfs/dbraw/zinc/25/87/34/503258734.db2.gz ZWWKHVGUBMNZOC-IBGZPJMESA-N 1 2 369.852 3.396 20 30 FGEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)CCc1ccco1 ZINC000491270341 503292900 /nfs/dbraw/zinc/29/29/00/503292900.db2.gz HJUBTLGFQXPZPO-UHFFFAOYSA-N 1 2 351.443 3.313 20 30 FGEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)CCc1ccco1 ZINC000491270341 503292903 /nfs/dbraw/zinc/29/29/03/503292903.db2.gz HJUBTLGFQXPZPO-UHFFFAOYSA-N 1 2 351.443 3.313 20 30 FGEDLO C[N@H+](CCOc1ccc(Br)cc1)Cc1nc(C#N)cs1 ZINC000515334925 503317084 /nfs/dbraw/zinc/31/70/84/503317084.db2.gz RWFQHAFSZHNTPK-UHFFFAOYSA-N 1 2 352.257 3.288 20 30 FGEDLO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(C#N)cs1 ZINC000515334925 503317091 /nfs/dbraw/zinc/31/70/91/503317091.db2.gz RWFQHAFSZHNTPK-UHFFFAOYSA-N 1 2 352.257 3.288 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)s1 ZINC000507822243 503374651 /nfs/dbraw/zinc/37/46/51/503374651.db2.gz CMQFUSLVKJJTDE-AWEZNQCLSA-N 1 2 371.510 3.497 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977684 506372004 /nfs/dbraw/zinc/37/20/04/506372004.db2.gz FRJFPKUKVYSBLR-SMDDNHRTSA-N 1 2 370.316 3.093 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977684 506372010 /nfs/dbraw/zinc/37/20/10/506372010.db2.gz FRJFPKUKVYSBLR-SMDDNHRTSA-N 1 2 370.316 3.093 20 30 FGEDLO N#Cc1cc(NC(=O)Cc2cn3ccccc3[nH+]2)ccc1OCC(F)(F)F ZINC000516109150 503447838 /nfs/dbraw/zinc/44/78/38/503447838.db2.gz HQBXRMULXCDDCJ-UHFFFAOYSA-N 1 2 374.322 3.328 20 30 FGEDLO C=CCc1ccc(OCC(=O)NCc2cn3ccc(C)cc3[nH+]2)c(OC)c1 ZINC000516146879 503455829 /nfs/dbraw/zinc/45/58/29/503455829.db2.gz PQAABHFYDYINBH-UHFFFAOYSA-N 1 2 365.433 3.075 20 30 FGEDLO C=CCOCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508286855 503468265 /nfs/dbraw/zinc/46/82/65/503468265.db2.gz HVQHPYIMJPOGOQ-SFHVURJKSA-N 1 2 360.498 3.101 20 30 FGEDLO C=CCOCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508286855 503468267 /nfs/dbraw/zinc/46/82/67/503468267.db2.gz HVQHPYIMJPOGOQ-SFHVURJKSA-N 1 2 360.498 3.101 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000503839343 503477500 /nfs/dbraw/zinc/47/75/00/503477500.db2.gz JORXRYHBGRNSPO-UHFFFAOYSA-N 1 2 366.461 3.088 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000512194017 503482362 /nfs/dbraw/zinc/48/23/62/503482362.db2.gz JUHNCBAWCOZSOA-TVKQPGBESA-N 1 2 362.514 3.479 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000512194017 503482363 /nfs/dbraw/zinc/48/23/63/503482363.db2.gz JUHNCBAWCOZSOA-TVKQPGBESA-N 1 2 362.514 3.479 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512217832 503489723 /nfs/dbraw/zinc/48/97/23/503489723.db2.gz HALXCWWUEHMATM-FXAWDEMLSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512217832 503489728 /nfs/dbraw/zinc/48/97/28/503489728.db2.gz HALXCWWUEHMATM-FXAWDEMLSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512230346 503493235 /nfs/dbraw/zinc/49/32/35/503493235.db2.gz VFURYFFPCDCLOB-MRXNPFEDSA-N 1 2 374.456 3.037 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512230346 503493239 /nfs/dbraw/zinc/49/32/39/503493239.db2.gz VFURYFFPCDCLOB-MRXNPFEDSA-N 1 2 374.456 3.037 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)CC2 ZINC000599211162 506375359 /nfs/dbraw/zinc/37/53/59/506375359.db2.gz RLFNYAXNODQODD-LJQANCHMSA-N 1 2 350.466 3.310 20 30 FGEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000512624627 503597892 /nfs/dbraw/zinc/59/78/92/503597892.db2.gz KVUDMXNQIBODHT-UHFFFAOYSA-N 1 2 352.781 3.415 20 30 FGEDLO CCn1cc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)C)cn1 ZINC000593083071 506383381 /nfs/dbraw/zinc/38/33/81/506383381.db2.gz YOHRQBSABZGPIS-UHFFFAOYSA-N 1 2 359.861 3.277 20 30 FGEDLO CCn1cc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C(C)C)cn1 ZINC000593083071 506383389 /nfs/dbraw/zinc/38/33/89/506383389.db2.gz YOHRQBSABZGPIS-UHFFFAOYSA-N 1 2 359.861 3.277 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000512822485 503640400 /nfs/dbraw/zinc/64/04/00/503640400.db2.gz RBOUBZWVVDIPGI-GOSISDBHSA-N 1 2 369.490 3.074 20 30 FGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000546211797 503672840 /nfs/dbraw/zinc/67/28/40/503672840.db2.gz GAMTUVKPCGEYAK-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO CC1CCC(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000532958595 503675496 /nfs/dbraw/zinc/67/54/96/503675496.db2.gz OEPJZUJNQCVMQD-PKUWUEBNSA-N 1 2 355.482 3.144 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)c1C#N ZINC000537088500 503798233 /nfs/dbraw/zinc/79/82/33/503798233.db2.gz MLVWCMMSRNEDEZ-GFCCVEGCSA-N 1 2 372.396 3.352 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000517751083 503825102 /nfs/dbraw/zinc/82/51/02/503825102.db2.gz FXXSWJSVYVLYFN-HNNXBMFYSA-N 1 2 361.854 3.365 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000517751083 503825107 /nfs/dbraw/zinc/82/51/07/503825107.db2.gz FXXSWJSVYVLYFN-HNNXBMFYSA-N 1 2 361.854 3.365 20 30 FGEDLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C[C@H](C)C#N ZINC000533402094 503833091 /nfs/dbraw/zinc/83/30/91/503833091.db2.gz WRLWGTBIJWJOOT-CHWSQXEVSA-N 1 2 357.527 3.422 20 30 FGEDLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C[C@H](C)C#N ZINC000533402094 503833093 /nfs/dbraw/zinc/83/30/93/503833093.db2.gz WRLWGTBIJWJOOT-CHWSQXEVSA-N 1 2 357.527 3.422 20 30 FGEDLO N#CCC1CC[NH+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000541022616 503978568 /nfs/dbraw/zinc/97/85/68/503978568.db2.gz ANIFURZPKSNLHN-UHFFFAOYSA-N 1 2 361.294 3.393 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000541279029 504072714 /nfs/dbraw/zinc/07/27/14/504072714.db2.gz NHFXFMJLOMNYRJ-UHFFFAOYSA-N 1 2 374.847 3.385 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000544467294 504144594 /nfs/dbraw/zinc/14/45/94/504144594.db2.gz YWKBQZMPRDNQLX-AVYPCKFXSA-N 1 2 354.454 3.435 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C#N ZINC000534469665 504151162 /nfs/dbraw/zinc/15/11/62/504151162.db2.gz LBHVKCSCSKIGPB-IYJVBRSBSA-N 1 2 370.474 3.275 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C#N ZINC000534469665 504151165 /nfs/dbraw/zinc/15/11/65/504151165.db2.gz LBHVKCSCSKIGPB-IYJVBRSBSA-N 1 2 370.474 3.275 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N(CCC#N)CCC(C)C)c2)cc[nH+]1 ZINC000541664489 504215021 /nfs/dbraw/zinc/21/50/21/504215021.db2.gz JSFAQNHDCMPGTD-UHFFFAOYSA-N 1 2 365.481 3.221 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000531204691 504226760 /nfs/dbraw/zinc/22/67/60/504226760.db2.gz LMVWCMFAMBJAKZ-MOPGFXCFSA-N 1 2 351.454 3.145 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H](C)O1 ZINC000531842085 504442503 /nfs/dbraw/zinc/44/25/03/504442503.db2.gz BCVYUHKYCJIWGD-WBVHZDCISA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H](C)O1 ZINC000531842085 504442505 /nfs/dbraw/zinc/44/25/05/504442505.db2.gz BCVYUHKYCJIWGD-WBVHZDCISA-N 1 2 363.889 3.394 20 30 FGEDLO N#CC1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CCCCC1 ZINC000548437678 504445112 /nfs/dbraw/zinc/44/51/12/504445112.db2.gz BTPWEQUVEITCAF-UHFFFAOYSA-N 1 2 366.387 3.223 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Br)c1 ZINC000535590460 504480783 /nfs/dbraw/zinc/48/07/83/504480783.db2.gz XDXUXBPWOVNDFK-DLBZAZTESA-N 1 2 364.287 3.376 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000531988532 504495668 /nfs/dbraw/zinc/49/56/68/504495668.db2.gz VKBZFMGSLCJUQO-AWEZNQCLSA-N 1 2 364.314 3.295 20 30 FGEDLO Cc1ccc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(C)[nH+]1 ZINC000529015522 504495719 /nfs/dbraw/zinc/49/57/19/504495719.db2.gz ZFZKFSLUHJXOBA-UHFFFAOYSA-N 1 2 350.422 3.398 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000548630520 504502361 /nfs/dbraw/zinc/50/23/61/504502361.db2.gz NNGHRMOMPNLMFN-HXUWFJFHSA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000548630520 504502365 /nfs/dbraw/zinc/50/23/65/504502365.db2.gz NNGHRMOMPNLMFN-HXUWFJFHSA-N 1 2 352.434 3.043 20 30 FGEDLO N#Cc1ccc(C2(NC(=O)Nc3ccn4cc[nH+]c4c3)CCOCC2)cc1 ZINC000529091905 504530791 /nfs/dbraw/zinc/53/07/91/504530791.db2.gz IEBONLXVILFRCB-UHFFFAOYSA-N 1 2 361.405 3.033 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1 ZINC000539377538 504546836 /nfs/dbraw/zinc/54/68/36/504546836.db2.gz SRSNLFZEMMUHNY-QGZVFWFLSA-N 1 2 352.369 3.225 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000548792274 504569397 /nfs/dbraw/zinc/56/93/97/504569397.db2.gz UKNAGCKGADFVQN-UHFFFAOYSA-N 1 2 357.255 3.296 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3Br)CC2)cc1 ZINC000521085721 504646871 /nfs/dbraw/zinc/64/68/71/504646871.db2.gz AREHJJLRNMPHJO-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000532490040 504668116 /nfs/dbraw/zinc/66/81/16/504668116.db2.gz OKMAGEYXULBTDC-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000532490040 504668121 /nfs/dbraw/zinc/66/81/21/504668121.db2.gz OKMAGEYXULBTDC-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000539819561 504701141 /nfs/dbraw/zinc/70/11/41/504701141.db2.gz HOKAKNDDMBUDPD-CPJLOUKISA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000539819561 504701145 /nfs/dbraw/zinc/70/11/45/504701145.db2.gz HOKAKNDDMBUDPD-CPJLOUKISA-N 1 2 354.475 3.090 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)c1 ZINC000532608076 504709099 /nfs/dbraw/zinc/70/90/99/504709099.db2.gz VXQGECVMHJYKHS-UHFFFAOYSA-N 1 2 368.452 3.012 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000532609952 504709571 /nfs/dbraw/zinc/70/95/71/504709571.db2.gz DFSCANNRYVVDAW-UHFFFAOYSA-N 1 2 370.431 3.419 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000536426636 504731074 /nfs/dbraw/zinc/73/10/74/504731074.db2.gz LBWBNJJTPWGFNN-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000536426636 504731081 /nfs/dbraw/zinc/73/10/81/504731081.db2.gz LBWBNJJTPWGFNN-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO Cc1ccnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000543137096 504738160 /nfs/dbraw/zinc/73/81/60/504738160.db2.gz MMYFDNOODJSTRD-ZWKOTPCHSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000543137096 504738164 /nfs/dbraw/zinc/73/81/64/504738164.db2.gz MMYFDNOODJSTRD-ZWKOTPCHSA-N 1 2 356.857 3.399 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532730925 504747300 /nfs/dbraw/zinc/74/73/00/504747300.db2.gz MQFHDNGNFCFJDL-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000532730925 504747303 /nfs/dbraw/zinc/74/73/03/504747303.db2.gz MQFHDNGNFCFJDL-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO CCc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])cc3C#N)ccc2n1C1CC1 ZINC000549258004 504775539 /nfs/dbraw/zinc/77/55/39/504775539.db2.gz YLGOULNGUKDTBX-UHFFFAOYSA-N 1 2 362.393 3.142 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000562609946 504878000 /nfs/dbraw/zinc/87/80/00/504878000.db2.gz JSCXODWSZARFSI-KDOFPFPSSA-N 1 2 365.437 3.014 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000549932485 504938411 /nfs/dbraw/zinc/93/84/11/504938411.db2.gz UCJBTNOZEUKSKG-FQEVSTJZSA-N 1 2 355.482 3.124 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000549932485 504938415 /nfs/dbraw/zinc/93/84/15/504938415.db2.gz UCJBTNOZEUKSKG-FQEVSTJZSA-N 1 2 355.482 3.124 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000553635606 504969227 /nfs/dbraw/zinc/96/92/27/504969227.db2.gz SGOANHNRSQDNIQ-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO N#C[C@H]1CC[C@@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000563031793 505027064 /nfs/dbraw/zinc/02/70/64/505027064.db2.gz QXUWGGHSMGUFIA-MAUKXSAKSA-N 1 2 371.872 3.441 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000560389671 505068485 /nfs/dbraw/zinc/06/84/85/505068485.db2.gz VSAIOLJRJVSCOO-FEHORTKBSA-N 1 2 373.497 3.151 20 30 FGEDLO CC(C)(C#N)CCS(=O)(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000563225010 505080953 /nfs/dbraw/zinc/08/09/53/505080953.db2.gz NRWIGHDFRWBBGL-UHFFFAOYSA-N 1 2 370.478 3.283 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000566306056 505140202 /nfs/dbraw/zinc/14/02/02/505140202.db2.gz DZHFVOCYNKTJFR-QZTJIDSGSA-N 1 2 357.797 3.428 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000566306056 505140203 /nfs/dbraw/zinc/14/02/03/505140203.db2.gz DZHFVOCYNKTJFR-QZTJIDSGSA-N 1 2 357.797 3.428 20 30 FGEDLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566308926 505140991 /nfs/dbraw/zinc/14/09/91/505140991.db2.gz LHRGFIHUEQGPKI-HRAATJIYSA-N 1 2 351.450 3.081 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1C ZINC000551086099 505155120 /nfs/dbraw/zinc/15/51/20/505155120.db2.gz ISVVYMIOHFMMOP-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccccc1C ZINC000551086099 505155122 /nfs/dbraw/zinc/15/51/22/505155122.db2.gz ISVVYMIOHFMMOP-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000566428290 505172994 /nfs/dbraw/zinc/17/29/94/505172994.db2.gz DCIWBJZWAYHYDB-SFHVURJKSA-N 1 2 363.465 3.245 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000566597690 505217864 /nfs/dbraw/zinc/21/78/64/505217864.db2.gz QVLAOPKFBASROR-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000566724444 505255390 /nfs/dbraw/zinc/25/53/90/505255390.db2.gz LSFIVRFTZHWFJK-RBUKOAKNSA-N 1 2 351.475 3.068 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2)CC1 ZINC000566803998 505277205 /nfs/dbraw/zinc/27/72/05/505277205.db2.gz WSKRRCOHXWPCMT-UHFFFAOYSA-N 1 2 356.429 3.417 20 30 FGEDLO N#Cc1ccc(OCC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000552116789 505405508 /nfs/dbraw/zinc/40/55/08/505405508.db2.gz PRXRRXFVXXQQFT-UHFFFAOYSA-N 1 2 374.444 3.295 20 30 FGEDLO C=CCCn1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)nn1 ZINC000567380642 505446325 /nfs/dbraw/zinc/44/63/25/505446325.db2.gz NGZSSECKTWKRQG-UHFFFAOYSA-N 1 2 362.437 3.306 20 30 FGEDLO Cc1cccn2cc(Cc3noc(-c4cc(C#N)cc(N(C)C)c4)n3)[nH+]c12 ZINC000567529338 505488986 /nfs/dbraw/zinc/48/89/86/505488986.db2.gz OBIQHFWLQSKFNJ-UHFFFAOYSA-N 1 2 358.405 3.221 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000564711217 505499169 /nfs/dbraw/zinc/49/91/69/505499169.db2.gz ZKJAEFNUTFMZIK-UHFFFAOYSA-N 1 2 352.413 3.250 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@@H](C)O1 ZINC000567804114 505564588 /nfs/dbraw/zinc/56/45/88/505564588.db2.gz OUVYABHGLJJWHG-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000588978663 506401853 /nfs/dbraw/zinc/40/18/53/506401853.db2.gz YGJDYRNMRMIEIJ-UHFFFAOYSA-N 1 2 370.280 3.185 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)c2ccccc2c1 ZINC000593153303 506427391 /nfs/dbraw/zinc/42/73/91/506427391.db2.gz UYVYTVNUZWYLQG-KRWDZBQOSA-N 1 2 360.255 3.176 20 30 FGEDLO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153145 506427860 /nfs/dbraw/zinc/42/78/60/506427860.db2.gz LBXDMLNYJHEGLN-DJJJIMSYSA-N 1 2 359.857 3.221 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000599399756 506441817 /nfs/dbraw/zinc/44/18/17/506441817.db2.gz YQXCTTHQAOQJQG-FZMZJTMJSA-N 1 2 363.248 3.442 20 30 FGEDLO Cc1cc(N2C[C@H](C)OC(C)(C)C2)c(C#N)c(N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC000589108597 506444123 /nfs/dbraw/zinc/44/41/23/506444123.db2.gz GFGZLAMLJIDGDX-JKSUJKDBSA-N 1 2 372.513 3.269 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603232427 506462262 /nfs/dbraw/zinc/46/22/62/506462262.db2.gz FDLOCBCEOQXCHS-SFHVURJKSA-N 1 2 372.476 3.081 20 30 FGEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603234691 506464210 /nfs/dbraw/zinc/46/42/10/506464210.db2.gz POXKJLFBOLABCX-UHFFFAOYSA-N 1 2 364.453 3.085 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000589194390 506476722 /nfs/dbraw/zinc/47/67/22/506476722.db2.gz KJBUROFBMMMJBV-UHFFFAOYSA-N 1 2 356.385 3.431 20 30 FGEDLO CC(C)C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(=O)[O-] ZINC000596656247 506514137 /nfs/dbraw/zinc/51/41/37/506514137.db2.gz IDMDRMQMKFDWPQ-IBGZPJMESA-N 1 2 357.498 3.249 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@]34CCCC[C@H]3C4(F)F)CC2)cc1 ZINC000596658628 506516421 /nfs/dbraw/zinc/51/64/21/506516421.db2.gz YULARHASJVBMPI-UYAOXDASSA-N 1 2 373.447 3.418 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)c1 ZINC000596663152 506518261 /nfs/dbraw/zinc/51/82/61/506518261.db2.gz ZRHZFENYORDSGL-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000603550974 506552897 /nfs/dbraw/zinc/55/28/97/506552897.db2.gz QXPKNSLFCXLDNZ-LJQANCHMSA-N 1 2 364.449 3.056 20 30 FGEDLO CN(C)c1c[nH+]ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000612391655 506558866 /nfs/dbraw/zinc/55/88/66/506558866.db2.gz LRCHEDZJAZYKNZ-UHFFFAOYSA-N 1 2 372.428 3.272 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(Cc3cccc(F)c3)no1)C2 ZINC000599677381 506572461 /nfs/dbraw/zinc/57/24/61/506572461.db2.gz GNXLTJGFLIWVNM-UHFFFAOYSA-N 1 2 362.408 3.424 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(Cc3cccc(F)c3)no1)C2 ZINC000599677381 506572462 /nfs/dbraw/zinc/57/24/62/506572462.db2.gz GNXLTJGFLIWVNM-UHFFFAOYSA-N 1 2 362.408 3.424 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000593387283 506592476 /nfs/dbraw/zinc/59/24/76/506592476.db2.gz WYNLJPLUWUYPKT-SJORKVTESA-N 1 2 362.424 3.093 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000593387283 506592479 /nfs/dbraw/zinc/59/24/79/506592479.db2.gz WYNLJPLUWUYPKT-SJORKVTESA-N 1 2 362.424 3.093 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000593413065 506607521 /nfs/dbraw/zinc/60/75/21/506607521.db2.gz UGEHCYBBQRXPAP-OKZBNKHCSA-N 1 2 351.454 3.085 20 30 FGEDLO N#CC1(c2ccc(C[N@H+]3CCN(Cc4cccc(F)c4)C(=O)C3)cc2)CC1 ZINC000597015437 506732270 /nfs/dbraw/zinc/73/22/70/506732270.db2.gz ZVKHNULDYMNQFU-UHFFFAOYSA-N 1 2 363.436 3.225 20 30 FGEDLO N#CC1(c2ccc(C[N@@H+]3CCN(Cc4cccc(F)c4)C(=O)C3)cc2)CC1 ZINC000597015437 506732279 /nfs/dbraw/zinc/73/22/79/506732279.db2.gz ZVKHNULDYMNQFU-UHFFFAOYSA-N 1 2 363.436 3.225 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593965914 506855335 /nfs/dbraw/zinc/85/53/35/506855335.db2.gz ZFVYPVNCKCIMCP-QGZVFWFLSA-N 1 2 362.477 3.439 20 30 FGEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C1CCCCCC1 ZINC000594047912 506906456 /nfs/dbraw/zinc/90/64/56/506906456.db2.gz QDVIYLVRIFLJGN-HXUWFJFHSA-N 1 2 371.481 3.379 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564121 506924324 /nfs/dbraw/zinc/92/43/24/506924324.db2.gz JIZWQXMXWHOLNG-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO CC[C@H](C#N)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000594086487 506932794 /nfs/dbraw/zinc/93/27/94/506932794.db2.gz VWKQBFLYWANWHL-HZPDHXFCSA-N 1 2 364.287 3.347 20 30 FGEDLO Cc1cc(NC(=O)CC2(C#N)CCOCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000597486659 506975519 /nfs/dbraw/zinc/97/55/19/506975519.db2.gz LHPBQBTYWGDTFY-INIZCTEOSA-N 1 2 356.470 3.418 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000583942600 507062722 /nfs/dbraw/zinc/06/27/22/507062722.db2.gz JDKLMJMKWIZOMB-LBPRGKRZSA-N 1 2 374.466 3.048 20 30 FGEDLO N#CC1(C[C@H](O)CNc2ccc(Oc3cc[nH+]cc3)cc2)CCOCC1 ZINC000600741861 507094077 /nfs/dbraw/zinc/09/40/77/507094077.db2.gz HLMUSVMBTXVHKX-KRWDZBQOSA-N 1 2 353.422 3.357 20 30 FGEDLO N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)CC1 ZINC000594511768 507163612 /nfs/dbraw/zinc/16/36/12/507163612.db2.gz OJRNOCNNUQMSKA-OHTSDLOESA-N 1 2 351.454 3.150 20 30 FGEDLO CC(C)(C#N)c1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1 ZINC000594518594 507168092 /nfs/dbraw/zinc/16/80/92/507168092.db2.gz JUKVJLJPBRYSGJ-UHFFFAOYSA-N 1 2 362.477 3.032 20 30 FGEDLO CC(C)(C#N)c1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1 ZINC000594518594 507168098 /nfs/dbraw/zinc/16/80/98/507168098.db2.gz JUKVJLJPBRYSGJ-UHFFFAOYSA-N 1 2 362.477 3.032 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000610310605 507187245 /nfs/dbraw/zinc/18/72/45/507187245.db2.gz LHEXNIDPAMJPKL-UHFFFAOYSA-N 1 2 364.453 3.180 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1I ZINC000594713175 507248511 /nfs/dbraw/zinc/24/85/11/507248511.db2.gz YRFJYYWOBDLAAR-SNVBAGLBSA-N 1 2 373.625 3.478 20 30 FGEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000614175506 507395434 /nfs/dbraw/zinc/39/54/34/507395434.db2.gz QSISLIUPUFSMRB-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO COc1ccc2ncc(C#N)c(NCc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000591895323 507400511 /nfs/dbraw/zinc/40/05/11/507400511.db2.gz NWLFBXPAKPHCQI-UHFFFAOYSA-N 1 2 359.433 3.144 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)c1 ZINC000595290573 507449068 /nfs/dbraw/zinc/44/90/68/507449068.db2.gz MBXTYIQOJDHGNS-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO N#Cc1csc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592133191 507498788 /nfs/dbraw/zinc/49/87/88/507498788.db2.gz UGMGODOQCZYLJP-WKILWMFISA-N 1 2 372.450 3.229 20 30 FGEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592133191 507498792 /nfs/dbraw/zinc/49/87/92/507498792.db2.gz UGMGODOQCZYLJP-WKILWMFISA-N 1 2 372.450 3.229 20 30 FGEDLO C=CCCSCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000595454257 507506267 /nfs/dbraw/zinc/50/62/67/507506267.db2.gz GAPWNYAWTLQSOR-UHFFFAOYSA-N 1 2 362.543 3.426 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCc1ccc(C#N)cc1 ZINC000595457148 507507078 /nfs/dbraw/zinc/50/70/78/507507078.db2.gz AHOPURIUSSVNLO-UHFFFAOYSA-N 1 2 361.449 3.148 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150582 507510435 /nfs/dbraw/zinc/51/04/35/507510435.db2.gz GYKHKHPUJOEAQS-QLJPJBMISA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150582 507510441 /nfs/dbraw/zinc/51/04/41/507510441.db2.gz GYKHKHPUJOEAQS-QLJPJBMISA-N 1 2 367.236 3.455 20 30 FGEDLO N#CCCCOc1cccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598677593 507549416 /nfs/dbraw/zinc/54/94/16/507549416.db2.gz POGLBFDELFICDO-FQEVSTJZSA-N 1 2 370.474 3.128 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612109 507590524 /nfs/dbraw/zinc/59/05/24/507590524.db2.gz SAEGBFYDAXHULM-HZPDHXFCSA-N 1 2 357.454 3.204 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612109 507590529 /nfs/dbraw/zinc/59/05/29/507590529.db2.gz SAEGBFYDAXHULM-HZPDHXFCSA-N 1 2 357.454 3.204 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613195 507591280 /nfs/dbraw/zinc/59/12/80/507591280.db2.gz ARIJMOLNVXSASH-SFHVURJKSA-N 1 2 365.481 3.362 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613195 507591282 /nfs/dbraw/zinc/59/12/82/507591282.db2.gz ARIJMOLNVXSASH-SFHVURJKSA-N 1 2 365.481 3.362 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)n2c1 ZINC000611276516 507600859 /nfs/dbraw/zinc/60/08/59/507600859.db2.gz FBKFXUGRGZAOOB-TXEJJXNPSA-N 1 2 362.277 3.379 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C3)n2c1 ZINC000611276516 507600864 /nfs/dbraw/zinc/60/08/64/507600864.db2.gz FBKFXUGRGZAOOB-TXEJJXNPSA-N 1 2 362.277 3.379 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000602129589 507603262 /nfs/dbraw/zinc/60/32/62/507603262.db2.gz QZMKQTMKTZQRAO-LEWJYISDSA-N 1 2 363.461 3.431 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000602129589 507603265 /nfs/dbraw/zinc/60/32/65/507603265.db2.gz QZMKQTMKTZQRAO-LEWJYISDSA-N 1 2 363.461 3.431 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665007 507609311 /nfs/dbraw/zinc/60/93/11/507609311.db2.gz KLWFURGRAYFCQA-HKUYNNGSSA-N 1 2 368.481 3.148 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665007 507609317 /nfs/dbraw/zinc/60/93/17/507609317.db2.gz KLWFURGRAYFCQA-HKUYNNGSSA-N 1 2 368.481 3.148 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(Br)c3)CC2)ccn1 ZINC000585756038 507618058 /nfs/dbraw/zinc/61/80/58/507618058.db2.gz UVGKWFFYGXOSIN-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cc1nn(-c2ccccc2)c(CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000611347591 507632378 /nfs/dbraw/zinc/63/23/78/507632378.db2.gz MDFDJPLRKRYXBK-JXFKEZNVSA-N 1 2 360.465 3.332 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711386 507643959 /nfs/dbraw/zinc/64/39/59/507643959.db2.gz FRAUCRCINLDLMC-HNNXBMFYSA-N 1 2 368.506 3.176 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711386 507643966 /nfs/dbraw/zinc/64/39/66/507643966.db2.gz FRAUCRCINLDLMC-HNNXBMFYSA-N 1 2 368.506 3.176 20 30 FGEDLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OCC ZINC000592524060 507694487 /nfs/dbraw/zinc/69/44/87/507694487.db2.gz UGXIBWURMQKMLW-SFHVURJKSA-N 1 2 352.862 3.378 20 30 FGEDLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OCC ZINC000592524060 507694496 /nfs/dbraw/zinc/69/44/96/507694496.db2.gz UGXIBWURMQKMLW-SFHVURJKSA-N 1 2 352.862 3.378 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1Cl ZINC000595822666 507702201 /nfs/dbraw/zinc/70/22/01/507702201.db2.gz ZRZJXBIHFYBMHW-UHFFFAOYSA-N 1 2 359.857 3.041 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1Cl ZINC000595822666 507702208 /nfs/dbraw/zinc/70/22/08/507702208.db2.gz ZRZJXBIHFYBMHW-UHFFFAOYSA-N 1 2 359.857 3.041 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844487 507710224 /nfs/dbraw/zinc/71/02/24/507710224.db2.gz UBADCJFMFVEACZ-AEFFLSMTSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844487 507710225 /nfs/dbraw/zinc/71/02/25/507710225.db2.gz UBADCJFMFVEACZ-AEFFLSMTSA-N 1 2 365.399 3.432 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CC(c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC000611516639 507717998 /nfs/dbraw/zinc/71/79/98/507717998.db2.gz XOKXQMSCYNRZQN-FQEVSTJZSA-N 1 2 371.444 3.029 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000611553354 507736227 /nfs/dbraw/zinc/73/62/27/507736227.db2.gz XIEWVAAJVYPBCA-FQEVSTJZSA-N 1 2 354.429 3.002 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)s1 ZINC000595913399 507741500 /nfs/dbraw/zinc/74/15/00/507741500.db2.gz TUVGIWXQKQIXDT-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)s1 ZINC000595913399 507741504 /nfs/dbraw/zinc/74/15/04/507741504.db2.gz TUVGIWXQKQIXDT-CYBMUJFWSA-N 1 2 359.426 3.320 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917444 507744563 /nfs/dbraw/zinc/74/45/63/507744563.db2.gz MLKBLIWNFVYGCV-ORAYPTAESA-N 1 2 360.408 3.203 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917444 507744572 /nfs/dbraw/zinc/74/45/72/507744572.db2.gz MLKBLIWNFVYGCV-ORAYPTAESA-N 1 2 360.408 3.203 20 30 FGEDLO COCC[N@@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000071226887 695957741 /nfs/dbraw/zinc/95/77/41/695957741.db2.gz CMSWAPIUVGVEEY-UHFFFAOYSA-N 1 2 353.260 3.274 20 30 FGEDLO COCC[N@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000071226887 695957742 /nfs/dbraw/zinc/95/77/42/695957742.db2.gz CMSWAPIUVGVEEY-UHFFFAOYSA-N 1 2 353.260 3.274 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000106067309 700506403 /nfs/dbraw/zinc/50/64/03/700506403.db2.gz YSHOQDDCVJBYIJ-GFCCVEGCSA-N 1 2 356.813 3.070 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000159012518 705207621 /nfs/dbraw/zinc/20/76/21/705207621.db2.gz KMYCJEIRYDVNBS-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO C=CCn1c(-c2cccs2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162458281 705296628 /nfs/dbraw/zinc/29/66/28/705296628.db2.gz XGSVFWZXLDPLNJ-ZDUSSCGKSA-N 1 2 350.513 3.254 20 30 FGEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162458281 705296630 /nfs/dbraw/zinc/29/66/30/705296630.db2.gz XGSVFWZXLDPLNJ-ZDUSSCGKSA-N 1 2 350.513 3.254 20 30 FGEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000193470272 712892390 /nfs/dbraw/zinc/89/23/90/712892390.db2.gz FLEKYADVXBPCGR-ZDUSSCGKSA-N 1 2 360.458 3.358 20 30 FGEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000193470272 712892393 /nfs/dbraw/zinc/89/23/93/712892393.db2.gz FLEKYADVXBPCGR-ZDUSSCGKSA-N 1 2 360.458 3.358 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373863577 713878250 /nfs/dbraw/zinc/87/82/50/713878250.db2.gz SEBRJPHRWJJDFZ-IRXDYDNUSA-N 1 2 361.804 3.427 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373863577 713878255 /nfs/dbraw/zinc/87/82/55/713878255.db2.gz SEBRJPHRWJJDFZ-IRXDYDNUSA-N 1 2 361.804 3.427 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373863573 713878316 /nfs/dbraw/zinc/87/83/16/713878316.db2.gz SEBRJPHRWJJDFZ-DLBZAZTESA-N 1 2 361.804 3.427 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373863573 713878318 /nfs/dbraw/zinc/87/83/18/713878318.db2.gz SEBRJPHRWJJDFZ-DLBZAZTESA-N 1 2 361.804 3.427 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000525272381 714338710 /nfs/dbraw/zinc/33/87/10/714338710.db2.gz YAAFGWXCPOJCJF-KRWDZBQOSA-N 1 2 363.933 3.443 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000525272381 714338711 /nfs/dbraw/zinc/33/87/11/714338711.db2.gz YAAFGWXCPOJCJF-KRWDZBQOSA-N 1 2 363.933 3.443 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784804 714870764 /nfs/dbraw/zinc/87/07/64/714870764.db2.gz UALJPXBVWWIQBK-LJQANCHMSA-N 1 2 357.889 3.073 20 30 FGEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1c(F)cc(F)c(F)c1F ZINC000635871655 717206106 /nfs/dbraw/zinc/20/61/06/717206106.db2.gz YPWFIJZIXXNDIZ-JTQLQIEISA-N 1 2 369.240 3.249 20 30 FGEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(Cl)cc1F ZINC000804419454 724514407 /nfs/dbraw/zinc/51/44/07/724514407.db2.gz NIIRXSRVKPTVLJ-INIZCTEOSA-N 1 2 354.772 3.164 20 30 FGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420921 724514942 /nfs/dbraw/zinc/51/49/42/724514942.db2.gz PRWCFYKVCHXOCJ-JLSDUUJJSA-N 1 2 366.864 3.159 20 30 FGEDLO C#C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)c1ccc(Cl)cc1F ZINC000804420921 724514945 /nfs/dbraw/zinc/51/49/45/724514945.db2.gz PRWCFYKVCHXOCJ-JLSDUUJJSA-N 1 2 366.864 3.159 20 30 FGEDLO COCC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000656266095 719386119 /nfs/dbraw/zinc/38/61/19/719386119.db2.gz CHJBIVHIWLLAIC-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000656266095 719386124 /nfs/dbraw/zinc/38/61/24/719386124.db2.gz CHJBIVHIWLLAIC-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782947622 724711326 /nfs/dbraw/zinc/71/13/26/724711326.db2.gz DDRYYFSNUJLVIU-UHFFFAOYSA-N 1 2 362.227 3.033 20 30 FGEDLO NC(=[NH+]OCc1noc2c1CCCC2)c1ccc(Br)cc1 ZINC000782949255 724711364 /nfs/dbraw/zinc/71/13/64/724711364.db2.gz FHVRCIKERYHWHB-UHFFFAOYSA-N 1 2 350.216 3.153 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)cc(F)c1O ZINC000783300405 724745724 /nfs/dbraw/zinc/74/57/24/724745724.db2.gz LUPCTHXNXMAELM-SECBINFHSA-N 1 2 350.191 3.411 20 30 FGEDLO Cc1nn(C)c2nc(Cl)c(C=NNc3cc[nH+]c4ccccc34)cc12 ZINC000730147662 722465562 /nfs/dbraw/zinc/46/55/62/722465562.db2.gz HVAPYOHNJCQJCU-UHFFFAOYSA-N 1 2 350.813 3.346 20 30 FGEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472438 722603815 /nfs/dbraw/zinc/60/38/15/722603815.db2.gz PKYFMFGBTZCTJV-RDJZCZTQSA-N 1 2 370.902 3.030 20 30 FGEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472438 722603817 /nfs/dbraw/zinc/60/38/17/722603817.db2.gz PKYFMFGBTZCTJV-RDJZCZTQSA-N 1 2 370.902 3.030 20 30 FGEDLO C=C(Br)C[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000753136995 722886595 /nfs/dbraw/zinc/88/65/95/722886595.db2.gz GNSSZVGXUWMHJM-ZDUSSCGKSA-N 1 2 374.348 3.267 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000753136995 722886597 /nfs/dbraw/zinc/88/65/97/722886597.db2.gz GNSSZVGXUWMHJM-ZDUSSCGKSA-N 1 2 374.348 3.267 20 30 FGEDLO Cc1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753929479 722918652 /nfs/dbraw/zinc/91/86/52/722918652.db2.gz PWNLQDSZIAWSHX-HOTGVXAUSA-N 1 2 356.861 3.028 20 30 FGEDLO COc1cccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cs2)c1 ZINC000753937531 722919097 /nfs/dbraw/zinc/91/90/97/722919097.db2.gz XWARZXZIQPRHLY-HZPDHXFCSA-N 1 2 355.467 3.013 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2SCc2ccccc2)C[N@@H+]1C1CC1 ZINC000753954536 722920133 /nfs/dbraw/zinc/92/01/33/722920133.db2.gz DYFMHFJYBNDNCS-LBPRGKRZSA-N 1 2 359.524 3.320 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2SCc2ccccc2)C[N@H+]1C1CC1 ZINC000753954536 722920136 /nfs/dbraw/zinc/92/01/36/722920136.db2.gz DYFMHFJYBNDNCS-LBPRGKRZSA-N 1 2 359.524 3.320 20 30 FGEDLO CCOc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753956910 722920246 /nfs/dbraw/zinc/92/02/46/722920246.db2.gz YJHYTPVRMWAJCV-LBPRGKRZSA-N 1 2 357.483 3.093 20 30 FGEDLO CCOc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753956910 722920248 /nfs/dbraw/zinc/92/02/48/722920248.db2.gz YJHYTPVRMWAJCV-LBPRGKRZSA-N 1 2 357.483 3.093 20 30 FGEDLO Brc1ccccc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755629222 722955167 /nfs/dbraw/zinc/95/51/67/722955167.db2.gz PKZNRLQEWYXEPT-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3nc(Cl)c4ccccc43)C2)nc1 ZINC000793589447 723452121 /nfs/dbraw/zinc/45/21/21/723452121.db2.gz HFAYYSJMQCQHHT-AWEZNQCLSA-N 1 2 353.813 3.067 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cn3nc(Cl)c4ccccc43)C2)nc1 ZINC000793589447 723452124 /nfs/dbraw/zinc/45/21/24/723452124.db2.gz HFAYYSJMQCQHHT-AWEZNQCLSA-N 1 2 353.813 3.067 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000794626788 723536522 /nfs/dbraw/zinc/53/65/22/723536522.db2.gz WERIFNFAQQSJIP-MRXNPFEDSA-N 1 2 359.474 3.211 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000794626788 723536523 /nfs/dbraw/zinc/53/65/23/723536523.db2.gz WERIFNFAQQSJIP-MRXNPFEDSA-N 1 2 359.474 3.211 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000766317162 723567970 /nfs/dbraw/zinc/56/79/70/723567970.db2.gz AFXOQIGDQJZKNM-ZWKOTPCHSA-N 1 2 365.905 3.318 20 30 FGEDLO C=CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000766317162 723567974 /nfs/dbraw/zinc/56/79/74/723567974.db2.gz AFXOQIGDQJZKNM-ZWKOTPCHSA-N 1 2 365.905 3.318 20 30 FGEDLO C[N@H+](CC(F)F)C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000805745747 725090751 /nfs/dbraw/zinc/09/07/51/725090751.db2.gz GMZQMYXIEYNKHX-UHFFFAOYSA-N 1 2 372.257 3.482 20 30 FGEDLO C[N@@H+](CC(F)F)C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000805745747 725090755 /nfs/dbraw/zinc/09/07/55/725090755.db2.gz GMZQMYXIEYNKHX-UHFFFAOYSA-N 1 2 372.257 3.482 20 30 FGEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830115 725099275 /nfs/dbraw/zinc/09/92/75/725099275.db2.gz XSWWTBSOHIPYMB-HOCLYGCPSA-N 1 2 356.388 3.455 20 30 FGEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830115 725099277 /nfs/dbraw/zinc/09/92/77/725099277.db2.gz XSWWTBSOHIPYMB-HOCLYGCPSA-N 1 2 356.388 3.455 20 30 FGEDLO C=CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806081344 725115121 /nfs/dbraw/zinc/11/51/21/725115121.db2.gz HWFFKKRTKBQSHE-MOPGFXCFSA-N 1 2 351.535 3.408 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(SC(F)F)cc2)n1 ZINC000789320997 725122212 /nfs/dbraw/zinc/12/22/12/725122212.db2.gz NEXJUHNYFCWUBA-UHFFFAOYSA-N 1 2 365.449 3.480 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(SC(F)F)cc2)n1 ZINC000789320997 725122213 /nfs/dbraw/zinc/12/22/13/725122213.db2.gz NEXJUHNYFCWUBA-UHFFFAOYSA-N 1 2 365.449 3.480 20 30 FGEDLO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298563 725393203 /nfs/dbraw/zinc/39/32/03/725393203.db2.gz XGHSCDSNUPHTOP-CVEARBPZSA-N 1 2 353.388 3.219 20 30 FGEDLO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812298563 725393204 /nfs/dbraw/zinc/39/32/04/725393204.db2.gz XGHSCDSNUPHTOP-CVEARBPZSA-N 1 2 353.388 3.219 20 30 FGEDLO Cc1nc(C#N)c(N[NH2+]C=C(CC(F)(F)F)NC(=O)OC(C)(C)C)o1 ZINC000814814170 727003401 /nfs/dbraw/zinc/00/34/01/727003401.db2.gz ZTOWJBZQSVBFPT-VIFPVBQESA-N 1 2 361.324 3.098 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000820737701 729023066 /nfs/dbraw/zinc/02/30/66/729023066.db2.gz JHWDPGMNPMPYLJ-WMLDXEAASA-N 1 2 360.820 3.397 20 30 FGEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000825017561 729367974 /nfs/dbraw/zinc/36/79/74/729367974.db2.gz UQVNDDQJRQYQMJ-WFASDCNBSA-N 1 2 360.255 3.453 20 30 FGEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845442566 730850569 /nfs/dbraw/zinc/85/05/69/730850569.db2.gz MREKNXAADJMQSN-ZYHUDNBSSA-N 1 2 365.220 3.489 20 30 FGEDLO CC(Cc1ccc(F)cc1Br)=NNCCCn1cc[nH+]c1 ZINC000848416348 731161926 /nfs/dbraw/zinc/16/19/26/731161926.db2.gz IHQJMDXAVJMJIE-UHFFFAOYSA-N 1 2 353.239 3.383 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000852752960 731629966 /nfs/dbraw/zinc/62/99/66/731629966.db2.gz SBBSATQNGNYBLF-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000852752960 731629967 /nfs/dbraw/zinc/62/99/67/731629967.db2.gz SBBSATQNGNYBLF-UHFFFAOYSA-N 1 2 370.272 3.032 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1CS(C)(=O)=O ZINC000853410780 731701002 /nfs/dbraw/zinc/70/10/02/731701002.db2.gz YNOBNGHKGYWSKT-UHFFFAOYSA-N 1 2 358.463 3.031 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985759 732174582 /nfs/dbraw/zinc/17/45/82/732174582.db2.gz IWQKPSGYBWQZHI-ZDUSSCGKSA-N 1 2 351.328 3.342 20 30 FGEDLO C#CC[C@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000858334905 732204765 /nfs/dbraw/zinc/20/47/65/732204765.db2.gz HWQHGZBZQGGMEI-MRXNPFEDSA-N 1 2 357.479 3.264 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866354335 733339170 /nfs/dbraw/zinc/33/91/70/733339170.db2.gz HIZVEYNPCKHDFY-UONOGXRCSA-N 1 2 358.463 3.469 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000867103450 733439984 /nfs/dbraw/zinc/43/99/84/733439984.db2.gz YHTOFKGCGHERGH-CVEARBPZSA-N 1 2 361.417 3.268 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000867103450 733439996 /nfs/dbraw/zinc/43/99/96/733439996.db2.gz YHTOFKGCGHERGH-CVEARBPZSA-N 1 2 361.417 3.268 20 30 FGEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000867680318 733507826 /nfs/dbraw/zinc/50/78/26/733507826.db2.gz HIFPRFDJPIVIBK-UHFFFAOYSA-N 1 2 365.499 3.118 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000876531801 736110449 /nfs/dbraw/zinc/11/04/49/736110449.db2.gz PLSCXGBCXVXUIT-QGZVFWFLSA-N 1 2 357.841 3.493 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000876531801 736110451 /nfs/dbraw/zinc/11/04/51/736110451.db2.gz PLSCXGBCXVXUIT-QGZVFWFLSA-N 1 2 357.841 3.493 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876736162 736137966 /nfs/dbraw/zinc/13/79/66/736137966.db2.gz SDUBFSVXYWSCAS-IUODEOHRSA-N 1 2 364.877 3.342 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876736162 736137968 /nfs/dbraw/zinc/13/79/68/736137968.db2.gz SDUBFSVXYWSCAS-IUODEOHRSA-N 1 2 364.877 3.342 20 30 FGEDLO CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000878051995 736763743 /nfs/dbraw/zinc/76/37/43/736763743.db2.gz SMTDYUNVONELQT-UHFFFAOYSA-N 1 2 364.511 3.005 20 30 FGEDLO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000879322400 736980810 /nfs/dbraw/zinc/98/08/10/736980810.db2.gz SKCGZWFHNUCIAZ-ARFHVFGLSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000879322400 736980811 /nfs/dbraw/zinc/98/08/11/736980811.db2.gz SKCGZWFHNUCIAZ-ARFHVFGLSA-N 1 2 361.511 3.376 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000884111375 737634563 /nfs/dbraw/zinc/63/45/63/737634563.db2.gz ITHYHEZMZFPJGD-ZFWWWQNUSA-N 1 2 350.484 3.271 20 30 FGEDLO N#CCCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC000886401320 739255063 /nfs/dbraw/zinc/25/50/63/739255063.db2.gz XMNGUAKLEICMQD-UHFFFAOYSA-N 1 2 369.368 3.295 20 30 FGEDLO C[NH+](C)[C@@H](C(=O)N1CCCc2nc(C#N)ccc21)c1cccc(Cl)c1 ZINC000892399258 739997272 /nfs/dbraw/zinc/99/72/72/739997272.db2.gz AZPIPSKTZKSDJV-GOSISDBHSA-N 1 2 354.841 3.189 20 30 FGEDLO FC1(F)[C@H]2C[N@H+](Cc3cncnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055052 742636737 /nfs/dbraw/zinc/63/67/37/742636737.db2.gz MGDZNMQADRGKPB-DTORHVGOSA-N 1 2 361.236 3.079 20 30 FGEDLO FC1(F)[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055052 742636740 /nfs/dbraw/zinc/63/67/40/742636740.db2.gz MGDZNMQADRGKPB-DTORHVGOSA-N 1 2 361.236 3.079 20 30 FGEDLO C#CC[NH+]1CCN(Cn2c3ccccc3nc2SCCC(C)C)CC1 ZINC000913058065 757441189 /nfs/dbraw/zinc/44/11/89/757441189.db2.gz MQEXMPVKWLBQRZ-UHFFFAOYSA-N 1 2 356.539 3.383 20 30 FGEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(N)cc1 ZINC000914700124 757823130 /nfs/dbraw/zinc/82/31/30/757823130.db2.gz SMDOQJCMMZNHAV-UHFFFAOYSA-N 1 2 357.357 3.398 20 30 FGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000914834943 757847986 /nfs/dbraw/zinc/84/79/86/757847986.db2.gz YAHUQTSUKZFDIU-UHFFFAOYSA-N 1 2 361.467 3.088 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ncco2)CC1 ZINC000931447690 760864094 /nfs/dbraw/zinc/86/40/94/760864094.db2.gz URWIRUUVRLQIBR-LBPRGKRZSA-N 1 2 358.829 3.406 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C#N)C3)sc2C1 ZINC000932155446 761069440 /nfs/dbraw/zinc/06/94/40/761069440.db2.gz FGPGTLJVOKRDKV-ZIAGYGMSSA-N 1 2 356.495 3.309 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](C#N)C3)sc2C1 ZINC000932155446 761069449 /nfs/dbraw/zinc/06/94/49/761069449.db2.gz FGPGTLJVOKRDKV-ZIAGYGMSSA-N 1 2 356.495 3.309 20 30 FGEDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933652039 761446572 /nfs/dbraw/zinc/44/65/72/761446572.db2.gz DFUKCVIQVCEFTH-CQSZACIVSA-N 1 2 360.479 3.073 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714281 761461884 /nfs/dbraw/zinc/46/18/84/761461884.db2.gz GRBQNYDFTBMUHG-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714281 761461891 /nfs/dbraw/zinc/46/18/91/761461891.db2.gz GRBQNYDFTBMUHG-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777421 761472310 /nfs/dbraw/zinc/47/23/10/761472310.db2.gz SINPPADFVNCAHC-LBPRGKRZSA-N 1 2 356.451 3.037 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777421 761472313 /nfs/dbraw/zinc/47/23/13/761472313.db2.gz SINPPADFVNCAHC-LBPRGKRZSA-N 1 2 356.451 3.037 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C(C)(C)C1 ZINC000977283871 763351997 /nfs/dbraw/zinc/35/19/97/763351997.db2.gz IGWVXYIYRUCFNQ-JZXOWHBKSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C(C)(C)C1 ZINC000977283871 763352012 /nfs/dbraw/zinc/35/20/12/763352012.db2.gz IGWVXYIYRUCFNQ-JZXOWHBKSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001027890402 766103465 /nfs/dbraw/zinc/10/34/65/766103465.db2.gz YTUQHKARSZYHGQ-GUDVDZBRSA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001027890402 766103467 /nfs/dbraw/zinc/10/34/67/766103467.db2.gz YTUQHKARSZYHGQ-GUDVDZBRSA-N 1 2 362.901 3.140 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001031679760 766182709 /nfs/dbraw/zinc/18/27/09/766182709.db2.gz IFODIODFKMMXCO-AEFFLSMTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC001032047075 766194593 /nfs/dbraw/zinc/19/45/93/766194593.db2.gz PEQYDISGAHJBCH-YJBOKZPZSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001046506863 766593107 /nfs/dbraw/zinc/59/31/07/766593107.db2.gz CNRXNQKNEALDRO-DAYGRLMNSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001046506863 766593113 /nfs/dbraw/zinc/59/31/13/766593113.db2.gz CNRXNQKNEALDRO-DAYGRLMNSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780566 766811215 /nfs/dbraw/zinc/81/12/15/766811215.db2.gz IFIWOYMNQQCDQK-YVSFHVDLSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049780566 766811227 /nfs/dbraw/zinc/81/12/27/766811227.db2.gz IFIWOYMNQQCDQK-YVSFHVDLSA-N 1 2 367.331 3.397 20 30 FGEDLO N#CCc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000579585350 505580604 /nfs/dbraw/zinc/58/06/04/505580604.db2.gz CPURXLWMWGUMIZ-UHFFFAOYSA-N 1 2 365.481 3.351 20 30 FGEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989425 505591192 /nfs/dbraw/zinc/59/11/92/505591192.db2.gz FZQSWPDAUGOEJZ-CANCMXDXSA-N 1 2 357.435 3.397 20 30 FGEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989425 505591195 /nfs/dbraw/zinc/59/11/95/505591195.db2.gz FZQSWPDAUGOEJZ-CANCMXDXSA-N 1 2 357.435 3.397 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000570932866 505615469 /nfs/dbraw/zinc/61/54/69/505615469.db2.gz OJHMOXXLOHPDCJ-JOCHJYFZSA-N 1 2 362.477 3.345 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000568259080 505653973 /nfs/dbraw/zinc/65/39/73/505653973.db2.gz IKWUKVJQWGAJCX-YQVWRLOYSA-N 1 2 351.454 3.233 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000574005556 505671346 /nfs/dbraw/zinc/67/13/46/505671346.db2.gz RORQFLLFEOHSEG-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)ccc1Br ZINC000057878467 493811744 /nfs/dbraw/zinc/81/17/44/493811744.db2.gz KXCQXFIIQNHJRL-GFCCVEGCSA-N 1 2 350.260 3.320 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000068396267 493812219 /nfs/dbraw/zinc/81/22/19/493812219.db2.gz DPDIIWOKXBJOAT-UHFFFAOYSA-N 1 2 352.482 3.202 20 30 FGEDLO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000048966916 493854574 /nfs/dbraw/zinc/85/45/74/493854574.db2.gz OQFRNYQMMCIVTQ-MRXNPFEDSA-N 1 2 359.433 3.363 20 30 FGEDLO Cc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000029967678 493870691 /nfs/dbraw/zinc/87/06/91/493870691.db2.gz OUUBQHRYKPWFSM-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000076805267 493974024 /nfs/dbraw/zinc/97/40/24/493974024.db2.gz XPXINLDDRZLHQZ-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO CC(C)(CNC(=O)c1ccccc1-c1ccccc1C#N)[NH+]1CCOCC1 ZINC000052836009 494066868 /nfs/dbraw/zinc/06/68/68/494066868.db2.gz QBAWZXVWNDPHHL-UHFFFAOYSA-N 1 2 363.461 3.066 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1F ZINC000077500462 494097286 /nfs/dbraw/zinc/09/72/86/494097286.db2.gz GRPSEGHLLQCFEN-UHFFFAOYSA-N 1 2 353.332 3.344 20 30 FGEDLO Cc1csc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000041521250 494166338 /nfs/dbraw/zinc/16/63/38/494166338.db2.gz KPXMYMVNXUHKDX-LBPRGKRZSA-N 1 2 353.363 3.036 20 30 FGEDLO COC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000053898045 494174528 /nfs/dbraw/zinc/17/45/28/494174528.db2.gz FKHBRRDDKVSDOJ-CYBMUJFWSA-N 1 2 361.511 3.326 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1cccs1 ZINC000011467873 494178562 /nfs/dbraw/zinc/17/85/62/494178562.db2.gz QCLCCVXIQOGIIV-UHFFFAOYSA-N 1 2 350.465 3.223 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1cccs1 ZINC000011467873 494178564 /nfs/dbraw/zinc/17/85/64/494178564.db2.gz QCLCCVXIQOGIIV-UHFFFAOYSA-N 1 2 350.465 3.223 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000065431198 494196702 /nfs/dbraw/zinc/19/67/02/494196702.db2.gz IGGYUFQESXKNQH-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO Cc1cc(Br)cc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)oc21 ZINC000574162012 505708814 /nfs/dbraw/zinc/70/88/14/505708814.db2.gz CVNLRDWIXBCLBQ-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c(C#N)c1C ZINC000065956572 494261615 /nfs/dbraw/zinc/26/16/15/494261615.db2.gz INGZJTZZYJPCJM-UHFFFAOYSA-N 1 2 366.465 3.307 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000043266715 494279670 /nfs/dbraw/zinc/27/96/70/494279670.db2.gz NWMRGDHDGVVPNU-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cs1 ZINC000072920192 494283875 /nfs/dbraw/zinc/28/38/75/494283875.db2.gz BTZKOYGKZVRHOS-JTQLQIEISA-N 1 2 366.874 3.272 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540247 494352493 /nfs/dbraw/zinc/35/24/93/494352493.db2.gz SJCLKZDVWSDRDY-LEWJYISDSA-N 1 2 350.466 3.157 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540247 494352495 /nfs/dbraw/zinc/35/24/95/494352495.db2.gz SJCLKZDVWSDRDY-LEWJYISDSA-N 1 2 350.466 3.157 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066565693 494356354 /nfs/dbraw/zinc/35/63/54/494356354.db2.gz UJAJKVZFHYRXOD-OAHLLOKOSA-N 1 2 372.494 3.227 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565693 494356356 /nfs/dbraw/zinc/35/63/56/494356356.db2.gz UJAJKVZFHYRXOD-OAHLLOKOSA-N 1 2 372.494 3.227 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000045408092 494425840 /nfs/dbraw/zinc/42/58/40/494425840.db2.gz CKBAKQAYSGDCMB-UHFFFAOYSA-N 1 2 370.456 3.414 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000045408092 494425844 /nfs/dbraw/zinc/42/58/44/494425844.db2.gz CKBAKQAYSGDCMB-UHFFFAOYSA-N 1 2 370.456 3.414 20 30 FGEDLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000046921344 494586119 /nfs/dbraw/zinc/58/61/19/494586119.db2.gz QEOXFGHZQOGRIP-INIZCTEOSA-N 1 2 359.433 3.363 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093413464 494887841 /nfs/dbraw/zinc/88/78/41/494887841.db2.gz ZZRMUSJVAYJNPA-LJQANCHMSA-N 1 2 363.509 3.310 20 30 FGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000580392807 505748102 /nfs/dbraw/zinc/74/81/02/505748102.db2.gz QEOWQZJWYMGAPS-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127641747 494974681 /nfs/dbraw/zinc/97/46/81/494974681.db2.gz UNWBFGUVAYFBMF-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000127641747 494974683 /nfs/dbraw/zinc/97/46/83/494974683.db2.gz UNWBFGUVAYFBMF-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000127695450 494982993 /nfs/dbraw/zinc/98/29/93/494982993.db2.gz ZPYZOQLKJQLUOM-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO C=CCCOCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000122687825 495015977 /nfs/dbraw/zinc/01/59/77/495015977.db2.gz OGJFWLQFFMKISP-CALCHBBNSA-N 1 2 361.486 3.010 20 30 FGEDLO C=CCCOCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000122687825 495015980 /nfs/dbraw/zinc/01/59/80/495015980.db2.gz OGJFWLQFFMKISP-CALCHBBNSA-N 1 2 361.486 3.010 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000110979715 495028071 /nfs/dbraw/zinc/02/80/71/495028071.db2.gz RULSBVDTHJCHOU-MRXNPFEDSA-N 1 2 355.388 3.231 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000110979715 495028075 /nfs/dbraw/zinc/02/80/75/495028075.db2.gz RULSBVDTHJCHOU-MRXNPFEDSA-N 1 2 355.388 3.231 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000111250875 495055385 /nfs/dbraw/zinc/05/53/85/495055385.db2.gz ONAXSBCPIQUWAS-UHFFFAOYSA-N 1 2 352.500 3.121 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000111250875 495055388 /nfs/dbraw/zinc/05/53/88/495055388.db2.gz ONAXSBCPIQUWAS-UHFFFAOYSA-N 1 2 352.500 3.121 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)ccc1SC ZINC000101547234 495074908 /nfs/dbraw/zinc/07/49/08/495074908.db2.gz DDBGYTCCNBJUTA-UHFFFAOYSA-N 1 2 361.492 3.421 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)ccc1SC ZINC000101547234 495074910 /nfs/dbraw/zinc/07/49/10/495074910.db2.gz DDBGYTCCNBJUTA-UHFFFAOYSA-N 1 2 361.492 3.421 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)ccc1OC ZINC000128355042 495084549 /nfs/dbraw/zinc/08/45/49/495084549.db2.gz QHUIYVVZGCDNEN-UHFFFAOYSA-N 1 2 360.498 3.340 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128623061 495126411 /nfs/dbraw/zinc/12/64/11/495126411.db2.gz BKSPOMHGSSQFPO-LJQANCHMSA-N 1 2 363.465 3.154 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccc1F ZINC000119399095 495158356 /nfs/dbraw/zinc/15/83/56/495158356.db2.gz QWAIUTZUPWVGEK-UHFFFAOYSA-N 1 2 371.419 3.439 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000129315343 495227253 /nfs/dbraw/zinc/22/72/53/495227253.db2.gz JXZLKHBBFVAGDH-MRXNPFEDSA-N 1 2 369.490 3.098 20 30 FGEDLO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000103474666 495238554 /nfs/dbraw/zinc/23/85/54/495238554.db2.gz NOHXOELEWKDOTL-UHFFFAOYSA-N 1 2 371.510 3.083 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000103474666 495238558 /nfs/dbraw/zinc/23/85/58/495238558.db2.gz NOHXOELEWKDOTL-UHFFFAOYSA-N 1 2 371.510 3.083 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccc(C#N)c1 ZINC000119998294 495285627 /nfs/dbraw/zinc/28/56/27/495285627.db2.gz OMKXOQFIFUDATN-UHFFFAOYSA-N 1 2 362.433 3.143 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccc(C#N)c1 ZINC000119998294 495285634 /nfs/dbraw/zinc/28/56/34/495285634.db2.gz OMKXOQFIFUDATN-UHFFFAOYSA-N 1 2 362.433 3.143 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000580514602 505775317 /nfs/dbraw/zinc/77/53/17/505775317.db2.gz XUGVSNMSYIKVDD-APWZRJJASA-N 1 2 373.497 3.077 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000580514602 505775319 /nfs/dbraw/zinc/77/53/19/505775319.db2.gz XUGVSNMSYIKVDD-APWZRJJASA-N 1 2 373.497 3.077 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000114802216 495427483 /nfs/dbraw/zinc/42/74/83/495427483.db2.gz CSCZHSAUVFKSMP-OAHLLOKOSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000114802216 495427488 /nfs/dbraw/zinc/42/74/88/495427488.db2.gz CSCZHSAUVFKSMP-OAHLLOKOSA-N 1 2 355.438 3.364 20 30 FGEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000139477415 495478392 /nfs/dbraw/zinc/47/83/92/495478392.db2.gz MYURGGOQRSKOJD-UHFFFAOYSA-N 1 2 362.477 3.064 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000139993539 495487178 /nfs/dbraw/zinc/48/71/78/495487178.db2.gz YAHXMOGJIVIYRQ-QGZVFWFLSA-N 1 2 368.481 3.149 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000140641155 495498666 /nfs/dbraw/zinc/49/86/66/495498666.db2.gz YGUIHLFGKNKMBK-ROUUACIJSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000140641155 495498667 /nfs/dbraw/zinc/49/86/67/495498667.db2.gz YGUIHLFGKNKMBK-ROUUACIJSA-N 1 2 357.498 3.438 20 30 FGEDLO N#CC1(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CCOCC1 ZINC000115465515 495507808 /nfs/dbraw/zinc/50/78/08/495507808.db2.gz YQHFKSKRRWBJNO-UHFFFAOYSA-N 1 2 357.797 3.330 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000143087552 495531194 /nfs/dbraw/zinc/53/11/94/495531194.db2.gz RPQLUCQAJRZZMF-CVEARBPZSA-N 1 2 353.466 3.287 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000143087552 495531197 /nfs/dbraw/zinc/53/11/97/495531197.db2.gz RPQLUCQAJRZZMF-CVEARBPZSA-N 1 2 353.466 3.287 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580571442 505788774 /nfs/dbraw/zinc/78/87/74/505788774.db2.gz JQUXYRWXQFEKDX-IBGZPJMESA-N 1 2 356.495 3.309 20 30 FGEDLO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000571683300 505790283 /nfs/dbraw/zinc/79/02/83/505790283.db2.gz ZZFIEDFJYGEAAF-FQEVSTJZSA-N 1 2 350.418 3.316 20 30 FGEDLO C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000150875397 495665344 /nfs/dbraw/zinc/66/53/44/495665344.db2.gz DOBYALIXLLVCCI-UHFFFAOYSA-N 1 2 372.918 3.360 20 30 FGEDLO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000150875397 495665349 /nfs/dbraw/zinc/66/53/49/495665349.db2.gz DOBYALIXLLVCCI-UHFFFAOYSA-N 1 2 372.918 3.360 20 30 FGEDLO Cc1ccc(-c2ccc(CN(CCC#N)CC[NH+]3CCOCC3)o2)cc1 ZINC000154790094 495728812 /nfs/dbraw/zinc/72/88/12/495728812.db2.gz VLUVJWBDWGSMGB-UHFFFAOYSA-N 1 2 353.466 3.303 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902478 495739443 /nfs/dbraw/zinc/73/94/43/495739443.db2.gz LQFPHDRYNREJLM-HZPDHXFCSA-N 1 2 374.510 3.019 20 30 FGEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000176890005 495829497 /nfs/dbraw/zinc/82/94/97/495829497.db2.gz LANCOJKCQNDOBE-UHFFFAOYSA-N 1 2 358.482 3.116 20 30 FGEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000155154799 495855824 /nfs/dbraw/zinc/85/58/24/495855824.db2.gz HNYNZEJPYPAWNV-GFCCVEGCSA-N 1 2 370.266 3.171 20 30 FGEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(C)CCC#N ZINC000155154799 495855829 /nfs/dbraw/zinc/85/58/29/495855829.db2.gz HNYNZEJPYPAWNV-GFCCVEGCSA-N 1 2 370.266 3.171 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177021230 495886316 /nfs/dbraw/zinc/88/63/16/495886316.db2.gz ONAFOQJYXBXKDX-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000177021230 495886319 /nfs/dbraw/zinc/88/63/19/495886319.db2.gz ONAFOQJYXBXKDX-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000177031898 495891236 /nfs/dbraw/zinc/89/12/36/495891236.db2.gz INKDJLJPFODQMC-KRWDZBQOSA-N 1 2 355.463 3.417 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000171610633 495947222 /nfs/dbraw/zinc/94/72/22/495947222.db2.gz JABSDXPFQHDZBY-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000174577015 496018947 /nfs/dbraw/zinc/01/89/47/496018947.db2.gz KOFRZUDPKAVUIE-FQEVSTJZSA-N 1 2 367.424 3.075 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000171748542 496019602 /nfs/dbraw/zinc/01/96/02/496019602.db2.gz VFZRLPPZIBIUNH-MRXNPFEDSA-N 1 2 350.871 3.063 20 30 FGEDLO C=CC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000171748542 496019607 /nfs/dbraw/zinc/01/96/07/496019607.db2.gz VFZRLPPZIBIUNH-MRXNPFEDSA-N 1 2 350.871 3.063 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000174834177 496125533 /nfs/dbraw/zinc/12/55/33/496125533.db2.gz YZDDSGRFUDEKMH-UHFFFAOYSA-N 1 2 372.856 3.488 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000174834177 496125539 /nfs/dbraw/zinc/12/55/39/496125539.db2.gz YZDDSGRFUDEKMH-UHFFFAOYSA-N 1 2 372.856 3.488 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000571847606 505826817 /nfs/dbraw/zinc/82/68/17/505826817.db2.gz WDBXUCYLGQHIIQ-JLJPHGGASA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000571847606 505826821 /nfs/dbraw/zinc/82/68/21/505826821.db2.gz WDBXUCYLGQHIIQ-JLJPHGGASA-N 1 2 354.410 3.007 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181058424 496255723 /nfs/dbraw/zinc/25/57/23/496255723.db2.gz IMOWCCQZKZJDHJ-OAHLLOKOSA-N 1 2 364.287 3.201 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181058424 496255729 /nfs/dbraw/zinc/25/57/29/496255729.db2.gz IMOWCCQZKZJDHJ-OAHLLOKOSA-N 1 2 364.287 3.201 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000156511143 496265690 /nfs/dbraw/zinc/26/56/90/496265690.db2.gz FDSBGOMITPCYJL-QZTJIDSGSA-N 1 2 365.905 3.319 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000156511143 496265694 /nfs/dbraw/zinc/26/56/94/496265694.db2.gz FDSBGOMITPCYJL-QZTJIDSGSA-N 1 2 365.905 3.319 20 30 FGEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569030776 505833671 /nfs/dbraw/zinc/83/36/71/505833671.db2.gz LYOZDFQAPMZOHZ-KRWDZBQOSA-N 1 2 361.449 3.349 20 30 FGEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569030776 505833674 /nfs/dbraw/zinc/83/36/74/505833674.db2.gz LYOZDFQAPMZOHZ-KRWDZBQOSA-N 1 2 361.449 3.349 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)s1 ZINC000172402557 496284120 /nfs/dbraw/zinc/28/41/20/496284120.db2.gz HRAQYSSDFNJIIR-UHFFFAOYSA-N 1 2 353.491 3.069 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184212368 496288639 /nfs/dbraw/zinc/28/86/39/496288639.db2.gz SQJSFDZWYGVSLV-YJBOKZPZSA-N 1 2 355.438 3.482 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000156827743 496343285 /nfs/dbraw/zinc/34/32/85/496343285.db2.gz IBEAAYMYAHJZBL-OAHLLOKOSA-N 1 2 358.463 3.121 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000156827743 496343293 /nfs/dbraw/zinc/34/32/93/496343293.db2.gz IBEAAYMYAHJZBL-OAHLLOKOSA-N 1 2 358.463 3.121 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153072393 496343873 /nfs/dbraw/zinc/34/38/73/496343873.db2.gz LGSXSSVAQMCRHQ-IBGZPJMESA-N 1 2 363.465 3.152 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153467078 496465528 /nfs/dbraw/zinc/46/55/28/496465528.db2.gz FWSLGOHBGIBMFX-AEFFLSMTSA-N 1 2 354.454 3.241 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)cc(OC)c1O ZINC000187555156 496488975 /nfs/dbraw/zinc/48/89/75/496488975.db2.gz BSIIKDJPGAFNHB-XMMPIXPASA-N 1 2 351.512 3.252 20 30 FGEDLO C=CCc1cc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)cc(OC)c1O ZINC000187555156 496488980 /nfs/dbraw/zinc/48/89/80/496488980.db2.gz BSIIKDJPGAFNHB-XMMPIXPASA-N 1 2 351.512 3.252 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000163617099 496538518 /nfs/dbraw/zinc/53/85/18/496538518.db2.gz SJVRABOHWMBKKC-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000163617099 496538525 /nfs/dbraw/zinc/53/85/25/496538525.db2.gz SJVRABOHWMBKKC-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000187793942 496575056 /nfs/dbraw/zinc/57/50/56/496575056.db2.gz NFHWCSXIMUKVFS-UHFFFAOYSA-N 1 2 367.474 3.373 20 30 FGEDLO C=CCCCCCN(C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000153782185 496578449 /nfs/dbraw/zinc/57/84/49/496578449.db2.gz GDGBGMWKUUDNPG-QGZVFWFLSA-N 1 2 360.502 3.195 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000181901664 496592861 /nfs/dbraw/zinc/59/28/61/496592861.db2.gz MNVSGIBSIYJDNF-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000181901664 496592862 /nfs/dbraw/zinc/59/28/62/496592862.db2.gz MNVSGIBSIYJDNF-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000185023116 496626936 /nfs/dbraw/zinc/62/69/36/496626936.db2.gz PKSLLQKQGBQLAS-QGZVFWFLSA-N 1 2 354.498 3.198 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000185023116 496626942 /nfs/dbraw/zinc/62/69/42/496626942.db2.gz PKSLLQKQGBQLAS-QGZVFWFLSA-N 1 2 354.498 3.198 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000164756444 496631145 /nfs/dbraw/zinc/63/11/45/496631145.db2.gz BKSFZUNIOIDYFF-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000158130751 496633825 /nfs/dbraw/zinc/63/38/25/496633825.db2.gz VBDKTKWHKDPLMT-UHFFFAOYSA-N 1 2 359.426 3.224 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000158130751 496633830 /nfs/dbraw/zinc/63/38/30/496633830.db2.gz VBDKTKWHKDPLMT-UHFFFAOYSA-N 1 2 359.426 3.224 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000179120167 496682897 /nfs/dbraw/zinc/68/28/97/496682897.db2.gz XQITVFHDUNXSPL-LJQANCHMSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000179120167 496682902 /nfs/dbraw/zinc/68/29/02/496682902.db2.gz XQITVFHDUNXSPL-LJQANCHMSA-N 1 2 372.465 3.178 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179219143 496715176 /nfs/dbraw/zinc/71/51/76/496715176.db2.gz XXMFFAITKXCRCV-HOTGVXAUSA-N 1 2 352.841 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179219143 496715181 /nfs/dbraw/zinc/71/51/81/496715181.db2.gz XXMFFAITKXCRCV-HOTGVXAUSA-N 1 2 352.841 3.217 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1=O ZINC000185301670 496726543 /nfs/dbraw/zinc/72/65/43/496726543.db2.gz RYRDRKBMHQYKTB-XJKSGUPXSA-N 1 2 373.428 3.493 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1=O ZINC000185301670 496726544 /nfs/dbraw/zinc/72/65/44/496726544.db2.gz RYRDRKBMHQYKTB-XJKSGUPXSA-N 1 2 373.428 3.493 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000247091200 496775602 /nfs/dbraw/zinc/77/56/02/496775602.db2.gz ULCBQGAKIMONFN-KKSFZXQISA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000247091200 496775608 /nfs/dbraw/zinc/77/56/08/496775608.db2.gz ULCBQGAKIMONFN-KKSFZXQISA-N 1 2 352.434 3.408 20 30 FGEDLO C=CCn1c(C)cc(C(=O)CN(C)Cc2[nH+]ccn2CC(F)(F)F)c1C ZINC000264106283 496813497 /nfs/dbraw/zinc/81/34/97/496813497.db2.gz JFYUYLPZYWSSTO-UHFFFAOYSA-N 1 2 368.403 3.364 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264245861 496850586 /nfs/dbraw/zinc/85/05/86/496850586.db2.gz NWFVPDPFRJDWIJ-UHFFFAOYSA-N 1 2 351.332 3.289 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195403972 496914191 /nfs/dbraw/zinc/91/41/91/496914191.db2.gz IRWNDVRTXITNIN-ZWKOTPCHSA-N 1 2 371.481 3.498 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195403972 496914197 /nfs/dbraw/zinc/91/41/97/496914197.db2.gz IRWNDVRTXITNIN-ZWKOTPCHSA-N 1 2 371.481 3.498 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000269414604 496941631 /nfs/dbraw/zinc/94/16/31/496941631.db2.gz HAZSRHWTNLMVNS-NRRJATNASA-N 1 2 373.478 3.137 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000269414604 496941640 /nfs/dbraw/zinc/94/16/40/496941640.db2.gz HAZSRHWTNLMVNS-NRRJATNASA-N 1 2 373.478 3.137 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)cc(OC)c1 ZINC000192053695 496977825 /nfs/dbraw/zinc/97/78/25/496977825.db2.gz RNOVDZPECOLHPT-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1cc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc(OC)c1 ZINC000192053695 496977833 /nfs/dbraw/zinc/97/78/33/496977833.db2.gz RNOVDZPECOLHPT-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C#CCSCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270374102 497113154 /nfs/dbraw/zinc/11/31/54/497113154.db2.gz UPPVQOUNEMSKBI-UHFFFAOYSA-N 1 2 352.463 3.090 20 30 FGEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000265654292 497156143 /nfs/dbraw/zinc/15/61/43/497156143.db2.gz PJUFOVZSOXQSQJ-UHFFFAOYSA-N 1 2 364.449 3.247 20 30 FGEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000278669960 497183972 /nfs/dbraw/zinc/18/39/72/497183972.db2.gz QZPRSZDCUQCXFO-GXTWGEPZSA-N 1 2 352.265 3.443 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249316338 497191607 /nfs/dbraw/zinc/19/16/07/497191607.db2.gz PQMRDSOYGHLNHV-WFASDCNBSA-N 1 2 350.260 3.036 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249316338 497191612 /nfs/dbraw/zinc/19/16/12/497191612.db2.gz PQMRDSOYGHLNHV-WFASDCNBSA-N 1 2 350.260 3.036 20 30 FGEDLO C=CCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278759014 497211842 /nfs/dbraw/zinc/21/18/42/497211842.db2.gz UZZMCTBNRKCSIZ-UHFFFAOYSA-N 1 2 366.465 3.297 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271010197 497245641 /nfs/dbraw/zinc/24/56/41/497245641.db2.gz PHOAFUUTFWRTFT-OALUTQOASA-N 1 2 368.506 3.377 20 30 FGEDLO Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271102343 497264189 /nfs/dbraw/zinc/26/41/89/497264189.db2.gz YOFXOONEGXUSSF-SFHVURJKSA-N 1 2 369.444 3.238 20 30 FGEDLO Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nn1CCC#N ZINC000271102343 497264192 /nfs/dbraw/zinc/26/41/92/497264192.db2.gz YOFXOONEGXUSSF-SFHVURJKSA-N 1 2 369.444 3.238 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000279283855 497394196 /nfs/dbraw/zinc/39/41/96/497394196.db2.gz KTOJWNHMOGUZQV-KRWDZBQOSA-N 1 2 363.461 3.018 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOc2ccccc2C#N)o1 ZINC000193764319 497473624 /nfs/dbraw/zinc/47/36/24/497473624.db2.gz IRWJPJRTUOQYDK-LJQANCHMSA-N 1 2 360.417 3.428 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOc2ccccc2C#N)o1 ZINC000193764319 497473628 /nfs/dbraw/zinc/47/36/28/497473628.db2.gz IRWJPJRTUOQYDK-LJQANCHMSA-N 1 2 360.417 3.428 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000267327075 497526539 /nfs/dbraw/zinc/52/65/39/497526539.db2.gz IKLZHNALXWUJCN-CFLQYTFWSA-N 1 2 372.428 3.205 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000267327075 497526546 /nfs/dbraw/zinc/52/65/46/497526546.db2.gz IKLZHNALXWUJCN-CFLQYTFWSA-N 1 2 372.428 3.205 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000279884936 497576294 /nfs/dbraw/zinc/57/62/94/497576294.db2.gz XSPJWYIIDZYFIL-UHFFFAOYSA-N 1 2 359.433 3.397 20 30 FGEDLO C=C(CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC)C(=O)OCC ZINC000276714824 497634498 /nfs/dbraw/zinc/63/44/98/497634498.db2.gz YXTZSXXDGOICHJ-CQSZACIVSA-N 1 2 354.520 3.302 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272487088 497641717 /nfs/dbraw/zinc/64/17/17/497641717.db2.gz BVKROLZTXQORTN-UHFFFAOYSA-N 1 2 370.316 3.095 20 30 FGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000268098808 497677949 /nfs/dbraw/zinc/67/79/49/497677949.db2.gz DQMNSGLLGHMRKZ-UHFFFAOYSA-N 1 2 353.806 3.053 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000194590294 497712589 /nfs/dbraw/zinc/71/25/89/497712589.db2.gz HONJPHJAXHDQPH-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000575120186 505925884 /nfs/dbraw/zinc/92/58/84/505925884.db2.gz MQTSPZZIVJCFFA-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000575120186 505925888 /nfs/dbraw/zinc/92/58/88/505925888.db2.gz MQTSPZZIVJCFFA-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277086282 497737883 /nfs/dbraw/zinc/73/78/83/497737883.db2.gz NAHQKTJTACSKQL-UHFFFAOYSA-N 1 2 354.454 3.402 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000280624333 497830100 /nfs/dbraw/zinc/83/01/00/497830100.db2.gz RYFLOPPTUYTXRO-KBPBESRZSA-N 1 2 353.422 3.321 20 30 FGEDLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329620869 497848993 /nfs/dbraw/zinc/84/89/93/497848993.db2.gz MWCAWBSZGHOAFS-KRWDZBQOSA-N 1 2 358.482 3.327 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCCC3(CCOCC3)C1)C2 ZINC000329686564 497868825 /nfs/dbraw/zinc/86/88/25/497868825.db2.gz YTTLULNFTMRXTQ-MRXNPFEDSA-N 1 2 374.529 3.302 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720254 497880000 /nfs/dbraw/zinc/88/00/00/497880000.db2.gz AIUWVQZQRHLSLT-JTQLQIEISA-N 1 2 362.817 3.108 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720254 497880006 /nfs/dbraw/zinc/88/00/06/497880006.db2.gz AIUWVQZQRHLSLT-JTQLQIEISA-N 1 2 362.817 3.108 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000299694177 497898208 /nfs/dbraw/zinc/89/82/08/497898208.db2.gz UVLAPHMGJKIWCX-AWEZNQCLSA-N 1 2 367.453 3.271 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCCC2(CCOCC2)C1 ZINC000329814072 497910393 /nfs/dbraw/zinc/91/03/93/497910393.db2.gz NOTYZOTYNAHQSO-UHFFFAOYSA-N 1 2 362.861 3.294 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329824343 497916151 /nfs/dbraw/zinc/91/61/51/497916151.db2.gz HVAOELSDKXRIRQ-QBIMZIAESA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329824343 497916156 /nfs/dbraw/zinc/91/61/56/497916156.db2.gz HVAOELSDKXRIRQ-QBIMZIAESA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H]1CCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C[C@H]1n1cc[nH+]c1 ZINC000329887425 497939459 /nfs/dbraw/zinc/93/94/59/497939459.db2.gz XJWVCXWODFGACD-WCQYABFASA-N 1 2 364.352 3.333 20 30 FGEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000329893808 497943187 /nfs/dbraw/zinc/94/31/87/497943187.db2.gz AYYWLYYMQJNYJD-QGZVFWFLSA-N 1 2 352.504 3.175 20 30 FGEDLO CCN1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1=O ZINC000329926308 497954680 /nfs/dbraw/zinc/95/46/80/497954680.db2.gz WBTBYRFQNJTVNG-UHFFFAOYSA-N 1 2 357.498 3.009 20 30 FGEDLO CCN1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1=O ZINC000329926308 497954686 /nfs/dbraw/zinc/95/46/86/497954686.db2.gz WBTBYRFQNJTVNG-UHFFFAOYSA-N 1 2 357.498 3.009 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329932186 497957811 /nfs/dbraw/zinc/95/78/11/497957811.db2.gz IOEYLZRSZCCSNS-IRXDYDNUSA-N 1 2 355.486 3.382 20 30 FGEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000329942085 497962150 /nfs/dbraw/zinc/96/21/50/497962150.db2.gz HBLYADQYGJKBHR-CQSZACIVSA-N 1 2 356.513 3.015 20 30 FGEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)s1 ZINC000329942085 497962162 /nfs/dbraw/zinc/96/21/62/497962162.db2.gz HBLYADQYGJKBHR-CQSZACIVSA-N 1 2 356.513 3.015 20 30 FGEDLO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)O1 ZINC000329984160 497979962 /nfs/dbraw/zinc/97/99/62/497979962.db2.gz QBYCUXLGDGFUJV-SOUVJXGZSA-N 1 2 369.506 3.122 20 30 FGEDLO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)O1 ZINC000329984160 497979967 /nfs/dbraw/zinc/97/99/67/497979967.db2.gz QBYCUXLGDGFUJV-SOUVJXGZSA-N 1 2 369.506 3.122 20 30 FGEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCCS3)c2)CC1 ZINC000329986273 497981444 /nfs/dbraw/zinc/98/14/44/497981444.db2.gz FBMCPLQBSCSQEB-GOSISDBHSA-N 1 2 361.511 3.224 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)cc[nH+]1 ZINC000329989498 497982511 /nfs/dbraw/zinc/98/25/11/497982511.db2.gz IAZKWRHROCJOSO-GOSISDBHSA-N 1 2 369.444 3.038 20 30 FGEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000329993826 497983477 /nfs/dbraw/zinc/98/34/77/497983477.db2.gz YSIFDVRGJWMGKO-CVYDXHPNSA-N 1 2 366.481 3.286 20 30 FGEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000329993826 497983479 /nfs/dbraw/zinc/98/34/79/497983479.db2.gz YSIFDVRGJWMGKO-CVYDXHPNSA-N 1 2 366.481 3.286 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)NCC[N@@H+]3CCOCC3(C)C)ccc2n1 ZINC000330005535 497988213 /nfs/dbraw/zinc/98/82/13/497988213.db2.gz BZBVLTVBIAGIBH-UHFFFAOYSA-N 1 2 359.474 3.054 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)NCC[N@H+]3CCOCC3(C)C)ccc2n1 ZINC000330005535 497988219 /nfs/dbraw/zinc/98/82/19/497988219.db2.gz BZBVLTVBIAGIBH-UHFFFAOYSA-N 1 2 359.474 3.054 20 30 FGEDLO C[C@H]1N(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCOC1(C)C ZINC000330067723 498009972 /nfs/dbraw/zinc/00/99/72/498009972.db2.gz URDFSVYGOYMPHC-UONOGXRCSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@H]1N(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCOC1(C)C ZINC000330067723 498009977 /nfs/dbraw/zinc/00/99/77/498009977.db2.gz URDFSVYGOYMPHC-UONOGXRCSA-N 1 2 366.531 3.420 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000330098877 498020710 /nfs/dbraw/zinc/02/07/10/498020710.db2.gz CINDGRKRKOUVJR-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000330098877 498020718 /nfs/dbraw/zinc/02/07/18/498020718.db2.gz CINDGRKRKOUVJR-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1nc2c(cc(OC[C@@H](O)C[N@H+](C)CCC#N)c3ccsc32)s1 ZINC000569570667 505966979 /nfs/dbraw/zinc/96/69/79/505966979.db2.gz CAHLGQBXMXZOKP-LBPRGKRZSA-N 1 2 361.492 3.405 20 30 FGEDLO Cc1nc2c(cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c3ccsc32)s1 ZINC000569570667 505966983 /nfs/dbraw/zinc/96/69/83/505966983.db2.gz CAHLGQBXMXZOKP-LBPRGKRZSA-N 1 2 361.492 3.405 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(F)c1 ZINC000330134672 498034195 /nfs/dbraw/zinc/03/41/95/498034195.db2.gz SCSQIOIADIDCDZ-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(F)c1 ZINC000330134672 498034202 /nfs/dbraw/zinc/03/42/02/498034202.db2.gz SCSQIOIADIDCDZ-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330137528 498036042 /nfs/dbraw/zinc/03/60/42/498036042.db2.gz UYEKVXVBCGHXBC-PZPFTHLGSA-N 1 2 374.481 3.125 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330137528 498036047 /nfs/dbraw/zinc/03/60/47/498036047.db2.gz UYEKVXVBCGHXBC-PZPFTHLGSA-N 1 2 374.481 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330143666 498037108 /nfs/dbraw/zinc/03/71/08/498037108.db2.gz ZBDLJQGZKUTYLK-SJKOYZFVSA-N 1 2 356.825 3.337 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330143666 498037112 /nfs/dbraw/zinc/03/71/12/498037112.db2.gz ZBDLJQGZKUTYLK-SJKOYZFVSA-N 1 2 356.825 3.337 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330162679 498045459 /nfs/dbraw/zinc/04/54/59/498045459.db2.gz USYYJQFJVLBCMK-DYESRHJHSA-N 1 2 360.498 3.189 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000330162679 498045465 /nfs/dbraw/zinc/04/54/65/498045465.db2.gz USYYJQFJVLBCMK-DYESRHJHSA-N 1 2 360.498 3.189 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCOC[C@H](C2CCC2)C1 ZINC000330184787 498052548 /nfs/dbraw/zinc/05/25/48/498052548.db2.gz QXWJDFXWSDQQJC-CQSZACIVSA-N 1 2 362.861 3.150 20 30 FGEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285357075 498061137 /nfs/dbraw/zinc/06/11/37/498061137.db2.gz BDUYIOICJHHWPN-LBPRGKRZSA-N 1 2 374.441 3.024 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCOC3(CCCC3)C1)C2 ZINC000330218907 498065957 /nfs/dbraw/zinc/06/59/57/498065957.db2.gz JVIGUOORVPNLJI-HOTGVXAUSA-N 1 2 374.529 3.491 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCOC3(CCCC3)C1)C2 ZINC000330218907 498065963 /nfs/dbraw/zinc/06/59/63/498065963.db2.gz JVIGUOORVPNLJI-HOTGVXAUSA-N 1 2 374.529 3.491 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)no1 ZINC000364657250 498072170 /nfs/dbraw/zinc/07/21/70/498072170.db2.gz AXLVLLKZQJWZPN-AWEZNQCLSA-N 1 2 374.876 3.097 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)no1 ZINC000364657250 498072174 /nfs/dbraw/zinc/07/21/74/498072174.db2.gz AXLVLLKZQJWZPN-AWEZNQCLSA-N 1 2 374.876 3.097 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000330272105 498088048 /nfs/dbraw/zinc/08/80/48/498088048.db2.gz XCCHHONDCPHOKW-KGLIPLIRSA-N 1 2 350.532 3.237 20 30 FGEDLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1cccc(C#N)c1 ZINC000301422501 498103649 /nfs/dbraw/zinc/10/36/49/498103649.db2.gz FLSYRLLOELFVKQ-SECBINFHSA-N 1 2 357.215 3.171 20 30 FGEDLO CC(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000292677578 498106441 /nfs/dbraw/zinc/10/64/41/498106441.db2.gz FCFZDOUPYDDGBX-UHFFFAOYSA-N 1 2 367.474 3.170 20 30 FGEDLO CC(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000292677578 498106449 /nfs/dbraw/zinc/10/64/49/498106449.db2.gz FCFZDOUPYDDGBX-UHFFFAOYSA-N 1 2 367.474 3.170 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000281352614 498116670 /nfs/dbraw/zinc/11/66/70/498116670.db2.gz DZXRJGVLOQQOPM-CQSZACIVSA-N 1 2 354.454 3.172 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384121 498130082 /nfs/dbraw/zinc/13/00/82/498130082.db2.gz PIIRCIZKRPELIC-FUHWJXTLSA-N 1 2 357.498 3.164 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384121 498130088 /nfs/dbraw/zinc/13/00/88/498130088.db2.gz PIIRCIZKRPELIC-FUHWJXTLSA-N 1 2 357.498 3.164 20 30 FGEDLO CNC(=O)c1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000330459558 498135872 /nfs/dbraw/zinc/13/58/72/498135872.db2.gz QIFCUADDPQAPAV-DEYYWGMASA-N 1 2 361.486 3.002 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1F ZINC000330554281 498150659 /nfs/dbraw/zinc/15/06/59/498150659.db2.gz YQBQMOWIIIQWPS-GHMZBOCLSA-N 1 2 361.820 3.362 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000281464334 498159898 /nfs/dbraw/zinc/15/98/98/498159898.db2.gz OADRIMNBPVLBKS-MRXNPFEDSA-N 1 2 364.449 3.011 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c(Br)c1 ZINC000330861651 498207705 /nfs/dbraw/zinc/20/77/05/498207705.db2.gz VMOBRMDHLXLSMN-OUCADQQQSA-N 1 2 350.260 3.366 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000292980844 498221045 /nfs/dbraw/zinc/22/10/45/498221045.db2.gz LEBWYUFQDZYERG-UHFFFAOYSA-N 1 2 351.244 3.050 20 30 FGEDLO CCc1nnc(C[NH2+][C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)n1C ZINC000364965160 498231083 /nfs/dbraw/zinc/23/10/83/498231083.db2.gz SIVPBEAWCAIGKV-LBPRGKRZSA-N 1 2 352.467 3.223 20 30 FGEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331040609 498242545 /nfs/dbraw/zinc/24/25/45/498242545.db2.gz QBPAWDSPXVUJOP-UHFFFAOYSA-N 1 2 366.531 3.046 20 30 FGEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331040609 498242551 /nfs/dbraw/zinc/24/25/51/498242551.db2.gz QBPAWDSPXVUJOP-UHFFFAOYSA-N 1 2 366.531 3.046 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281812683 498278569 /nfs/dbraw/zinc/27/85/69/498278569.db2.gz WFHAYJZFGWUDFD-SFHVURJKSA-N 1 2 373.250 3.081 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000331244769 498283976 /nfs/dbraw/zinc/28/39/76/498283976.db2.gz RDURKSVMGKVIMO-AWEZNQCLSA-N 1 2 350.287 3.049 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000331244769 498283980 /nfs/dbraw/zinc/28/39/80/498283980.db2.gz RDURKSVMGKVIMO-AWEZNQCLSA-N 1 2 350.287 3.049 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ncccc2OCCCC#N)CC1(C)C ZINC000297034916 498296489 /nfs/dbraw/zinc/29/64/89/498296489.db2.gz WXBDVOMLGPOIPK-HNNXBMFYSA-N 1 2 368.441 3.113 20 30 FGEDLO CCC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000331310514 498298163 /nfs/dbraw/zinc/29/81/63/498298163.db2.gz YSRUKVDLDMFWOC-INIZCTEOSA-N 1 2 360.502 3.017 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318941 498299460 /nfs/dbraw/zinc/29/94/60/498299460.db2.gz KFYCBIWELXWDKP-YJBOKZPZSA-N 1 2 361.461 3.208 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318941 498299464 /nfs/dbraw/zinc/29/94/64/498299464.db2.gz KFYCBIWELXWDKP-YJBOKZPZSA-N 1 2 361.461 3.208 20 30 FGEDLO N#C[C@]1(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)CC12CCCC2 ZINC000297065976 498311023 /nfs/dbraw/zinc/31/10/23/498311023.db2.gz JFPWTOKMJPPUOS-QHCPKHFHSA-N 1 2 374.488 3.485 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000331450214 498335925 /nfs/dbraw/zinc/33/59/25/498335925.db2.gz TYPIWMLVIPPXME-MOPGFXCFSA-N 1 2 354.498 3.342 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000361234812 498362964 /nfs/dbraw/zinc/36/29/64/498362964.db2.gz SJCIGZFCBNPEKS-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000361234812 498362970 /nfs/dbraw/zinc/36/29/70/498362970.db2.gz SJCIGZFCBNPEKS-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000293390829 498369219 /nfs/dbraw/zinc/36/92/19/498369219.db2.gz KQOXWRKOAPOLGG-MRXNPFEDSA-N 1 2 354.454 3.313 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000293390829 498369222 /nfs/dbraw/zinc/36/92/22/498369222.db2.gz KQOXWRKOAPOLGG-MRXNPFEDSA-N 1 2 354.454 3.313 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289968059 498374821 /nfs/dbraw/zinc/37/48/21/498374821.db2.gz WYOHDBURDKMVLE-CABCVRRESA-N 1 2 365.424 3.307 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289968059 498374826 /nfs/dbraw/zinc/37/48/26/498374826.db2.gz WYOHDBURDKMVLE-CABCVRRESA-N 1 2 365.424 3.307 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302034926 498378394 /nfs/dbraw/zinc/37/83/94/498378394.db2.gz OVGOGXASNDOBEI-UHFFFAOYSA-N 1 2 373.416 3.468 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1F ZINC000282085349 498378680 /nfs/dbraw/zinc/37/86/80/498378680.db2.gz DINOGLZXOCWQTO-JMLCCBQJSA-N 1 2 369.444 3.278 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C(C)C)C1=O ZINC000282132156 498394666 /nfs/dbraw/zinc/39/46/66/498394666.db2.gz YVKBVPAAZVNSBM-INIZCTEOSA-N 1 2 374.872 3.387 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](Cc2nnc(-c3ccccc3Cl)o2)C(C)C)C1=O ZINC000282132156 498394673 /nfs/dbraw/zinc/39/46/73/498394673.db2.gz YVKBVPAAZVNSBM-INIZCTEOSA-N 1 2 374.872 3.387 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290273886 498491848 /nfs/dbraw/zinc/49/18/48/498491848.db2.gz WLHALDUBGUTTCL-AWEZNQCLSA-N 1 2 353.401 3.003 20 30 FGEDLO C=C[C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)c1ccccc1 ZINC000581687973 506044898 /nfs/dbraw/zinc/04/48/98/506044898.db2.gz DGIAOIMWPPWITM-IBGZPJMESA-N 1 2 363.465 3.005 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000581729777 506055503 /nfs/dbraw/zinc/05/55/03/506055503.db2.gz JVSCLJVTMZNKBY-NRFANRHFSA-N 1 2 351.450 3.083 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1c(F)cccc1F ZINC000282614445 498582455 /nfs/dbraw/zinc/58/24/55/498582455.db2.gz GWZSXNMXWULFDB-KVULBXGLSA-N 1 2 364.440 3.197 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098873 498589153 /nfs/dbraw/zinc/58/91/53/498589153.db2.gz MHCHACGYYCBOQZ-GHMZBOCLSA-N 1 2 350.216 3.408 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098873 498589156 /nfs/dbraw/zinc/58/91/56/498589156.db2.gz MHCHACGYYCBOQZ-GHMZBOCLSA-N 1 2 350.216 3.408 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)c2)cc[nH+]1 ZINC000581752995 506060591 /nfs/dbraw/zinc/06/05/91/506060591.db2.gz CZHMFHCCMSMZRE-BTYIYWSLSA-N 1 2 363.465 3.021 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)nc1 ZINC000302867187 498606374 /nfs/dbraw/zinc/60/63/74/498606374.db2.gz ZFUIWXRJZPIEAG-UHFFFAOYSA-N 1 2 364.453 3.146 20 30 FGEDLO N#Cc1ccc(OC2CCC(Nc3cc(N4CCCC4)[nH+]cn3)CC2)nc1 ZINC000302867187 498606381 /nfs/dbraw/zinc/60/63/81/498606381.db2.gz ZFUIWXRJZPIEAG-UHFFFAOYSA-N 1 2 364.453 3.146 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000332359303 498662783 /nfs/dbraw/zinc/66/27/83/498662783.db2.gz CLJJMUXLOGMLBQ-IFXJQAMLSA-N 1 2 366.469 3.244 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000294348295 498665695 /nfs/dbraw/zinc/66/56/95/498665695.db2.gz ZITZLPUCQDGXDP-IBGZPJMESA-N 1 2 365.481 3.377 20 30 FGEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000298760823 498870825 /nfs/dbraw/zinc/87/08/25/498870825.db2.gz XJBRJWNPNRFRMS-HKUYNNGSSA-N 1 2 372.428 3.131 20 30 FGEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000298760823 498870829 /nfs/dbraw/zinc/87/08/29/498870829.db2.gz XJBRJWNPNRFRMS-HKUYNNGSSA-N 1 2 372.428 3.131 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328610545 498874610 /nfs/dbraw/zinc/87/46/10/498874610.db2.gz NTMBQZPHZJOMRN-OAHLLOKOSA-N 1 2 363.412 3.446 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2F)n1C ZINC000328629467 498881798 /nfs/dbraw/zinc/88/17/98/498881798.db2.gz IGPDZVCNVIIUBS-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)n1C ZINC000328629467 498881802 /nfs/dbraw/zinc/88/18/02/498881802.db2.gz IGPDZVCNVIIUBS-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C[C@H]1CCCO1)C1CCCC1)CCC2 ZINC000328651173 498890187 /nfs/dbraw/zinc/89/01/87/498890187.db2.gz JRIREBIADIXOIL-FUHWJXTLSA-N 1 2 360.502 3.407 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCCC(=O)N3)c[nH+]2)CCO1 ZINC000328668125 498897187 /nfs/dbraw/zinc/89/71/87/498897187.db2.gz LGLSSYTWSBFMOT-GDBMZVCRSA-N 1 2 360.458 3.052 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000287929413 498905233 /nfs/dbraw/zinc/90/52/33/498905233.db2.gz WQCONEMAVZJLON-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000287929413 498905239 /nfs/dbraw/zinc/90/52/39/498905239.db2.gz WQCONEMAVZJLON-UHFFFAOYSA-N 1 2 360.255 3.100 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCc3ncccc3C2)ccc1Cl ZINC000366432646 498924966 /nfs/dbraw/zinc/92/49/66/498924966.db2.gz GZYLVTXNTRWHLV-UHFFFAOYSA-N 1 2 368.868 3.348 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCc3ncccc3C2)ccc1Cl ZINC000366432646 498924971 /nfs/dbraw/zinc/92/49/71/498924971.db2.gz GZYLVTXNTRWHLV-UHFFFAOYSA-N 1 2 368.868 3.348 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000328761663 498930088 /nfs/dbraw/zinc/93/00/88/498930088.db2.gz YEIQPMIOKKQXQE-RHSMWYFYSA-N 1 2 373.526 3.152 20 30 FGEDLO O=C(CC1(O)CCCCC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000328803115 498942956 /nfs/dbraw/zinc/94/29/56/498942956.db2.gz BFLVHTOQVNCUJF-OAHLLOKOSA-N 1 2 352.500 3.163 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](C3CCOCC3)C1)C2 ZINC000328851885 498961508 /nfs/dbraw/zinc/96/15/08/498961508.db2.gz SFBAOJPLNDSKPP-IRXDYDNUSA-N 1 2 374.529 3.158 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000570230502 506120427 /nfs/dbraw/zinc/12/04/27/506120427.db2.gz DWJMOEZYHRYEQI-UHFFFAOYSA-N 1 2 368.363 3.195 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333375416 498994406 /nfs/dbraw/zinc/99/44/06/498994406.db2.gz ZTHFLBKVOZPRNF-WTANOLMUSA-N 1 2 359.495 3.228 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333375416 498994412 /nfs/dbraw/zinc/99/44/12/498994412.db2.gz ZTHFLBKVOZPRNF-WTANOLMUSA-N 1 2 359.495 3.228 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000328959739 498998696 /nfs/dbraw/zinc/99/86/96/498998696.db2.gz KEIUAUOBDIWJLH-JQHSSLGASA-N 1 2 358.486 3.361 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000328959739 498998699 /nfs/dbraw/zinc/99/86/99/498998699.db2.gz KEIUAUOBDIWJLH-JQHSSLGASA-N 1 2 358.486 3.361 20 30 FGEDLO N#CCCn1cc(CNc2[nH]c(C(F)(F)F)c[nH+]2)c(-c2ccncc2)n1 ZINC000283842432 498998945 /nfs/dbraw/zinc/99/89/45/498998945.db2.gz DAODAKHCYXDISD-UHFFFAOYSA-N 1 2 361.331 3.213 20 30 FGEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328963253 498999865 /nfs/dbraw/zinc/99/98/65/498999865.db2.gz LJHZMCNDZWIFDE-SJORKVTESA-N 1 2 358.486 3.226 20 30 FGEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328963253 498999868 /nfs/dbraw/zinc/99/98/68/498999868.db2.gz LJHZMCNDZWIFDE-SJORKVTESA-N 1 2 358.486 3.226 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366705771 499041363 /nfs/dbraw/zinc/04/13/63/499041363.db2.gz VQEXXRXXCFGDDO-CQSZACIVSA-N 1 2 356.401 3.042 20 30 FGEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccco1 ZINC000299381299 499043234 /nfs/dbraw/zinc/04/32/34/499043234.db2.gz OBKOHDLOHKIXQR-UHFFFAOYSA-N 1 2 363.421 3.186 20 30 FGEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccco1 ZINC000299381299 499043241 /nfs/dbraw/zinc/04/32/41/499043241.db2.gz OBKOHDLOHKIXQR-UHFFFAOYSA-N 1 2 363.421 3.186 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@@]3(CCOC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329310895 499096236 /nfs/dbraw/zinc/09/62/36/499096236.db2.gz FZRNMQXNIZBEQK-OXJNMPFZSA-N 1 2 358.486 3.427 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCC(=O)N3)c[nH+]2)C[C@@H](C)O1 ZINC000329319624 499097887 /nfs/dbraw/zinc/09/78/87/499097887.db2.gz GEMSZKDVALFXBP-FMKPAKJESA-N 1 2 360.458 3.051 20 30 FGEDLO NC(=[NH+]OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCCO1 ZINC000284442254 499108682 /nfs/dbraw/zinc/10/86/82/499108682.db2.gz PLWMNSVRJFXKCN-ZDUSSCGKSA-N 1 2 355.316 3.328 20 30 FGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329406082 499115844 /nfs/dbraw/zinc/11/58/44/499115844.db2.gz ZIUVVIVQSOQSHK-KRWDZBQOSA-N 1 2 369.469 3.228 20 30 FGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329406082 499115846 /nfs/dbraw/zinc/11/58/46/499115846.db2.gz ZIUVVIVQSOQSHK-KRWDZBQOSA-N 1 2 369.469 3.228 20 30 FGEDLO COc1cc(CN[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1C#N ZINC000366923083 499116358 /nfs/dbraw/zinc/11/63/58/499116358.db2.gz RLOYNCIZXILUEZ-IBGZPJMESA-N 1 2 350.397 3.319 20 30 FGEDLO O=C(NCC1(c2ccncc2)CCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534490 499129513 /nfs/dbraw/zinc/12/95/13/499129513.db2.gz KWUKNBCBBWFDQY-LJQANCHMSA-N 1 2 357.498 3.493 20 30 FGEDLO O=C(NCC1(c2ccncc2)CCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329534490 499129514 /nfs/dbraw/zinc/12/95/14/499129514.db2.gz KWUKNBCBBWFDQY-LJQANCHMSA-N 1 2 357.498 3.493 20 30 FGEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369811911 499132365 /nfs/dbraw/zinc/13/23/65/499132365.db2.gz WCVVNONCNUKDHC-CQSZACIVSA-N 1 2 366.465 3.193 20 30 FGEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369811911 499132367 /nfs/dbraw/zinc/13/23/67/499132367.db2.gz WCVVNONCNUKDHC-CQSZACIVSA-N 1 2 366.465 3.193 20 30 FGEDLO N#Cc1ncn(C2CC[NH+](Cc3c(F)cccc3OC(F)(F)F)CC2)n1 ZINC000367041670 499138443 /nfs/dbraw/zinc/13/84/43/499138443.db2.gz ZKLFOBBCURWANA-UHFFFAOYSA-N 1 2 369.322 3.025 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000372532965 499141513 /nfs/dbraw/zinc/14/15/13/499141513.db2.gz RTSBKIGNTQNGCJ-UHFFFAOYSA-N 1 2 359.433 3.300 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372733287 499168015 /nfs/dbraw/zinc/16/80/15/499168015.db2.gz WKAFDUVYKJHZGE-LJQANCHMSA-N 1 2 356.429 3.301 20 30 FGEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000370081621 499176713 /nfs/dbraw/zinc/17/67/13/499176713.db2.gz MDMWTWKPLKYKMJ-UHFFFAOYSA-N 1 2 352.482 3.412 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310783 499178948 /nfs/dbraw/zinc/17/89/48/499178948.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310783 499178950 /nfs/dbraw/zinc/17/89/50/499178950.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000367310783 499178953 /nfs/dbraw/zinc/17/89/53/499178953.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000367310783 499178956 /nfs/dbraw/zinc/17/89/56/499178956.db2.gz VLYQFOYQYJKRCR-RBUKOAKNSA-N 1 2 359.433 3.214 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)no1 ZINC000370762920 499252140 /nfs/dbraw/zinc/25/21/40/499252140.db2.gz USPNLJCJBGDGGK-CQSZACIVSA-N 1 2 367.453 3.271 20 30 FGEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000371421169 499324855 /nfs/dbraw/zinc/32/48/55/499324855.db2.gz NPQFOFYDBUXRSN-FQEVSTJZSA-N 1 2 372.407 3.356 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000368771045 499330577 /nfs/dbraw/zinc/33/05/77/499330577.db2.gz VAFQIUSGSXOPGI-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000368771045 499330579 /nfs/dbraw/zinc/33/05/79/499330579.db2.gz VAFQIUSGSXOPGI-UHFFFAOYSA-N 1 2 362.264 3.367 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000369123737 499368042 /nfs/dbraw/zinc/36/80/42/499368042.db2.gz DLVJQRFBPQQOOW-VXKWHMMOSA-N 1 2 362.477 3.220 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000369123737 499368043 /nfs/dbraw/zinc/36/80/43/499368043.db2.gz DLVJQRFBPQQOOW-VXKWHMMOSA-N 1 2 362.477 3.220 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOCC3(CCC3)C2)c2ccccc21 ZINC000371899109 499376632 /nfs/dbraw/zinc/37/66/32/499376632.db2.gz LGMAOIMITLHUSP-UHFFFAOYSA-N 1 2 351.450 3.240 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOCC3(CCC3)C2)c2ccccc21 ZINC000371899109 499376634 /nfs/dbraw/zinc/37/66/34/499376634.db2.gz LGMAOIMITLHUSP-UHFFFAOYSA-N 1 2 351.450 3.240 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000369204076 499377131 /nfs/dbraw/zinc/37/71/31/499377131.db2.gz DQZHRDHHJSFDEP-UHFFFAOYSA-N 1 2 363.396 3.328 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000371923974 499380023 /nfs/dbraw/zinc/38/00/23/499380023.db2.gz WQUPUSWWILMGKM-IAGOWNOFSA-N 1 2 355.463 3.417 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000371923974 499380025 /nfs/dbraw/zinc/38/00/25/499380025.db2.gz WQUPUSWWILMGKM-IAGOWNOFSA-N 1 2 355.463 3.417 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373047233 499448756 /nfs/dbraw/zinc/44/87/56/499448756.db2.gz CRDRPPYAUHMVKI-QGZVFWFLSA-N 1 2 354.454 3.074 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000378260331 499495719 /nfs/dbraw/zinc/49/57/19/499495719.db2.gz HAZZZWVQMPOISB-SFHVURJKSA-N 1 2 371.444 3.236 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378264457 499496135 /nfs/dbraw/zinc/49/61/35/499496135.db2.gz KXDMJEYLQKYOET-CQSZACIVSA-N 1 2 353.426 3.100 20 30 FGEDLO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000375350015 499509613 /nfs/dbraw/zinc/50/96/13/499509613.db2.gz RSEFPXDPUBFIGS-ZDUSSCGKSA-N 1 2 355.442 3.006 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1OC ZINC000378504376 499525266 /nfs/dbraw/zinc/52/52/66/499525266.db2.gz PMXNJDMQVKHLFO-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375493686 499525699 /nfs/dbraw/zinc/52/56/99/499525699.db2.gz IUQDQXXSFRDIQK-BZUAXINKSA-N 1 2 350.422 3.083 20 30 FGEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000399298779 499568250 /nfs/dbraw/zinc/56/82/50/499568250.db2.gz FAZSFTKMTWKIFH-UHFFFAOYSA-N 1 2 350.260 3.403 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ncc(C#N)cc1Cl)CCCC2 ZINC000408037841 499574782 /nfs/dbraw/zinc/57/47/82/499574782.db2.gz IGSBKDLXMOOGHQ-INIZCTEOSA-N 1 2 369.856 3.196 20 30 FGEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCCC#N ZINC000376514248 499614205 /nfs/dbraw/zinc/61/42/05/499614205.db2.gz HVRKPTJQFNKYGN-HOCLYGCPSA-N 1 2 369.387 3.183 20 30 FGEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCCC#N ZINC000376514248 499614206 /nfs/dbraw/zinc/61/42/06/499614206.db2.gz HVRKPTJQFNKYGN-HOCLYGCPSA-N 1 2 369.387 3.183 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376962545 499649789 /nfs/dbraw/zinc/64/97/89/499649789.db2.gz VNSCAODKJYBSCD-IEBWSBKVSA-N 1 2 362.395 3.018 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376962545 499649791 /nfs/dbraw/zinc/64/97/91/499649791.db2.gz VNSCAODKJYBSCD-IEBWSBKVSA-N 1 2 362.395 3.018 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377316740 499679263 /nfs/dbraw/zinc/67/92/63/499679263.db2.gz LKGYWFADXCKKBD-RTBURBONSA-N 1 2 363.465 3.129 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411173718 499706695 /nfs/dbraw/zinc/70/66/95/499706695.db2.gz NJWUUMUAYPCGKZ-UHFFFAOYSA-N 1 2 364.449 3.256 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190649 499709026 /nfs/dbraw/zinc/70/90/26/499709026.db2.gz IENSASDIEHRTIV-BEFAXECRSA-N 1 2 358.442 3.026 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411190649 499709028 /nfs/dbraw/zinc/70/90/28/499709028.db2.gz IENSASDIEHRTIV-BEFAXECRSA-N 1 2 358.442 3.026 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2csnn2)c1 ZINC000412040970 499816187 /nfs/dbraw/zinc/81/61/87/499816187.db2.gz MWWWQVIGBCUNPA-HUUCEWRRSA-N 1 2 357.483 3.141 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932031 499961368 /nfs/dbraw/zinc/96/13/68/499961368.db2.gz PLPPMZJSCKBQRY-DVOMOZLQSA-N 1 2 356.388 3.158 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428932031 499961373 /nfs/dbraw/zinc/96/13/73/499961373.db2.gz PLPPMZJSCKBQRY-DVOMOZLQSA-N 1 2 356.388 3.158 20 30 FGEDLO Cc1cc(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425224369 500049251 /nfs/dbraw/zinc/04/92/51/500049251.db2.gz KYFVQWIQDIIPMI-HNNXBMFYSA-N 1 2 367.428 3.439 20 30 FGEDLO CCOc1ccc([C@H](C)NC(=O)CCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425227717 500049972 /nfs/dbraw/zinc/04/99/72/500049972.db2.gz AVAKTGSPIDXFCV-INIZCTEOSA-N 1 2 366.465 3.152 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000413824474 500067554 /nfs/dbraw/zinc/06/75/54/500067554.db2.gz CUOTUQQZIMOMQY-HXUWFJFHSA-N 1 2 364.493 3.409 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426154929 500242179 /nfs/dbraw/zinc/24/21/79/500242179.db2.gz XMVZWSQHAYBJGS-AWEZNQCLSA-N 1 2 357.845 3.432 20 30 FGEDLO CC(C)(C(=O)NCC1CC[NH+](CC(F)F)CC1)c1cc(F)cc(C#N)c1 ZINC000570528055 506187874 /nfs/dbraw/zinc/18/78/74/506187874.db2.gz ZGVKDYJHRVAHMS-UHFFFAOYSA-N 1 2 367.415 3.068 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000419406266 500362606 /nfs/dbraw/zinc/36/26/06/500362606.db2.gz IXXYZBHENRNWEE-OAHLLOKOSA-N 1 2 357.845 3.156 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000432315894 500497494 /nfs/dbraw/zinc/49/74/94/500497494.db2.gz SVRJNBWISIEBGQ-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO Cc1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000420849232 500515058 /nfs/dbraw/zinc/51/50/58/500515058.db2.gz NLIIXJHQPAGIKZ-UHFFFAOYSA-N 1 2 364.449 3.323 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000420879115 500520059 /nfs/dbraw/zinc/52/00/59/500520059.db2.gz BKEJWXAKXZTVOY-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](CC)O1 ZINC000420952834 500539812 /nfs/dbraw/zinc/53/98/12/500539812.db2.gz IOYTUQWJCWSKEZ-KURKYZTESA-N 1 2 373.497 3.220 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](CC)O1 ZINC000420952834 500539815 /nfs/dbraw/zinc/53/98/15/500539815.db2.gz IOYTUQWJCWSKEZ-KURKYZTESA-N 1 2 373.497 3.220 20 30 FGEDLO COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000442793905 500627180 /nfs/dbraw/zinc/62/71/80/500627180.db2.gz BYTNTSBECGXXFZ-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000442793905 500627182 /nfs/dbraw/zinc/62/71/82/500627182.db2.gz BYTNTSBECGXXFZ-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442885979 500640911 /nfs/dbraw/zinc/64/09/11/500640911.db2.gz PGCOTMPZWVMNKE-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000442885979 500640915 /nfs/dbraw/zinc/64/09/15/500640915.db2.gz PGCOTMPZWVMNKE-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726076 500653935 /nfs/dbraw/zinc/65/39/35/500653935.db2.gz DHBSGOBDXAADTG-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726076 500653938 /nfs/dbraw/zinc/65/39/38/500653938.db2.gz DHBSGOBDXAADTG-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000433294743 500663693 /nfs/dbraw/zinc/66/36/93/500663693.db2.gz AROUPSHLANOBIU-LJQANCHMSA-N 1 2 363.461 3.230 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)c(O)c2)c(C)c1 ZINC000443056686 500670777 /nfs/dbraw/zinc/67/07/77/500670777.db2.gz ZEYJIWBZXJRMPD-IBGZPJMESA-N 1 2 360.417 3.249 20 30 FGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437634897 500672333 /nfs/dbraw/zinc/67/23/33/500672333.db2.gz ISKSIRMWCQGPGY-SJORKVTESA-N 1 2 365.424 3.381 20 30 FGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437634897 500672336 /nfs/dbraw/zinc/67/23/36/500672336.db2.gz ISKSIRMWCQGPGY-SJORKVTESA-N 1 2 365.424 3.381 20 30 FGEDLO Cn1c(CCCNc2ccc(C(F)(F)F)c(C#N)n2)[nH+]c2ccccc21 ZINC000443507877 500731208 /nfs/dbraw/zinc/73/12/08/500731208.db2.gz HSUGMGHVHGVWSE-UHFFFAOYSA-N 1 2 359.355 3.325 20 30 FGEDLO O[C@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438065102 500733668 /nfs/dbraw/zinc/73/36/68/500733668.db2.gz VVYTYOIJISLTJZ-CQSZACIVSA-N 1 2 367.289 3.326 20 30 FGEDLO O[C@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438065102 500733670 /nfs/dbraw/zinc/73/36/70/500733670.db2.gz VVYTYOIJISLTJZ-CQSZACIVSA-N 1 2 367.289 3.326 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448730378 500816890 /nfs/dbraw/zinc/81/68/90/500816890.db2.gz WZRCGDIZGJUTDZ-OKILXGFUSA-N 1 2 352.438 3.056 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448730378 500816893 /nfs/dbraw/zinc/81/68/93/500816893.db2.gz WZRCGDIZGJUTDZ-OKILXGFUSA-N 1 2 352.438 3.056 20 30 FGEDLO Cc1ccc(Cl)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000434488498 500850356 /nfs/dbraw/zinc/85/03/56/500850356.db2.gz JBHKXRWTJJPUFH-UHFFFAOYSA-N 1 2 364.877 3.037 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)on1 ZINC000434665099 500876032 /nfs/dbraw/zinc/87/60/32/500876032.db2.gz ZBHCDFJVFFAZLG-HNNXBMFYSA-N 1 2 356.451 3.374 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)on1 ZINC000434665099 500876036 /nfs/dbraw/zinc/87/60/36/500876036.db2.gz ZBHCDFJVFFAZLG-HNNXBMFYSA-N 1 2 356.451 3.374 20 30 FGEDLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CCC#N ZINC000439322253 500884865 /nfs/dbraw/zinc/88/48/65/500884865.db2.gz CZWMNOGXVKSWHD-ZDUSSCGKSA-N 1 2 352.276 3.032 20 30 FGEDLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CCC#N ZINC000439322253 500884867 /nfs/dbraw/zinc/88/48/67/500884867.db2.gz CZWMNOGXVKSWHD-ZDUSSCGKSA-N 1 2 352.276 3.032 20 30 FGEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765951 500894551 /nfs/dbraw/zinc/89/45/51/500894551.db2.gz FSBHRGSRXSOVIQ-CQSZACIVSA-N 1 2 362.905 3.027 20 30 FGEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444775363 500897112 /nfs/dbraw/zinc/89/71/12/500897112.db2.gz ICFSHHNTINECLA-HUUCEWRRSA-N 1 2 362.905 3.027 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000435039346 500925337 /nfs/dbraw/zinc/92/53/37/500925337.db2.gz FCIIXHCRAJDCKM-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000435043580 500926002 /nfs/dbraw/zinc/92/60/02/500926002.db2.gz BTMJRRSZIHWHPM-OAQYLSRUSA-N 1 2 374.444 3.149 20 30 FGEDLO CSc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000435388846 500966111 /nfs/dbraw/zinc/96/61/11/500966111.db2.gz JDYJIPKHCHPWBG-UHFFFAOYSA-N 1 2 369.465 3.377 20 30 FGEDLO Cc1c(Cl)cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1C#N ZINC000435601473 501000106 /nfs/dbraw/zinc/00/01/06/501000106.db2.gz MXKCUXSXPSUMFJ-MOPGFXCFSA-N 1 2 368.868 3.005 20 30 FGEDLO Cc1c(Cl)cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1C#N ZINC000435601473 501000109 /nfs/dbraw/zinc/00/01/09/501000109.db2.gz MXKCUXSXPSUMFJ-MOPGFXCFSA-N 1 2 368.868 3.005 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435603224 501000397 /nfs/dbraw/zinc/00/03/97/501000397.db2.gz ZHSFNPMIAHKFHS-MAUKXSAKSA-N 1 2 354.410 3.175 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C(C)C)nc2)c(C#N)c1C ZINC000440453537 501009704 /nfs/dbraw/zinc/00/97/04/501009704.db2.gz DUWJGAHKBPQMRA-CYBMUJFWSA-N 1 2 355.442 3.141 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)c(C#N)c1C ZINC000440453537 501009707 /nfs/dbraw/zinc/00/97/07/501009707.db2.gz DUWJGAHKBPQMRA-CYBMUJFWSA-N 1 2 355.442 3.141 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000440987459 501072117 /nfs/dbraw/zinc/07/21/17/501072117.db2.gz PFMCMIIMHOIUSD-UHFFFAOYSA-N 1 2 351.454 3.061 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000449867440 501112205 /nfs/dbraw/zinc/11/22/05/501112205.db2.gz GOZLRXXGHAIJGZ-GOSISDBHSA-N 1 2 365.477 3.094 20 30 FGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 ZINC000441313840 501119284 /nfs/dbraw/zinc/11/92/84/501119284.db2.gz VIKZLBHTQQIRGJ-ZDUSSCGKSA-N 1 2 350.484 3.466 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450529222 501145928 /nfs/dbraw/zinc/14/59/28/501145928.db2.gz MRVZJKALWHKTFW-UHFFFAOYSA-N 1 2 352.438 3.364 20 30 FGEDLO Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)ccc1C#N ZINC000446764046 501162604 /nfs/dbraw/zinc/16/26/04/501162604.db2.gz CKXHTSBZQRVWHW-UHFFFAOYSA-N 1 2 355.341 3.019 20 30 FGEDLO N#CC1(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCC1 ZINC000450903597 501226834 /nfs/dbraw/zinc/22/68/34/501226834.db2.gz MBVVQKAQCVYASN-UHFFFAOYSA-N 1 2 366.278 3.400 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000455393167 501290676 /nfs/dbraw/zinc/29/06/76/501290676.db2.gz CBHAOAIHZHVYEQ-UHFFFAOYSA-N 1 2 364.371 3.202 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3nc4ncccc4cc3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000596077367 506245064 /nfs/dbraw/zinc/24/50/64/506245064.db2.gz VFBHRYKAMRSEPQ-HUUCEWRRSA-N 1 2 374.448 3.122 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455753163 501379336 /nfs/dbraw/zinc/37/93/36/501379336.db2.gz DJLNXNIRCZLVNM-UHFFFAOYSA-N 1 2 360.849 3.310 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cnc(C#N)c(Cl)c2)c1C ZINC000455796642 501387860 /nfs/dbraw/zinc/38/78/60/501387860.db2.gz VEVMODPCMRXPJQ-UHFFFAOYSA-N 1 2 359.817 3.291 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451875918 501390823 /nfs/dbraw/zinc/39/08/23/501390823.db2.gz DSNZTWDTAUFELC-YJBOKZPZSA-N 1 2 353.470 3.098 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451875918 501390825 /nfs/dbraw/zinc/39/08/25/501390825.db2.gz DSNZTWDTAUFELC-YJBOKZPZSA-N 1 2 353.470 3.098 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000456007524 501436909 /nfs/dbraw/zinc/43/69/09/501436909.db2.gz RJEFRLLLGONFBQ-KRWDZBQOSA-N 1 2 370.478 3.123 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCCC1)c1cccc(F)c1 ZINC000596108408 506263328 /nfs/dbraw/zinc/26/33/28/506263328.db2.gz JSFYNLQGXMCGIG-QGZVFWFLSA-N 1 2 369.444 3.422 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N ZINC000459262910 501621390 /nfs/dbraw/zinc/62/13/90/501621390.db2.gz WFKNTOLOZIFZJA-INIZCTEOSA-N 1 2 353.470 3.459 20 30 FGEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000459283611 501624746 /nfs/dbraw/zinc/62/47/46/501624746.db2.gz ABKQDUAPTRJENO-HNNXBMFYSA-N 1 2 353.378 3.128 20 30 FGEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000459283611 501624749 /nfs/dbraw/zinc/62/47/49/501624749.db2.gz ABKQDUAPTRJENO-HNNXBMFYSA-N 1 2 353.378 3.128 20 30 FGEDLO C=C[C@](C)(CC)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456979787 501628983 /nfs/dbraw/zinc/62/89/83/501628983.db2.gz JNNKYPZUJNKTNQ-MRXNPFEDSA-N 1 2 368.275 3.222 20 30 FGEDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459326932 501631649 /nfs/dbraw/zinc/63/16/49/501631649.db2.gz NRZAQBMMVDODRA-OAHLLOKOSA-N 1 2 367.405 3.278 20 30 FGEDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459326932 501631650 /nfs/dbraw/zinc/63/16/50/501631650.db2.gz NRZAQBMMVDODRA-OAHLLOKOSA-N 1 2 367.405 3.278 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000459364759 501639673 /nfs/dbraw/zinc/63/96/73/501639673.db2.gz AKIZRLURTNPWKF-FQEVSTJZSA-N 1 2 351.406 3.240 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000459364759 501639676 /nfs/dbraw/zinc/63/96/76/501639676.db2.gz AKIZRLURTNPWKF-FQEVSTJZSA-N 1 2 351.406 3.240 20 30 FGEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459367995 501641054 /nfs/dbraw/zinc/64/10/54/501641054.db2.gz OPZQGJRBSIDFFE-HNNXBMFYSA-N 1 2 354.414 3.018 20 30 FGEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459367995 501641057 /nfs/dbraw/zinc/64/10/57/501641057.db2.gz OPZQGJRBSIDFFE-HNNXBMFYSA-N 1 2 354.414 3.018 20 30 FGEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OC ZINC000459389723 501644906 /nfs/dbraw/zinc/64/49/06/501644906.db2.gz HRKOSYFFUIJRBN-LLVKDONJSA-N 1 2 359.357 3.474 20 30 FGEDLO CCCCNC(=O)C1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCCC1 ZINC000459399196 501646790 /nfs/dbraw/zinc/64/67/90/501646790.db2.gz ZKOMSVWCFJBPNH-UHFFFAOYSA-N 1 2 358.442 3.175 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H]3CCC[C@H]3C#N)n2)cc1 ZINC000459462403 501658319 /nfs/dbraw/zinc/65/83/19/501658319.db2.gz JNXOIRRNRIDFLV-DUVNUKRYSA-N 1 2 370.478 3.428 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459489410 501662805 /nfs/dbraw/zinc/66/28/05/501662805.db2.gz JYBMASRGOUDFPE-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459489410 501662807 /nfs/dbraw/zinc/66/28/07/501662807.db2.gz JYBMASRGOUDFPE-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459755768 501709054 /nfs/dbraw/zinc/70/90/54/501709054.db2.gz FQUVLMNHRHZYCB-HNNXBMFYSA-N 1 2 360.454 3.034 20 30 FGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459755768 501709056 /nfs/dbraw/zinc/70/90/56/501709056.db2.gz FQUVLMNHRHZYCB-HNNXBMFYSA-N 1 2 360.454 3.034 20 30 FGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000474203487 501742274 /nfs/dbraw/zinc/74/22/74/501742274.db2.gz IJSFUHGQFHSLRX-JOCHJYFZSA-N 1 2 372.472 3.290 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1C ZINC000485344135 501792981 /nfs/dbraw/zinc/79/29/81/501792981.db2.gz ILKSERIIWUMJIS-OALUTQOASA-N 1 2 359.514 3.195 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1C ZINC000485344135 501792987 /nfs/dbraw/zinc/79/29/87/501792987.db2.gz ILKSERIIWUMJIS-OALUTQOASA-N 1 2 359.514 3.195 20 30 FGEDLO C=CCOCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000470788967 501803485 /nfs/dbraw/zinc/80/34/85/501803485.db2.gz IMNFEISEOPNBTK-HNNXBMFYSA-N 1 2 356.260 3.188 20 30 FGEDLO C=CCOCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000470788967 501803487 /nfs/dbraw/zinc/80/34/87/501803487.db2.gz IMNFEISEOPNBTK-HNNXBMFYSA-N 1 2 356.260 3.188 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C1=O ZINC000467512400 501812520 /nfs/dbraw/zinc/81/25/20/501812520.db2.gz OMEZTYQIILDLAY-IBGZPJMESA-N 1 2 352.482 3.214 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C(C)C)C1=O ZINC000467512400 501812525 /nfs/dbraw/zinc/81/25/25/501812525.db2.gz OMEZTYQIILDLAY-IBGZPJMESA-N 1 2 352.482 3.214 20 30 FGEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000460410374 501818688 /nfs/dbraw/zinc/81/86/88/501818688.db2.gz ZPYOGPIWMIQXFH-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707942 501857431 /nfs/dbraw/zinc/85/74/31/501857431.db2.gz WCYCAGARYSKICH-IRLDBZIGSA-N 1 2 362.429 3.294 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707942 501857436 /nfs/dbraw/zinc/85/74/36/501857436.db2.gz WCYCAGARYSKICH-IRLDBZIGSA-N 1 2 362.429 3.294 20 30 FGEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)OCC ZINC000474657577 501912079 /nfs/dbraw/zinc/91/20/79/501912079.db2.gz LVDHSDMYQQTZFC-SFHVURJKSA-N 1 2 350.890 3.186 20 30 FGEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)OCC ZINC000474657577 501912083 /nfs/dbraw/zinc/91/20/83/501912083.db2.gz LVDHSDMYQQTZFC-SFHVURJKSA-N 1 2 350.890 3.186 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000478345953 501950798 /nfs/dbraw/zinc/95/07/98/501950798.db2.gz SYSGAKOSNADFDG-UXHICEINSA-N 1 2 369.415 3.061 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000478345953 501950803 /nfs/dbraw/zinc/95/08/03/501950803.db2.gz SYSGAKOSNADFDG-UXHICEINSA-N 1 2 369.415 3.061 20 30 FGEDLO C=CCN(CCOC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000478435453 501981311 /nfs/dbraw/zinc/98/13/11/501981311.db2.gz ZHKWJOWKLNKPAN-AWEZNQCLSA-N 1 2 352.504 3.041 20 30 FGEDLO C=CCN(CCOC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000478435453 501981316 /nfs/dbraw/zinc/98/13/16/501981316.db2.gz ZHKWJOWKLNKPAN-AWEZNQCLSA-N 1 2 352.504 3.041 20 30 FGEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000475072402 502044519 /nfs/dbraw/zinc/04/45/19/502044519.db2.gz DKTYTFXKJYEHNC-INIZCTEOSA-N 1 2 365.905 3.321 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cc(C#N)ccn2)CC1 ZINC000468699332 502151635 /nfs/dbraw/zinc/15/16/35/502151635.db2.gz UAVZVAVVUFKZBG-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)c1cccc(C#N)c1 ZINC000461782208 502199301 /nfs/dbraw/zinc/19/93/01/502199301.db2.gz AAKQHUSNRSSXMY-KUHUBIRLSA-N 1 2 362.408 3.440 20 30 FGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1F ZINC000468834243 502199385 /nfs/dbraw/zinc/19/93/85/502199385.db2.gz FRDWXRCGGRAUFV-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602790387 506300002 /nfs/dbraw/zinc/30/00/02/506300002.db2.gz DVLNKETYTUORSK-MRXNPFEDSA-N 1 2 351.454 3.109 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)ccc1C#N ZINC000486693869 502234228 /nfs/dbraw/zinc/23/42/28/502234228.db2.gz BBAPQFOZHBKBRT-UHFFFAOYSA-N 1 2 372.472 3.235 20 30 FGEDLO CC#CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000483018731 502246764 /nfs/dbraw/zinc/24/67/64/502246764.db2.gz QOYFQLGLKSQCSU-MRXNPFEDSA-N 1 2 351.853 3.156 20 30 FGEDLO CC#CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000483018731 502246768 /nfs/dbraw/zinc/24/67/68/502246768.db2.gz QOYFQLGLKSQCSU-MRXNPFEDSA-N 1 2 351.853 3.156 20 30 FGEDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000468978800 502250988 /nfs/dbraw/zinc/25/09/88/502250988.db2.gz LRMQGZJZOSZMDO-UWVGGRQHSA-N 1 2 360.405 3.154 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)no1 ZINC000461953490 502251045 /nfs/dbraw/zinc/25/10/45/502251045.db2.gz DHQGBHAFTRUPTJ-HNNXBMFYSA-N 1 2 374.876 3.097 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)no1 ZINC000461953490 502251047 /nfs/dbraw/zinc/25/10/47/502251047.db2.gz DHQGBHAFTRUPTJ-HNNXBMFYSA-N 1 2 374.876 3.097 20 30 FGEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000461957393 502253196 /nfs/dbraw/zinc/25/31/96/502253196.db2.gz KDAIQLVATYFIGN-ZWKOTPCHSA-N 1 2 351.454 3.007 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462026821 502279347 /nfs/dbraw/zinc/27/93/47/502279347.db2.gz OPTNCERXTGAITJ-QGZVFWFLSA-N 1 2 363.461 3.015 20 30 FGEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000483251950 502327447 /nfs/dbraw/zinc/32/74/47/502327447.db2.gz UPHDPWUPIFFQPO-LBPRGKRZSA-N 1 2 363.177 3.395 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000479886581 502408710 /nfs/dbraw/zinc/40/87/10/502408710.db2.gz NHZNGGLOYNIBIG-ZSZQSSIHSA-N 1 2 356.495 3.265 20 30 FGEDLO C=CC[N@@H+](Cc1nc(CCCC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211369 506313176 /nfs/dbraw/zinc/31/31/76/506313176.db2.gz VITVZOHEGXHLIS-OAHLLOKOSA-N 1 2 367.457 3.137 20 30 FGEDLO C=CC[N@H+](Cc1nc(CCCC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211369 506313182 /nfs/dbraw/zinc/31/31/82/506313182.db2.gz VITVZOHEGXHLIS-OAHLLOKOSA-N 1 2 367.457 3.137 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOc2ccc(C#N)cc2)C3)cc1 ZINC000487984564 502590724 /nfs/dbraw/zinc/59/07/24/502590724.db2.gz ZHFMBQKAXHQOML-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOc2ccc(C#N)cc2)C3)cc1 ZINC000487984564 502590732 /nfs/dbraw/zinc/59/07/32/502590732.db2.gz ZHFMBQKAXHQOML-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C(N)=O)cc1 ZINC000487989715 502593047 /nfs/dbraw/zinc/59/30/47/502593047.db2.gz FFKQMHBWGSJTDM-HNNXBMFYSA-N 1 2 369.293 3.171 20 30 FGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858048 506330057 /nfs/dbraw/zinc/33/00/57/506330057.db2.gz YCKWLORZEBQERP-BZSNNMDCSA-N 1 2 356.514 3.364 20 30 FGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000463361389 502770777 /nfs/dbraw/zinc/77/07/77/502770777.db2.gz NNOCJFNHMMOKEN-LBPRGKRZSA-N 1 2 353.260 3.165 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000513107911 502854290 /nfs/dbraw/zinc/85/42/90/502854290.db2.gz JDYSCHHPIRRBIP-UHFFFAOYSA-N 1 2 362.905 3.497 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896490 506341000 /nfs/dbraw/zinc/34/10/00/506341000.db2.gz RRLUBSOVYOYWPQ-OAQYLSRUSA-N 1 2 374.444 3.221 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489298133 502922038 /nfs/dbraw/zinc/92/20/38/502922038.db2.gz RCXQNSVVAPHSEU-MRXNPFEDSA-N 1 2 374.909 3.329 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489298133 502922040 /nfs/dbraw/zinc/92/20/40/502922040.db2.gz RCXQNSVVAPHSEU-MRXNPFEDSA-N 1 2 374.909 3.329 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501064136 502925867 /nfs/dbraw/zinc/92/58/67/502925867.db2.gz TXYCNEKLORKIEJ-LPHOPBHVSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501064136 502925870 /nfs/dbraw/zinc/92/58/70/502925870.db2.gz TXYCNEKLORKIEJ-LPHOPBHVSA-N 1 2 352.434 3.408 20 30 FGEDLO COCC1(C#N)CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000501336635 502987530 /nfs/dbraw/zinc/98/75/30/502987530.db2.gz NNJUYXNCUPWLQU-UHFFFAOYSA-N 1 2 351.406 3.266 20 30 FGEDLO CCOc1ccc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000497584337 502994025 /nfs/dbraw/zinc/99/40/25/502994025.db2.gz FAXUFZSTBVKLEK-UHFFFAOYSA-N 1 2 365.477 3.154 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505884183 503005356 /nfs/dbraw/zinc/00/53/56/503005356.db2.gz GKTVEOYTFUWWBB-PXNSSMCTSA-N 1 2 350.418 3.173 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505884183 503005360 /nfs/dbraw/zinc/00/53/60/503005360.db2.gz GKTVEOYTFUWWBB-PXNSSMCTSA-N 1 2 350.418 3.173 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489696047 503013672 /nfs/dbraw/zinc/01/36/72/503013672.db2.gz IINHYBCEBWOJBI-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489696047 503013677 /nfs/dbraw/zinc/01/36/77/503013677.db2.gz IINHYBCEBWOJBI-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000505939007 503016613 /nfs/dbraw/zinc/01/66/13/503016613.db2.gz SEXRNLXYPXQFMO-UHFFFAOYSA-N 1 2 364.836 3.429 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000501557562 503037219 /nfs/dbraw/zinc/03/72/19/503037219.db2.gz VVOFGHGBKRNNLX-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501869182 503098151 /nfs/dbraw/zinc/09/81/51/503098151.db2.gz HDJJTJWDESSUAR-HOCLYGCPSA-N 1 2 368.403 3.088 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501869182 503098153 /nfs/dbraw/zinc/09/81/53/503098153.db2.gz HDJJTJWDESSUAR-HOCLYGCPSA-N 1 2 368.403 3.088 20 30 FGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000490157300 503119454 /nfs/dbraw/zinc/11/94/54/503119454.db2.gz GWLFRLXCZSRWPI-AWEZNQCLSA-N 1 2 354.385 3.489 20 30 FGEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1C#N)c1cccc(OC)c1 ZINC000510777542 503190597 /nfs/dbraw/zinc/19/05/97/503190597.db2.gz KYDGYIBHRGTMEA-HXUWFJFHSA-N 1 2 356.397 3.274 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000510945700 503222739 /nfs/dbraw/zinc/22/27/39/503222739.db2.gz JHZCSSJYDPVDAJ-AWEZNQCLSA-N 1 2 356.228 3.426 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000510947125 503222895 /nfs/dbraw/zinc/22/28/95/503222895.db2.gz CQDSAOLYHOWSQF-FQEVSTJZSA-N 1 2 365.452 3.414 20 30 FGEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000502634983 503242479 /nfs/dbraw/zinc/24/24/79/503242479.db2.gz GAOCGIJJZLAWGB-LJQANCHMSA-N 1 2 354.410 3.072 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000602943143 506360621 /nfs/dbraw/zinc/36/06/21/506360621.db2.gz PJAWUUNTGVNLFP-CYBMUJFWSA-N 1 2 357.483 3.040 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000602943143 506360628 /nfs/dbraw/zinc/36/06/28/506360628.db2.gz PJAWUUNTGVNLFP-CYBMUJFWSA-N 1 2 357.483 3.040 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000507300489 503273412 /nfs/dbraw/zinc/27/34/12/503273412.db2.gz BTBOXHJHSDIFHG-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)o2)cc1 ZINC000593054584 506361860 /nfs/dbraw/zinc/36/18/60/506361860.db2.gz LBXQJQAPFNBSLM-UHFFFAOYSA-N 1 2 366.318 3.475 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491378195 503301815 /nfs/dbraw/zinc/30/18/15/503301815.db2.gz BWJWJUAEGUQANH-UHFFFAOYSA-N 1 2 367.449 3.076 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491378195 503301817 /nfs/dbraw/zinc/30/18/17/503301817.db2.gz BWJWJUAEGUQANH-UHFFFAOYSA-N 1 2 367.449 3.076 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000507458830 503302348 /nfs/dbraw/zinc/30/23/48/503302348.db2.gz HNQZVLBTXHQJJD-UHFFFAOYSA-N 1 2 358.442 3.321 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000515387792 503328997 /nfs/dbraw/zinc/32/89/97/503328997.db2.gz JQEUKCLFIMCDDQ-LBPRGKRZSA-N 1 2 366.343 3.365 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1Cl ZINC000503042176 503332369 /nfs/dbraw/zinc/33/23/69/503332369.db2.gz OAPSRSWJESAINT-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1Cl ZINC000503042176 503332371 /nfs/dbraw/zinc/33/23/71/503332371.db2.gz OAPSRSWJESAINT-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(C#N)ccc1Br ZINC000492414104 503367831 /nfs/dbraw/zinc/36/78/31/503367831.db2.gz ACYYISITWYFZDJ-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C#N)ccc1Br ZINC000492414104 503367834 /nfs/dbraw/zinc/36/78/34/503367834.db2.gz ACYYISITWYFZDJ-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000515760394 503397686 /nfs/dbraw/zinc/39/76/86/503397686.db2.gz SIOQDGBNNJYTGU-QPJJXVBHSA-N 1 2 366.509 3.357 20 30 FGEDLO CN(C(=O)c1ncc(C#N)cc1Cl)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000493248412 503415695 /nfs/dbraw/zinc/41/56/95/503415695.db2.gz NJOXJKXFJAHBFP-MRXNPFEDSA-N 1 2 351.797 3.191 20 30 FGEDLO Cc1ccn2cc(CNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)[nH+]c2c1 ZINC000515987918 503428548 /nfs/dbraw/zinc/42/85/48/503428548.db2.gz UJTSYMMFWKQDTA-FQEVSTJZSA-N 1 2 362.433 3.234 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602974404 506370797 /nfs/dbraw/zinc/37/07/97/506370797.db2.gz NWSXRYPPTQUUOF-QUCCMNQESA-N 1 2 351.450 3.432 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602974404 506370801 /nfs/dbraw/zinc/37/08/01/506370801.db2.gz NWSXRYPPTQUUOF-QUCCMNQESA-N 1 2 351.450 3.432 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)c1C#N ZINC000516220132 503474331 /nfs/dbraw/zinc/47/43/31/503474331.db2.gz MPRWLQGPOPWMAC-UHFFFAOYSA-N 1 2 361.540 3.399 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(CO)o1 ZINC000512184300 503479640 /nfs/dbraw/zinc/47/96/40/503479640.db2.gz XCLLDCNSAQLZGZ-UHFFFAOYSA-N 1 2 368.886 3.181 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(CO)o1 ZINC000512184300 503479643 /nfs/dbraw/zinc/47/96/43/503479643.db2.gz XCLLDCNSAQLZGZ-UHFFFAOYSA-N 1 2 368.886 3.181 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000512213010 503487755 /nfs/dbraw/zinc/48/77/55/503487755.db2.gz NCPWLXCUHXQKSG-MRXNPFEDSA-N 1 2 372.465 3.494 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000512213010 503487758 /nfs/dbraw/zinc/48/77/58/503487758.db2.gz NCPWLXCUHXQKSG-MRXNPFEDSA-N 1 2 372.465 3.494 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000512224443 503491695 /nfs/dbraw/zinc/49/16/95/503491695.db2.gz BXBLMOGXHPIBDR-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000512224443 503491701 /nfs/dbraw/zinc/49/17/01/503491701.db2.gz BXBLMOGXHPIBDR-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000512231243 503492947 /nfs/dbraw/zinc/49/29/47/503492947.db2.gz XLUHXAOKIBXNDF-MRXNPFEDSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000512231243 503492948 /nfs/dbraw/zinc/49/29/48/503492948.db2.gz XLUHXAOKIBXNDF-MRXNPFEDSA-N 1 2 354.450 3.128 20 30 FGEDLO N#Cc1ccccc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494246774 503510920 /nfs/dbraw/zinc/51/09/20/503510920.db2.gz DWRRKLYGLVEPGI-UHFFFAOYSA-N 1 2 351.269 3.377 20 30 FGEDLO N#Cc1ccccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494246774 503510925 /nfs/dbraw/zinc/51/09/25/503510925.db2.gz DWRRKLYGLVEPGI-UHFFFAOYSA-N 1 2 351.269 3.377 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000494244855 503510937 /nfs/dbraw/zinc/51/09/37/503510937.db2.gz MDVPDTKTMDPVQQ-WMZOPIPTSA-N 1 2 354.454 3.268 20 30 FGEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccccc1C#N ZINC000499938408 503515035 /nfs/dbraw/zinc/51/50/35/503515035.db2.gz JQJDUCKWOFPOCW-MEDUHNTESA-N 1 2 361.804 3.001 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C1=O ZINC000500026753 503536428 /nfs/dbraw/zinc/53/64/28/503536428.db2.gz SJOFSYAJPBXZOE-LJQANCHMSA-N 1 2 369.440 3.018 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C1=O ZINC000500026753 503536431 /nfs/dbraw/zinc/53/64/31/503536431.db2.gz SJOFSYAJPBXZOE-LJQANCHMSA-N 1 2 369.440 3.018 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000533130910 503739763 /nfs/dbraw/zinc/73/97/63/503739763.db2.gz CAEYLRRHMAZJCR-ZACQAIPSSA-N 1 2 370.497 3.452 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000533130910 503739766 /nfs/dbraw/zinc/73/97/66/503739766.db2.gz CAEYLRRHMAZJCR-ZACQAIPSSA-N 1 2 370.497 3.452 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000543543487 503807153 /nfs/dbraw/zinc/80/71/53/503807153.db2.gz UJOQGMWGZIEIFE-HUUCEWRRSA-N 1 2 372.444 3.424 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000543542997 503807900 /nfs/dbraw/zinc/80/79/00/503807900.db2.gz RLAVRSTVLOCNMG-OAHLLOKOSA-N 1 2 354.454 3.150 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000533537621 503880084 /nfs/dbraw/zinc/88/00/84/503880084.db2.gz SFIHVJWINVAODY-SFHVURJKSA-N 1 2 367.474 3.182 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000533537621 503880085 /nfs/dbraw/zinc/88/00/85/503880085.db2.gz SFIHVJWINVAODY-SFHVURJKSA-N 1 2 367.474 3.182 20 30 FGEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000533606889 503901704 /nfs/dbraw/zinc/90/17/04/503901704.db2.gz PYBFUDICBIJLTQ-QGZVFWFLSA-N 1 2 372.490 3.042 20 30 FGEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000533606889 503901710 /nfs/dbraw/zinc/90/17/10/503901710.db2.gz PYBFUDICBIJLTQ-QGZVFWFLSA-N 1 2 372.490 3.042 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561299 503952847 /nfs/dbraw/zinc/95/28/47/503952847.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 1 2 373.545 3.456 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561299 503952853 /nfs/dbraw/zinc/95/28/53/503952853.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 1 2 373.545 3.456 20 30 FGEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000541023945 503978504 /nfs/dbraw/zinc/97/85/04/503978504.db2.gz SCGMDIZMVJGBAB-LLVKDONJSA-N 1 2 350.806 3.201 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000537679898 504003327 /nfs/dbraw/zinc/00/33/27/504003327.db2.gz VCRMWAVJGXFRRP-ZWKOTPCHSA-N 1 2 359.489 3.093 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000537679898 504003332 /nfs/dbraw/zinc/00/33/32/504003332.db2.gz VCRMWAVJGXFRRP-ZWKOTPCHSA-N 1 2 359.489 3.093 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683304 504004323 /nfs/dbraw/zinc/00/43/23/504004323.db2.gz IHIHXVJYLAFUFU-HUUCEWRRSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683304 504004329 /nfs/dbraw/zinc/00/43/29/504004329.db2.gz IHIHXVJYLAFUFU-HUUCEWRRSA-N 1 2 351.425 3.321 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)C1CC1 ZINC000537854404 504065834 /nfs/dbraw/zinc/06/58/34/504065834.db2.gz IMFOELDXXYAZKI-UHFFFAOYSA-N 1 2 373.478 3.416 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)C1CC1 ZINC000537854404 504065836 /nfs/dbraw/zinc/06/58/36/504065836.db2.gz IMFOELDXXYAZKI-UHFFFAOYSA-N 1 2 373.478 3.416 20 30 FGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000518930315 504095901 /nfs/dbraw/zinc/09/59/01/504095901.db2.gz BLYJNNXGSDTBHW-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000518930315 504095903 /nfs/dbraw/zinc/09/59/03/504095903.db2.gz BLYJNNXGSDTBHW-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000547418088 504096775 /nfs/dbraw/zinc/09/67/75/504096775.db2.gz XVBZTUGXRBMSLS-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000518998474 504113889 /nfs/dbraw/zinc/11/38/89/504113889.db2.gz LGPNJUCVMVDZFB-NSHDSACASA-N 1 2 351.332 3.008 20 30 FGEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1c(C)nn(C)c1C ZINC000544423923 504128985 /nfs/dbraw/zinc/12/89/85/504128985.db2.gz IFMDGZRWHYGFAR-MRXNPFEDSA-N 1 2 350.426 3.200 20 30 FGEDLO C=CCOc1cccnc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000538257665 504179064 /nfs/dbraw/zinc/17/90/64/504179064.db2.gz NYVQNRQNKKEUBA-UHFFFAOYSA-N 1 2 367.449 3.039 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000538512649 504269260 /nfs/dbraw/zinc/26/92/60/504269260.db2.gz XTIYODBJTFSHIQ-UHFFFAOYSA-N 1 2 364.411 3.390 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000538512649 504269265 /nfs/dbraw/zinc/26/92/65/504269265.db2.gz XTIYODBJTFSHIQ-UHFFFAOYSA-N 1 2 364.411 3.390 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547995148 504286565 /nfs/dbraw/zinc/28/65/65/504286565.db2.gz RQBCGENRGCPIDI-ZIAGYGMSSA-N 1 2 355.467 3.414 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000531434573 504306019 /nfs/dbraw/zinc/30/60/19/504306019.db2.gz PIXXDNGYNZAFQA-UHFFFAOYSA-N 1 2 360.417 3.143 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000519696529 504306868 /nfs/dbraw/zinc/30/68/68/504306868.db2.gz XAMHGFLHARMCCR-ZDUSSCGKSA-N 1 2 358.243 3.168 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000535211671 504374521 /nfs/dbraw/zinc/37/45/21/504374521.db2.gz PGBQRFMBZHRWQJ-HNNXBMFYSA-N 1 2 372.465 3.289 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1C#N ZINC000535211671 504374524 /nfs/dbraw/zinc/37/45/24/504374524.db2.gz PGBQRFMBZHRWQJ-HNNXBMFYSA-N 1 2 372.465 3.289 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000520209285 504436249 /nfs/dbraw/zinc/43/62/49/504436249.db2.gz QXOFWPXBIPRGIV-UHFFFAOYSA-N 1 2 354.450 3.332 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000520209285 504436252 /nfs/dbraw/zinc/43/62/52/504436252.db2.gz QXOFWPXBIPRGIV-UHFFFAOYSA-N 1 2 354.450 3.332 20 30 FGEDLO CCC(C#N)(CC)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000529028557 504501150 /nfs/dbraw/zinc/50/11/50/504501150.db2.gz ATAHNGGFLCHCCH-UHFFFAOYSA-N 1 2 363.259 3.351 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000545506265 504509967 /nfs/dbraw/zinc/50/99/67/504509967.db2.gz UPTSPOUQVVLSFH-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cc1csc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000520603825 504538243 /nfs/dbraw/zinc/53/82/43/504538243.db2.gz CEGVBGSZKPEVFR-KRWDZBQOSA-N 1 2 370.478 3.123 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000542587088 504546857 /nfs/dbraw/zinc/54/68/57/504546857.db2.gz MUZKUBYWUZEFNX-CYBMUJFWSA-N 1 2 356.495 3.279 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1F ZINC000548745552 504550259 /nfs/dbraw/zinc/55/02/59/504550259.db2.gz PHJHGLYBSWNODP-UHFFFAOYSA-N 1 2 352.413 3.403 20 30 FGEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000539492469 504588760 /nfs/dbraw/zinc/58/87/60/504588760.db2.gz XBQGITORDQTXSU-KSSFIOAISA-N 1 2 359.470 3.233 20 30 FGEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1C#N ZINC000543139028 504739193 /nfs/dbraw/zinc/73/91/93/504739193.db2.gz SVIXTJCNFULALN-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000565168816 504814348 /nfs/dbraw/zinc/81/43/48/504814348.db2.gz FMXBHRMPPKNRNB-NSHDSACASA-N 1 2 350.394 3.309 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)on2)c1 ZINC000562497841 504837012 /nfs/dbraw/zinc/83/70/12/504837012.db2.gz WSDDNVSORQPABG-UHFFFAOYSA-N 1 2 373.416 3.007 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1Cc1ccccc1 ZINC000549832725 504910380 /nfs/dbraw/zinc/91/03/80/504910380.db2.gz DLCAKPAKASYEQQ-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1Cc1ccccc1 ZINC000549832725 504910383 /nfs/dbraw/zinc/91/03/83/504910383.db2.gz DLCAKPAKASYEQQ-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC000553440753 504915847 /nfs/dbraw/zinc/91/58/47/504915847.db2.gz OVDJLNZBBNCGDY-UHFFFAOYSA-N 1 2 368.481 3.492 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000553626172 504966845 /nfs/dbraw/zinc/96/68/45/504966845.db2.gz MTLUTMCXWDXQPN-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO N#Cc1ncn(CC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)n1 ZINC000556923676 505018234 /nfs/dbraw/zinc/01/82/34/505018234.db2.gz MBKRYSLKAYNQMZ-GOSISDBHSA-N 1 2 373.794 3.461 20 30 FGEDLO C[C@H](Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000563220005 505079123 /nfs/dbraw/zinc/07/91/23/505079123.db2.gz DEMPTYGEPIHXGC-HRAATJIYSA-N 1 2 351.450 3.400 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)C1CCOCC1 ZINC000566154080 505099407 /nfs/dbraw/zinc/09/94/07/505099407.db2.gz VYPQKZBZGQZASB-SFHVURJKSA-N 1 2 373.501 3.096 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000563367551 505123225 /nfs/dbraw/zinc/12/32/25/505123225.db2.gz PQMTYHQWQIIDFT-NEPJUHHUSA-N 1 2 351.472 3.096 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)ccc2[nH+]1 ZINC000557471005 505144016 /nfs/dbraw/zinc/14/40/16/505144016.db2.gz IIWFXZWXVDPURA-OAHLLOKOSA-N 1 2 363.396 3.119 20 30 FGEDLO N#Cc1ccc(C(=O)CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000560747278 505175568 /nfs/dbraw/zinc/17/55/68/505175568.db2.gz XYNOMRUILFBORC-UHFFFAOYSA-N 1 2 357.369 3.358 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000563684093 505210063 /nfs/dbraw/zinc/21/00/63/505210063.db2.gz CRXUJASMXHOGKU-MOPGFXCFSA-N 1 2 372.513 3.063 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000563829148 505250477 /nfs/dbraw/zinc/25/04/77/505250477.db2.gz XPQMZAWZWJPQKK-UHFFFAOYSA-N 1 2 367.334 3.477 20 30 FGEDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000564560985 505453946 /nfs/dbraw/zinc/45/39/46/505453946.db2.gz HZGRMPKFFWPCFD-UHFFFAOYSA-N 1 2 370.478 3.443 20 30 FGEDLO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000552316896 505459004 /nfs/dbraw/zinc/45/90/04/505459004.db2.gz RGKJTNCDUXPZAZ-UHFFFAOYSA-N 1 2 373.194 3.181 20 30 FGEDLO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000552316896 505459002 /nfs/dbraw/zinc/45/90/02/505459002.db2.gz RGKJTNCDUXPZAZ-UHFFFAOYSA-N 1 2 373.194 3.181 20 30 FGEDLO N#Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1Cl ZINC000561938814 505472867 /nfs/dbraw/zinc/47/28/67/505472867.db2.gz YAOHPRTYTDYOBB-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000562078821 505512013 /nfs/dbraw/zinc/51/20/13/505512013.db2.gz ZIHFYHYRSLOTGK-LBPRGKRZSA-N 1 2 367.261 3.217 20 30 FGEDLO COc1ccccc1Oc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000564864442 505542793 /nfs/dbraw/zinc/54/27/93/505542793.db2.gz UAFCVZLNUCZYAZ-MRXNPFEDSA-N 1 2 373.428 3.245 20 30 FGEDLO COc1ccccc1Oc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000564864442 505542803 /nfs/dbraw/zinc/54/28/03/505542803.db2.gz UAFCVZLNUCZYAZ-MRXNPFEDSA-N 1 2 373.428 3.245 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@@H+]2Cc3cccc(C#N)c3C2)sc2c1CCC2 ZINC000593119997 506404662 /nfs/dbraw/zinc/40/46/62/506404662.db2.gz MDKWZLZYOSHYOG-UHFFFAOYSA-N 1 2 362.458 3.325 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@H+]2Cc3cccc(C#N)c3C2)sc2c1CCC2 ZINC000593119997 506404670 /nfs/dbraw/zinc/40/46/70/506404670.db2.gz MDKWZLZYOSHYOG-UHFFFAOYSA-N 1 2 362.458 3.325 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603079487 506411599 /nfs/dbraw/zinc/41/15/99/506411599.db2.gz UUBNESFXBFUDLR-AWEZNQCLSA-N 1 2 353.401 3.003 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ccnc(C#N)c1 ZINC000603134212 506432917 /nfs/dbraw/zinc/43/29/17/506432917.db2.gz LQDFDVMENGGUCD-KRWDZBQOSA-N 1 2 360.421 3.308 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000596504674 506436782 /nfs/dbraw/zinc/43/67/82/506436782.db2.gz JYFDDVOCNBCUQM-ICSRJNTNSA-N 1 2 351.454 3.186 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612149605 506462123 /nfs/dbraw/zinc/46/21/23/506462123.db2.gz WOENPXCNMFEAPM-SCTDSRPQSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612149605 506462125 /nfs/dbraw/zinc/46/21/25/506462125.db2.gz WOENPXCNMFEAPM-SCTDSRPQSA-N 1 2 362.424 3.045 20 30 FGEDLO COCc1cc(C#N)ccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000603283670 506476859 /nfs/dbraw/zinc/47/68/59/506476859.db2.gz LVSNKRXSQFCWEO-HOTGVXAUSA-N 1 2 366.465 3.325 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195021 506477155 /nfs/dbraw/zinc/47/71/55/506477155.db2.gz BRFCOKWQCHRDQM-ROUUACIJSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195021 506477161 /nfs/dbraw/zinc/47/71/61/506477161.db2.gz BRFCOKWQCHRDQM-ROUUACIJSA-N 1 2 373.815 3.232 20 30 FGEDLO COC(=O)[C@@]1([NH2+]CCC(=O)Nc2sccc2C#N)CCCC(C)(C)C1 ZINC000599561194 506503214 /nfs/dbraw/zinc/50/32/14/506503214.db2.gz NIEQWYIZOXAGIF-GOSISDBHSA-N 1 2 363.483 3.050 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000603405881 506504712 /nfs/dbraw/zinc/50/47/12/506504712.db2.gz QKCNEACITWTUBQ-UHFFFAOYSA-N 1 2 366.465 3.329 20 30 FGEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2C1 ZINC000593275668 506506596 /nfs/dbraw/zinc/50/65/96/506506596.db2.gz JCJZUTQPEUWIGF-UHFFFAOYSA-N 1 2 369.490 3.128 20 30 FGEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c2ccccc2C1 ZINC000593275668 506506601 /nfs/dbraw/zinc/50/66/01/506506601.db2.gz JCJZUTQPEUWIGF-UHFFFAOYSA-N 1 2 369.490 3.128 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000582958788 506510919 /nfs/dbraw/zinc/51/09/19/506510919.db2.gz IIOCCXQNKCYSJU-CVEARBPZSA-N 1 2 373.522 3.399 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000582958788 506510925 /nfs/dbraw/zinc/51/09/25/506510925.db2.gz IIOCCXQNKCYSJU-CVEARBPZSA-N 1 2 373.522 3.399 20 30 FGEDLO CSc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000596657784 506514318 /nfs/dbraw/zinc/51/43/18/506514318.db2.gz BPCXRQSDPWEMCO-UHFFFAOYSA-N 1 2 355.463 3.140 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3(C#N)CCCCC3)CC2)cc1 ZINC000596657794 506515022 /nfs/dbraw/zinc/51/50/22/506515022.db2.gz UMYVOTJYPGQLIC-UHFFFAOYSA-N 1 2 350.466 3.067 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cn2)c1 ZINC000589320625 506516024 /nfs/dbraw/zinc/51/60/24/506516024.db2.gz BIPUNELWSSFFNF-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cn2)c1 ZINC000589320625 506516035 /nfs/dbraw/zinc/51/60/35/506516035.db2.gz BIPUNELWSSFFNF-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c([N+](=O)[O-])c1 ZINC000599621768 506533082 /nfs/dbraw/zinc/53/30/82/506533082.db2.gz DWFIZGFOMMDXQZ-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO N#Cc1csc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)n1 ZINC000589498482 506569635 /nfs/dbraw/zinc/56/96/35/506569635.db2.gz RKXPGUWWSFKKDA-UHFFFAOYSA-N 1 2 351.435 3.444 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599678543 506574096 /nfs/dbraw/zinc/57/40/96/506574096.db2.gz VFJOULBVDHAQMQ-CYBMUJFWSA-N 1 2 354.479 3.211 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599678543 506574101 /nfs/dbraw/zinc/57/41/01/506574101.db2.gz VFJOULBVDHAQMQ-CYBMUJFWSA-N 1 2 354.479 3.211 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678018 506574910 /nfs/dbraw/zinc/57/49/10/506574910.db2.gz HMMDMTMUVGXABD-PXNSSMCTSA-N 1 2 368.408 3.410 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678018 506574915 /nfs/dbraw/zinc/57/49/15/506574915.db2.gz HMMDMTMUVGXABD-PXNSSMCTSA-N 1 2 368.408 3.410 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000593401483 506600975 /nfs/dbraw/zinc/60/09/75/506600975.db2.gz BRVOSIMSYIBUHZ-ACBHZAAOSA-N 1 2 365.481 3.333 20 30 FGEDLO COc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1C#N ZINC000599817554 506653911 /nfs/dbraw/zinc/65/39/11/506653911.db2.gz WMCNBJDTLKLZDP-BLLLJJGKSA-N 1 2 357.389 3.017 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903271 506654095 /nfs/dbraw/zinc/65/40/95/506654095.db2.gz XQMIJCZENULFPP-CJNGLKHVSA-N 1 2 367.453 3.073 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903271 506654099 /nfs/dbraw/zinc/65/40/99/506654099.db2.gz XQMIJCZENULFPP-CJNGLKHVSA-N 1 2 367.453 3.073 20 30 FGEDLO Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000596994996 506720293 /nfs/dbraw/zinc/72/02/93/506720293.db2.gz HCBVDJBEWVLOPA-UHFFFAOYSA-N 1 2 364.371 3.354 20 30 FGEDLO Cc1cccn2c(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c[nH+]c12 ZINC000597085827 506764118 /nfs/dbraw/zinc/76/41/18/506764118.db2.gz XWZDGODMUHHLLZ-UHFFFAOYSA-N 1 2 360.421 3.127 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276974 506771563 /nfs/dbraw/zinc/77/15/63/506771563.db2.gz ZRTLUFGREAMOQX-WZRBSPASSA-N 1 2 373.341 3.104 20 30 FGEDLO C[C@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000597150236 506800839 /nfs/dbraw/zinc/80/08/39/506800839.db2.gz XSGGXQKHRCGSAD-RHSMWYFYSA-N 1 2 363.889 3.158 20 30 FGEDLO C[C@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000597150236 506800846 /nfs/dbraw/zinc/80/08/46/506800846.db2.gz XSGGXQKHRCGSAD-RHSMWYFYSA-N 1 2 363.889 3.158 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1OC ZINC000597181523 506817940 /nfs/dbraw/zinc/81/79/40/506817940.db2.gz IUWBBZVPRBFHSN-UHFFFAOYSA-N 1 2 357.479 3.349 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OC1CC1 ZINC000600175513 506820779 /nfs/dbraw/zinc/82/07/79/506820779.db2.gz CARFRWWDQABCDR-UHFFFAOYSA-N 1 2 369.490 3.492 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600759 506876037 /nfs/dbraw/zinc/87/60/37/506876037.db2.gz MIESFTMMMHABDV-OAHLLOKOSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600759 506876042 /nfs/dbraw/zinc/87/60/42/506876042.db2.gz MIESFTMMMHABDV-OAHLLOKOSA-N 1 2 354.841 3.425 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000609486371 506896424 /nfs/dbraw/zinc/89/64/24/506896424.db2.gz JBYVAVQJBWQCBS-UWJYYQICSA-N 1 2 364.493 3.333 20 30 FGEDLO Cc1c2cccc(Br)c2oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583755722 506954811 /nfs/dbraw/zinc/95/48/11/506954811.db2.gz BUEZMGCPSQJLIX-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000609671501 506969251 /nfs/dbraw/zinc/96/92/51/506969251.db2.gz DDZLCZRKPGZINE-UHFFFAOYSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000609671501 506969259 /nfs/dbraw/zinc/96/92/59/506969259.db2.gz DDZLCZRKPGZINE-UHFFFAOYSA-N 1 2 373.497 3.221 20 30 FGEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000609841326 507020296 /nfs/dbraw/zinc/02/02/96/507020296.db2.gz PIAQBULBGDBACH-CQSZACIVSA-N 1 2 357.454 3.358 20 30 FGEDLO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951787 507056311 /nfs/dbraw/zinc/05/63/11/507056311.db2.gz VIBCOSWKJNKRHX-UHFFFAOYSA-N 1 2 353.378 3.032 20 30 FGEDLO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951787 507056317 /nfs/dbraw/zinc/05/63/17/507056317.db2.gz VIBCOSWKJNKRHX-UHFFFAOYSA-N 1 2 353.378 3.032 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000591080522 507104361 /nfs/dbraw/zinc/10/43/61/507104361.db2.gz MTKPARVZVRVJJS-UHFFFAOYSA-N 1 2 373.460 3.318 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000594536688 507176251 /nfs/dbraw/zinc/17/62/51/507176251.db2.gz GOVLPCULERMKKS-FHLIZLRMSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000594536688 507176257 /nfs/dbraw/zinc/17/62/57/507176257.db2.gz GOVLPCULERMKKS-FHLIZLRMSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610347252 507204606 /nfs/dbraw/zinc/20/46/06/507204606.db2.gz FURFHDRKYXHJKL-INIZCTEOSA-N 1 2 359.433 3.363 20 30 FGEDLO COC(=O)COc1c(C)cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594610311 507212058 /nfs/dbraw/zinc/21/20/58/507212058.db2.gz BCEZJIBGCLIBOS-UHFFFAOYSA-N 1 2 350.418 3.243 20 30 FGEDLO COC(=O)COc1c(C)cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594610311 507212066 /nfs/dbraw/zinc/21/20/66/507212066.db2.gz BCEZJIBGCLIBOS-UHFFFAOYSA-N 1 2 350.418 3.243 20 30 FGEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000610367875 507214303 /nfs/dbraw/zinc/21/43/03/507214303.db2.gz DKCRSDNVPOBPHQ-UHFFFAOYSA-N 1 2 373.416 3.125 20 30 FGEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000610367875 507214308 /nfs/dbraw/zinc/21/43/08/507214308.db2.gz DKCRSDNVPOBPHQ-UHFFFAOYSA-N 1 2 373.416 3.125 20 30 FGEDLO N#CC1(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)CCCCC1 ZINC000594658182 507223833 /nfs/dbraw/zinc/22/38/33/507223833.db2.gz NGDHSXBIKULULV-UHFFFAOYSA-N 1 2 364.497 3.074 20 30 FGEDLO N#Cc1ccc(F)cc1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610728709 507368778 /nfs/dbraw/zinc/36/87/78/507368778.db2.gz JCYLXWBWPTYNAR-HXUWFJFHSA-N 1 2 373.859 3.202 20 30 FGEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1 ZINC000610844319 507410051 /nfs/dbraw/zinc/41/00/51/507410051.db2.gz HXCRTSFTEQVSKO-UHFFFAOYSA-N 1 2 361.405 3.115 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000614300265 507446395 /nfs/dbraw/zinc/44/63/95/507446395.db2.gz BYOYGDGHKZPBGL-UHFFFAOYSA-N 1 2 360.417 3.023 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000606583143 507451146 /nfs/dbraw/zinc/45/11/46/507451146.db2.gz QGTRNFYYIXCSDY-UHFFFAOYSA-N 1 2 350.382 3.286 20 30 FGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2n1CCCCC2 ZINC000595433229 507494227 /nfs/dbraw/zinc/49/42/27/507494227.db2.gz JYXRTTCRQSUHQE-GFCCVEGCSA-N 1 2 374.286 3.489 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000595454320 507505896 /nfs/dbraw/zinc/50/58/96/507505896.db2.gz HRMDEWRHERGRCY-QGZVFWFLSA-N 1 2 355.486 3.297 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000598590508 507508976 /nfs/dbraw/zinc/50/89/76/507508976.db2.gz NFTLRCMHRHHPOU-CVEARBPZSA-N 1 2 367.287 3.123 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000598590508 507508980 /nfs/dbraw/zinc/50/89/80/507508980.db2.gz NFTLRCMHRHHPOU-CVEARBPZSA-N 1 2 367.287 3.123 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c(C(F)(F)F)c1 ZINC000584812660 507518350 /nfs/dbraw/zinc/51/83/50/507518350.db2.gz TWKWMXJRJZTLCV-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000611119662 507522764 /nfs/dbraw/zinc/52/27/64/507522764.db2.gz LSJSHLUWPPIWQI-IBGZPJMESA-N 1 2 373.460 3.320 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598650937 507534027 /nfs/dbraw/zinc/53/40/27/507534027.db2.gz TXRUGCNAAFWSLM-MRXNPFEDSA-N 1 2 356.438 3.136 20 30 FGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ncc[nH]1 ZINC000611191174 507555106 /nfs/dbraw/zinc/55/51/06/507555106.db2.gz XFJVWUCMXBEPNR-UHFFFAOYSA-N 1 2 357.483 3.072 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ncc[nH]1 ZINC000611191174 507555112 /nfs/dbraw/zinc/55/51/12/507555112.db2.gz XFJVWUCMXBEPNR-UHFFFAOYSA-N 1 2 357.483 3.072 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000611260229 507587232 /nfs/dbraw/zinc/58/72/32/507587232.db2.gz MFXKCXXFZPAGEU-UHFFFAOYSA-N 1 2 355.467 3.080 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000595609266 507588277 /nfs/dbraw/zinc/58/82/77/507588277.db2.gz HZDIASICPMIIAI-JTQLQIEISA-N 1 2 351.204 3.218 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000595609266 507588285 /nfs/dbraw/zinc/58/82/85/507588285.db2.gz HZDIASICPMIIAI-JTQLQIEISA-N 1 2 351.204 3.218 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000611259811 507588375 /nfs/dbraw/zinc/58/83/75/507588375.db2.gz FEZBKIMJHGATLW-UHFFFAOYSA-N 1 2 359.433 3.294 20 30 FGEDLO Cc1cn2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2[nH+]1 ZINC000602094387 507589849 /nfs/dbraw/zinc/58/98/49/507589849.db2.gz SNBVLOWDVPVKOS-UHFFFAOYSA-N 1 2 360.417 3.198 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612098 507590207 /nfs/dbraw/zinc/59/02/07/507590207.db2.gz SAEGBFYDAXHULM-CVEARBPZSA-N 1 2 357.454 3.204 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612098 507590212 /nfs/dbraw/zinc/59/02/12/507590212.db2.gz SAEGBFYDAXHULM-CVEARBPZSA-N 1 2 357.454 3.204 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595617642 507593909 /nfs/dbraw/zinc/59/39/09/507593909.db2.gz XNBRGNANELCXKT-CQSZACIVSA-N 1 2 370.478 3.383 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595617642 507593917 /nfs/dbraw/zinc/59/39/17/507593917.db2.gz XNBRGNANELCXKT-CQSZACIVSA-N 1 2 370.478 3.383 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000611276627 507601279 /nfs/dbraw/zinc/60/12/79/507601279.db2.gz NNPWXUVSQKXZLS-VQTJNVASSA-N 1 2 369.490 3.330 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000611276627 507601283 /nfs/dbraw/zinc/60/12/83/507601283.db2.gz NNPWXUVSQKXZLS-VQTJNVASSA-N 1 2 369.490 3.330 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000602149760 507608063 /nfs/dbraw/zinc/60/80/63/507608063.db2.gz CBBZCEFMJWNQRB-LJQANCHMSA-N 1 2 369.852 3.111 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000602149760 507608065 /nfs/dbraw/zinc/60/80/65/507608065.db2.gz CBBZCEFMJWNQRB-LJQANCHMSA-N 1 2 369.852 3.111 20 30 FGEDLO CC(C)(NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C#N)c1 ZINC000602177724 507616920 /nfs/dbraw/zinc/61/69/20/507616920.db2.gz IFAOPYYZHNBKFB-CQSZACIVSA-N 1 2 350.344 3.300 20 30 FGEDLO Cc1cc(NC(=O)CC2(C#N)CCCCC2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000598818274 507618968 /nfs/dbraw/zinc/61/89/68/507618968.db2.gz JPSFVYMFEMVTTC-UHFFFAOYSA-N 1 2 352.442 3.390 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1F ZINC000595747463 507662057 /nfs/dbraw/zinc/66/20/57/507662057.db2.gz JSMJNYXOQRTQLI-KRWDZBQOSA-N 1 2 359.445 3.314 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1F ZINC000595747463 507662065 /nfs/dbraw/zinc/66/20/65/507662065.db2.gz JSMJNYXOQRTQLI-KRWDZBQOSA-N 1 2 359.445 3.314 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830370 507705159 /nfs/dbraw/zinc/70/51/59/507705159.db2.gz UHVPWQBJYYMXGW-KHIZAZIESA-N 1 2 372.296 3.059 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000588005852 507731092 /nfs/dbraw/zinc/73/10/92/507731092.db2.gz PWMHBCYYDUDSAP-LBPRGKRZSA-N 1 2 369.350 3.031 20 30 FGEDLO COCCN(CCC#N)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000611559126 507739544 /nfs/dbraw/zinc/73/95/44/507739544.db2.gz NAZOPXZUOCLKBV-MRXNPFEDSA-N 1 2 359.474 3.163 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000595920597 507745621 /nfs/dbraw/zinc/74/56/21/507745621.db2.gz PHFNTGKFOFXVBD-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000595920597 507745628 /nfs/dbraw/zinc/74/56/28/507745628.db2.gz PHFNTGKFOFXVBD-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000113249105 700569874 /nfs/dbraw/zinc/56/98/74/700569874.db2.gz UMDQBSYCNDYQBC-LBPRGKRZSA-N 1 2 361.829 3.321 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@@H]1CCc2ccccc21 ZINC000136584743 704862926 /nfs/dbraw/zinc/86/29/26/704862926.db2.gz VQHRBSKBOMYECL-MRXNPFEDSA-N 1 2 354.479 3.223 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@@H]1CCc2ccccc21 ZINC000136584743 704862931 /nfs/dbraw/zinc/86/29/31/704862931.db2.gz VQHRBSKBOMYECL-MRXNPFEDSA-N 1 2 354.479 3.223 20 30 FGEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177256953 705614850 /nfs/dbraw/zinc/61/48/50/705614850.db2.gz FGCVJQXHCAWTNQ-INIZCTEOSA-N 1 2 354.372 3.267 20 30 FGEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177256953 705614855 /nfs/dbraw/zinc/61/48/55/705614855.db2.gz FGCVJQXHCAWTNQ-INIZCTEOSA-N 1 2 354.372 3.267 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)nc1 ZINC000193853117 713501702 /nfs/dbraw/zinc/50/17/02/713501702.db2.gz RQXVHJVGFIFQKH-UHFFFAOYSA-N 1 2 364.421 3.324 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000328806817 713826020 /nfs/dbraw/zinc/82/60/20/713826020.db2.gz IBUZNXOKQYMMPE-MJBXVCDLSA-N 1 2 358.408 3.492 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000365981720 713860961 /nfs/dbraw/zinc/86/09/61/713860961.db2.gz VKSQHLQVKKOGFN-RHSMWYFYSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000365981720 713860964 /nfs/dbraw/zinc/86/09/64/713860964.db2.gz VKSQHLQVKKOGFN-RHSMWYFYSA-N 1 2 353.388 3.295 20 30 FGEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000522636416 714197394 /nfs/dbraw/zinc/19/73/94/714197394.db2.gz ZYAPWFSYYWKILQ-HNNXBMFYSA-N 1 2 351.878 3.011 20 30 FGEDLO CCc1nn(C)cc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619431974 714835368 /nfs/dbraw/zinc/83/53/68/714835368.db2.gz IKQDFGSVMHWRQZ-LJQANCHMSA-N 1 2 357.889 3.018 20 30 FGEDLO Cc1cscc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000779752790 724425374 /nfs/dbraw/zinc/42/53/74/724425374.db2.gz SHBCZJQWHPKGEX-UHFFFAOYSA-N 1 2 352.463 3.216 20 30 FGEDLO FC(F)Cn1cc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cn1 ZINC000646099191 718263424 /nfs/dbraw/zinc/26/34/24/718263424.db2.gz LRTQXNBOPKMZIB-IUCAKERBSA-N 1 2 351.241 3.321 20 30 FGEDLO C=CCC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOCC1 ZINC000665245601 720746748 /nfs/dbraw/zinc/74/67/48/720746748.db2.gz NKKSJAPBGLBKSC-UHFFFAOYSA-N 1 2 364.515 3.376 20 30 FGEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000782949773 724711658 /nfs/dbraw/zinc/71/16/58/724711658.db2.gz ZPRYPPYNPYORBB-UHFFFAOYSA-N 1 2 350.172 3.194 20 30 FGEDLO C#Cc1cccc(NC(=S)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000734097612 722504095 /nfs/dbraw/zinc/50/40/95/722504095.db2.gz CATDVLZNYYJFRI-INIZCTEOSA-N 1 2 350.491 3.139 20 30 FGEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccncc1 ZINC000734682336 722509175 /nfs/dbraw/zinc/50/91/75/722509175.db2.gz JIWVOIXDVREVFU-SFHVURJKSA-N 1 2 356.495 3.288 20 30 FGEDLO C#C[C@H](CC)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753274601 722892437 /nfs/dbraw/zinc/89/24/37/722892437.db2.gz ZXSQFGLTGCXSLD-CZUORRHYSA-N 1 2 351.853 3.327 20 30 FGEDLO N#Cc1ccc(NC(=S)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000753676346 722909138 /nfs/dbraw/zinc/90/91/38/722909138.db2.gz NMSGGWDZJWUEGL-CQSZACIVSA-N 1 2 357.870 3.172 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1cccnc1 ZINC000762468985 723245681 /nfs/dbraw/zinc/24/56/81/723245681.db2.gz SXDJENJTDRQFBO-UHFFFAOYSA-N 1 2 352.467 3.279 20 30 FGEDLO CC(C)(C)[C@H](NC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1cccs1 ZINC000762666909 723268389 /nfs/dbraw/zinc/26/83/89/723268389.db2.gz YUWPDDDPYDGGCT-MRXNPFEDSA-N 1 2 363.458 3.428 20 30 FGEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792911126 723381023 /nfs/dbraw/zinc/38/10/23/723381023.db2.gz GFGLJMYFULTIBV-LLVKDONJSA-N 1 2 355.232 3.043 20 30 FGEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792911126 723381026 /nfs/dbraw/zinc/38/10/26/723381026.db2.gz GFGLJMYFULTIBV-LLVKDONJSA-N 1 2 355.232 3.043 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000765826546 723543006 /nfs/dbraw/zinc/54/30/06/723543006.db2.gz ZAQMTVUMAODLFL-CABCVRRESA-N 1 2 351.397 3.473 20 30 FGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCC(=O)N2 ZINC000794726243 723543230 /nfs/dbraw/zinc/54/32/30/723543230.db2.gz TUAIVICSYCLANZ-HYXAFXHYSA-N 1 2 353.765 3.215 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000766317161 723568014 /nfs/dbraw/zinc/56/80/14/723568014.db2.gz AFXOQIGDQJZKNM-ROUUACIJSA-N 1 2 365.905 3.318 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000766317161 723568018 /nfs/dbraw/zinc/56/80/18/723568018.db2.gz AFXOQIGDQJZKNM-ROUUACIJSA-N 1 2 365.905 3.318 20 30 FGEDLO CSCCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769842302 723697625 /nfs/dbraw/zinc/69/76/25/723697625.db2.gz MWEAWOJPLVTDTB-UHFFFAOYSA-N 1 2 353.488 3.101 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3ccccc3C)nc2C)CC1 ZINC000772924176 723772007 /nfs/dbraw/zinc/77/20/07/723772007.db2.gz NCQOMYDDWKUOKC-UHFFFAOYSA-N 1 2 353.491 3.208 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000775620718 724011792 /nfs/dbraw/zinc/01/17/92/724011792.db2.gz QQXPNSJRTPENKB-HNNXBMFYSA-N 1 2 354.841 3.457 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000775620718 724011794 /nfs/dbraw/zinc/01/17/94/724011794.db2.gz QQXPNSJRTPENKB-HNNXBMFYSA-N 1 2 354.841 3.457 20 30 FGEDLO O=C(C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1)C(F)(F)F ZINC000787306325 725024421 /nfs/dbraw/zinc/02/44/21/725024421.db2.gz VYGFHOGWHAJWDV-UHFFFAOYSA-N 1 2 357.241 3.044 20 30 FGEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cc(Br)cn23)n(C)n1 ZINC000789158720 725111379 /nfs/dbraw/zinc/11/13/79/725111379.db2.gz GNNULEJEDNGLLY-PLNGDYQASA-N 1 2 359.227 3.343 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)C(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115088 725345733 /nfs/dbraw/zinc/34/57/33/725345733.db2.gz QIFBZNWGUIBLKI-QWRGUYRKSA-N 1 2 360.273 3.325 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)[C@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115088 725345738 /nfs/dbraw/zinc/34/57/38/725345738.db2.gz QIFBZNWGUIBLKI-QWRGUYRKSA-N 1 2 360.273 3.325 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000811466133 725367424 /nfs/dbraw/zinc/36/74/24/725367424.db2.gz NPCXKJSQPCDSPJ-OCCSQVGLSA-N 1 2 350.488 3.140 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000811466133 725367426 /nfs/dbraw/zinc/36/74/26/725367426.db2.gz NPCXKJSQPCDSPJ-OCCSQVGLSA-N 1 2 350.488 3.140 20 30 FGEDLO CN(CCC1CC[NH+](Cc2nc(C#N)cs2)CC1)C(=O)OC(C)(C)C ZINC000811488138 725368977 /nfs/dbraw/zinc/36/89/77/725368977.db2.gz LQYLFFAYSGCLKN-UHFFFAOYSA-N 1 2 364.515 3.484 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000811958477 725385904 /nfs/dbraw/zinc/38/59/04/725385904.db2.gz CBPBWJZGEPQLBY-DOTOQJQBSA-N 1 2 356.857 3.337 20 30 FGEDLO CC(=[NH+]NC(=S)NC1CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000812385514 725395475 /nfs/dbraw/zinc/39/54/75/725395475.db2.gz CGSCIKDNCASWMH-UHFFFAOYSA-N 1 2 360.527 3.044 20 30 FGEDLO COC(=O)c1ccc(N[NH+]=C(C)c2cc([N+](=O)[O-])ccc2N)cc1Cl ZINC000814901636 727009661 /nfs/dbraw/zinc/00/96/61/727009661.db2.gz DWQLIDOWIZMOPP-UHFFFAOYSA-N 1 2 362.773 3.453 20 30 FGEDLO N#C[C@H]1CC[C@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000815010755 727019148 /nfs/dbraw/zinc/01/91/48/727019148.db2.gz YKBLAGFSYXRNCN-HOTGVXAUSA-N 1 2 353.388 3.395 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C#Cc2cccs2)C[C@H](C)O1 ZINC000825290053 729377254 /nfs/dbraw/zinc/37/72/54/729377254.db2.gz MXHNPILRRYOJKQ-HOTGVXAUSA-N 1 2 354.475 3.348 20 30 FGEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000830578753 729573497 /nfs/dbraw/zinc/57/34/97/729573497.db2.gz GXEZJGBKUDCXRC-MRXNPFEDSA-N 1 2 354.372 3.220 20 30 FGEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000830578753 729573500 /nfs/dbraw/zinc/57/35/00/729573500.db2.gz GXEZJGBKUDCXRC-MRXNPFEDSA-N 1 2 354.372 3.220 20 30 FGEDLO C#Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000836656759 729963981 /nfs/dbraw/zinc/96/39/81/729963981.db2.gz QJVIHJOIVWIMCW-MRXNPFEDSA-N 1 2 353.491 3.318 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277587 730826188 /nfs/dbraw/zinc/82/61/88/730826188.db2.gz HZPZRXZMBCVLDW-CQSZACIVSA-N 1 2 359.451 3.294 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000850345395 731344905 /nfs/dbraw/zinc/34/49/05/731344905.db2.gz YJYGNWSUNBDKRQ-UHFFFAOYSA-N 1 2 355.747 3.451 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(=O)(=O)CC)cc1 ZINC000853470115 731708392 /nfs/dbraw/zinc/70/83/92/731708392.db2.gz ZKBDZVBJLMHNAX-UHFFFAOYSA-N 1 2 358.463 3.280 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1=S ZINC000853521067 731717200 /nfs/dbraw/zinc/71/72/00/731717200.db2.gz WIUGTYHVDGVNJI-UHFFFAOYSA-N 1 2 354.479 3.186 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1=S ZINC000853521067 731717201 /nfs/dbraw/zinc/71/72/01/731717201.db2.gz WIUGTYHVDGVNJI-UHFFFAOYSA-N 1 2 354.479 3.186 20 30 FGEDLO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cccc(C#N)c1O ZINC000866216620 733325569 /nfs/dbraw/zinc/32/55/69/733325569.db2.gz IAUDOOYCGZJCJQ-RHSMWYFYSA-N 1 2 357.479 3.049 20 30 FGEDLO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cccc(C#N)c1O ZINC000866474434 733354957 /nfs/dbraw/zinc/35/49/57/733354957.db2.gz OZSVDOQLLPPJBF-AWEZNQCLSA-N 1 2 354.479 3.063 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000867103451 733439773 /nfs/dbraw/zinc/43/97/73/733439773.db2.gz YHTOFKGCGHERGH-HOTGVXAUSA-N 1 2 361.417 3.268 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2sccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000867103451 733439774 /nfs/dbraw/zinc/43/97/74/733439774.db2.gz YHTOFKGCGHERGH-HOTGVXAUSA-N 1 2 361.417 3.268 20 30 FGEDLO N#CCCn1cc(C[NH2+]Cc2ncc(Cl)s2)c(-c2ccncc2)n1 ZINC000873164673 735729277 /nfs/dbraw/zinc/72/92/77/735729277.db2.gz CQPSOWHEJPURNV-UHFFFAOYSA-N 1 2 358.858 3.258 20 30 FGEDLO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000876893076 736159148 /nfs/dbraw/zinc/15/91/48/736159148.db2.gz HWOJIMVSHIACLX-LSDHHAIUSA-N 1 2 365.909 3.028 20 30 FGEDLO CC(C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc2cc(Cl)ccc2o1 ZINC000879157790 736962065 /nfs/dbraw/zinc/96/20/65/736962065.db2.gz QECLMVDXSGYIIY-GOSISDBHSA-N 1 2 360.845 3.114 20 30 FGEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c(Br)c1 ZINC000881786828 737382908 /nfs/dbraw/zinc/38/29/08/737382908.db2.gz NEUZSJANLIKNAG-UHFFFAOYSA-N 1 2 358.243 3.323 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278587 739238087 /nfs/dbraw/zinc/23/80/87/739238087.db2.gz DDWBMSCFROFBMI-OLZOCXBDSA-N 1 2 354.376 3.077 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278587 739238091 /nfs/dbraw/zinc/23/80/91/739238091.db2.gz DDWBMSCFROFBMI-OLZOCXBDSA-N 1 2 354.376 3.077 20 30 FGEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)CSCC2 ZINC000894084794 742236253 /nfs/dbraw/zinc/23/62/53/742236253.db2.gz MELRFQAYDQKDAD-APWZRJJASA-N 1 2 352.507 3.481 20 30 FGEDLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)CSCC2 ZINC000894084794 742236255 /nfs/dbraw/zinc/23/62/55/742236255.db2.gz MELRFQAYDQKDAD-APWZRJJASA-N 1 2 352.507 3.481 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000895669704 742437886 /nfs/dbraw/zinc/43/78/86/742437886.db2.gz FHXQDZZCMRBIHD-UHFFFAOYSA-N 1 2 358.663 3.158 20 30 FGEDLO CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2cccc(C#N)c2O)n1 ZINC000926245902 759686511 /nfs/dbraw/zinc/68/65/11/759686511.db2.gz BTOYSNPPXNJLTQ-CQSZACIVSA-N 1 2 359.451 3.180 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1=O ZINC000932197855 761081592 /nfs/dbraw/zinc/08/15/92/761081592.db2.gz IMNQWBZGZMLURX-DZGCQCFKSA-N 1 2 372.519 3.136 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](Cc3nccs3)C2)C1=O ZINC000932197855 761081612 /nfs/dbraw/zinc/08/16/12/761081612.db2.gz IMNQWBZGZMLURX-DZGCQCFKSA-N 1 2 372.519 3.136 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714287 761462192 /nfs/dbraw/zinc/46/21/92/761462192.db2.gz GRBQNYDFTBMUHG-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714287 761462194 /nfs/dbraw/zinc/46/21/94/761462194.db2.gz GRBQNYDFTBMUHG-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC000970448096 762875877 /nfs/dbraw/zinc/87/58/77/762875877.db2.gz VRWKSDNEZRTXFA-MJEQTWJJSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000970558320 762878743 /nfs/dbraw/zinc/87/87/43/762878743.db2.gz BOUAXCNHAWRXTP-NOLJZWGESA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC000981992732 763544823 /nfs/dbraw/zinc/54/48/23/763544823.db2.gz FFDFDKXAPIJFBI-WBVHZDCISA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC000981992732 763544826 /nfs/dbraw/zinc/54/48/26/763544826.db2.gz FFDFDKXAPIJFBI-WBVHZDCISA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001015726043 765800214 /nfs/dbraw/zinc/80/02/14/765800214.db2.gz IXXGYCWHTVXKMV-UXLLHSPISA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC001015726043 765800222 /nfs/dbraw/zinc/80/02/22/765800222.db2.gz IXXGYCWHTVXKMV-UXLLHSPISA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001015829342 765811913 /nfs/dbraw/zinc/81/19/13/765811913.db2.gz RPSWVVBNZWWJFQ-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001015829342 765811922 /nfs/dbraw/zinc/81/19/22/765811922.db2.gz RPSWVVBNZWWJFQ-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001024701752 766062745 /nfs/dbraw/zinc/06/27/45/766062745.db2.gz JKBZZIDHPGJLCE-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001024701752 766062750 /nfs/dbraw/zinc/06/27/50/766062750.db2.gz JKBZZIDHPGJLCE-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894840 766105923 /nfs/dbraw/zinc/10/59/23/766105923.db2.gz PWBREZJCEKWZOM-QKPAOTATSA-N 1 2 353.304 3.078 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894840 766105926 /nfs/dbraw/zinc/10/59/26/766105926.db2.gz PWBREZJCEKWZOM-QKPAOTATSA-N 1 2 353.304 3.078 20 30 FGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031841840 766186129 /nfs/dbraw/zinc/18/61/29/766186129.db2.gz KPDWDMGLJOTLGL-RTBURBONSA-N 1 2 358.913 3.422 20 30 FGEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400016 766273786 /nfs/dbraw/zinc/27/37/86/766273786.db2.gz GHKORTGGWOREFZ-SLFFLAALSA-N 1 2 350.487 3.094 20 30 FGEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400016 766273789 /nfs/dbraw/zinc/27/37/89/766273789.db2.gz GHKORTGGWOREFZ-SLFFLAALSA-N 1 2 350.487 3.094 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000576959643 505634179 /nfs/dbraw/zinc/63/41/79/505634179.db2.gz VEYXLRCZSPTMBV-UHFFFAOYSA-N 1 2 373.460 3.214 20 30 FGEDLO CCn1c2ccccc2c2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000577171843 505679199 /nfs/dbraw/zinc/67/91/99/505679199.db2.gz DIMFGTZQDHZPNC-KRWDZBQOSA-N 1 2 350.466 3.433 20 30 FGEDLO CCn1c2ccccc2c2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000577171843 505679202 /nfs/dbraw/zinc/67/92/02/505679202.db2.gz DIMFGTZQDHZPNC-KRWDZBQOSA-N 1 2 350.466 3.433 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000080905640 493789348 /nfs/dbraw/zinc/78/93/48/493789348.db2.gz OSOYQQFPDVDHCH-QFIPXVFZSA-N 1 2 357.461 3.255 20 30 FGEDLO C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000048246355 493807282 /nfs/dbraw/zinc/80/72/82/493807282.db2.gz GJTMOJZRVYFFPU-KXBFYZLASA-N 1 2 359.433 3.442 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CCCCC1 ZINC000029699459 493852185 /nfs/dbraw/zinc/85/21/85/493852185.db2.gz GJGXMSYOGMUDPF-INIZCTEOSA-N 1 2 361.511 3.072 20 30 FGEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CCCCC1 ZINC000029699459 493852191 /nfs/dbraw/zinc/85/21/91/493852191.db2.gz GJGXMSYOGMUDPF-INIZCTEOSA-N 1 2 361.511 3.072 20 30 FGEDLO N#Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000058531734 493863913 /nfs/dbraw/zinc/86/39/13/493863913.db2.gz RVHHZWRKGLTNNX-UHFFFAOYSA-N 1 2 355.829 3.397 20 30 FGEDLO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512404 493906354 /nfs/dbraw/zinc/90/63/54/493906354.db2.gz VUWDGXJFSYVAFW-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512404 493906359 /nfs/dbraw/zinc/90/63/59/493906359.db2.gz VUWDGXJFSYVAFW-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)nc1 ZINC000060481636 493938389 /nfs/dbraw/zinc/93/83/89/493938389.db2.gz POPMKLAUTLDGQK-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000076663053 493946326 /nfs/dbraw/zinc/94/63/26/493946326.db2.gz UECBKRAACDMVFE-UHFFFAOYSA-N 1 2 364.489 3.390 20 30 FGEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000032244179 493978363 /nfs/dbraw/zinc/97/83/63/493978363.db2.gz OFQPUFPGFIHCRV-ZDUSSCGKSA-N 1 2 361.361 3.143 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799755 494062200 /nfs/dbraw/zinc/06/22/00/494062200.db2.gz QKWIDIIPMMVLOI-MRXNPFEDSA-N 1 2 373.460 3.068 20 30 FGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799755 494062202 /nfs/dbraw/zinc/06/22/02/494062202.db2.gz QKWIDIIPMMVLOI-MRXNPFEDSA-N 1 2 373.460 3.068 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000071115435 494088963 /nfs/dbraw/zinc/08/89/63/494088963.db2.gz YVXSNRNJSHNJJI-UHFFFAOYSA-N 1 2 372.519 3.468 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000063962468 494100551 /nfs/dbraw/zinc/10/05/51/494100551.db2.gz PGDMMEIRABHLNJ-UHFFFAOYSA-N 1 2 373.416 3.344 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)c1cccc(F)c1 ZINC000041788081 494177671 /nfs/dbraw/zinc/17/76/71/494177671.db2.gz YSQRJICZNLWHAV-IBDYFIJFSA-N 1 2 360.392 3.350 20 30 FGEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000041886144 494185703 /nfs/dbraw/zinc/18/57/03/494185703.db2.gz XWADSPHUXOSQPU-QPJJXVBHSA-N 1 2 374.488 3.218 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000078616047 494330849 /nfs/dbraw/zinc/33/08/49/494330849.db2.gz JTAXPTAYSNCTAU-WIYYLYMNSA-N 1 2 362.477 3.205 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023375644 494563699 /nfs/dbraw/zinc/56/36/99/494563699.db2.gz STEMGUORCNKNSQ-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000056829154 494571345 /nfs/dbraw/zinc/57/13/45/494571345.db2.gz WAIDEMQGVUDFBW-UHFFFAOYSA-N 1 2 352.413 3.414 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000126040116 494614985 /nfs/dbraw/zinc/61/49/85/494614985.db2.gz VIBISWBHRWKCHD-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000126040116 494614998 /nfs/dbraw/zinc/61/49/98/494614998.db2.gz VIBISWBHRWKCHD-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000080202273 494637458 /nfs/dbraw/zinc/63/74/58/494637458.db2.gz BXYNVJHSWXXUMJ-OAHLLOKOSA-N 1 2 352.425 3.028 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000080202273 494637460 /nfs/dbraw/zinc/63/74/60/494637460.db2.gz BXYNVJHSWXXUMJ-OAHLLOKOSA-N 1 2 352.425 3.028 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091868553 494709756 /nfs/dbraw/zinc/70/97/56/494709756.db2.gz RXOKYWVXGXVOHU-UHFFFAOYSA-N 1 2 373.453 3.379 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246446 494714909 /nfs/dbraw/zinc/71/49/09/494714909.db2.gz OCAVGCXAKOWHSQ-INIZCTEOSA-N 1 2 357.376 3.071 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246446 494714916 /nfs/dbraw/zinc/71/49/16/494714916.db2.gz OCAVGCXAKOWHSQ-INIZCTEOSA-N 1 2 357.376 3.071 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000047461873 494716153 /nfs/dbraw/zinc/71/61/53/494716153.db2.gz RKMZIOAGZSCITR-UHFFFAOYSA-N 1 2 352.438 3.063 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1O ZINC000092040240 494765775 /nfs/dbraw/zinc/76/57/75/494765775.db2.gz JSHTZACNFOKLPH-ROUUACIJSA-N 1 2 373.449 3.047 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1O ZINC000092040240 494765780 /nfs/dbraw/zinc/76/57/80/494765780.db2.gz JSHTZACNFOKLPH-ROUUACIJSA-N 1 2 373.449 3.047 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000571469392 505740435 /nfs/dbraw/zinc/74/04/35/505740435.db2.gz RUFPLYXFGINPMQ-SFHVURJKSA-N 1 2 352.413 3.205 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c(C)c1C ZINC000075552995 494792327 /nfs/dbraw/zinc/79/23/27/494792327.db2.gz JCGUTQMCYDLVFJ-OAHLLOKOSA-N 1 2 369.494 3.100 20 30 FGEDLO COc1ccc(-c2noc([C@H](C)O[NH+]=C(N)Cc3csc(C)n3)n2)cc1 ZINC000132056095 494809475 /nfs/dbraw/zinc/80/94/75/494809475.db2.gz RPYXYOBBGNTCMC-JTQLQIEISA-N 1 2 373.438 3.103 20 30 FGEDLO Cc1nc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)oc1C ZINC000093055974 494818364 /nfs/dbraw/zinc/81/83/64/494818364.db2.gz QBYFLMZRRHOHPM-UHFFFAOYSA-N 1 2 368.481 3.292 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000026347319 494820724 /nfs/dbraw/zinc/82/07/24/494820724.db2.gz MEBYCKGSTSVQBY-UHFFFAOYSA-N 1 2 370.434 3.281 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000026347319 494820728 /nfs/dbraw/zinc/82/07/28/494820728.db2.gz MEBYCKGSTSVQBY-UHFFFAOYSA-N 1 2 370.434 3.281 20 30 FGEDLO Cc1noc([C@H](C)[NH+]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 ZINC000109129555 494836420 /nfs/dbraw/zinc/83/64/20/494836420.db2.gz SIACCMMGKBOVTE-NSHDSACASA-N 1 2 365.359 3.152 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093385012 494883112 /nfs/dbraw/zinc/88/31/12/494883112.db2.gz IPKSMTXJZLKIRX-INIZCTEOSA-N 1 2 372.490 3.002 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093385012 494883115 /nfs/dbraw/zinc/88/31/15/494883115.db2.gz IPKSMTXJZLKIRX-INIZCTEOSA-N 1 2 372.490 3.002 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127128816 494897661 /nfs/dbraw/zinc/89/76/61/494897661.db2.gz UGYJJYXZVAHKHF-ROUUACIJSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127128816 494897663 /nfs/dbraw/zinc/89/76/63/494897663.db2.gz UGYJJYXZVAHKHF-ROUUACIJSA-N 1 2 356.376 3.403 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccc(C#N)cn12 ZINC000093660415 494908014 /nfs/dbraw/zinc/90/80/14/494908014.db2.gz MZRWQXSXQSPKRD-UHFFFAOYSA-N 1 2 361.449 3.283 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnc2ccc(C#N)cn12 ZINC000093660415 494908019 /nfs/dbraw/zinc/90/80/19/494908019.db2.gz MZRWQXSXQSPKRD-UHFFFAOYSA-N 1 2 361.449 3.283 20 30 FGEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)cs1 ZINC000093737006 494916398 /nfs/dbraw/zinc/91/63/98/494916398.db2.gz KOQSCHMOCWBDMJ-CQSZACIVSA-N 1 2 360.483 3.023 20 30 FGEDLO CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093844780 494927215 /nfs/dbraw/zinc/92/72/15/494927215.db2.gz AIACMSHUDCYHDY-LJQANCHMSA-N 1 2 362.433 3.332 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000122180072 494936251 /nfs/dbraw/zinc/93/62/51/494936251.db2.gz GDFHQEAJJDAXAO-UHFFFAOYSA-N 1 2 356.376 3.152 20 30 FGEDLO C=CCSc1ccccc1NC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000577576043 505755911 /nfs/dbraw/zinc/75/59/11/505755911.db2.gz DVVWHJNGQUGYNV-UHFFFAOYSA-N 1 2 360.508 3.460 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574368176 505756788 /nfs/dbraw/zinc/75/67/88/505756788.db2.gz DGLQZUPOIYTVNM-RBBKRZOGSA-N 1 2 362.429 3.242 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574368176 505756791 /nfs/dbraw/zinc/75/67/91/505756791.db2.gz DGLQZUPOIYTVNM-RBBKRZOGSA-N 1 2 362.429 3.242 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OC(C)C ZINC000122911134 495051588 /nfs/dbraw/zinc/05/15/88/495051588.db2.gz NFQOOSAIFPYVFN-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000133827946 495066850 /nfs/dbraw/zinc/06/68/50/495066850.db2.gz QIUJBZUFZNFJIK-LJQANCHMSA-N 1 2 368.502 3.495 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000133827946 495066854 /nfs/dbraw/zinc/06/68/54/495066854.db2.gz QIUJBZUFZNFJIK-LJQANCHMSA-N 1 2 368.502 3.495 20 30 FGEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)c1 ZINC000119275580 495132456 /nfs/dbraw/zinc/13/24/56/495132456.db2.gz SYZNBKMZBGQFFD-KRWDZBQOSA-N 1 2 371.462 3.030 20 30 FGEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)c1 ZINC000119275580 495132458 /nfs/dbraw/zinc/13/24/58/495132458.db2.gz SYZNBKMZBGQFFD-KRWDZBQOSA-N 1 2 371.462 3.030 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000128689626 495135538 /nfs/dbraw/zinc/13/55/38/495135538.db2.gz LVDJHGIVMCJSRA-UHFFFAOYSA-N 1 2 364.536 3.084 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000128689626 495135541 /nfs/dbraw/zinc/13/55/41/495135541.db2.gz LVDJHGIVMCJSRA-UHFFFAOYSA-N 1 2 364.536 3.084 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000574405133 505765785 /nfs/dbraw/zinc/76/57/85/505765785.db2.gz YSTWLXPBJREVAV-SFHVURJKSA-N 1 2 364.493 3.400 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000574405133 505765790 /nfs/dbraw/zinc/76/57/90/505765790.db2.gz YSTWLXPBJREVAV-SFHVURJKSA-N 1 2 364.493 3.400 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000574405097 505765874 /nfs/dbraw/zinc/76/58/74/505765874.db2.gz YSTWLXPBJREVAV-GOSISDBHSA-N 1 2 364.493 3.400 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000574405097 505765878 /nfs/dbraw/zinc/76/58/78/505765878.db2.gz YSTWLXPBJREVAV-GOSISDBHSA-N 1 2 364.493 3.400 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135230088 495265331 /nfs/dbraw/zinc/26/53/31/495265331.db2.gz HUMUYXUJLILUCQ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135230088 495265334 /nfs/dbraw/zinc/26/53/34/495265334.db2.gz HUMUYXUJLILUCQ-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO Cc1cc(N2CCC(N(C)C(=O)C3(C#N)CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000120277917 495341813 /nfs/dbraw/zinc/34/18/13/495341813.db2.gz PBMOTCNYFCKFAS-UHFFFAOYSA-N 1 2 355.486 3.030 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(OC)cc1 ZINC000136644143 495391953 /nfs/dbraw/zinc/39/19/53/495391953.db2.gz ROFSGNBDGCTHQX-UHFFFAOYSA-N 1 2 360.483 3.297 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(OC)cc1 ZINC000136644143 495391955 /nfs/dbraw/zinc/39/19/55/495391955.db2.gz ROFSGNBDGCTHQX-UHFFFAOYSA-N 1 2 360.483 3.297 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC ZINC000120512447 495395457 /nfs/dbraw/zinc/39/54/57/495395457.db2.gz PLYASXKXAOFYFR-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC ZINC000120512447 495395459 /nfs/dbraw/zinc/39/54/59/495395459.db2.gz PLYASXKXAOFYFR-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000114674463 495407313 /nfs/dbraw/zinc/40/73/13/495407313.db2.gz UNIPQFWDERQWDZ-UHFFFAOYSA-N 1 2 360.417 3.154 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114724527 495416150 /nfs/dbraw/zinc/41/61/50/495416150.db2.gz DVHDAFBTHSZALL-GOSISDBHSA-N 1 2 365.433 3.351 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114724527 495416152 /nfs/dbraw/zinc/41/61/52/495416152.db2.gz DVHDAFBTHSZALL-GOSISDBHSA-N 1 2 365.433 3.351 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000137116493 495424371 /nfs/dbraw/zinc/42/43/71/495424371.db2.gz ORXRLKJJOZLGNM-IAGOWNOFSA-N 1 2 361.486 3.010 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000106207708 495429854 /nfs/dbraw/zinc/42/98/54/495429854.db2.gz QAHNYPCZBSVSEP-WMLDXEAASA-N 1 2 369.469 3.283 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000106207708 495429856 /nfs/dbraw/zinc/42/98/56/495429856.db2.gz QAHNYPCZBSVSEP-WMLDXEAASA-N 1 2 369.469 3.283 20 30 FGEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000106884961 495506645 /nfs/dbraw/zinc/50/66/45/495506645.db2.gz JONJDNBRUFGWIR-INIZCTEOSA-N 1 2 358.423 3.013 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557324 495516928 /nfs/dbraw/zinc/51/69/28/495516928.db2.gz JVQBNXACNTWLHH-UHFFFAOYSA-N 1 2 359.426 3.241 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000158535226 495531974 /nfs/dbraw/zinc/53/19/74/495531974.db2.gz OWEYTYGPJSLQGD-OAHLLOKOSA-N 1 2 363.446 3.003 20 30 FGEDLO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000158532754 495532187 /nfs/dbraw/zinc/53/21/87/495532187.db2.gz RZPAGTWNGCBBPO-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000170640320 495541679 /nfs/dbraw/zinc/54/16/79/495541679.db2.gz DENUULDFYXDUTK-UHFFFAOYSA-N 1 2 356.433 3.045 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1SC ZINC000170644073 495543361 /nfs/dbraw/zinc/54/33/61/495543361.db2.gz BHBOZKQFRCOVCA-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1SC ZINC000170644073 495543364 /nfs/dbraw/zinc/54/33/64/495543364.db2.gz BHBOZKQFRCOVCA-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000179630204 495668102 /nfs/dbraw/zinc/66/81/02/495668102.db2.gz QHTQTCLMTSVYPB-INIZCTEOSA-N 1 2 366.440 3.015 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000179697457 495694700 /nfs/dbraw/zinc/69/47/00/495694700.db2.gz HCUOTMLKIKBYLE-UHFFFAOYSA-N 1 2 369.490 3.389 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC4(CCCCC4)C3)C2=O)cc1 ZINC000182810806 495712272 /nfs/dbraw/zinc/71/22/72/495712272.db2.gz ZADBXNKGYVGVOC-IBGZPJMESA-N 1 2 353.466 3.089 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC4(CCCCC4)C3)C2=O)cc1 ZINC000182810806 495712276 /nfs/dbraw/zinc/71/22/76/495712276.db2.gz ZADBXNKGYVGVOC-IBGZPJMESA-N 1 2 353.466 3.089 20 30 FGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155071176 495825375 /nfs/dbraw/zinc/82/53/75/495825375.db2.gz LCEMHXFZUCFMSQ-QGZVFWFLSA-N 1 2 363.383 3.420 20 30 FGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155071176 495825381 /nfs/dbraw/zinc/82/53/81/495825381.db2.gz LCEMHXFZUCFMSQ-QGZVFWFLSA-N 1 2 363.383 3.420 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000176959839 495857874 /nfs/dbraw/zinc/85/78/74/495857874.db2.gz YBGGPCGYZLGWPQ-KBPBESRZSA-N 1 2 355.463 3.481 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000171434798 495872160 /nfs/dbraw/zinc/87/21/60/495872160.db2.gz PBGHAGSCBDGHCF-MRXNPFEDSA-N 1 2 363.527 3.003 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177044632 495899000 /nfs/dbraw/zinc/89/90/00/495899000.db2.gz QTCKJFOQUSZUNC-RXVVDRJESA-N 1 2 367.497 3.248 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177044632 495899006 /nfs/dbraw/zinc/89/90/06/495899006.db2.gz QTCKJFOQUSZUNC-RXVVDRJESA-N 1 2 367.497 3.248 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCc2ccccc2C1 ZINC000171593222 495941266 /nfs/dbraw/zinc/94/12/66/495941266.db2.gz UQCFOARCJXRJFJ-UHFFFAOYSA-N 1 2 371.444 3.131 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCc2ccccc2C1 ZINC000171593222 495941271 /nfs/dbraw/zinc/94/12/71/495941271.db2.gz UQCFOARCJXRJFJ-UHFFFAOYSA-N 1 2 371.444 3.131 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151932881 495996604 /nfs/dbraw/zinc/99/66/04/495996604.db2.gz WFBNZHXCUPTUJF-RDJZCZTQSA-N 1 2 373.840 3.331 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151932881 495996610 /nfs/dbraw/zinc/99/66/10/495996610.db2.gz WFBNZHXCUPTUJF-RDJZCZTQSA-N 1 2 373.840 3.331 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492099 496019563 /nfs/dbraw/zinc/01/95/63/496019563.db2.gz VTSGIJFHEZRDIL-GFCCVEGCSA-N 1 2 353.388 3.267 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492099 496019567 /nfs/dbraw/zinc/01/95/67/496019567.db2.gz VTSGIJFHEZRDIL-GFCCVEGCSA-N 1 2 353.388 3.267 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000180502516 496023624 /nfs/dbraw/zinc/02/36/24/496023624.db2.gz POOOXQYVFCKPQJ-UHFFFAOYSA-N 1 2 361.367 3.483 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000180502516 496023628 /nfs/dbraw/zinc/02/36/28/496023628.db2.gz POOOXQYVFCKPQJ-UHFFFAOYSA-N 1 2 361.367 3.483 20 30 FGEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000180517379 496028312 /nfs/dbraw/zinc/02/83/12/496028312.db2.gz YGYCPWLPURZDJZ-AWEZNQCLSA-N 1 2 365.380 3.274 20 30 FGEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000180517379 496028316 /nfs/dbraw/zinc/02/83/16/496028316.db2.gz YGYCPWLPURZDJZ-AWEZNQCLSA-N 1 2 365.380 3.274 20 30 FGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000160769718 496038973 /nfs/dbraw/zinc/03/89/73/496038973.db2.gz DDRXRCLCFAFHKQ-UHFFFAOYSA-N 1 2 359.426 3.222 20 30 FGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000160769718 496038977 /nfs/dbraw/zinc/03/89/77/496038977.db2.gz DDRXRCLCFAFHKQ-UHFFFAOYSA-N 1 2 359.426 3.222 20 30 FGEDLO C=CCC[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000186581149 496055798 /nfs/dbraw/zinc/05/57/98/496055798.db2.gz AIAMZIHVAOUSBX-FQEVSTJZSA-N 1 2 365.477 3.284 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OCC3CCCC3)CC2)C1=O ZINC000177491258 496084431 /nfs/dbraw/zinc/08/44/31/496084431.db2.gz WECHHEIKWKCNFR-GOSISDBHSA-N 1 2 373.522 3.396 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000186736706 496128673 /nfs/dbraw/zinc/12/86/73/496128673.db2.gz FGVYYOMKDMQQKW-UHFFFAOYSA-N 1 2 354.475 3.007 20 30 FGEDLO Cc1cc(C)c2c(c1)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000186736706 496128675 /nfs/dbraw/zinc/12/86/75/496128675.db2.gz FGVYYOMKDMQQKW-UHFFFAOYSA-N 1 2 354.475 3.007 20 30 FGEDLO Cc1cc(-c2nnc(C[NH+]3CCN(c4ccccc4C#N)CC3)o2)c(C)o1 ZINC000161528805 496192694 /nfs/dbraw/zinc/19/26/94/496192694.db2.gz AARXUBPCXBWBQX-UHFFFAOYSA-N 1 2 363.421 3.140 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(Br)c1 ZINC000180925779 496202217 /nfs/dbraw/zinc/20/22/17/496202217.db2.gz URZANJHGTZADGI-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187055424 496272320 /nfs/dbraw/zinc/27/23/20/496272320.db2.gz HQOKGWGNIFBKJD-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187055424 496272325 /nfs/dbraw/zinc/27/23/25/496272325.db2.gz HQOKGWGNIFBKJD-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000156541427 496274118 /nfs/dbraw/zinc/27/41/18/496274118.db2.gz JXWODXIDTMGISU-LJQANCHMSA-N 1 2 373.497 3.360 20 30 FGEDLO CC(C)c1noc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)n1 ZINC000172412736 496286448 /nfs/dbraw/zinc/28/64/48/496286448.db2.gz QYDAWFPLPWIGJK-UHFFFAOYSA-N 1 2 367.409 3.004 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c[nH]1 ZINC000181290896 496342084 /nfs/dbraw/zinc/34/20/84/496342084.db2.gz BAJVNKNXHQBKFC-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c[nH]1 ZINC000181290896 496342091 /nfs/dbraw/zinc/34/20/91/496342091.db2.gz BAJVNKNXHQBKFC-OAHLLOKOSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000175354404 496353765 /nfs/dbraw/zinc/35/37/65/496353765.db2.gz QTHCUGOCZFXNEV-UHFFFAOYSA-N 1 2 373.460 3.387 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172614204 496363543 /nfs/dbraw/zinc/36/35/43/496363543.db2.gz HDVAUDMBLOSHFL-AWEZNQCLSA-N 1 2 367.478 3.297 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000157013145 496385378 /nfs/dbraw/zinc/38/53/78/496385378.db2.gz IAKJZCPRARPVOV-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)o1 ZINC000153233128 496392012 /nfs/dbraw/zinc/39/20/12/496392012.db2.gz TYOULMHZNTYFTC-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)n2c1 ZINC000162739559 496405687 /nfs/dbraw/zinc/40/56/87/496405687.db2.gz CWXMQEBNWIQDEG-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175474117 496407041 /nfs/dbraw/zinc/40/70/41/496407041.db2.gz CRDAGHBXOUCMFI-UHFFFAOYSA-N 1 2 356.470 3.446 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157579139 496507318 /nfs/dbraw/zinc/50/73/18/496507318.db2.gz KNJXJAXSSZBNFJ-KRWDZBQOSA-N 1 2 365.408 3.231 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157579139 496507321 /nfs/dbraw/zinc/50/73/21/496507321.db2.gz KNJXJAXSSZBNFJ-KRWDZBQOSA-N 1 2 365.408 3.231 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185093756 496656951 /nfs/dbraw/zinc/65/69/51/496656951.db2.gz UPKKUDRMLWGTDG-LBPRGKRZSA-N 1 2 365.368 3.037 20 30 FGEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)n1 ZINC000273410599 496798388 /nfs/dbraw/zinc/79/83/88/496798388.db2.gz STRUZVBMJNMXIK-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192140 496801949 /nfs/dbraw/zinc/80/19/49/496801949.db2.gz YJSWSBPXAJUADJ-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192140 496801954 /nfs/dbraw/zinc/80/19/54/496801954.db2.gz YJSWSBPXAJUADJ-SJORKVTESA-N 1 2 369.868 3.116 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nncn3-c3ccccc3)CC2)c1 ZINC000277626519 496834273 /nfs/dbraw/zinc/83/42/73/496834273.db2.gz GPYIDYUMNZDGOE-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188597986 496846162 /nfs/dbraw/zinc/84/61/62/496846162.db2.gz ZSXBAWRHJYIPHC-UHFFFAOYSA-N 1 2 364.449 3.038 20 30 FGEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000273668038 496869394 /nfs/dbraw/zinc/86/93/94/496869394.db2.gz YWFQGZSJHGPJST-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1OC ZINC000191744038 496875878 /nfs/dbraw/zinc/87/58/78/496875878.db2.gz GQRSATFSPHIREE-KRWDZBQOSA-N 1 2 359.495 3.284 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1OC ZINC000191744038 496875882 /nfs/dbraw/zinc/87/58/82/496875882.db2.gz GQRSATFSPHIREE-KRWDZBQOSA-N 1 2 359.495 3.284 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191895553 496923412 /nfs/dbraw/zinc/92/34/12/496923412.db2.gz YIKIDJYWVCYXKO-INWMFGNUSA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191895553 496923416 /nfs/dbraw/zinc/92/34/16/496923416.db2.gz YIKIDJYWVCYXKO-INWMFGNUSA-N 1 2 363.255 3.094 20 30 FGEDLO Cc1csc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000580960426 505877996 /nfs/dbraw/zinc/87/79/96/505877996.db2.gz MUCLSDUSSHKDEG-KRWDZBQOSA-N 1 2 370.478 3.123 20 30 FGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278153936 497021437 /nfs/dbraw/zinc/02/14/37/497021437.db2.gz YGRUBVZSHXOADR-UHFFFAOYSA-N 1 2 366.465 3.250 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270424273 497124844 /nfs/dbraw/zinc/12/48/44/497124844.db2.gz SYZYUVFEVNQUKN-NRFANRHFSA-N 1 2 363.465 3.068 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1=O ZINC000249027668 497151740 /nfs/dbraw/zinc/15/17/40/497151740.db2.gz RYRDRKBMHQYKTB-BBRMVZONSA-N 1 2 373.428 3.493 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1=O ZINC000249027668 497151744 /nfs/dbraw/zinc/15/17/44/497151744.db2.gz RYRDRKBMHQYKTB-BBRMVZONSA-N 1 2 373.428 3.493 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249156641 497176132 /nfs/dbraw/zinc/17/61/32/497176132.db2.gz YUQRVYKNDGCBBA-HUUCEWRRSA-N 1 2 362.495 3.034 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249156641 497176137 /nfs/dbraw/zinc/17/61/37/497176137.db2.gz YUQRVYKNDGCBBA-HUUCEWRRSA-N 1 2 362.495 3.034 20 30 FGEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc(OC)c1 ZINC000266546162 497368020 /nfs/dbraw/zinc/36/80/20/497368020.db2.gz RNSGLCSFZLLKRK-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc(OC)c1 ZINC000266546162 497368022 /nfs/dbraw/zinc/36/80/22/497368022.db2.gz RNSGLCSFZLLKRK-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152144 497377268 /nfs/dbraw/zinc/37/72/68/497377268.db2.gz VRVFRJRCMJINHB-ROUUACIJSA-N 1 2 356.426 3.023 20 30 FGEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152144 497377274 /nfs/dbraw/zinc/37/72/74/497377274.db2.gz VRVFRJRCMJINHB-ROUUACIJSA-N 1 2 356.426 3.023 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000245558111 497455545 /nfs/dbraw/zinc/45/55/45/497455545.db2.gz VJJNGXSTAJZDQU-PVAVHDDUSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000245558111 497455549 /nfs/dbraw/zinc/45/55/49/497455549.db2.gz VJJNGXSTAJZDQU-PVAVHDDUSA-N 1 2 365.271 3.089 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)on1 ZINC000267004704 497466850 /nfs/dbraw/zinc/46/68/50/497466850.db2.gz DOOZWVFGNOCIAE-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO Cc1ccn2cc(CNC(=O)Nc3ncccc3OCCCC#N)[nH+]c2c1 ZINC000276131545 497504603 /nfs/dbraw/zinc/50/46/03/497504603.db2.gz YUOFVMXUBOPYSZ-UHFFFAOYSA-N 1 2 364.409 3.042 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813504 497543356 /nfs/dbraw/zinc/54/33/56/497543356.db2.gz ZVOFGXBDDZIREF-LIRRHRJNSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813504 497543365 /nfs/dbraw/zinc/54/33/65/497543365.db2.gz ZVOFGXBDDZIREF-LIRRHRJNSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813504 497543371 /nfs/dbraw/zinc/54/33/71/497543371.db2.gz ZVOFGXBDDZIREF-LIRRHRJNSA-N 1 2 350.397 3.307 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000245928610 497575550 /nfs/dbraw/zinc/57/55/50/497575550.db2.gz YBGDKUMZROPDCG-BBRMVZONSA-N 1 2 351.397 3.265 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000245928610 497575555 /nfs/dbraw/zinc/57/55/55/497575555.db2.gz YBGDKUMZROPDCG-BBRMVZONSA-N 1 2 351.397 3.265 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000194589374 497712646 /nfs/dbraw/zinc/71/26/46/497712646.db2.gz IKKIPPREIYFBIM-UHFFFAOYSA-N 1 2 359.433 3.476 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000272830756 497740045 /nfs/dbraw/zinc/74/00/45/497740045.db2.gz LZBAHCNYULOYTE-UHFFFAOYSA-N 1 2 363.465 3.405 20 30 FGEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246616924 497790083 /nfs/dbraw/zinc/79/00/83/497790083.db2.gz VKASSYRKJKKMQL-WFASDCNBSA-N 1 2 361.492 3.472 20 30 FGEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccsc2)O1 ZINC000246616924 497790088 /nfs/dbraw/zinc/79/00/88/497790088.db2.gz VKASSYRKJKKMQL-WFASDCNBSA-N 1 2 361.492 3.472 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CC1)C1CCOCC1 ZINC000329610034 497844482 /nfs/dbraw/zinc/84/44/82/497844482.db2.gz CZEJLIZUNSHMNL-SJORKVTESA-N 1 2 358.486 3.066 20 30 FGEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)oc1C ZINC000292032706 497848250 /nfs/dbraw/zinc/84/82/50/497848250.db2.gz UMPSDONURUQPKC-UHFFFAOYSA-N 1 2 361.449 3.342 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1F ZINC000581220254 505936405 /nfs/dbraw/zinc/93/64/05/505936405.db2.gz DMQZUFLZHPLBFW-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC(=O)N1 ZINC000329640198 497853914 /nfs/dbraw/zinc/85/39/14/497853914.db2.gz ZHJIGZUSSYCRAY-RRFJBIMHSA-N 1 2 365.499 3.223 20 30 FGEDLO C#CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000364254692 497864004 /nfs/dbraw/zinc/86/40/04/497864004.db2.gz GJVIXHHHZPQSAK-LJQANCHMSA-N 1 2 363.392 3.091 20 30 FGEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329679001 497865734 /nfs/dbraw/zinc/86/57/34/497865734.db2.gz QQACESRZRSRIGY-LJQANCHMSA-N 1 2 372.513 3.246 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(F)[C@@H](C)C1)C1CCOCC1 ZINC000329744484 497886879 /nfs/dbraw/zinc/88/68/79/497886879.db2.gz XTYPKFNEJPCXDX-DZGCQCFKSA-N 1 2 370.444 3.262 20 30 FGEDLO Cc1cccc2c1OC[C@H](NC(=O)N1CCc3c([nH+]c(C(C)C)n3C)C1)C2 ZINC000329758290 497890905 /nfs/dbraw/zinc/89/09/05/497890905.db2.gz ZXGICDBMJTYWJK-MRXNPFEDSA-N 1 2 368.481 3.128 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCCC1 ZINC000572341849 505946179 /nfs/dbraw/zinc/94/61/79/505946179.db2.gz CYMDTQBQFRISNG-FQEVSTJZSA-N 1 2 367.493 3.183 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCCC1 ZINC000572341849 505946182 /nfs/dbraw/zinc/94/61/82/505946182.db2.gz CYMDTQBQFRISNG-FQEVSTJZSA-N 1 2 367.493 3.183 20 30 FGEDLO CC(C)c1nnc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000329838659 497920483 /nfs/dbraw/zinc/92/04/83/497920483.db2.gz VVAZJKMIZRVZIF-GUTXKFCHSA-N 1 2 354.520 3.252 20 30 FGEDLO CC(C)c1nnc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000329838659 497920489 /nfs/dbraw/zinc/92/04/89/497920489.db2.gz VVAZJKMIZRVZIF-GUTXKFCHSA-N 1 2 354.520 3.252 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)Cn2c(CC)[nH+]c3ccccc32)[C@@]12CCCO2 ZINC000329853156 497927877 /nfs/dbraw/zinc/92/78/77/497927877.db2.gz RWXMKRXZALQPDF-QKLQHJQFSA-N 1 2 357.454 3.282 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C[C@@H](C2CC2)O1 ZINC000329871806 497935400 /nfs/dbraw/zinc/93/54/00/497935400.db2.gz BAIRUOUYMOMFNY-XLIONFOSSA-N 1 2 372.509 3.191 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C[C@@H](C2CC2)O1 ZINC000329871806 497935405 /nfs/dbraw/zinc/93/54/05/497935405.db2.gz BAIRUOUYMOMFNY-XLIONFOSSA-N 1 2 372.509 3.191 20 30 FGEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1coc(C2CCOCC2)n1 ZINC000329894180 497942581 /nfs/dbraw/zinc/94/25/81/497942581.db2.gz BGGCXTPLOOLZFJ-UHFFFAOYSA-N 1 2 371.437 3.037 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901747 497945663 /nfs/dbraw/zinc/94/56/63/497945663.db2.gz OVFRCQCVWIMKSI-BIENJYKASA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901747 497945672 /nfs/dbraw/zinc/94/56/72/497945672.db2.gz OVFRCQCVWIMKSI-BIENJYKASA-N 1 2 360.454 3.324 20 30 FGEDLO Cc1noc(C)c1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329923772 497954970 /nfs/dbraw/zinc/95/49/70/497954970.db2.gz UPZOJMSSMAUJBR-STQMWFEESA-N 1 2 352.435 3.291 20 30 FGEDLO Cc1noc(C)c1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329923772 497954973 /nfs/dbraw/zinc/95/49/73/497954973.db2.gz UPZOJMSSMAUJBR-STQMWFEESA-N 1 2 352.435 3.291 20 30 FGEDLO Cc1cccc2c1OCC[C@H]2NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329928788 497956175 /nfs/dbraw/zinc/95/61/75/497956175.db2.gz MWMMTAPLGMFTOM-QGZVFWFLSA-N 1 2 354.454 3.098 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329933962 497959090 /nfs/dbraw/zinc/95/90/90/497959090.db2.gz JLVSBMHSJUEKLE-SJLPKXTDSA-N 1 2 355.486 3.382 20 30 FGEDLO O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329953078 497966178 /nfs/dbraw/zinc/96/61/78/497966178.db2.gz NBUMBZBQWFBYIU-GJZGRUSLSA-N 1 2 356.426 3.003 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)CCN1C ZINC000329953867 497967944 /nfs/dbraw/zinc/96/79/44/497967944.db2.gz OBHWPQMTVIEBCT-SFHVURJKSA-N 1 2 369.513 3.294 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCSc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329995775 497984460 /nfs/dbraw/zinc/98/44/60/497984460.db2.gz NSKBQUVUZVKXDK-CVEARBPZSA-N 1 2 371.510 3.239 20 30 FGEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000301193895 497993223 /nfs/dbraw/zinc/99/32/23/497993223.db2.gz MQQKWPXTUWZGJG-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO CN(C(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCCC1 ZINC000301217156 498005097 /nfs/dbraw/zinc/00/50/97/498005097.db2.gz ZPEXHGALJKQVEC-UHFFFAOYSA-N 1 2 374.916 3.125 20 30 FGEDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1cc(F)cc(C#N)c1 ZINC000289079117 498006473 /nfs/dbraw/zinc/00/64/73/498006473.db2.gz JLGKFVVPYDMPMB-IAGOWNOFSA-N 1 2 370.428 3.332 20 30 FGEDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1cc(F)cc(C#N)c1 ZINC000289079117 498006476 /nfs/dbraw/zinc/00/64/76/498006476.db2.gz JLGKFVVPYDMPMB-IAGOWNOFSA-N 1 2 370.428 3.332 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000281102017 498020493 /nfs/dbraw/zinc/02/04/93/498020493.db2.gz WHIZWMMJMBRPQL-QAPCUYQASA-N 1 2 372.469 3.181 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCOC[C@@H](C3CCC3)C1)C2 ZINC000330185631 498052699 /nfs/dbraw/zinc/05/26/99/498052699.db2.gz JFJOXVCSSJRVSI-IRXDYDNUSA-N 1 2 374.529 3.158 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292537970 498053468 /nfs/dbraw/zinc/05/34/68/498053468.db2.gz XNTLZORZDYEQMX-KSSFIOAISA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000292537970 498053474 /nfs/dbraw/zinc/05/34/74/498053474.db2.gz XNTLZORZDYEQMX-KSSFIOAISA-N 1 2 372.513 3.266 20 30 FGEDLO CCn1nc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c2ccccc21 ZINC000578585162 505973011 /nfs/dbraw/zinc/97/30/11/505973011.db2.gz WGHGGHBGUXPPMB-UHFFFAOYSA-N 1 2 366.494 3.015 20 30 FGEDLO Cc1nc(N2CCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)cc[nH+]1 ZINC000330226601 498068743 /nfs/dbraw/zinc/06/87/43/498068743.db2.gz UOGVEJYRLYTDKQ-OAHLLOKOSA-N 1 2 367.444 3.037 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000581372935 505973835 /nfs/dbraw/zinc/97/38/35/505973835.db2.gz DFWPUXHWOHIPES-KRWDZBQOSA-N 1 2 360.255 3.176 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248838 498079702 /nfs/dbraw/zinc/07/97/02/498079702.db2.gz GKDITHFFYSRYHP-UXHICEINSA-N 1 2 368.481 3.199 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000330248838 498079708 /nfs/dbraw/zinc/07/97/08/498079708.db2.gz GKDITHFFYSRYHP-UXHICEINSA-N 1 2 368.481 3.199 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)c1 ZINC000292649108 498093206 /nfs/dbraw/zinc/09/32/06/498093206.db2.gz XOKBMYCHBBFUJX-UHFFFAOYSA-N 1 2 373.460 3.241 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301237 498094923 /nfs/dbraw/zinc/09/49/23/498094923.db2.gz JVVVYMOVZOISEO-DOMZBBRYSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301237 498094934 /nfs/dbraw/zinc/09/49/34/498094934.db2.gz JVVVYMOVZOISEO-DOMZBBRYSA-N 1 2 360.845 3.170 20 30 FGEDLO CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000569622536 505978036 /nfs/dbraw/zinc/97/80/36/505978036.db2.gz YVNPOFCIFNSPGG-FQEVSTJZSA-N 1 2 363.461 3.288 20 30 FGEDLO CCc1ccc(CC)c(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000330343386 498112049 /nfs/dbraw/zinc/11/20/49/498112049.db2.gz BYNIUHFKIQVOQK-SFHVURJKSA-N 1 2 355.486 3.459 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330351736 498116350 /nfs/dbraw/zinc/11/63/50/498116350.db2.gz MQBXPYWSGIUPHL-GOSISDBHSA-N 1 2 353.470 3.213 20 30 FGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281393015 498134094 /nfs/dbraw/zinc/13/40/94/498134094.db2.gz IGYIQPVQKOIDNU-INIZCTEOSA-N 1 2 366.465 3.296 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000281447174 498153856 /nfs/dbraw/zinc/15/38/56/498153856.db2.gz UMDGBZHRAWFECW-HXUWFJFHSA-N 1 2 363.461 3.011 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000281447174 498153861 /nfs/dbraw/zinc/15/38/61/498153861.db2.gz UMDGBZHRAWFECW-HXUWFJFHSA-N 1 2 363.461 3.011 20 30 FGEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)n1 ZINC000364890975 498194786 /nfs/dbraw/zinc/19/47/86/498194786.db2.gz XSUANOAFGOKIHC-UHFFFAOYSA-N 1 2 369.494 3.083 20 30 FGEDLO Cc1cc(NC(=O)NCCC(=O)NC(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000330787214 498194810 /nfs/dbraw/zinc/19/48/10/498194810.db2.gz WTLIIKMOHAFODD-OAHLLOKOSA-N 1 2 361.490 3.009 20 30 FGEDLO CCn1c(C)nnc1C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364931084 498215138 /nfs/dbraw/zinc/21/51/38/498215138.db2.gz ATFHJGAMYBRMRQ-GFCCVEGCSA-N 1 2 352.467 3.452 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000293087988 498262872 /nfs/dbraw/zinc/26/28/72/498262872.db2.gz OIGRFHIKEKZQEO-INIZCTEOSA-N 1 2 374.366 3.101 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H](c2ccccc2)C1 ZINC000293087988 498262877 /nfs/dbraw/zinc/26/28/77/498262877.db2.gz OIGRFHIKEKZQEO-INIZCTEOSA-N 1 2 374.366 3.101 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000572611290 506011351 /nfs/dbraw/zinc/01/13/51/506011351.db2.gz ZLDHXDARYUHWDD-UHFFFAOYSA-N 1 2 367.449 3.425 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000331450221 498335669 /nfs/dbraw/zinc/33/56/69/498335669.db2.gz TYPIWMLVIPPXME-RBUKOAKNSA-N 1 2 354.498 3.342 20 30 FGEDLO C=C(C)[C@@H](CC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)OCC ZINC000361166270 498352767 /nfs/dbraw/zinc/35/27/67/498352767.db2.gz GXKFTGCIDIWWNY-GOSISDBHSA-N 1 2 356.470 3.019 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc(F)c(C#N)c1)CCCC2 ZINC000286541692 498429468 /nfs/dbraw/zinc/42/94/68/498429468.db2.gz QSYLHPKZURZIIB-SFHVURJKSA-N 1 2 352.413 3.287 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000302745502 498557256 /nfs/dbraw/zinc/55/72/56/498557256.db2.gz YEQAHJZUGSFZBP-UHFFFAOYSA-N 1 2 369.431 3.252 20 30 FGEDLO COc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OCCCC#N ZINC000282666054 498603596 /nfs/dbraw/zinc/60/35/96/498603596.db2.gz MIAGJFBUMAMXFK-UHFFFAOYSA-N 1 2 357.458 3.014 20 30 FGEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000282761919 498644919 /nfs/dbraw/zinc/64/49/19/498644919.db2.gz CFYSFWFUBYZBET-HNNXBMFYSA-N 1 2 372.542 3.146 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000298392329 498755761 /nfs/dbraw/zinc/75/57/61/498755761.db2.gz JMPFPGUCGKXLHY-ULQDDVLXSA-N 1 2 355.486 3.191 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000363340385 498769606 /nfs/dbraw/zinc/76/96/06/498769606.db2.gz PGAKFWGYZMHYDU-UXHICEINSA-N 1 2 373.460 3.358 20 30 FGEDLO C[C@H](c1cccs1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705101 498855167 /nfs/dbraw/zinc/85/51/67/498855167.db2.gz IKIPRLNYXFAPKY-OCCSQVGLSA-N 1 2 366.446 3.266 20 30 FGEDLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705101 498855173 /nfs/dbraw/zinc/85/51/73/498855173.db2.gz IKIPRLNYXFAPKY-OCCSQVGLSA-N 1 2 366.446 3.266 20 30 FGEDLO N#C[C@H](C(=O)C[N@H+](Cc1ccccc1)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298754944 498869544 /nfs/dbraw/zinc/86/95/44/498869544.db2.gz VQHFLIRIXFFREK-GOSISDBHSA-N 1 2 372.428 3.176 20 30 FGEDLO N#C[C@H](C(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298754944 498869549 /nfs/dbraw/zinc/86/95/49/498869549.db2.gz VQHFLIRIXFFREK-GOSISDBHSA-N 1 2 372.428 3.176 20 30 FGEDLO CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)c1c(C)nn(C)c1C ZINC000328636420 498884088 /nfs/dbraw/zinc/88/40/88/498884088.db2.gz AICIRYAIAQBUAC-HOTGVXAUSA-N 1 2 358.490 3.074 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C[C@@H]1CCCO1)C1CCCC1)CCC2 ZINC000328651174 498890365 /nfs/dbraw/zinc/89/03/65/498890365.db2.gz JRIREBIADIXOIL-WMZOPIPTSA-N 1 2 360.502 3.407 20 30 FGEDLO Cc1csc([C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C2CC2)n1 ZINC000328658882 498893272 /nfs/dbraw/zinc/89/32/72/498893272.db2.gz RVRHYDYHSADZEG-LSDHHAIUSA-N 1 2 359.499 3.489 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C4CCCC4)n3)CC2)cc1 ZINC000328716893 498912940 /nfs/dbraw/zinc/91/29/40/498912940.db2.gz UGRWHNGARCCFBG-UHFFFAOYSA-N 1 2 364.449 3.162 20 30 FGEDLO Cc1csc(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)n1 ZINC000363636093 498917566 /nfs/dbraw/zinc/91/75/66/498917566.db2.gz UUURFKAVTALHOI-HNNXBMFYSA-N 1 2 372.519 3.370 20 30 FGEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283581227 498930299 /nfs/dbraw/zinc/93/02/99/498930299.db2.gz KIAUKYVGMBYDRN-OAHLLOKOSA-N 1 2 372.517 3.295 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000328786744 498938413 /nfs/dbraw/zinc/93/84/13/498938413.db2.gz OTEAORYFJYOMPA-LSDHHAIUSA-N 1 2 365.499 3.225 20 30 FGEDLO O=C(CC1(O)CCCCC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000328803114 498943209 /nfs/dbraw/zinc/94/32/09/498943209.db2.gz BFLVHTOQVNCUJF-HNNXBMFYSA-N 1 2 352.500 3.163 20 30 FGEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328840960 498957270 /nfs/dbraw/zinc/95/72/70/498957270.db2.gz OLXBPGJSSKMZDB-GOSISDBHSA-N 1 2 354.454 3.035 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)CCC2 ZINC000328845026 498959581 /nfs/dbraw/zinc/95/95/81/498959581.db2.gz VGWDSLIBVNQBJQ-HOTGVXAUSA-N 1 2 360.502 3.310 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnc3c(cnn3C(C)C)c1)CCC2 ZINC000328845505 498959754 /nfs/dbraw/zinc/95/97/54/498959754.db2.gz VICQLSRTUAXOIN-AWEZNQCLSA-N 1 2 352.442 3.399 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570220402 506118234 /nfs/dbraw/zinc/11/82/34/506118234.db2.gz CMLWUERYHHMCTQ-BXUZGUMPSA-N 1 2 351.237 3.132 20 30 FGEDLO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328907814 498981504 /nfs/dbraw/zinc/98/15/04/498981504.db2.gz CJUUKRTZOUPVKO-MRXNPFEDSA-N 1 2 371.460 3.311 20 30 FGEDLO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328907814 498981510 /nfs/dbraw/zinc/98/15/10/498981510.db2.gz CJUUKRTZOUPVKO-MRXNPFEDSA-N 1 2 371.460 3.311 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328933793 498990818 /nfs/dbraw/zinc/99/08/18/498990818.db2.gz BYYFTGHIODFKCX-IPELMVKDSA-N 1 2 360.498 3.434 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000328933793 498990828 /nfs/dbraw/zinc/99/08/28/498990828.db2.gz BYYFTGHIODFKCX-IPELMVKDSA-N 1 2 360.498 3.434 20 30 FGEDLO Cc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000328938266 498992121 /nfs/dbraw/zinc/99/21/21/498992121.db2.gz DHXNHQGUHDGLDR-AWEZNQCLSA-N 1 2 371.485 3.365 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOCC23CCCC3)c1C ZINC000328944693 498994005 /nfs/dbraw/zinc/99/40/05/498994005.db2.gz UWJGOQUKJNCMDN-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOCC23CCCC3)c1C ZINC000328944693 498994015 /nfs/dbraw/zinc/99/40/15/498994015.db2.gz UWJGOQUKJNCMDN-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000291595865 499006295 /nfs/dbraw/zinc/00/62/95/499006295.db2.gz HZWBXCWBQKMDSH-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366705234 499040432 /nfs/dbraw/zinc/04/04/32/499040432.db2.gz UFLTUXJRWOESRO-AWEZNQCLSA-N 1 2 356.401 3.042 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366705235 499040511 /nfs/dbraw/zinc/04/05/11/499040511.db2.gz UFLTUXJRWOESRO-CQSZACIVSA-N 1 2 356.401 3.042 20 30 FGEDLO Cc1sc2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)nc(N)c2c1C ZINC000329158061 499058730 /nfs/dbraw/zinc/05/87/30/499058730.db2.gz WRBISDKYBNEWII-UHFFFAOYSA-N 1 2 359.499 3.221 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692143 499082042 /nfs/dbraw/zinc/08/20/42/499082042.db2.gz DLTDMPHOUOORMN-RHSMWYFYSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692143 499082044 /nfs/dbraw/zinc/08/20/44/499082044.db2.gz DLTDMPHOUOORMN-RHSMWYFYSA-N 1 2 352.438 3.370 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000366846364 499092749 /nfs/dbraw/zinc/09/27/49/499092749.db2.gz PEFBLTHAAVGENV-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000366846364 499092752 /nfs/dbraw/zinc/09/27/52/499092752.db2.gz PEFBLTHAAVGENV-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892624 499108655 /nfs/dbraw/zinc/10/86/55/499108655.db2.gz KLYRTVMNWBGQTK-OALUTQOASA-N 1 2 366.465 3.009 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892624 499108659 /nfs/dbraw/zinc/10/86/59/499108659.db2.gz KLYRTVMNWBGQTK-OALUTQOASA-N 1 2 366.465 3.009 20 30 FGEDLO O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329369679 499110964 /nfs/dbraw/zinc/11/09/64/499110964.db2.gz IJDYJKOFYBWYJP-QAPCUYQASA-N 1 2 357.454 3.362 20 30 FGEDLO O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329369679 499110966 /nfs/dbraw/zinc/11/09/66/499110966.db2.gz IJDYJKOFYBWYJP-QAPCUYQASA-N 1 2 357.454 3.362 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329406628 499116336 /nfs/dbraw/zinc/11/63/36/499116336.db2.gz ZLTMMTDSWIXTCT-SJLPKXTDSA-N 1 2 350.503 3.468 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329406628 499116338 /nfs/dbraw/zinc/11/63/38/499116338.db2.gz ZLTMMTDSWIXTCT-SJLPKXTDSA-N 1 2 350.503 3.468 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C)[C@H]3C)n2)C1 ZINC000329429666 499120801 /nfs/dbraw/zinc/12/08/01/499120801.db2.gz JWRUWZGRBGGHTH-MGPQQGTHSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C)[C@H]3C)n2)C1 ZINC000329429666 499120804 /nfs/dbraw/zinc/12/08/04/499120804.db2.gz JWRUWZGRBGGHTH-MGPQQGTHSA-N 1 2 352.504 3.030 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000364170829 499127288 /nfs/dbraw/zinc/12/72/88/499127288.db2.gz SNOSQHFSSSKXJX-KRWDZBQOSA-N 1 2 366.531 3.195 20 30 FGEDLO Cc1cc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329532689 499129324 /nfs/dbraw/zinc/12/93/24/499129324.db2.gz XMLVJCIUNLTXOA-ZDUSSCGKSA-N 1 2 366.425 3.153 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC[C@H]3Cc3c[nH]c4ccccc34)n2c1 ZINC000367047976 499139292 /nfs/dbraw/zinc/13/92/92/499139292.db2.gz PAUONARBDZXKRP-GOSISDBHSA-N 1 2 371.444 3.131 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC[C@H]3Cc3c[nH]c4ccccc34)n2c1 ZINC000367047976 499139294 /nfs/dbraw/zinc/13/92/94/499139294.db2.gz PAUONARBDZXKRP-GOSISDBHSA-N 1 2 371.444 3.131 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258461 499169480 /nfs/dbraw/zinc/16/94/80/499169480.db2.gz CVDABEFUJPLQNK-HCXYKTFWSA-N 1 2 368.525 3.268 20 30 FGEDLO N#CCC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000372761548 499172086 /nfs/dbraw/zinc/17/20/86/499172086.db2.gz AHYYYIAZJYOGME-SFHVURJKSA-N 1 2 360.421 3.112 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@]2(C#N)CCc3ccccc3C2)c1C ZINC000367694580 499225243 /nfs/dbraw/zinc/22/52/43/499225243.db2.gz UHTLBMUYVIAIAN-JOCHJYFZSA-N 1 2 363.461 3.364 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000367944190 499248248 /nfs/dbraw/zinc/24/82/48/499248248.db2.gz KPNFKZJRSDSRHO-SFHVURJKSA-N 1 2 368.481 3.149 20 30 FGEDLO N#Cc1cc2c(nc1NC(=O)[C@@H]1CCCN(c3cccc[nH+]3)C1)CCCC2 ZINC000368376152 499290275 /nfs/dbraw/zinc/29/02/75/499290275.db2.gz AYCQSEGPUZVSCF-MRXNPFEDSA-N 1 2 361.449 3.082 20 30 FGEDLO Cn1c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2sc1=O ZINC000368439785 499296162 /nfs/dbraw/zinc/29/61/62/499296162.db2.gz XZOKYTULKODPQW-GOSISDBHSA-N 1 2 365.458 3.045 20 30 FGEDLO Cn1c2ccc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2sc1=O ZINC000368439785 499296163 /nfs/dbraw/zinc/29/61/63/499296163.db2.gz XZOKYTULKODPQW-GOSISDBHSA-N 1 2 365.458 3.045 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368514229 499303533 /nfs/dbraw/zinc/30/35/33/499303533.db2.gz LYLWJSWASTVOAW-CQSZACIVSA-N 1 2 370.403 3.244 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812320 499335586 /nfs/dbraw/zinc/33/55/86/499335586.db2.gz NCCLCWTVCDBXBV-KGLIPLIRSA-N 1 2 360.433 3.339 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000368841305 499338456 /nfs/dbraw/zinc/33/84/56/499338456.db2.gz DQJBRUPEVIZXHX-CYBMUJFWSA-N 1 2 365.437 3.025 20 30 FGEDLO Cc1cc(N2CCC(N(C)C(=O)NCCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000369083633 499364087 /nfs/dbraw/zinc/36/40/87/499364087.db2.gz INOMTGQBYCEHOI-UHFFFAOYSA-N 1 2 372.517 3.213 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000371781574 499365018 /nfs/dbraw/zinc/36/50/18/499365018.db2.gz LVYZSGWZSIGLCN-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000371781574 499365020 /nfs/dbraw/zinc/36/50/20/499365020.db2.gz LVYZSGWZSIGLCN-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000369128620 499368567 /nfs/dbraw/zinc/36/85/67/499368567.db2.gz WDOYSHMTHWWOQJ-IBGZPJMESA-N 1 2 362.477 3.430 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000369216334 499378583 /nfs/dbraw/zinc/37/85/83/499378583.db2.gz VBIVXKGVLWTTRQ-INIZCTEOSA-N 1 2 366.440 3.414 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000369545109 499415297 /nfs/dbraw/zinc/41/52/97/499415297.db2.gz CTUWSJZRZZCYHW-WBVHZDCISA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000369545109 499415299 /nfs/dbraw/zinc/41/52/99/499415299.db2.gz CTUWSJZRZZCYHW-WBVHZDCISA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000369545108 499415396 /nfs/dbraw/zinc/41/53/96/499415396.db2.gz CTUWSJZRZZCYHW-RDJZCZTQSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@]2(CCOC2)O1 ZINC000369545108 499415398 /nfs/dbraw/zinc/41/53/98/499415398.db2.gz CTUWSJZRZZCYHW-RDJZCZTQSA-N 1 2 365.271 3.091 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ncccc1OCCCC#N)C2 ZINC000372396696 499428927 /nfs/dbraw/zinc/42/89/27/499428927.db2.gz NWXXJIMIMPGCDP-AWEZNQCLSA-N 1 2 367.453 3.354 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ncccc1OCCCC#N)CC2 ZINC000372396696 499428928 /nfs/dbraw/zinc/42/89/28/499428928.db2.gz NWXXJIMIMPGCDP-AWEZNQCLSA-N 1 2 367.453 3.354 20 30 FGEDLO N#Cc1c(F)ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Cl ZINC000369682044 499435693 /nfs/dbraw/zinc/43/56/93/499435693.db2.gz BRCXXYVFKKRSDL-UHFFFAOYSA-N 1 2 363.780 3.293 20 30 FGEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)CCC1 ZINC000372940243 499443875 /nfs/dbraw/zinc/44/38/75/499443875.db2.gz LFXCBIYVAQBFNX-UHFFFAOYSA-N 1 2 352.482 3.390 20 30 FGEDLO N#Cc1ncn(C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)n1 ZINC000373466057 499471434 /nfs/dbraw/zinc/47/14/34/499471434.db2.gz NENGOSDOHHIFLD-UHFFFAOYSA-N 1 2 354.216 3.433 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373769203 499487048 /nfs/dbraw/zinc/48/70/48/499487048.db2.gz GSEIGBGFWINMNB-JKSUJKDBSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373769203 499487049 /nfs/dbraw/zinc/48/70/49/499487049.db2.gz GSEIGBGFWINMNB-JKSUJKDBSA-N 1 2 364.852 3.217 20 30 FGEDLO COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375442555 499519506 /nfs/dbraw/zinc/51/95/06/499519506.db2.gz GUHZIRXVEZWQCV-TZMCWYRMSA-N 1 2 371.824 3.293 20 30 FGEDLO CC(=O)c1csc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000378485116 499523032 /nfs/dbraw/zinc/52/30/32/499523032.db2.gz ZHASMWUIBWYONN-UHFFFAOYSA-N 1 2 367.474 3.239 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595309 499536234 /nfs/dbraw/zinc/53/62/34/499536234.db2.gz GVSVSTARJDWJFW-ROUUACIJSA-N 1 2 350.466 3.309 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595309 499536235 /nfs/dbraw/zinc/53/62/35/499536235.db2.gz GVSVSTARJDWJFW-ROUUACIJSA-N 1 2 350.466 3.309 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(c3cccc(F)c3F)CC2)CCCCC1 ZINC000576401052 506149486 /nfs/dbraw/zinc/14/94/86/506149486.db2.gz ZCQFMKUKBOPJLG-UHFFFAOYSA-N 1 2 361.436 3.487 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC(c4c[nH]c[nH+]4)CC3)c2c1 ZINC000376448874 499609568 /nfs/dbraw/zinc/60/95/68/499609568.db2.gz KVAIYCKZGZTDBZ-UHFFFAOYSA-N 1 2 363.421 3.231 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC(c4c[nH+]c[nH]4)CC3)c2c1 ZINC000376448874 499609570 /nfs/dbraw/zinc/60/95/70/499609570.db2.gz KVAIYCKZGZTDBZ-UHFFFAOYSA-N 1 2 363.421 3.231 20 30 FGEDLO N#Cc1nccnc1N1CCC(c2[nH]cc(-c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC000377337762 499681068 /nfs/dbraw/zinc/68/10/68/499681068.db2.gz PQXJYHFTTJDAPR-UHFFFAOYSA-N 1 2 366.375 3.401 20 30 FGEDLO CC(C)Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000411131016 499701098 /nfs/dbraw/zinc/70/10/98/499701098.db2.gz WZLKQEABOPVHAK-UHFFFAOYSA-N 1 2 350.466 3.043 20 30 FGEDLO C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000377912973 499747428 /nfs/dbraw/zinc/74/74/28/499747428.db2.gz MKJAUPZTZKTYRP-AWEZNQCLSA-N 1 2 361.453 3.032 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411510240 499749260 /nfs/dbraw/zinc/74/92/60/499749260.db2.gz FQPRZRSAPOPVAO-RBUKOAKNSA-N 1 2 367.449 3.260 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412102811 499823454 /nfs/dbraw/zinc/82/34/54/499823454.db2.gz KLOOQYOHPMYAAB-LJQANCHMSA-N 1 2 362.495 3.178 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412102811 499823456 /nfs/dbraw/zinc/82/34/56/499823456.db2.gz KLOOQYOHPMYAAB-LJQANCHMSA-N 1 2 362.495 3.178 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1c(F)cccc1F ZINC000412110178 499824129 /nfs/dbraw/zinc/82/41/29/499824129.db2.gz LKSQSZXJKMCWFE-FRQCXROJSA-N 1 2 369.415 3.359 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1c(F)cccc1F ZINC000412110176 499824166 /nfs/dbraw/zinc/82/41/66/499824166.db2.gz LKSQSZXJKMCWFE-FCEWJHQRSA-N 1 2 369.415 3.359 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412297311 499842308 /nfs/dbraw/zinc/84/23/08/499842308.db2.gz DNFBUGQFMCHMMR-RBUKOAKNSA-N 1 2 350.466 3.359 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)c(Cl)c1 ZINC000570415495 506162901 /nfs/dbraw/zinc/16/29/01/506162901.db2.gz NSMIJWVANNOQEK-UHFFFAOYSA-N 1 2 352.869 3.418 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428905147 499956101 /nfs/dbraw/zinc/95/61/01/499956101.db2.gz ITRNGDWZTPNMPJ-UHFFFAOYSA-N 1 2 368.452 3.486 20 30 FGEDLO C=CCC1(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CCOCC1 ZINC000424862903 499957449 /nfs/dbraw/zinc/95/74/49/499957449.db2.gz HNXHMJPCEVGBMT-UHFFFAOYSA-N 1 2 368.275 3.222 20 30 FGEDLO C[C@@](CO)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428980759 499972720 /nfs/dbraw/zinc/97/27/20/499972720.db2.gz WOXGMDQWBZVOEC-KRWDZBQOSA-N 1 2 363.230 3.457 20 30 FGEDLO CCOCC[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429205759 500023783 /nfs/dbraw/zinc/02/37/83/500023783.db2.gz CYUJTOCPCPGRKP-UHFFFAOYSA-N 1 2 372.694 3.133 20 30 FGEDLO Cc1cc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C#N)c[nH+]1 ZINC000425204255 500044298 /nfs/dbraw/zinc/04/42/98/500044298.db2.gz HANBNRFDSNTIBW-ZDUSSCGKSA-N 1 2 355.829 3.165 20 30 FGEDLO Cc1cc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(C#N)c[nH+]1 ZINC000425211933 500044964 /nfs/dbraw/zinc/04/49/64/500044964.db2.gz YWCKJYKFBYNKQL-UHFFFAOYSA-N 1 2 355.829 3.165 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425472675 500115897 /nfs/dbraw/zinc/11/58/97/500115897.db2.gz JVXLDSPGWYJVCZ-YCCRMZCTSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425472675 500115902 /nfs/dbraw/zinc/11/59/02/500115902.db2.gz JVXLDSPGWYJVCZ-YCCRMZCTSA-N 1 2 364.852 3.216 20 30 FGEDLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000421738343 500136357 /nfs/dbraw/zinc/13/63/57/500136357.db2.gz RPINBCQSDXCUKT-UHFFFAOYSA-N 1 2 362.477 3.209 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000425823915 500201850 /nfs/dbraw/zinc/20/18/50/500201850.db2.gz PAWHOHVBTBRYKL-OAHLLOKOSA-N 1 2 350.422 3.037 20 30 FGEDLO N#Cc1cnc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c(Cl)c1 ZINC000427907049 500444532 /nfs/dbraw/zinc/44/45/32/500444532.db2.gz SBNCYBPRAXTUGV-UHFFFAOYSA-N 1 2 369.856 3.312 20 30 FGEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000424258402 500476692 /nfs/dbraw/zinc/47/66/92/500476692.db2.gz WYUIHSYDZMYFMM-QGZVFWFLSA-N 1 2 373.526 3.338 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000428395785 500504869 /nfs/dbraw/zinc/50/48/69/500504869.db2.gz FJJAVLLNUOAOGD-INIZCTEOSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000428395785 500504870 /nfs/dbraw/zinc/50/48/70/500504870.db2.gz FJJAVLLNUOAOGD-INIZCTEOSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420957801 500541814 /nfs/dbraw/zinc/54/18/14/500541814.db2.gz ZYWOQPIDEZJBKI-WCQYABFASA-N 1 2 357.401 3.389 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420957801 500541817 /nfs/dbraw/zinc/54/18/17/500541817.db2.gz ZYWOQPIDEZJBKI-WCQYABFASA-N 1 2 357.401 3.389 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@]23CCOC3)c1C#N ZINC000421009301 500552924 /nfs/dbraw/zinc/55/29/24/500552924.db2.gz BOFVEDIKMCQSFK-OAQYLSRUSA-N 1 2 370.497 3.285 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@]23CCOC3)c1C#N ZINC000421009301 500552928 /nfs/dbraw/zinc/55/29/28/500552928.db2.gz BOFVEDIKMCQSFK-OAQYLSRUSA-N 1 2 370.497 3.285 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC1CCC(C#N)CC1 ZINC000442731609 500616443 /nfs/dbraw/zinc/61/64/43/500616443.db2.gz VAYISTOYBBAJDA-UHFFFAOYSA-N 1 2 365.481 3.403 20 30 FGEDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000447801006 500664747 /nfs/dbraw/zinc/66/47/47/500664747.db2.gz AWJQSKUTRKKUSZ-HNNXBMFYSA-N 1 2 366.421 3.472 20 30 FGEDLO N#C[C@@]1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC12CCCC2 ZINC000448765861 500828055 /nfs/dbraw/zinc/82/80/55/500828055.db2.gz UGBUEPULCUHADA-QGZVFWFLSA-N 1 2 373.254 3.187 20 30 FGEDLO N#Cc1ccc(OCC(=O)NCc2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000434370238 500833718 /nfs/dbraw/zinc/83/37/18/500833718.db2.gz PHHJIRRQQXCAEB-UHFFFAOYSA-N 1 2 374.444 3.083 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579051 506220771 /nfs/dbraw/zinc/22/07/71/506220771.db2.gz HDMGGZQFGHHZGH-ZBFHGGJFSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579051 506220776 /nfs/dbraw/zinc/22/07/76/506220776.db2.gz HDMGGZQFGHHZGH-ZBFHGGJFSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000444639938 500871391 /nfs/dbraw/zinc/87/13/91/500871391.db2.gz ODLSPRWWAKZBFM-CJAUYULYSA-N 1 2 352.503 3.339 20 30 FGEDLO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000444639938 500871392 /nfs/dbraw/zinc/87/13/92/500871392.db2.gz ODLSPRWWAKZBFM-CJAUYULYSA-N 1 2 352.503 3.339 20 30 FGEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CCCCC1 ZINC000444773241 500896734 /nfs/dbraw/zinc/89/67/34/500896734.db2.gz QQFVTFQLTAFRIM-UHFFFAOYSA-N 1 2 374.916 3.125 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOCc1ccccc1 ZINC000439480939 500904175 /nfs/dbraw/zinc/90/41/75/500904175.db2.gz WWEIPUOYTQROLK-HXUWFJFHSA-N 1 2 352.434 3.311 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439480939 500904177 /nfs/dbraw/zinc/90/41/77/500904177.db2.gz WWEIPUOYTQROLK-HXUWFJFHSA-N 1 2 352.434 3.311 20 30 FGEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434866008 500904319 /nfs/dbraw/zinc/90/43/19/500904319.db2.gz VCWJHLMPKUHQNE-BXUZGUMPSA-N 1 2 359.426 3.224 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c(F)c1 ZINC000435133694 500937501 /nfs/dbraw/zinc/93/75/01/500937501.db2.gz CNYPXXWUCXJDRR-UHFFFAOYSA-N 1 2 351.385 3.003 20 30 FGEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000435333078 500956822 /nfs/dbraw/zinc/95/68/22/500956822.db2.gz NESSTOLIUQTLMX-UHFFFAOYSA-N 1 2 365.824 3.146 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000588202158 506232430 /nfs/dbraw/zinc/23/24/30/506232430.db2.gz JGEFDPJOPLHWFQ-QGZVFWFLSA-N 1 2 358.239 3.369 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000588202158 506232435 /nfs/dbraw/zinc/23/24/35/506232435.db2.gz JGEFDPJOPLHWFQ-QGZVFWFLSA-N 1 2 358.239 3.369 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000440981454 501071053 /nfs/dbraw/zinc/07/10/53/501071053.db2.gz WAYWSFCWQAPKRX-UHFFFAOYSA-N 1 2 368.452 3.025 20 30 FGEDLO COC(=O)C1([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000441006212 501074280 /nfs/dbraw/zinc/07/42/80/501074280.db2.gz GRYKBCMMJPEQAK-UHFFFAOYSA-N 1 2 355.356 3.354 20 30 FGEDLO COC(=O)C1([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000441006212 501074282 /nfs/dbraw/zinc/07/42/82/501074282.db2.gz GRYKBCMMJPEQAK-UHFFFAOYSA-N 1 2 355.356 3.354 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000450382990 501106562 /nfs/dbraw/zinc/10/65/62/501106562.db2.gz YQHNZPOZWODAIB-UHFFFAOYSA-N 1 2 361.449 3.286 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441370345 501128954 /nfs/dbraw/zinc/12/89/54/501128954.db2.gz XIUJURLOSGXEJI-QGZVFWFLSA-N 1 2 361.917 3.219 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441370345 501128956 /nfs/dbraw/zinc/12/89/56/501128956.db2.gz XIUJURLOSGXEJI-QGZVFWFLSA-N 1 2 361.917 3.219 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441429485 501137343 /nfs/dbraw/zinc/13/73/43/501137343.db2.gz PFMNQUOBCPXXRZ-PGRDOPGGSA-N 1 2 374.525 3.347 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441429485 501137347 /nfs/dbraw/zinc/13/73/47/501137347.db2.gz PFMNQUOBCPXXRZ-PGRDOPGGSA-N 1 2 374.525 3.347 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000455999997 501435202 /nfs/dbraw/zinc/43/52/02/501435202.db2.gz KTGOCZLMWQDTAY-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000456111866 501457289 /nfs/dbraw/zinc/45/72/89/501457289.db2.gz LQNAXCBODZPLTN-GOSISDBHSA-N 1 2 371.481 3.317 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000456111866 501457290 /nfs/dbraw/zinc/45/72/90/501457290.db2.gz LQNAXCBODZPLTN-GOSISDBHSA-N 1 2 371.481 3.317 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000458685331 501507575 /nfs/dbraw/zinc/50/75/75/501507575.db2.gz LDKASYRLOYLHAF-HOCLYGCPSA-N 1 2 360.889 3.080 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000458685331 501507579 /nfs/dbraw/zinc/50/75/79/501507579.db2.gz LDKASYRLOYLHAF-HOCLYGCPSA-N 1 2 360.889 3.080 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2[nH+]ccn21 ZINC000456377549 501512868 /nfs/dbraw/zinc/51/28/68/501512868.db2.gz LBVQMCWTOOUSCF-CXAGYDPISA-N 1 2 362.389 3.363 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459111063 501595764 /nfs/dbraw/zinc/59/57/64/501595764.db2.gz LTPDBNZDROPNOU-BBRMVZONSA-N 1 2 355.398 3.195 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456976387 501628698 /nfs/dbraw/zinc/62/86/98/501628698.db2.gz BSMUGUKXEWURGY-GFCCVEGCSA-N 1 2 368.275 3.222 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000459344191 501635467 /nfs/dbraw/zinc/63/54/67/501635467.db2.gz BBEVHRFGZUMLRT-UHFFFAOYSA-N 1 2 370.453 3.127 20 30 FGEDLO COc1cc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc(OC)c1OC ZINC000459387413 501644501 /nfs/dbraw/zinc/64/45/01/501644501.db2.gz CZEUKEHYHXUVTP-GFCCVEGCSA-N 1 2 371.393 3.343 20 30 FGEDLO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C#N)sc2C)cc1 ZINC000459458695 501657378 /nfs/dbraw/zinc/65/73/78/501657378.db2.gz FTAQMPOAHUUCJV-GOEBONIOSA-N 1 2 370.478 3.348 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc2c(s1)CCC2 ZINC000459632261 501690035 /nfs/dbraw/zinc/69/00/35/501690035.db2.gz JDYUJHRBDGREOJ-SNVBAGLBSA-N 1 2 360.870 3.446 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@H](C#N)C(C)C)cc3)cn2c1 ZINC000470573453 501731796 /nfs/dbraw/zinc/73/17/96/501731796.db2.gz GJBFAJZNONAOKM-LJQANCHMSA-N 1 2 362.433 3.500 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000463502071 501743695 /nfs/dbraw/zinc/74/36/95/501743695.db2.gz CTSVRRZCGQKGDC-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@H]1C ZINC000467287165 501758367 /nfs/dbraw/zinc/75/83/67/501758367.db2.gz FCCBUGPIUYUZHK-AUUYWEPGSA-N 1 2 372.513 3.387 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@H]1C ZINC000467287165 501758371 /nfs/dbraw/zinc/75/83/71/501758371.db2.gz FCCBUGPIUYUZHK-AUUYWEPGSA-N 1 2 372.513 3.387 20 30 FGEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000467322754 501769561 /nfs/dbraw/zinc/76/95/61/501769561.db2.gz CIUDHOCCKSOAQV-UHFFFAOYSA-N 1 2 362.433 3.283 20 30 FGEDLO CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1[nH]cc[nH+]1 ZINC000470699370 501772844 /nfs/dbraw/zinc/77/28/44/501772844.db2.gz PGXQRVSHWSQFDE-OAHLLOKOSA-N 1 2 350.378 3.334 20 30 FGEDLO Cc1nc(SCC(=O)Nc2cccc3[nH+]ccn32)c(C#N)c(C)c1C ZINC000460330619 501793581 /nfs/dbraw/zinc/79/35/81/501793581.db2.gz IOGGTRGTBIHOFR-UHFFFAOYSA-N 1 2 351.435 3.257 20 30 FGEDLO C=CCSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000485456879 501826398 /nfs/dbraw/zinc/82/63/98/501826398.db2.gz OPYCZXLGKLKDLC-UHFFFAOYSA-N 1 2 369.490 3.126 20 30 FGEDLO N#CC1(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000482682339 502151727 /nfs/dbraw/zinc/15/17/27/502151727.db2.gz WAPLEKXPRDGJRZ-UHFFFAOYSA-N 1 2 352.251 3.010 20 30 FGEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499040 502172625 /nfs/dbraw/zinc/17/26/25/502172625.db2.gz BYWGXYBHDHJRGI-BEFAXECRSA-N 1 2 366.465 3.227 20 30 FGEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499040 502172629 /nfs/dbraw/zinc/17/26/29/502172629.db2.gz BYWGXYBHDHJRGI-BEFAXECRSA-N 1 2 366.465 3.227 20 30 FGEDLO N#Cc1c[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000479536244 502289489 /nfs/dbraw/zinc/28/94/89/502289489.db2.gz CXDUEMYSPBJVKQ-INIZCTEOSA-N 1 2 360.820 3.246 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000483212141 502314726 /nfs/dbraw/zinc/31/47/26/502314726.db2.gz QZUAOZGDKVBYBK-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000483212141 502314730 /nfs/dbraw/zinc/31/47/30/502314730.db2.gz QZUAOZGDKVBYBK-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483249926 502327695 /nfs/dbraw/zinc/32/76/95/502327695.db2.gz LDXVTMSENZSVIM-HNNXBMFYSA-N 1 2 364.232 3.127 20 30 FGEDLO Cc1ccc2c(ncc(C#N)c2NCCn2cc[nH+]c2)c1Br ZINC000479855485 502398299 /nfs/dbraw/zinc/39/82/99/502398299.db2.gz ZYTREKCVYLOQEL-UHFFFAOYSA-N 1 2 356.227 3.486 20 30 FGEDLO C=CC[N@@H+](Cc1csc(CC)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213376 506314572 /nfs/dbraw/zinc/31/45/72/506314572.db2.gz IKJISKHYKXEBRA-AWEZNQCLSA-N 1 2 354.483 3.430 20 30 FGEDLO C=CC[N@H+](Cc1csc(CC)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213376 506314577 /nfs/dbraw/zinc/31/45/77/506314577.db2.gz IKJISKHYKXEBRA-AWEZNQCLSA-N 1 2 354.483 3.430 20 30 FGEDLO Fc1ccc(F)c(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c1 ZINC000469725868 502518273 /nfs/dbraw/zinc/51/82/73/502518273.db2.gz QTCGUOJDXAKYMU-UHFFFAOYSA-N 1 2 374.300 3.301 20 30 FGEDLO CC(C)N(C)c1ccc(CNc2ccn(-c3cccc(F)c3C#N)n2)c[nH+]1 ZINC000480269295 502519867 /nfs/dbraw/zinc/51/98/67/502519867.db2.gz WAPNOIMNBRMTNB-UHFFFAOYSA-N 1 2 364.428 3.157 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1)[NH+]1CCOCC1 ZINC000602835529 506320615 /nfs/dbraw/zinc/32/06/15/506320615.db2.gz ZFHDXPAIVURSML-SZVBFZGTSA-N 1 2 356.470 3.236 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000473287211 502560176 /nfs/dbraw/zinc/56/01/76/502560176.db2.gz JPQSZBRWFMOTSR-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000484079156 502563702 /nfs/dbraw/zinc/56/37/02/502563702.db2.gz DZFHONBFGPMAMF-OAQYLSRUSA-N 1 2 360.457 3.466 20 30 FGEDLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000484079156 502563707 /nfs/dbraw/zinc/56/37/07/502563707.db2.gz DZFHONBFGPMAMF-OAQYLSRUSA-N 1 2 360.457 3.466 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2cccs2)CC1 ZINC000466462398 502577325 /nfs/dbraw/zinc/57/73/25/502577325.db2.gz CSDQOSKOZCNRMJ-GNZRSQJKSA-N 1 2 374.554 3.189 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000466496694 502587272 /nfs/dbraw/zinc/58/72/72/502587272.db2.gz UJBBRSABMLORMG-XAUUPUKJSA-N 1 2 364.921 3.430 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000466496694 502587274 /nfs/dbraw/zinc/58/72/74/502587274.db2.gz UJBBRSABMLORMG-XAUUPUKJSA-N 1 2 364.921 3.430 20 30 FGEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2SCC#N)C[C@@H](C)C1(F)F ZINC000599513717 506480227 /nfs/dbraw/zinc/48/02/27/506480227.db2.gz SURHAYAGOHQUIB-CHWSQXEVSA-N 1 2 353.438 3.464 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000488497383 502732635 /nfs/dbraw/zinc/73/26/35/502732635.db2.gz UHEXZKZEUSIBPM-UHFFFAOYSA-N 1 2 359.433 3.437 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)c1 ZINC000484894779 502767191 /nfs/dbraw/zinc/76/71/91/502767191.db2.gz YYZUYWDVEHRVFZ-UHFFFAOYSA-N 1 2 357.417 3.232 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3F)CC2)cc1 ZINC000477462676 502780158 /nfs/dbraw/zinc/78/01/58/502780158.db2.gz SDXUZASEXJWISZ-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO OCC[N@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000485122112 502817310 /nfs/dbraw/zinc/81/73/10/502817310.db2.gz JWRCLFMHBXLJFS-UHFFFAOYSA-N 1 2 350.281 3.357 20 30 FGEDLO OCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000485122112 502817311 /nfs/dbraw/zinc/81/73/11/502817311.db2.gz JWRCLFMHBXLJFS-UHFFFAOYSA-N 1 2 350.281 3.357 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000485121419 502817317 /nfs/dbraw/zinc/81/73/17/502817317.db2.gz JFJWFOOTDMZWCL-GOSISDBHSA-N 1 2 366.509 3.170 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000488818270 502818227 /nfs/dbraw/zinc/81/82/27/502818227.db2.gz GUCMOVIKCAPYQF-RTBURBONSA-N 1 2 373.884 3.129 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000488818270 502818230 /nfs/dbraw/zinc/81/82/30/502818230.db2.gz GUCMOVIKCAPYQF-RTBURBONSA-N 1 2 373.884 3.129 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000488968194 502849293 /nfs/dbraw/zinc/84/92/93/502849293.db2.gz POPXUIUUMAKVNJ-OAHLLOKOSA-N 1 2 359.420 3.347 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000488968194 502849298 /nfs/dbraw/zinc/84/92/98/502849298.db2.gz POPXUIUUMAKVNJ-OAHLLOKOSA-N 1 2 359.420 3.347 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000505165054 502862191 /nfs/dbraw/zinc/86/21/91/502862191.db2.gz UQDNPYOKAIXKIV-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO Cn1c(C[NH+]2CCC(Nc3ccccc3C#N)CC2)nnc1C1CCC1 ZINC000602893251 506339121 /nfs/dbraw/zinc/33/91/21/506339121.db2.gz DSYPOFLQWAIIQN-UHFFFAOYSA-N 1 2 350.470 3.031 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000501474506 503015657 /nfs/dbraw/zinc/01/56/57/503015657.db2.gz FARXLZFDVOWFSW-AWEZNQCLSA-N 1 2 351.288 3.470 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1Br ZINC000501474506 503015653 /nfs/dbraw/zinc/01/56/53/503015653.db2.gz FARXLZFDVOWFSW-AWEZNQCLSA-N 1 2 351.288 3.470 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)c1 ZINC000505955197 503019966 /nfs/dbraw/zinc/01/99/66/503019966.db2.gz UEROAJIZRUSNPP-UHFFFAOYSA-N 1 2 364.424 3.041 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)nc1 ZINC000602911009 506347561 /nfs/dbraw/zinc/34/75/61/506347561.db2.gz UWOUKCIJCRUPHE-UHFFFAOYSA-N 1 2 356.376 3.050 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NC4(C#N)CCC4)cc3)cn2c1 ZINC000501897771 503104051 /nfs/dbraw/zinc/10/40/51/503104051.db2.gz XRWRWFJKJJOVDK-UHFFFAOYSA-N 1 2 360.417 3.398 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1[N+](=O)[O-] ZINC000506662230 503152051 /nfs/dbraw/zinc/15/20/51/503152051.db2.gz QPYBPXAXIQYGDX-UHFFFAOYSA-N 1 2 365.437 3.307 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000510608550 503154656 /nfs/dbraw/zinc/15/46/56/503154656.db2.gz LYSTYMUBTLUKRP-INIZCTEOSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000510608550 503154660 /nfs/dbraw/zinc/15/46/60/503154660.db2.gz LYSTYMUBTLUKRP-INIZCTEOSA-N 1 2 352.434 3.367 20 30 FGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342040 503183236 /nfs/dbraw/zinc/18/32/36/503183236.db2.gz WMVOTJQEWGXSAE-FXAWDEMLSA-N 1 2 373.472 3.329 20 30 FGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342040 503183240 /nfs/dbraw/zinc/18/32/40/503183240.db2.gz WMVOTJQEWGXSAE-FXAWDEMLSA-N 1 2 373.472 3.329 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(COc2cccc(F)c2)c1 ZINC000514856504 503211709 /nfs/dbraw/zinc/21/17/09/503211709.db2.gz KFWQCJZEBWASSD-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(COc2cccc(F)c2)c1 ZINC000514856504 503211711 /nfs/dbraw/zinc/21/17/11/503211711.db2.gz KFWQCJZEBWASSD-LJQANCHMSA-N 1 2 357.429 3.023 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548071 503222189 /nfs/dbraw/zinc/22/21/89/503222189.db2.gz HRIYNYDHWNZVKZ-INIZCTEOSA-N 1 2 363.465 3.025 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548071 503222193 /nfs/dbraw/zinc/22/21/93/503222193.db2.gz HRIYNYDHWNZVKZ-INIZCTEOSA-N 1 2 363.465 3.025 20 30 FGEDLO CC(C)c1cccc(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507280321 503268877 /nfs/dbraw/zinc/26/88/77/503268877.db2.gz QMZRNQIOAZPDKH-UHFFFAOYSA-N 1 2 362.477 3.442 20 30 FGEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000511194047 503278545 /nfs/dbraw/zinc/27/85/45/503278545.db2.gz ZUSBLIIOLUNPQE-LJQANCHMSA-N 1 2 360.417 3.490 20 30 FGEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000511194047 503278547 /nfs/dbraw/zinc/27/85/47/503278547.db2.gz ZUSBLIIOLUNPQE-LJQANCHMSA-N 1 2 360.417 3.490 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491306780 503295673 /nfs/dbraw/zinc/29/56/73/503295673.db2.gz PRXLWTOJQRAHQW-UHFFFAOYSA-N 1 2 356.422 3.044 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491306780 503295675 /nfs/dbraw/zinc/29/56/75/503295675.db2.gz PRXLWTOJQRAHQW-UHFFFAOYSA-N 1 2 356.422 3.044 20 30 FGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000502930044 503309652 /nfs/dbraw/zinc/30/96/52/503309652.db2.gz HFCNYVASDJOCMT-NRFANRHFSA-N 1 2 351.425 3.054 20 30 FGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000502930044 503309659 /nfs/dbraw/zinc/30/96/59/503309659.db2.gz HFCNYVASDJOCMT-NRFANRHFSA-N 1 2 351.425 3.054 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Cc3nccs3)CC2)C1=O ZINC000602955962 506365650 /nfs/dbraw/zinc/36/56/50/506365650.db2.gz MULXQEIGMXQSHF-OAHLLOKOSA-N 1 2 372.519 3.136 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796442 503389454 /nfs/dbraw/zinc/38/94/54/503389454.db2.gz KZASDWMGJVPCBZ-MAUKXSAKSA-N 1 2 351.853 3.500 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796442 503389459 /nfs/dbraw/zinc/38/94/59/503389459.db2.gz KZASDWMGJVPCBZ-MAUKXSAKSA-N 1 2 351.853 3.500 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000503455346 503413686 /nfs/dbraw/zinc/41/36/86/503413686.db2.gz LRVQGLSFSDJXGU-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(Br)s2)C1=O ZINC000499618489 503444706 /nfs/dbraw/zinc/44/47/06/503444706.db2.gz JQQPWWDDIIKXDY-VXGBXAGGSA-N 1 2 355.301 3.434 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1=O ZINC000499618489 503444708 /nfs/dbraw/zinc/44/47/08/503444708.db2.gz JQQPWWDDIIKXDY-VXGBXAGGSA-N 1 2 355.301 3.434 20 30 FGEDLO C=CCOCCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508286854 503468346 /nfs/dbraw/zinc/46/83/46/503468346.db2.gz HVQHPYIMJPOGOQ-GOSISDBHSA-N 1 2 360.498 3.101 20 30 FGEDLO C=CCOCCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508286854 503468348 /nfs/dbraw/zinc/46/83/48/503468348.db2.gz HVQHPYIMJPOGOQ-GOSISDBHSA-N 1 2 360.498 3.101 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000512171030 503475185 /nfs/dbraw/zinc/47/51/85/503475185.db2.gz VQIHOWRRBCCAMN-ZDUSSCGKSA-N 1 2 363.483 3.251 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000512171030 503475190 /nfs/dbraw/zinc/47/51/90/503475190.db2.gz VQIHOWRRBCCAMN-ZDUSSCGKSA-N 1 2 363.483 3.251 20 30 FGEDLO CCCOc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000516297769 503490711 /nfs/dbraw/zinc/49/07/11/503490711.db2.gz MUOQBCSKOGDZSN-LJQANCHMSA-N 1 2 372.494 3.173 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1=O ZINC000500007452 503532707 /nfs/dbraw/zinc/53/27/07/503532707.db2.gz IADATGCGLAHQNN-GJYPPUQNSA-N 1 2 357.498 3.246 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1=O ZINC000500007452 503532713 /nfs/dbraw/zinc/53/27/13/503532713.db2.gz IADATGCGLAHQNN-GJYPPUQNSA-N 1 2 357.498 3.246 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NCC(F)(F)F)cc3)n2c1 ZINC000512395363 503536137 /nfs/dbraw/zinc/53/61/37/503536137.db2.gz TZLHMBMRSDFXIJ-UHFFFAOYSA-N 1 2 373.338 3.110 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000504246019 503543360 /nfs/dbraw/zinc/54/33/60/503543360.db2.gz IXLXWIUKYGATME-KRWDZBQOSA-N 1 2 359.426 3.092 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000504246019 503543363 /nfs/dbraw/zinc/54/33/63/503543363.db2.gz IXLXWIUKYGATME-KRWDZBQOSA-N 1 2 359.426 3.092 20 30 FGEDLO C=CCn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508740567 503555305 /nfs/dbraw/zinc/55/53/05/503555305.db2.gz QQHZFWMILSGHNA-UHFFFAOYSA-N 1 2 369.517 3.136 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512512120 503573713 /nfs/dbraw/zinc/57/37/13/503573713.db2.gz QNXXYBUABPLNBN-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512512120 503573716 /nfs/dbraw/zinc/57/37/16/503573716.db2.gz QNXXYBUABPLNBN-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000500189657 503574825 /nfs/dbraw/zinc/57/48/25/503574825.db2.gz NMIVLDXVMUCQLQ-UHFFFAOYSA-N 1 2 366.469 3.172 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc(OC)c1 ZINC000516747434 503579372 /nfs/dbraw/zinc/57/93/72/503579372.db2.gz XXGLILKLOWVWOX-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc(OC)c1 ZINC000516747434 503579377 /nfs/dbraw/zinc/57/93/77/503579377.db2.gz XXGLILKLOWVWOX-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508884947 503588429 /nfs/dbraw/zinc/58/84/29/503588429.db2.gz LCPUIQBCQAVNOE-UHFFFAOYSA-N 1 2 357.889 3.317 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000494709748 503598850 /nfs/dbraw/zinc/59/88/50/503598850.db2.gz OMGZQWNXFRYQMY-WOJBJXKFSA-N 1 2 357.498 3.118 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512842565 503643676 /nfs/dbraw/zinc/64/36/76/503643676.db2.gz AOGNDTVEVLEQCH-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000532935249 503664272 /nfs/dbraw/zinc/66/42/72/503664272.db2.gz UDKAGIKLMMQHPB-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000532935249 503664277 /nfs/dbraw/zinc/66/42/77/503664277.db2.gz UDKAGIKLMMQHPB-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)n1 ZINC000546259272 503689934 /nfs/dbraw/zinc/68/99/34/503689934.db2.gz PUBABLIZPGSBAK-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1OC ZINC000546267169 503692946 /nfs/dbraw/zinc/69/29/46/503692946.db2.gz HIIPDPSXAGSYEU-UHFFFAOYSA-N 1 2 372.509 3.483 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1OC ZINC000546267169 503692947 /nfs/dbraw/zinc/69/29/47/503692947.db2.gz HIIPDPSXAGSYEU-UHFFFAOYSA-N 1 2 372.509 3.483 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000533079239 503724322 /nfs/dbraw/zinc/72/43/22/503724322.db2.gz OGKXGKCSJIIDBH-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO C=CCNC(=O)c1cccc(-c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)c1 ZINC000546362460 503724749 /nfs/dbraw/zinc/72/47/49/503724749.db2.gz FPMCSGSGDFKBSU-UHFFFAOYSA-N 1 2 373.416 3.199 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000543543530 503807454 /nfs/dbraw/zinc/80/74/54/503807454.db2.gz UUVDUCQKSBUGGK-NSHDSACASA-N 1 2 373.482 3.260 20 30 FGEDLO N#Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1Cl ZINC000518048731 503897986 /nfs/dbraw/zinc/89/79/86/503897986.db2.gz WJCUDAYZQFYIFK-UHFFFAOYSA-N 1 2 350.809 3.024 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000530666260 504046548 /nfs/dbraw/zinc/04/65/48/504046548.db2.gz NYKHJEXOUUTPIM-UHFFFAOYSA-N 1 2 351.450 3.388 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000530666260 504046552 /nfs/dbraw/zinc/04/65/52/504046552.db2.gz NYKHJEXOUUTPIM-UHFFFAOYSA-N 1 2 351.450 3.388 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237154 504055383 /nfs/dbraw/zinc/05/53/83/504055383.db2.gz FDEXLLQTIIUMJU-UHFFFAOYSA-N 1 2 354.454 3.176 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000518998473 504114856 /nfs/dbraw/zinc/11/48/56/504114856.db2.gz LGPNJUCVMVDZFB-LLVKDONJSA-N 1 2 351.332 3.008 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000538285615 504188590 /nfs/dbraw/zinc/18/85/90/504188590.db2.gz HXQUCOAXYHQFOI-KRWDZBQOSA-N 1 2 373.497 3.030 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528513672 504255453 /nfs/dbraw/zinc/25/54/53/504255453.db2.gz DSNOXFBQDGGTDW-KRWDZBQOSA-N 1 2 372.852 3.018 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+](C[C@H](O)COc1ccccc1C#N)CC2 ZINC000528513672 504255459 /nfs/dbraw/zinc/25/54/59/504255459.db2.gz DSNOXFBQDGGTDW-KRWDZBQOSA-N 1 2 372.852 3.018 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000528518806 504257967 /nfs/dbraw/zinc/25/79/67/504257967.db2.gz SFYLMXVOCFJCMC-MRXNPFEDSA-N 1 2 360.816 3.149 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000528518806 504257975 /nfs/dbraw/zinc/25/79/75/504257975.db2.gz SFYLMXVOCFJCMC-MRXNPFEDSA-N 1 2 360.816 3.149 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000534868903 504265472 /nfs/dbraw/zinc/26/54/72/504265472.db2.gz ILWIHUBMMMKEOD-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547995146 504286590 /nfs/dbraw/zinc/28/65/90/504286590.db2.gz RQBCGENRGCPIDI-KGLIPLIRSA-N 1 2 355.467 3.414 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccc(Cl)cc1 ZINC000541963828 504317566 /nfs/dbraw/zinc/31/75/66/504317566.db2.gz BNSDTAAHMXYOAW-KRWDZBQOSA-N 1 2 371.872 3.498 20 30 FGEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000548132243 504342486 /nfs/dbraw/zinc/34/24/86/504342486.db2.gz NRWGRLNRKFPQRJ-UHFFFAOYSA-N 1 2 360.417 3.251 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000548164750 504354931 /nfs/dbraw/zinc/35/49/31/504354931.db2.gz CSLXCOJJYRXYLV-IBGZPJMESA-N 1 2 355.392 3.407 20 30 FGEDLO C=C(C)COCCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535170668 504361306 /nfs/dbraw/zinc/36/13/06/504361306.db2.gz BMNSRDNWVSLCQU-KRWDZBQOSA-N 1 2 356.470 3.111 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000538825811 504383906 /nfs/dbraw/zinc/38/39/06/504383906.db2.gz VDAHABAITWXKQX-LJQANCHMSA-N 1 2 352.413 3.342 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000538825811 504383908 /nfs/dbraw/zinc/38/39/08/504383908.db2.gz VDAHABAITWXKQX-LJQANCHMSA-N 1 2 352.413 3.342 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548426549 504441382 /nfs/dbraw/zinc/44/13/82/504441382.db2.gz MCWWGXHAUFPINM-HUUCEWRRSA-N 1 2 350.466 3.446 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3cnccc3C#N)[nH+]c12 ZINC000545344983 504453507 /nfs/dbraw/zinc/45/35/07/504453507.db2.gz PATAEVQVFKCKKO-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(CC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466089 504502197 /nfs/dbraw/zinc/50/21/97/504502197.db2.gz GJUOWPJMWJCVAL-AWEZNQCLSA-N 1 2 354.483 3.430 20 30 FGEDLO C=CC[N@H+](Cc1ncc(CC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466089 504502202 /nfs/dbraw/zinc/50/22/02/504502202.db2.gz GJUOWPJMWJCVAL-AWEZNQCLSA-N 1 2 354.483 3.430 20 30 FGEDLO N#Cc1cnc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000548884011 504604033 /nfs/dbraw/zinc/60/40/33/504604033.db2.gz BOYBLFGLCOCFIQ-CQSZACIVSA-N 1 2 369.856 3.159 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)Cc3ccc(C#N)nc3)ccc2n1C1CC1 ZINC000529299734 504626207 /nfs/dbraw/zinc/62/62/07/504626207.db2.gz BSHUHYFQXVYJLI-UHFFFAOYSA-N 1 2 359.433 3.059 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000532433906 504650416 /nfs/dbraw/zinc/65/04/16/504650416.db2.gz AJDNVMCKIVORLC-SFHVURJKSA-N 1 2 352.413 3.280 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000532433906 504650419 /nfs/dbraw/zinc/65/04/19/504650419.db2.gz AJDNVMCKIVORLC-SFHVURJKSA-N 1 2 352.413 3.280 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000532433902 504650637 /nfs/dbraw/zinc/65/06/37/504650637.db2.gz AJDNVMCKIVORLC-GOSISDBHSA-N 1 2 352.413 3.280 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000532433902 504650643 /nfs/dbraw/zinc/65/06/43/504650643.db2.gz AJDNVMCKIVORLC-GOSISDBHSA-N 1 2 352.413 3.280 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549081299 504677919 /nfs/dbraw/zinc/67/79/19/504677919.db2.gz OSOCAKBQMTVGEF-STQMWFEESA-N 1 2 369.437 3.190 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549081299 504677921 /nfs/dbraw/zinc/67/79/21/504677921.db2.gz OSOCAKBQMTVGEF-STQMWFEESA-N 1 2 369.437 3.190 20 30 FGEDLO COc1ccc2c(c1)CCC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000532536576 504686013 /nfs/dbraw/zinc/68/60/13/504686013.db2.gz ARFGQMNUFCLDBH-GOSISDBHSA-N 1 2 367.474 3.182 20 30 FGEDLO COc1ccc2c(c1)CCC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000532536576 504686017 /nfs/dbraw/zinc/68/60/17/504686017.db2.gz ARFGQMNUFCLDBH-GOSISDBHSA-N 1 2 367.474 3.182 20 30 FGEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000549263793 504776996 /nfs/dbraw/zinc/77/69/96/504776996.db2.gz NROIZSFTRGYLHE-UHFFFAOYSA-N 1 2 372.517 3.061 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1SC ZINC000562361574 504794809 /nfs/dbraw/zinc/79/48/09/504794809.db2.gz LRYPMNRHGJVDRA-UHFFFAOYSA-N 1 2 354.479 3.006 20 30 FGEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000556118715 504800105 /nfs/dbraw/zinc/80/01/05/504800105.db2.gz IMMJKYLCHZKLCL-AFMYVXGZSA-N 1 2 374.448 3.141 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000562453925 504825867 /nfs/dbraw/zinc/82/58/67/504825867.db2.gz OAMDLNARBFLEAD-MRXNPFEDSA-N 1 2 374.448 3.094 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccn2cc[nH+]c2c1 ZINC000553149181 504838478 /nfs/dbraw/zinc/83/84/78/504838478.db2.gz ZJDQQCBVIRAROV-UHFFFAOYSA-N 1 2 353.307 3.205 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000562609948 504878067 /nfs/dbraw/zinc/87/80/67/504878067.db2.gz JSCXODWSZARFSI-RDTXWAMCSA-N 1 2 365.437 3.014 20 30 FGEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000556621433 504924091 /nfs/dbraw/zinc/92/40/91/504924091.db2.gz GMHKZNWKSMHHKX-UHFFFAOYSA-N 1 2 351.494 3.291 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1C ZINC000559997513 504966889 /nfs/dbraw/zinc/96/68/89/504966889.db2.gz YAZMBDHAWKRCOA-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1C ZINC000559997513 504966891 /nfs/dbraw/zinc/96/68/91/504966891.db2.gz YAZMBDHAWKRCOA-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c(C)c1 ZINC000553708964 504988482 /nfs/dbraw/zinc/98/84/82/504988482.db2.gz UAARMFVDWVYDJW-SFHVURJKSA-N 1 2 357.498 3.155 20 30 FGEDLO C[C@@H](Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1)c1ccccc1 ZINC000563220007 505079576 /nfs/dbraw/zinc/07/95/76/505079576.db2.gz DEMPTYGEPIHXGC-IIBYNOLFSA-N 1 2 351.450 3.400 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000554085324 505084435 /nfs/dbraw/zinc/08/44/35/505084435.db2.gz HLYXQQRISJYIBU-UHFFFAOYSA-N 1 2 373.412 3.471 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000550766555 505096867 /nfs/dbraw/zinc/09/68/67/505096867.db2.gz UQMQUULBVPCULI-INIZCTEOSA-N 1 2 367.218 3.162 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1F ZINC000551020432 505143735 /nfs/dbraw/zinc/14/37/35/505143735.db2.gz KHGSYPCAYOOBFE-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccccc1F ZINC000551020432 505143741 /nfs/dbraw/zinc/14/37/41/505143741.db2.gz KHGSYPCAYOOBFE-AWEZNQCLSA-N 1 2 362.474 3.083 20 30 FGEDLO Cc1ccc(CNC(=O)c2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)cc1 ZINC000554487770 505185244 /nfs/dbraw/zinc/18/52/44/505185244.db2.gz KGQYVICHVCZYBG-FQEVSTJZSA-N 1 2 360.461 3.458 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000560975406 505220702 /nfs/dbraw/zinc/22/07/02/505220702.db2.gz YGUIHLFGKNKMBK-MSOLQXFVSA-N 1 2 357.498 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000560975406 505220705 /nfs/dbraw/zinc/22/07/05/505220705.db2.gz YGUIHLFGKNKMBK-MSOLQXFVSA-N 1 2 357.498 3.438 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(N2CCCC2)nc1 ZINC000564377900 505400102 /nfs/dbraw/zinc/40/01/02/505400102.db2.gz JUXMOHYPZWYIPX-UHFFFAOYSA-N 1 2 354.502 3.433 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(N2CCCC2)nc1 ZINC000564377900 505400108 /nfs/dbraw/zinc/40/01/08/505400108.db2.gz JUXMOHYPZWYIPX-UHFFFAOYSA-N 1 2 354.502 3.433 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000552229967 505435276 /nfs/dbraw/zinc/43/52/76/505435276.db2.gz FLLXSDKUZRPVMU-UHFFFAOYSA-N 1 2 366.440 3.027 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000552270750 505446647 /nfs/dbraw/zinc/44/66/47/505446647.db2.gz BEBKOLZILSFKDF-ZWKOTPCHSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000552270750 505446653 /nfs/dbraw/zinc/44/66/53/505446653.db2.gz BEBKOLZILSFKDF-ZWKOTPCHSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555550443 505454821 /nfs/dbraw/zinc/45/48/21/505454821.db2.gz TVJXGGQHBBQWAN-ICSRJNTNSA-N 1 2 360.498 3.099 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000555550443 505454825 /nfs/dbraw/zinc/45/48/25/505454825.db2.gz TVJXGGQHBBQWAN-ICSRJNTNSA-N 1 2 360.498 3.099 20 30 FGEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794479 505516461 /nfs/dbraw/zinc/51/64/61/505516461.db2.gz XTQWDCBCOMXDGR-BBRMVZONSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794479 505516462 /nfs/dbraw/zinc/51/64/62/505516462.db2.gz XTQWDCBCOMXDGR-BBRMVZONSA-N 1 2 361.511 3.182 20 30 FGEDLO C=CCC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCOCC1 ZINC000567662103 505528293 /nfs/dbraw/zinc/52/82/93/505528293.db2.gz DPDLADFAFOWJNW-UHFFFAOYSA-N 1 2 369.465 3.193 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)OCC23CCC3)c1C ZINC000593094234 506389269 /nfs/dbraw/zinc/38/92/69/506389269.db2.gz YEZCLXVDAYWXBM-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)OCC23CCC3)c1C ZINC000593094234 506389278 /nfs/dbraw/zinc/38/92/78/506389278.db2.gz YEZCLXVDAYWXBM-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000593120632 506406712 /nfs/dbraw/zinc/40/67/12/506406712.db2.gz DHCILKJAKKJECV-MRXNPFEDSA-N 1 2 362.351 3.333 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000593120632 506406716 /nfs/dbraw/zinc/40/67/16/506406716.db2.gz DHCILKJAKKJECV-MRXNPFEDSA-N 1 2 362.351 3.333 20 30 FGEDLO Cc1c(Cl)cnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000612066265 506417305 /nfs/dbraw/zinc/41/73/05/506417305.db2.gz VJATWJPMBYEATC-UHFFFAOYSA-N 1 2 351.841 3.109 20 30 FGEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000599370476 506431159 /nfs/dbraw/zinc/43/11/59/506431159.db2.gz INRPTEZZOGOKHO-WMLDXEAASA-N 1 2 370.453 3.079 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195962 506478651 /nfs/dbraw/zinc/47/86/51/506478651.db2.gz QEFUTLDRQQNVNG-ROUUACIJSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195962 506478658 /nfs/dbraw/zinc/47/86/58/506478658.db2.gz QEFUTLDRQQNVNG-ROUUACIJSA-N 1 2 355.825 3.092 20 30 FGEDLO COCCOCc1cc(C#N)ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000603311293 506482470 /nfs/dbraw/zinc/48/24/70/506482470.db2.gz LQFZCWXCCANOMG-UZLBHIALSA-N 1 2 354.454 3.005 20 30 FGEDLO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000612489834 506597586 /nfs/dbraw/zinc/59/75/86/506597586.db2.gz HRMSLCXISMLVTE-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000583125316 506602317 /nfs/dbraw/zinc/60/23/17/506602317.db2.gz FZPJTCCDVYRPMV-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000583125316 506602322 /nfs/dbraw/zinc/60/23/22/506602322.db2.gz FZPJTCCDVYRPMV-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000593458994 506630716 /nfs/dbraw/zinc/63/07/16/506630716.db2.gz VZFMXNAZOBNVAL-OAHLLOKOSA-N 1 2 363.248 3.450 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000593465835 506636063 /nfs/dbraw/zinc/63/60/63/506636063.db2.gz VEIMGLLLQFEQLP-QGZVFWFLSA-N 1 2 351.454 3.039 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC1(C#N)CCCCC1 ZINC000596866128 506644876 /nfs/dbraw/zinc/64/48/76/506644876.db2.gz JTTQRJPTFHMLRZ-UHFFFAOYSA-N 1 2 357.380 3.061 20 30 FGEDLO COc1cc(NC(=O)NCCCCNc2cccc[nH+]2)c(F)cc1C#N ZINC000599816365 506653681 /nfs/dbraw/zinc/65/36/81/506653681.db2.gz FZAMDLAOBQAYSN-UHFFFAOYSA-N 1 2 357.389 3.115 20 30 FGEDLO COc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000599857853 506683330 /nfs/dbraw/zinc/68/33/30/506683330.db2.gz TUJAHHCYYNFAIL-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)cc1 ZINC000608885357 506736859 /nfs/dbraw/zinc/73/68/59/506736859.db2.gz YBWJVCANSTXXPZ-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1C#N ZINC000590120614 506741703 /nfs/dbraw/zinc/74/17/03/506741703.db2.gz HBJXWNXSCYMRMR-FQEVSTJZSA-N 1 2 360.461 3.088 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1C#N ZINC000590120614 506741711 /nfs/dbraw/zinc/74/17/11/506741711.db2.gz HBJXWNXSCYMRMR-FQEVSTJZSA-N 1 2 360.461 3.088 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1 ZINC000590363772 506804179 /nfs/dbraw/zinc/80/41/79/506804179.db2.gz QKQHHPVPLXTCAH-LJQANCHMSA-N 1 2 368.868 3.064 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000597157621 506804808 /nfs/dbraw/zinc/80/48/08/506804808.db2.gz PLZURAYBSACVGV-NZSAHSFTSA-N 1 2 356.466 3.078 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccccc1 ZINC000597192058 506825485 /nfs/dbraw/zinc/82/54/85/506825485.db2.gz IEUBABCIBKBPFV-IBGZPJMESA-N 1 2 362.433 3.379 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057719 506912675 /nfs/dbraw/zinc/91/26/75/506912675.db2.gz LWTDJQCVIJIVEJ-VQIMIIECSA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCCCC2)O1 ZINC000594057719 506912678 /nfs/dbraw/zinc/91/26/78/506912678.db2.gz LWTDJQCVIJIVEJ-VQIMIIECSA-N 1 2 353.466 3.087 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000609660045 506965177 /nfs/dbraw/zinc/96/51/77/506965177.db2.gz BIQCMGCQKZZXJJ-INIZCTEOSA-N 1 2 360.417 3.152 20 30 FGEDLO COC(=O)c1ccc(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(C#N)n1 ZINC000583823166 506995468 /nfs/dbraw/zinc/99/54/68/506995468.db2.gz MJWFRWUPDIDQSV-UHFFFAOYSA-N 1 2 361.405 3.116 20 30 FGEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000609840310 507020604 /nfs/dbraw/zinc/02/06/04/507020604.db2.gz GFWTVTCCTPDCDS-AWEZNQCLSA-N 1 2 357.454 3.358 20 30 FGEDLO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000609916160 507048286 /nfs/dbraw/zinc/04/82/86/507048286.db2.gz DRUADOMJTCQKAX-INIZCTEOSA-N 1 2 368.506 3.155 20 30 FGEDLO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000609916160 507048291 /nfs/dbraw/zinc/04/82/91/507048291.db2.gz DRUADOMJTCQKAX-INIZCTEOSA-N 1 2 368.506 3.155 20 30 FGEDLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000590955353 507059068 /nfs/dbraw/zinc/05/90/68/507059068.db2.gz OGDXIWVRJCDNIO-GOSISDBHSA-N 1 2 367.405 3.497 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1C#N ZINC000590959068 507060569 /nfs/dbraw/zinc/06/05/69/507060569.db2.gz AVCSMAWZSQRNGR-QAPCUYQASA-N 1 2 353.470 3.312 20 30 FGEDLO CS[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000610059393 507085443 /nfs/dbraw/zinc/08/54/43/507085443.db2.gz YNVPUXFIPZVBMD-FQEVSTJZSA-N 1 2 365.502 3.307 20 30 FGEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1csnn1 ZINC000591053390 507093373 /nfs/dbraw/zinc/09/33/73/507093373.db2.gz LMWQSUAVNVSSSN-SNVBAGLBSA-N 1 2 361.496 3.029 20 30 FGEDLO N#CCc1cccc2c1CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000600788209 507121413 /nfs/dbraw/zinc/12/14/13/507121413.db2.gz KVTNCTZYTBQSRC-UHFFFAOYSA-N 1 2 370.456 3.125 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ccncc4s3)CC2)cc1 ZINC000584272222 507247941 /nfs/dbraw/zinc/24/79/41/507247941.db2.gz HPOAOPWAXAUZOZ-UHFFFAOYSA-N 1 2 362.458 3.126 20 30 FGEDLO Cc1cc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000610557069 507290323 /nfs/dbraw/zinc/29/03/23/507290323.db2.gz BWUCXIQHUYAUJI-UHFFFAOYSA-N 1 2 364.877 3.037 20 30 FGEDLO N#CC1(c2ccc(CNc3ccc[nH+]c3N3CCC(CO)CC3)cc2)CC1 ZINC000594936571 507321171 /nfs/dbraw/zinc/32/11/71/507321171.db2.gz MYDCNODZPXFAPF-UHFFFAOYSA-N 1 2 362.477 3.458 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000591849958 507390377 /nfs/dbraw/zinc/39/03/77/507390377.db2.gz BEMRWYMGUYAQMQ-INIZCTEOSA-N 1 2 361.449 3.460 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176836 507396517 /nfs/dbraw/zinc/39/65/17/507396517.db2.gz NTLWBVHFTMWTAU-IBGZPJMESA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176836 507396526 /nfs/dbraw/zinc/39/65/26/507396526.db2.gz NTLWBVHFTMWTAU-IBGZPJMESA-N 1 2 352.482 3.412 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000595311666 507458057 /nfs/dbraw/zinc/45/80/57/507458057.db2.gz FFHGMOWCDDLXFA-PMACEKPBSA-N 1 2 355.869 3.256 20 30 FGEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000592081760 507475705 /nfs/dbraw/zinc/47/57/05/507475705.db2.gz CNLLJTJYWUQHKB-UHFFFAOYSA-N 1 2 374.488 3.356 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCSCC1 ZINC000611011889 507482182 /nfs/dbraw/zinc/48/21/82/507482182.db2.gz BDWDZFKLWXRLRG-AWEZNQCLSA-N 1 2 368.462 3.121 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000592136783 507500884 /nfs/dbraw/zinc/50/08/84/507500884.db2.gz WJRFRNLKQNBENC-OAHLLOKOSA-N 1 2 353.285 3.029 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(Br)c1 ZINC000592136783 507500892 /nfs/dbraw/zinc/50/08/92/507500892.db2.gz WJRFRNLKQNBENC-OAHLLOKOSA-N 1 2 353.285 3.029 20 30 FGEDLO N#CCCN1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000611174038 507546354 /nfs/dbraw/zinc/54/63/54/507546354.db2.gz CKQUQDGHJUQIDF-UHFFFAOYSA-N 1 2 359.271 3.029 20 30 FGEDLO CCOc1cncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000598675611 507546884 /nfs/dbraw/zinc/54/68/84/507546884.db2.gz JNLHCYUEEIICPB-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180610 507550559 /nfs/dbraw/zinc/55/05/59/507550559.db2.gz ZWRWTZKPVJIKJD-CHWSQXEVSA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180610 507550565 /nfs/dbraw/zinc/55/05/65/507550565.db2.gz ZWRWTZKPVJIKJD-CHWSQXEVSA-N 1 2 353.438 3.464 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571360 507567289 /nfs/dbraw/zinc/56/72/89/507567289.db2.gz ZHGLUOIOSCKUSR-XYJFISCASA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571360 507567297 /nfs/dbraw/zinc/56/72/97/507567297.db2.gz ZHGLUOIOSCKUSR-XYJFISCASA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000595577519 507572326 /nfs/dbraw/zinc/57/23/26/507572326.db2.gz PLTIEGPKQNPJSH-JEBQAFNWSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000595577519 507572334 /nfs/dbraw/zinc/57/23/34/507572334.db2.gz PLTIEGPKQNPJSH-JEBQAFNWSA-N 1 2 362.424 3.045 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000611271038 507594944 /nfs/dbraw/zinc/59/49/44/507594944.db2.gz GVILQZDLBYURJP-SFHVURJKSA-N 1 2 361.898 3.124 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595633134 507603475 /nfs/dbraw/zinc/60/34/75/507603475.db2.gz NSAQWPJMTGSILK-HNNXBMFYSA-N 1 2 354.479 3.077 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cnn1-c1cccc(C#N)c1 ZINC000602139707 507604181 /nfs/dbraw/zinc/60/41/81/507604181.db2.gz HRILMSZMJMBWPW-HZPDHXFCSA-N 1 2 360.421 3.162 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000602139707 507604185 /nfs/dbraw/zinc/60/41/85/507604185.db2.gz HRILMSZMJMBWPW-HZPDHXFCSA-N 1 2 360.421 3.162 20 30 FGEDLO CCOC(=O)CC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346057 507631549 /nfs/dbraw/zinc/63/15/49/507631549.db2.gz KXTOTCDDRQMCEW-UHFFFAOYSA-N 1 2 366.465 3.218 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)c1C#N ZINC000611376726 507648279 /nfs/dbraw/zinc/64/82/79/507648279.db2.gz QWJBYMFQZPGSPB-ZDUSSCGKSA-N 1 2 354.406 3.213 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000602333686 507673179 /nfs/dbraw/zinc/67/31/79/507673179.db2.gz OLUIVCCMRKNJJU-INIZCTEOSA-N 1 2 367.236 3.222 20 30 FGEDLO Cc1cc(C#N)cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000587084092 507705628 /nfs/dbraw/zinc/70/56/28/507705628.db2.gz GYBRKRPROXSCGS-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO NC(Cc1cccnc1)=[NH+]OCc1csc(CCc2ccccc2)n1 ZINC000092916277 700443949 /nfs/dbraw/zinc/44/39/49/700443949.db2.gz GOEZSGVHUUFYPF-UHFFFAOYSA-N 1 2 352.463 3.355 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125580410 700737275 /nfs/dbraw/zinc/73/72/75/700737275.db2.gz AOQRYUGSNKKQAP-LSDHHAIUSA-N 1 2 352.910 3.329 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125580410 700737277 /nfs/dbraw/zinc/73/72/77/700737277.db2.gz AOQRYUGSNKKQAP-LSDHHAIUSA-N 1 2 352.910 3.329 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(SC(F)(F)F)cc1 ZINC000154745061 705047391 /nfs/dbraw/zinc/04/73/91/705047391.db2.gz OQNRIGLWTSIDDY-UHFFFAOYSA-N 1 2 373.444 3.346 20 30 FGEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000162461994 705296470 /nfs/dbraw/zinc/29/64/70/705296470.db2.gz KSFPRYCQFWTFDQ-CQSZACIVSA-N 1 2 361.467 3.363 20 30 FGEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000162461994 705296474 /nfs/dbraw/zinc/29/64/74/705296474.db2.gz KSFPRYCQFWTFDQ-CQSZACIVSA-N 1 2 361.467 3.363 20 30 FGEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176093870 705571030 /nfs/dbraw/zinc/57/10/30/705571030.db2.gz WEDQLFHRCJGMCW-AWEZNQCLSA-N 1 2 362.474 3.332 20 30 FGEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176093870 705571032 /nfs/dbraw/zinc/57/10/32/705571032.db2.gz WEDQLFHRCJGMCW-AWEZNQCLSA-N 1 2 362.474 3.332 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)ccc2[nH+]1 ZINC000329134426 713827719 /nfs/dbraw/zinc/82/77/19/713827719.db2.gz BSCNUDQQZPBYMS-HNNXBMFYSA-N 1 2 358.467 3.322 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@H](C)O1 ZINC000329403982 713829418 /nfs/dbraw/zinc/82/94/18/713829418.db2.gz ZWPOPMYPKAAMAW-OFQRWUPVSA-N 1 2 366.531 3.420 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@H](C)O1 ZINC000329403982 713829419 /nfs/dbraw/zinc/82/94/19/713829419.db2.gz ZWPOPMYPKAAMAW-OFQRWUPVSA-N 1 2 366.531 3.420 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)c3ccccc3C2)cc1Cl ZINC000374820192 713945902 /nfs/dbraw/zinc/94/59/02/713945902.db2.gz PPOXQEWHARWFTK-GOSISDBHSA-N 1 2 355.825 3.089 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1Cl ZINC000374820192 713945904 /nfs/dbraw/zinc/94/59/04/713945904.db2.gz PPOXQEWHARWFTK-GOSISDBHSA-N 1 2 355.825 3.089 20 30 FGEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)C)CC1 ZINC000802672247 724400135 /nfs/dbraw/zinc/40/01/35/724400135.db2.gz NDXKSRDVRHAZLD-UHFFFAOYSA-N 1 2 357.889 3.010 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3occc3Br)C2=O)cc1 ZINC000780003692 724440445 /nfs/dbraw/zinc/44/04/45/724440445.db2.gz VPZDHUYFHXVPNG-HNNXBMFYSA-N 1 2 374.238 3.199 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500931 724472424 /nfs/dbraw/zinc/47/24/24/724472424.db2.gz ZNBPMDKVKQLOBS-HNNXBMFYSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780500931 724472436 /nfs/dbraw/zinc/47/24/36/724472436.db2.gz ZNBPMDKVKQLOBS-HNNXBMFYSA-N 1 2 358.515 3.383 20 30 FGEDLO C#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270296 724501620 /nfs/dbraw/zinc/50/16/20/724501620.db2.gz ROJIZJSUXKHWNA-UHFFFAOYSA-N 1 2 364.243 3.071 20 30 FGEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)nn1 ZINC000657396569 719640384 /nfs/dbraw/zinc/64/03/84/719640384.db2.gz MSEUSVDFYOQGHF-UHFFFAOYSA-N 1 2 354.376 3.394 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782209440 724638705 /nfs/dbraw/zinc/63/87/05/724638705.db2.gz FZXGNFONHDHZEZ-ZBFHGGJFSA-N 1 2 357.445 3.279 20 30 FGEDLO C=C(C)CNC(=S)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782209440 724638707 /nfs/dbraw/zinc/63/87/07/724638707.db2.gz FZXGNFONHDHZEZ-ZBFHGGJFSA-N 1 2 357.445 3.279 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H](C)COC ZINC000664319162 720624239 /nfs/dbraw/zinc/62/42/39/720624239.db2.gz FODRPHPJXYDCQS-HUUCEWRRSA-N 1 2 366.531 3.430 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H](C)COC ZINC000664319162 720624241 /nfs/dbraw/zinc/62/42/41/720624241.db2.gz FODRPHPJXYDCQS-HUUCEWRRSA-N 1 2 366.531 3.430 20 30 FGEDLO NC(=[NH+]OCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(F)cc1 ZINC000782945376 724710653 /nfs/dbraw/zinc/71/06/53/724710653.db2.gz PYDSCADLVHUORS-UHFFFAOYSA-N 1 2 363.755 3.036 20 30 FGEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679499052 722030780 /nfs/dbraw/zinc/03/07/80/722030780.db2.gz WQVSBYGFGSYGJB-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679499052 722030783 /nfs/dbraw/zinc/03/07/83/722030783.db2.gz WQVSBYGFGSYGJB-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000684120582 722322922 /nfs/dbraw/zinc/32/29/22/722322922.db2.gz KCASCMHTOHWFDH-UHFFFAOYSA-N 1 2 355.404 3.499 20 30 FGEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000740872096 722538821 /nfs/dbraw/zinc/53/88/21/722538821.db2.gz CEOFNYUEAANFSZ-UHFFFAOYSA-N 1 2 359.813 3.340 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC1 ZINC000744371380 722576269 /nfs/dbraw/zinc/57/62/69/722576269.db2.gz WTTKMKATQFFQTN-UHFFFAOYSA-N 1 2 351.475 3.174 20 30 FGEDLO C#CC[N@@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000764677889 723436526 /nfs/dbraw/zinc/43/65/26/723436526.db2.gz WMWNPYVFNCOBIL-UHFFFAOYSA-N 1 2 358.316 3.142 20 30 FGEDLO C#CC[N@H+](Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000764677889 723436528 /nfs/dbraw/zinc/43/65/28/723436528.db2.gz WMWNPYVFNCOBIL-UHFFFAOYSA-N 1 2 358.316 3.142 20 30 FGEDLO C#CCN(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000764676205 723436642 /nfs/dbraw/zinc/43/66/42/723436642.db2.gz GQSKUZIKUFGQJA-QGZVFWFLSA-N 1 2 363.864 3.423 20 30 FGEDLO FC(F)(F)CN[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000769809375 723696461 /nfs/dbraw/zinc/69/64/61/723696461.db2.gz BOIDXWBNBXMIDT-UHFFFAOYSA-N 1 2 370.400 3.133 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000800590258 724217353 /nfs/dbraw/zinc/21/73/53/724217353.db2.gz SHBAPTUHAPXDSX-ZDUSSCGKSA-N 1 2 360.763 3.317 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000800590258 724217356 /nfs/dbraw/zinc/21/73/56/724217356.db2.gz SHBAPTUHAPXDSX-ZDUSSCGKSA-N 1 2 360.763 3.317 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156892 725154828 /nfs/dbraw/zinc/15/48/28/725154828.db2.gz NLGNVYHYORPDBW-MSOLQXFVSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156892 725154829 /nfs/dbraw/zinc/15/48/29/725154829.db2.gz NLGNVYHYORPDBW-MSOLQXFVSA-N 1 2 357.816 3.031 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809698767 725260198 /nfs/dbraw/zinc/26/01/98/725260198.db2.gz IEDKFIXIOGHRDH-GOSISDBHSA-N 1 2 361.800 3.495 20 30 FGEDLO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000812777240 726809376 /nfs/dbraw/zinc/80/93/76/726809376.db2.gz ZVDMFZWFARZRKN-LJQANCHMSA-N 1 2 357.479 3.359 20 30 FGEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000815010756 727019110 /nfs/dbraw/zinc/01/91/10/727019110.db2.gz YKBLAGFSYXRNCN-HZPDHXFCSA-N 1 2 353.388 3.395 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000825560091 729387881 /nfs/dbraw/zinc/38/78/81/729387881.db2.gz HNHBZMMRXOWTRU-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO CO[C@@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000841614559 730260041 /nfs/dbraw/zinc/26/00/41/730260041.db2.gz PCQDMNLXHQMEIS-HIFRSBDPSA-N 1 2 366.874 3.109 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000859607105 732359907 /nfs/dbraw/zinc/35/99/07/732359907.db2.gz UKQABWTUJXOBGR-OLZOCXBDSA-N 1 2 361.408 3.315 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000859607105 732359912 /nfs/dbraw/zinc/35/99/12/732359912.db2.gz UKQABWTUJXOBGR-OLZOCXBDSA-N 1 2 361.408 3.315 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2sccc2CC#N)c1)[NH+]1CCOCC1 ZINC000865174013 733151515 /nfs/dbraw/zinc/15/15/15/733151515.db2.gz MQEWOKANFVJYIT-AWEZNQCLSA-N 1 2 355.463 3.460 20 30 FGEDLO N#CCc1ccsc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000867934271 733534566 /nfs/dbraw/zinc/53/45/66/733534566.db2.gz FJYCNEYWQHFDHY-UHFFFAOYSA-N 1 2 354.479 3.367 20 30 FGEDLO Cc1ccnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000877546279 736681913 /nfs/dbraw/zinc/68/19/13/736681913.db2.gz PUKXYVOMFLBHQI-AWEZNQCLSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1ccnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000877546279 736681916 /nfs/dbraw/zinc/68/19/16/736681916.db2.gz PUKXYVOMFLBHQI-AWEZNQCLSA-N 1 2 373.254 3.073 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000886771809 739295976 /nfs/dbraw/zinc/29/59/76/739295976.db2.gz NRJSELRTKZFAGT-UHFFFAOYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C#N)ccn1 ZINC000902978923 743795474 /nfs/dbraw/zinc/79/54/74/743795474.db2.gz LVYJDBFWMDCBLC-ABAIWWIYSA-N 1 2 351.328 3.236 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000917028253 758169009 /nfs/dbraw/zinc/16/90/09/758169009.db2.gz OMIPQMMGDRCTLE-RKVPGOIHSA-N 1 2 355.511 3.495 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3csc(C#N)c3)CCCC2)no1 ZINC000921747274 758784322 /nfs/dbraw/zinc/78/43/22/758784322.db2.gz TVRPEHLXEACGQN-UHFFFAOYSA-N 1 2 359.499 3.404 20 30 FGEDLO CC[C@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1cccc(C#N)c1O ZINC000926494801 759760837 /nfs/dbraw/zinc/76/08/37/759760837.db2.gz KDUNUCJAKXBXMW-INIZCTEOSA-N 1 2 355.829 3.243 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000982173203 763574587 /nfs/dbraw/zinc/57/45/87/763574587.db2.gz HJGSABCXXIUQOT-YOEHRIQHSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000982173203 763574592 /nfs/dbraw/zinc/57/45/92/763574592.db2.gz HJGSABCXXIUQOT-YOEHRIQHSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001005405830 765469033 /nfs/dbraw/zinc/46/90/33/765469033.db2.gz HSYQJZUUZKVKAS-DARDTNQBSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001008557507 765674625 /nfs/dbraw/zinc/67/46/25/765674625.db2.gz DJMGPEOCKWMIPO-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001008557507 765674626 /nfs/dbraw/zinc/67/46/26/765674626.db2.gz DJMGPEOCKWMIPO-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015829014 765811576 /nfs/dbraw/zinc/81/15/76/765811576.db2.gz NNTAQBPZCCNJJO-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001015829014 765811580 /nfs/dbraw/zinc/81/15/80/765811580.db2.gz NNTAQBPZCCNJJO-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001033267191 766210510 /nfs/dbraw/zinc/21/05/10/766210510.db2.gz AXOPDQXLKDOKED-OTWHNJEPSA-N 1 2 362.901 3.062 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001033267191 766210516 /nfs/dbraw/zinc/21/05/16/766210516.db2.gz AXOPDQXLKDOKED-OTWHNJEPSA-N 1 2 362.901 3.062 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001033432001 766214714 /nfs/dbraw/zinc/21/47/14/766214714.db2.gz JIXRKQQJDMNUST-UXLLHSPISA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001033432001 766214721 /nfs/dbraw/zinc/21/47/21/766214721.db2.gz JIXRKQQJDMNUST-UXLLHSPISA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001033670035 766222048 /nfs/dbraw/zinc/22/20/48/766222048.db2.gz SZNGUOGDVAOKKX-AEGPPILISA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001033670035 766222052 /nfs/dbraw/zinc/22/20/52/766222052.db2.gz SZNGUOGDVAOKKX-AEGPPILISA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034436572 766242458 /nfs/dbraw/zinc/24/24/58/766242458.db2.gz SDTZNTSQJLKFHL-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034436572 766242461 /nfs/dbraw/zinc/24/24/61/766242461.db2.gz SDTZNTSQJLKFHL-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001039407154 766295608 /nfs/dbraw/zinc/29/56/08/766295608.db2.gz AWXBKTCSPNHDPY-PNBKFKSVSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001039407154 766295611 /nfs/dbraw/zinc/29/56/11/766295611.db2.gz AWXBKTCSPNHDPY-PNBKFKSVSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046419586 766589460 /nfs/dbraw/zinc/58/94/60/766589460.db2.gz XHLPGWGCZJQDTH-LZWOXQAQSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046419586 766589463 /nfs/dbraw/zinc/58/94/63/766589463.db2.gz XHLPGWGCZJQDTH-LZWOXQAQSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046974745 766612497 /nfs/dbraw/zinc/61/24/97/766612497.db2.gz GSEKFYFTDATTTK-HRCADAONSA-N 1 2 369.843 3.011 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046974745 766612499 /nfs/dbraw/zinc/61/24/99/766612499.db2.gz GSEKFYFTDATTTK-HRCADAONSA-N 1 2 369.843 3.011 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777766 766809460 /nfs/dbraw/zinc/80/94/60/766809460.db2.gz RWCYZZZLCQZKQK-FZKCQIBNSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777766 766809470 /nfs/dbraw/zinc/80/94/70/766809470.db2.gz RWCYZZZLCQZKQK-FZKCQIBNSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001055620131 767302370 /nfs/dbraw/zinc/30/23/70/767302370.db2.gz BJMPIEBSYBTBOS-XJKCOSOUSA-N 1 2 356.392 3.189 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000131985281 494793632 /nfs/dbraw/zinc/79/36/32/494793632.db2.gz WTKNEYNSCVCBOE-MFKMUULPSA-N 1 2 358.294 3.112 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c([N+](=O)[O-])c1 ZINC000567988742 505591184 /nfs/dbraw/zinc/59/11/84/505591184.db2.gz NOXXNLHLYGRSOZ-UHFFFAOYSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000573709114 505601594 /nfs/dbraw/zinc/60/15/94/505601594.db2.gz NFADWKPYYIQDNQ-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000579718715 505608172 /nfs/dbraw/zinc/60/81/72/505608172.db2.gz WXEPARYVOXFOCH-QHCPKHFHSA-N 1 2 363.505 3.438 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000570932867 505615329 /nfs/dbraw/zinc/61/53/29/505615329.db2.gz OJHMOXXLOHPDCJ-QFIPXVFZSA-N 1 2 362.477 3.345 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000573992001 505668520 /nfs/dbraw/zinc/66/85/20/505668520.db2.gz SCCBTQMPGOHQPA-UHFFFAOYSA-N 1 2 365.437 3.307 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000048125155 493788659 /nfs/dbraw/zinc/78/86/59/493788659.db2.gz AQMXHAYWZNWLHN-UHFFFAOYSA-N 1 2 370.865 3.409 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C ZINC000080925094 493791713 /nfs/dbraw/zinc/79/17/13/493791713.db2.gz JZBOENXKRZFFAE-UHFFFAOYSA-N 1 2 351.450 3.388 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(O)c2)c1C ZINC000080925094 493791716 /nfs/dbraw/zinc/79/17/16/493791716.db2.gz JZBOENXKRZFFAE-UHFFFAOYSA-N 1 2 351.450 3.388 20 30 FGEDLO C[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000048160134 493794869 /nfs/dbraw/zinc/79/48/69/493794869.db2.gz XKWNYYCWQPLALZ-HXUWFJFHSA-N 1 2 365.502 3.307 20 30 FGEDLO C[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000048160134 493794871 /nfs/dbraw/zinc/79/48/71/493794871.db2.gz XKWNYYCWQPLALZ-HXUWFJFHSA-N 1 2 365.502 3.307 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1F ZINC000048255627 493808545 /nfs/dbraw/zinc/80/85/45/493808545.db2.gz WBJNNHGZUSNLGM-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029538653 493844028 /nfs/dbraw/zinc/84/40/28/493844028.db2.gz BTPCDYHZTLAREI-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029538653 493844030 /nfs/dbraw/zinc/84/40/30/493844030.db2.gz BTPCDYHZTLAREI-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029658623 493850538 /nfs/dbraw/zinc/85/05/38/493850538.db2.gz GQDFOVFYPIXMQP-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029658623 493850543 /nfs/dbraw/zinc/85/05/43/493850543.db2.gz GQDFOVFYPIXMQP-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(OCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000048935250 493852326 /nfs/dbraw/zinc/85/23/26/493852326.db2.gz HUEVKCPMPBUPQN-UHFFFAOYSA-N 1 2 364.449 3.029 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000029714310 493854237 /nfs/dbraw/zinc/85/42/37/493854237.db2.gz AATCQGJKXQYMPU-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858461 493862505 /nfs/dbraw/zinc/86/25/05/493862505.db2.gz AMQCCQSNWLLYRY-AWEZNQCLSA-N 1 2 354.385 3.489 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512325 493906182 /nfs/dbraw/zinc/90/61/82/493906182.db2.gz QRIQSZPZEOHGFC-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512325 493906186 /nfs/dbraw/zinc/90/61/86/493906186.db2.gz QRIQSZPZEOHGFC-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063299979 494042607 /nfs/dbraw/zinc/04/26/07/494042607.db2.gz FQOXLGZXYQMIQS-GHTZIAJQSA-N 1 2 369.509 3.258 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063299979 494042609 /nfs/dbraw/zinc/04/26/09/494042609.db2.gz FQOXLGZXYQMIQS-GHTZIAJQSA-N 1 2 369.509 3.258 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000063400509 494050874 /nfs/dbraw/zinc/05/08/74/494050874.db2.gz OMSQJPVGQZGRHG-UHFFFAOYSA-N 1 2 365.393 3.140 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000063403113 494051438 /nfs/dbraw/zinc/05/14/38/494051438.db2.gz RSYHPMSCPZPIHT-UHFFFAOYSA-N 1 2 359.433 3.412 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccon2)Cc2cccc(F)c2)cc1 ZINC000052798051 494062176 /nfs/dbraw/zinc/06/21/76/494062176.db2.gz NWCCLDFUHWYHEB-UHFFFAOYSA-N 1 2 364.380 3.326 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccon2)Cc2cccc(F)c2)cc1 ZINC000052798051 494062178 /nfs/dbraw/zinc/06/21/78/494062178.db2.gz NWCCLDFUHWYHEB-UHFFFAOYSA-N 1 2 364.380 3.326 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cc(F)ccc3F)CC2)cc1 ZINC000052960517 494079535 /nfs/dbraw/zinc/07/95/35/494079535.db2.gz KYXXEZSAXYJDAW-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000072482767 494183909 /nfs/dbraw/zinc/18/39/09/494183909.db2.gz NRZARBRYLFQDIL-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C1CCCC1 ZINC000088523800 494245962 /nfs/dbraw/zinc/24/59/62/494245962.db2.gz HOCWDCQTYLQTTQ-OAQYLSRUSA-N 1 2 368.525 3.048 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000043233654 494277824 /nfs/dbraw/zinc/27/78/24/494277824.db2.gz OPHOOGKZHJRCIR-UHFFFAOYSA-N 1 2 374.366 3.325 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc4ccccc43)CC2)cc1 ZINC000078438674 494296356 /nfs/dbraw/zinc/29/63/56/494296356.db2.gz NQVYWVDKWCPHTC-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078518528 494312478 /nfs/dbraw/zinc/31/24/78/494312478.db2.gz SIGIKDLFYLBGRB-UHFFFAOYSA-N 1 2 358.445 3.335 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078518528 494312480 /nfs/dbraw/zinc/31/24/80/494312480.db2.gz SIGIKDLFYLBGRB-UHFFFAOYSA-N 1 2 358.445 3.335 20 30 FGEDLO CC(C)c1nc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)no1 ZINC000067099162 494476420 /nfs/dbraw/zinc/47/64/20/494476420.db2.gz LSTKEHDUODKTAA-UHFFFAOYSA-N 1 2 367.409 3.004 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000046171441 494500502 /nfs/dbraw/zinc/50/05/02/494500502.db2.gz GEEGBPLFSRBXSY-ABAIWWIYSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000046171441 494500505 /nfs/dbraw/zinc/50/05/05/494500505.db2.gz GEEGBPLFSRBXSY-ABAIWWIYSA-N 1 2 372.332 3.385 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1F ZINC000056512323 494516751 /nfs/dbraw/zinc/51/67/51/494516751.db2.gz FVRWUQFATBMUFE-UHFFFAOYSA-N 1 2 362.470 3.264 20 30 FGEDLO C=CC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1F ZINC000056512323 494516755 /nfs/dbraw/zinc/51/67/55/494516755.db2.gz FVRWUQFATBMUFE-UHFFFAOYSA-N 1 2 362.470 3.264 20 30 FGEDLO C=CC[N@@H+](Cc1cc(C)c(OC(F)F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361169 494605521 /nfs/dbraw/zinc/60/55/21/494605521.db2.gz UXXXLRRVRFSZMG-OAHLLOKOSA-N 1 2 359.438 3.080 20 30 FGEDLO C=CC[N@H+](Cc1cc(C)c(OC(F)F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361169 494605526 /nfs/dbraw/zinc/60/55/26/494605526.db2.gz UXXXLRRVRFSZMG-OAHLLOKOSA-N 1 2 359.438 3.080 20 30 FGEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000024804365 494665933 /nfs/dbraw/zinc/66/59/33/494665933.db2.gz XMJOPZDPTXWMDO-UHFFFAOYSA-N 1 2 371.437 3.164 20 30 FGEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000024804365 494665937 /nfs/dbraw/zinc/66/59/37/494665937.db2.gz XMJOPZDPTXWMDO-UHFFFAOYSA-N 1 2 371.437 3.164 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246512 494713545 /nfs/dbraw/zinc/71/35/45/494713545.db2.gz WKYWOIUYOFKENT-SUMWQHHRSA-N 1 2 371.403 3.460 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025246512 494713549 /nfs/dbraw/zinc/71/35/49/494713549.db2.gz WKYWOIUYOFKENT-SUMWQHHRSA-N 1 2 371.403 3.460 20 30 FGEDLO N#CCSCCC[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000080627930 494750610 /nfs/dbraw/zinc/75/06/10/494750610.db2.gz GSALODJXJQSWNT-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000080627930 494750613 /nfs/dbraw/zinc/75/06/13/494750613.db2.gz GSALODJXJQSWNT-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797193 494776693 /nfs/dbraw/zinc/77/66/93/494776693.db2.gz JITCBFSZLHJCMC-UHFFFAOYSA-N 1 2 364.436 3.284 20 30 FGEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc4cc(C#N)ccc4n3)CC2)S1 ZINC000092920736 494787290 /nfs/dbraw/zinc/78/72/90/494787290.db2.gz HESAXRYDKUWZSC-UHFFFAOYSA-N 1 2 351.479 3.110 20 30 FGEDLO COC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(Cl)cc1 ZINC000092104234 494792158 /nfs/dbraw/zinc/79/21/58/494792158.db2.gz OAKSSAJZKXABGK-UHFFFAOYSA-N 1 2 368.824 3.035 20 30 FGEDLO C[C@H]1CN(c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)C[C@H](C)O1 ZINC000092118052 494795615 /nfs/dbraw/zinc/79/56/15/494795615.db2.gz BPUIPPNNWQHEKV-HOTGVXAUSA-N 1 2 361.449 3.432 20 30 FGEDLO Cc1c(NCc2c[nH+]c3ccc(C#N)cn23)cccc1C(=O)N1CCCC1 ZINC000092160602 494802106 /nfs/dbraw/zinc/80/21/06/494802106.db2.gz RMRWDYOZVMQYCF-UHFFFAOYSA-N 1 2 359.433 3.363 20 30 FGEDLO Cc1ccc(-c2cnc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)cc1 ZINC000075636973 494807917 /nfs/dbraw/zinc/80/79/17/494807917.db2.gz GIOLYOODRUCGOX-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328557 494819166 /nfs/dbraw/zinc/81/91/66/494819166.db2.gz HUYZQTCNGPBVEX-AWEZNQCLSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328557 494819167 /nfs/dbraw/zinc/81/91/67/494819167.db2.gz HUYZQTCNGPBVEX-AWEZNQCLSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1cnn(C)c1 ZINC000027539592 494871815 /nfs/dbraw/zinc/87/18/15/494871815.db2.gz VLZLYGRCHIUVKC-ZDUSSCGKSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539592 494871818 /nfs/dbraw/zinc/87/18/18/494871818.db2.gz VLZLYGRCHIUVKC-ZDUSSCGKSA-N 1 2 371.510 3.081 20 30 FGEDLO C=C(C)COc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)ccc1OC ZINC000093358684 494878078 /nfs/dbraw/zinc/87/80/78/494878078.db2.gz FRGNTAOCVIZQLR-UHFFFAOYSA-N 1 2 354.450 3.138 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)ccc1OC ZINC000093358684 494878081 /nfs/dbraw/zinc/87/80/81/494878081.db2.gz FRGNTAOCVIZQLR-UHFFFAOYSA-N 1 2 354.450 3.138 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000132478805 494880449 /nfs/dbraw/zinc/88/04/49/494880449.db2.gz GHQTXPGTCOFFSH-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000132478805 494880451 /nfs/dbraw/zinc/88/04/51/494880451.db2.gz GHQTXPGTCOFFSH-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000109736765 494913529 /nfs/dbraw/zinc/91/35/29/494913529.db2.gz WJBSSDOVQXLHOE-UHFFFAOYSA-N 1 2 352.434 3.336 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc(OC)c1O ZINC000128176540 495056146 /nfs/dbraw/zinc/05/61/46/495056146.db2.gz AKIIPLZHDODSSB-SFHVURJKSA-N 1 2 370.449 3.003 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc(OC)c1O ZINC000128176540 495056148 /nfs/dbraw/zinc/05/61/48/495056148.db2.gz AKIIPLZHDODSSB-SFHVURJKSA-N 1 2 370.449 3.003 20 30 FGEDLO C=CCC[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000123094277 495079254 /nfs/dbraw/zinc/07/92/54/495079254.db2.gz JCLZRLJCSKQUBS-HXUWFJFHSA-N 1 2 364.493 3.027 20 30 FGEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128463572 495100919 /nfs/dbraw/zinc/10/09/19/495100919.db2.gz CTEYWXDEUJOFKV-QGZVFWFLSA-N 1 2 360.504 3.403 20 30 FGEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128463572 495100922 /nfs/dbraw/zinc/10/09/22/495100922.db2.gz CTEYWXDEUJOFKV-QGZVFWFLSA-N 1 2 360.504 3.403 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101921370 495107939 /nfs/dbraw/zinc/10/79/39/495107939.db2.gz LYJIWELSQUNFSY-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000101921370 495107944 /nfs/dbraw/zinc/10/79/44/495107944.db2.gz LYJIWELSQUNFSY-KRWDZBQOSA-N 1 2 356.376 3.232 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccoc1 ZINC000102408227 495134869 /nfs/dbraw/zinc/13/48/69/495134869.db2.gz ALUQUZNIMQJOTC-UHFFFAOYSA-N 1 2 372.469 3.067 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1ccoc1 ZINC000102408227 495134871 /nfs/dbraw/zinc/13/48/71/495134871.db2.gz ALUQUZNIMQJOTC-UHFFFAOYSA-N 1 2 372.469 3.067 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128919053 495168689 /nfs/dbraw/zinc/16/86/89/495168689.db2.gz MJKXYWFOYQEWFL-UHFFFAOYSA-N 1 2 358.442 3.274 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000119626501 495204640 /nfs/dbraw/zinc/20/46/40/495204640.db2.gz DEGVMNVCKOXEKX-UHFFFAOYSA-N 1 2 370.359 3.407 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129166539 495206253 /nfs/dbraw/zinc/20/62/53/495206253.db2.gz QMBVAAZRVMCLHT-OAQYLSRUSA-N 1 2 370.424 3.467 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129166539 495206256 /nfs/dbraw/zinc/20/62/56/495206256.db2.gz QMBVAAZRVMCLHT-OAQYLSRUSA-N 1 2 370.424 3.467 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000135290865 495273513 /nfs/dbraw/zinc/27/35/13/495273513.db2.gz QGUAKINDZJAIAP-MJGOQNOKSA-N 1 2 354.450 3.405 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000135290865 495273517 /nfs/dbraw/zinc/27/35/17/495273517.db2.gz QGUAKINDZJAIAP-MJGOQNOKSA-N 1 2 354.450 3.405 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000119990504 495283764 /nfs/dbraw/zinc/28/37/64/495283764.db2.gz NJRXJUMABYGFPU-UHFFFAOYSA-N 1 2 354.372 3.190 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000105642532 495379925 /nfs/dbraw/zinc/37/99/25/495379925.db2.gz PKMHNOVVSCWOOG-UHFFFAOYSA-N 1 2 351.284 3.497 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130504285 495402442 /nfs/dbraw/zinc/40/24/42/495402442.db2.gz PJRAWMCCKWAJIK-INIZCTEOSA-N 1 2 357.845 3.327 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130504285 495402444 /nfs/dbraw/zinc/40/24/44/495402444.db2.gz PJRAWMCCKWAJIK-INIZCTEOSA-N 1 2 357.845 3.327 20 30 FGEDLO CCO[C@@H](C)c1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000120691578 495435819 /nfs/dbraw/zinc/43/58/19/495435819.db2.gz RMAHBWNBBIUQBT-AWEZNQCLSA-N 1 2 356.426 3.082 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130920672 495467144 /nfs/dbraw/zinc/46/71/44/495467144.db2.gz PXAMMYWZKACGFP-RHSMWYFYSA-N 1 2 356.401 3.149 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000131031731 495482377 /nfs/dbraw/zinc/48/23/77/495482377.db2.gz YICMRQIAQHTWKF-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000131031731 495482381 /nfs/dbraw/zinc/48/23/81/495482381.db2.gz YICMRQIAQHTWKF-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000120929625 495487682 /nfs/dbraw/zinc/48/76/82/495487682.db2.gz LWTOCZMFNMWNPQ-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000120929625 495487683 /nfs/dbraw/zinc/48/76/83/495487683.db2.gz LWTOCZMFNMWNPQ-GOSISDBHSA-N 1 2 369.852 3.458 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000571665970 505786376 /nfs/dbraw/zinc/78/63/76/505786376.db2.gz LQTAKFBKZRVZLE-XJKSGUPXSA-N 1 2 369.490 3.017 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000176213756 495549940 /nfs/dbraw/zinc/54/99/40/495549940.db2.gz RPQZKPARLPOASF-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000176213756 495549941 /nfs/dbraw/zinc/54/99/41/495549941.db2.gz RPQZKPARLPOASF-IBGZPJMESA-N 1 2 358.438 3.308 20 30 FGEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179363427 495561348 /nfs/dbraw/zinc/56/13/48/495561348.db2.gz JUPPUPGEJRMGEM-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179363427 495561351 /nfs/dbraw/zinc/56/13/51/495561351.db2.gz JUPPUPGEJRMGEM-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)o1 ZINC000179610565 495660042 /nfs/dbraw/zinc/66/00/42/495660042.db2.gz IVMAVWMDWKYJCZ-UHFFFAOYSA-N 1 2 351.328 3.419 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)o1 ZINC000179610565 495660046 /nfs/dbraw/zinc/66/00/46/495660046.db2.gz IVMAVWMDWKYJCZ-UHFFFAOYSA-N 1 2 351.328 3.419 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000159206605 495684325 /nfs/dbraw/zinc/68/43/25/495684325.db2.gz VSVBDTMOITYJKC-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc(OC)c1O ZINC000179697482 495694022 /nfs/dbraw/zinc/69/40/22/495694022.db2.gz JQQAHQSSEZFNAD-UHFFFAOYSA-N 1 2 372.490 3.149 20 30 FGEDLO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000182837638 495721802 /nfs/dbraw/zinc/72/18/02/495721802.db2.gz RIAYAMIRBKYZEW-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000159415408 495728134 /nfs/dbraw/zinc/72/81/34/495728134.db2.gz OSOPVNAULBTNSN-ZDUSSCGKSA-N 1 2 362.524 3.322 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000151247936 495783401 /nfs/dbraw/zinc/78/34/01/495783401.db2.gz MMQFRTVIGSQVDB-MSOLQXFVSA-N 1 2 356.495 3.330 20 30 FGEDLO CCc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000179988821 495812532 /nfs/dbraw/zinc/81/25/32/495812532.db2.gz LUCZXJYEOAVITP-BBRMVZONSA-N 1 2 354.479 3.423 20 30 FGEDLO N#CCCN(CC1CC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176988677 495872488 /nfs/dbraw/zinc/87/24/88/495872488.db2.gz HXPSHGIIXRQTNM-UHFFFAOYSA-N 1 2 353.426 3.120 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000186446050 496001891 /nfs/dbraw/zinc/00/18/91/496001891.db2.gz KYCORWUBVCIYKK-AWEZNQCLSA-N 1 2 354.414 3.246 20 30 FGEDLO N#CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000171762974 496027128 /nfs/dbraw/zinc/02/71/28/496027128.db2.gz SPJIZSHHZFRBAQ-UHFFFAOYSA-N 1 2 350.422 3.145 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4cccnc4C3)sc2C1 ZINC000580710648 505820870 /nfs/dbraw/zinc/82/08/70/505820870.db2.gz LQCKBTIQKPGIEI-ZDUSSCGKSA-N 1 2 366.490 3.484 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4cccnc4C3)sc2C1 ZINC000580710648 505820871 /nfs/dbraw/zinc/82/08/71/505820871.db2.gz LQCKBTIQKPGIEI-ZDUSSCGKSA-N 1 2 366.490 3.484 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184090658 496233202 /nfs/dbraw/zinc/23/32/02/496233202.db2.gz ATUHDGSCBVSWMQ-UHFFFAOYSA-N 1 2 352.438 3.391 20 30 FGEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000161942629 496267735 /nfs/dbraw/zinc/26/77/35/496267735.db2.gz JSNASMKVFUWAEC-JQWIXIFHSA-N 1 2 361.667 3.076 20 30 FGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000161942629 496267742 /nfs/dbraw/zinc/26/77/42/496267742.db2.gz JSNASMKVFUWAEC-JQWIXIFHSA-N 1 2 361.667 3.076 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000162320936 496336241 /nfs/dbraw/zinc/33/62/41/496336241.db2.gz ZGFAYXJJFGWFEI-UHFFFAOYSA-N 1 2 364.449 3.027 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000184361311 496351583 /nfs/dbraw/zinc/35/15/83/496351583.db2.gz GUDPSSFHTLKDDA-HNNXBMFYSA-N 1 2 355.463 3.169 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000569055078 505839434 /nfs/dbraw/zinc/83/94/34/505839434.db2.gz YYFHEOKHFUXRDW-AEFFLSMTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000569055078 505839437 /nfs/dbraw/zinc/83/94/37/505839437.db2.gz YYFHEOKHFUXRDW-AEFFLSMTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000153200399 496381453 /nfs/dbraw/zinc/38/14/53/496381453.db2.gz FYUQGSSWLSJCDZ-UHFFFAOYSA-N 1 2 366.371 3.054 20 30 FGEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000178415504 496448208 /nfs/dbraw/zinc/44/82/08/496448208.db2.gz BSHOYXSQOHICEZ-LLVKDONJSA-N 1 2 352.822 3.240 20 30 FGEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172910395 496487186 /nfs/dbraw/zinc/48/71/86/496487186.db2.gz LXBJIMBCBIMCDB-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172910395 496487188 /nfs/dbraw/zinc/48/71/88/496487188.db2.gz LXBJIMBCBIMCDB-INIZCTEOSA-N 1 2 371.444 3.129 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153594339 496511185 /nfs/dbraw/zinc/51/11/85/496511185.db2.gz FEXXNUSOZFUXOI-UHFFFAOYSA-N 1 2 366.371 3.353 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000157675709 496527486 /nfs/dbraw/zinc/52/74/86/496527486.db2.gz YBCQOOMKRRQASZ-KBPBESRZSA-N 1 2 366.303 3.278 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000157675709 496527490 /nfs/dbraw/zinc/52/74/90/496527490.db2.gz YBCQOOMKRRQASZ-KBPBESRZSA-N 1 2 366.303 3.278 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000157808208 496559798 /nfs/dbraw/zinc/55/97/98/496559798.db2.gz KJAANGLWYJJELS-HRAATJIYSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000157808208 496559801 /nfs/dbraw/zinc/55/98/01/496559801.db2.gz KJAANGLWYJJELS-HRAATJIYSA-N 1 2 352.434 3.408 20 30 FGEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153853881 496602136 /nfs/dbraw/zinc/60/21/36/496602136.db2.gz NWOQPKOSHUROQO-HDAAZOAOSA-N 1 2 368.525 3.047 20 30 FGEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153855416 496603512 /nfs/dbraw/zinc/60/35/12/496603512.db2.gz XZBKJHIOHWMRHB-RXVVDRJESA-N 1 2 368.525 3.048 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158039663 496613532 /nfs/dbraw/zinc/61/35/32/496613532.db2.gz CLPCBBFYIHSXOQ-OAHLLOKOSA-N 1 2 359.861 3.323 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158039663 496613535 /nfs/dbraw/zinc/61/35/35/496613535.db2.gz CLPCBBFYIHSXOQ-OAHLLOKOSA-N 1 2 359.861 3.323 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)ccc3OC)n2)c1 ZINC000185129277 496673191 /nfs/dbraw/zinc/67/31/91/496673191.db2.gz WALREJIJBYVBIL-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000167173125 496697752 /nfs/dbraw/zinc/69/77/52/496697752.db2.gz PPXFLVNKQYQALS-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000185240154 496714417 /nfs/dbraw/zinc/71/44/17/496714417.db2.gz KIMCAJOZEHJPOL-LSDHHAIUSA-N 1 2 373.501 3.499 20 30 FGEDLO Cn1c[nH+]cc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000188234926 496721137 /nfs/dbraw/zinc/72/11/37/496721137.db2.gz AIQSSLIRJJCKBB-UHFFFAOYSA-N 1 2 360.417 3.246 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000185298314 496726116 /nfs/dbraw/zinc/72/61/16/496726116.db2.gz RVLZJERFODBHSF-OAHLLOKOSA-N 1 2 360.889 3.234 20 30 FGEDLO C[C@@H](C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000263879472 496752689 /nfs/dbraw/zinc/75/26/89/496752689.db2.gz LADQTXRFJQVAAP-MAUKXSAKSA-N 1 2 374.444 3.247 20 30 FGEDLO C[C@@H](C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000263879472 496752695 /nfs/dbraw/zinc/75/26/95/496752695.db2.gz LADQTXRFJQVAAP-MAUKXSAKSA-N 1 2 374.444 3.247 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000194973799 496778197 /nfs/dbraw/zinc/77/81/97/496778197.db2.gz JOMZXZXEZIJDKH-CYBMUJFWSA-N 1 2 352.276 3.204 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000194973799 496778199 /nfs/dbraw/zinc/77/81/99/496778199.db2.gz JOMZXZXEZIJDKH-CYBMUJFWSA-N 1 2 352.276 3.204 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247105703 496780026 /nfs/dbraw/zinc/78/00/26/496780026.db2.gz QTCKJFOQUSZUNC-WIYYLYMNSA-N 1 2 367.497 3.248 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247105703 496780033 /nfs/dbraw/zinc/78/00/33/496780033.db2.gz QTCKJFOQUSZUNC-WIYYLYMNSA-N 1 2 367.497 3.248 20 30 FGEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(Cc2ccccc2)no1 ZINC000191593574 496825292 /nfs/dbraw/zinc/82/52/92/496825292.db2.gz HMVWHVCGFLIQOP-CQSZACIVSA-N 1 2 358.405 3.031 20 30 FGEDLO C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(Cc2ccccc2)no1 ZINC000191593574 496825295 /nfs/dbraw/zinc/82/52/95/496825295.db2.gz HMVWHVCGFLIQOP-CQSZACIVSA-N 1 2 358.405 3.031 20 30 FGEDLO Cn1ncc2c1nc[nH+]c2SCc1cc(C#N)ccc1Br ZINC000191740571 496873688 /nfs/dbraw/zinc/87/36/88/496873688.db2.gz QFBQPDXDXXNZGF-UHFFFAOYSA-N 1 2 360.240 3.290 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000188719643 496887479 /nfs/dbraw/zinc/88/74/79/496887479.db2.gz YDOWMSBHSXVJNF-UHFFFAOYSA-N 1 2 368.441 3.173 20 30 FGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265099281 497047615 /nfs/dbraw/zinc/04/76/15/497047615.db2.gz XEHBRLKTWKVBHI-UHFFFAOYSA-N 1 2 373.522 3.373 20 30 FGEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000265099281 497047620 /nfs/dbraw/zinc/04/76/20/497047620.db2.gz XEHBRLKTWKVBHI-UHFFFAOYSA-N 1 2 373.522 3.373 20 30 FGEDLO C=CCOc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000192310568 497071001 /nfs/dbraw/zinc/07/10/01/497071001.db2.gz KELKARQHUVNDNN-QGZVFWFLSA-N 1 2 354.454 3.005 20 30 FGEDLO C=CCOc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192310568 497071007 /nfs/dbraw/zinc/07/10/07/497071007.db2.gz KELKARQHUVNDNN-QGZVFWFLSA-N 1 2 354.454 3.005 20 30 FGEDLO C#CC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000270193297 497074422 /nfs/dbraw/zinc/07/44/22/497074422.db2.gz DCNXBBRLMGQYOG-LJQANCHMSA-N 1 2 364.449 3.113 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000189304891 497076008 /nfs/dbraw/zinc/07/60/08/497076008.db2.gz JYTMQPTZBQLJTN-BBRMVZONSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000189304891 497076011 /nfs/dbraw/zinc/07/60/11/497076011.db2.gz JYTMQPTZBQLJTN-BBRMVZONSA-N 1 2 361.511 3.184 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270424275 497125049 /nfs/dbraw/zinc/12/50/49/497125049.db2.gz SYZYUVFEVNQUKN-OAQYLSRUSA-N 1 2 363.465 3.068 20 30 FGEDLO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581013654 505891379 /nfs/dbraw/zinc/89/13/79/505891379.db2.gz CLPUMMQKWRZMBR-VGOFRKELSA-N 1 2 365.477 3.005 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000278633684 497173752 /nfs/dbraw/zinc/17/37/52/497173752.db2.gz FUXOJONECNIFRG-QGZVFWFLSA-N 1 2 365.393 3.045 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000278633684 497173757 /nfs/dbraw/zinc/17/37/57/497173757.db2.gz FUXOJONECNIFRG-QGZVFWFLSA-N 1 2 365.393 3.045 20 30 FGEDLO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581013649 505891089 /nfs/dbraw/zinc/89/10/89/505891089.db2.gz CLPUMMQKWRZMBR-HTAPYJJXSA-N 1 2 365.477 3.005 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000574977216 505896166 /nfs/dbraw/zinc/89/61/66/505896166.db2.gz AQSUFAIOSPPFSX-ICSRJNTNSA-N 1 2 373.378 3.080 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000574977216 505896169 /nfs/dbraw/zinc/89/61/69/505896169.db2.gz AQSUFAIOSPPFSX-ICSRJNTNSA-N 1 2 373.378 3.080 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271018845 497246541 /nfs/dbraw/zinc/24/65/41/497246541.db2.gz AOWIOTKMRXNZIB-LJQANCHMSA-N 1 2 368.506 3.184 20 30 FGEDLO CC(C)(C)c1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000279080555 497326859 /nfs/dbraw/zinc/32/68/59/497326859.db2.gz HDIAHYDSPAXHBZ-INIZCTEOSA-N 1 2 368.506 3.203 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccc(F)cc4F)C3)n2c1 ZINC000190132947 497369743 /nfs/dbraw/zinc/36/97/43/497369743.db2.gz VADSCGQLTUJVIE-GOSISDBHSA-N 1 2 354.360 3.058 20 30 FGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000279307372 497401367 /nfs/dbraw/zinc/40/13/67/497401367.db2.gz QZMKFDJSGWBWOJ-UHFFFAOYSA-N 1 2 351.353 3.190 20 30 FGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000279307372 497401370 /nfs/dbraw/zinc/40/13/70/497401370.db2.gz QZMKFDJSGWBWOJ-UHFFFAOYSA-N 1 2 351.353 3.190 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245459216 497416610 /nfs/dbraw/zinc/41/66/10/497416610.db2.gz VEVCDRNPKYQUDP-WBMJQRKESA-N 1 2 369.494 3.006 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245459216 497416613 /nfs/dbraw/zinc/41/66/13/497416613.db2.gz VEVCDRNPKYQUDP-WBMJQRKESA-N 1 2 369.494 3.006 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)c(C(F)(F)F)c1 ZINC000581102036 505909783 /nfs/dbraw/zinc/90/97/83/505909783.db2.gz ASCUIIMTGNVZLF-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1)OCC ZINC000271930375 497490543 /nfs/dbraw/zinc/49/05/43/497490543.db2.gz PMTFKPNQZDWCEV-NRFANRHFSA-N 1 2 367.493 3.382 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000190728591 497587037 /nfs/dbraw/zinc/58/70/37/497587037.db2.gz ZNYALEMIRQAZPP-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000190728591 497587040 /nfs/dbraw/zinc/58/70/40/497587040.db2.gz ZNYALEMIRQAZPP-GASCZTMLSA-N 1 2 365.433 3.125 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000277009986 497714843 /nfs/dbraw/zinc/71/48/43/497714843.db2.gz IDRKFEOHFPRFKE-QGZVFWFLSA-N 1 2 355.482 3.408 20 30 FGEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000268433778 497749578 /nfs/dbraw/zinc/74/95/78/497749578.db2.gz BRNKQNWTUDLPCT-UHFFFAOYSA-N 1 2 356.422 3.056 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1)C1CC1 ZINC000191234679 497751774 /nfs/dbraw/zinc/75/17/74/497751774.db2.gz DODGGPDAWQEVDV-QGZVFWFLSA-N 1 2 353.388 3.249 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1)C1CC1 ZINC000191234679 497751778 /nfs/dbraw/zinc/75/17/78/497751778.db2.gz DODGGPDAWQEVDV-QGZVFWFLSA-N 1 2 353.388 3.249 20 30 FGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268478113 497760940 /nfs/dbraw/zinc/76/09/40/497760940.db2.gz KWRATXPOTWRKRT-LBPRGKRZSA-N 1 2 373.363 3.023 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@@H](C4CCCCC4)C3)cn21 ZINC000329590762 497838059 /nfs/dbraw/zinc/83/80/59/497838059.db2.gz NQTPRNDIWGCZQU-GOSISDBHSA-N 1 2 356.470 3.338 20 30 FGEDLO CCCCc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299591736 497859974 /nfs/dbraw/zinc/85/99/74/497859974.db2.gz DJVFZAOGMWSYIY-UHFFFAOYSA-N 1 2 367.453 3.135 20 30 FGEDLO O=C(N[C@H]1CNC(=O)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000329679184 497866007 /nfs/dbraw/zinc/86/60/07/497866007.db2.gz QTCKFKIVTOXGEL-HIFRSBDPSA-N 1 2 366.259 3.271 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@H]1CCCCS1)C2 ZINC000329752121 497890010 /nfs/dbraw/zinc/89/00/10/497890010.db2.gz JHXGLINXLPBYPG-UONOGXRCSA-N 1 2 350.532 3.285 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@H]1CCCCS1)C2 ZINC000329752121 497890012 /nfs/dbraw/zinc/89/00/12/497890012.db2.gz JHXGLINXLPBYPG-UONOGXRCSA-N 1 2 350.532 3.285 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@]1(C)CCCS1)C2 ZINC000329816159 497912034 /nfs/dbraw/zinc/91/20/34/497912034.db2.gz DUMOACUXLRRTOV-SCLBCKFNSA-N 1 2 350.532 3.285 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@]1(C)CCCS1)C2 ZINC000329816159 497912041 /nfs/dbraw/zinc/91/20/41/497912041.db2.gz DUMOACUXLRRTOV-SCLBCKFNSA-N 1 2 350.532 3.285 20 30 FGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H]1CCCCC12CCCC2 ZINC000329815756 497912194 /nfs/dbraw/zinc/91/21/94/497912194.db2.gz OAULAHMLLUNZSE-GOSISDBHSA-N 1 2 372.513 3.425 20 30 FGEDLO O=C(C[NH+]1CCC(Oc2ccccn2)CC1)NC(=O)NC1CCCCC1 ZINC000329909673 497949144 /nfs/dbraw/zinc/94/91/44/497949144.db2.gz MQOOXUQSECBJSS-UHFFFAOYSA-N 1 2 360.458 3.128 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCCCC2)on1 ZINC000329934576 497959419 /nfs/dbraw/zinc/95/94/19/497959419.db2.gz JWXPJGKGJUQAMW-RDJZCZTQSA-N 1 2 366.481 3.464 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCCCC2)on1 ZINC000329934576 497959425 /nfs/dbraw/zinc/95/94/25/497959425.db2.gz JWXPJGKGJUQAMW-RDJZCZTQSA-N 1 2 366.481 3.464 20 30 FGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329935632 497960154 /nfs/dbraw/zinc/96/01/54/497960154.db2.gz KMBCODWXKZOYAF-LNLFQRSKSA-N 1 2 369.513 3.123 20 30 FGEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329935632 497960159 /nfs/dbraw/zinc/96/01/59/497960159.db2.gz KMBCODWXKZOYAF-LNLFQRSKSA-N 1 2 369.513 3.123 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CC=CCC2)on1 ZINC000329972519 497976627 /nfs/dbraw/zinc/97/66/27/497976627.db2.gz ZCHKTPXHFYXYEK-ULQDDVLXSA-N 1 2 364.465 3.098 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H]2CC=CCC2)on1 ZINC000329972519 497976632 /nfs/dbraw/zinc/97/66/32/497976632.db2.gz ZCHKTPXHFYXYEK-ULQDDVLXSA-N 1 2 364.465 3.098 20 30 FGEDLO N#Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)ccc1Cl ZINC000301165133 497979430 /nfs/dbraw/zinc/97/94/30/497979430.db2.gz VBYXXSALNLYRDG-QGZVFWFLSA-N 1 2 360.820 3.231 20 30 FGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289013654 497980319 /nfs/dbraw/zinc/98/03/19/497980319.db2.gz FENQVOIJOXYKKW-IAGOWNOFSA-N 1 2 352.438 3.464 20 30 FGEDLO CC(C)(C#N)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000289013654 497980324 /nfs/dbraw/zinc/98/03/24/497980324.db2.gz FENQVOIJOXYKKW-IAGOWNOFSA-N 1 2 352.438 3.464 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2ccccn12 ZINC000301178953 497985216 /nfs/dbraw/zinc/98/52/16/497985216.db2.gz YCQBGYNAJORTAI-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000330003893 497986745 /nfs/dbraw/zinc/98/67/45/497986745.db2.gz CDDMBCKPRCYZOJ-UHFFFAOYSA-N 1 2 356.426 3.112 20 30 FGEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400458 505960069 /nfs/dbraw/zinc/96/00/69/505960069.db2.gz JLQZLRJLNJIGIO-WMLDXEAASA-N 1 2 373.478 3.102 20 30 FGEDLO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400458 505960071 /nfs/dbraw/zinc/96/00/71/505960071.db2.gz JLQZLRJLNJIGIO-WMLDXEAASA-N 1 2 373.478 3.102 20 30 FGEDLO CC(C)n1cc2cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)ccc2n1 ZINC000330010222 497989558 /nfs/dbraw/zinc/98/95/58/497989558.db2.gz HWIMIFWXZGDRQF-LSDHHAIUSA-N 1 2 359.474 3.052 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330128949 498031382 /nfs/dbraw/zinc/03/13/82/498031382.db2.gz NYONBKSWDYYHHN-SPYBWZPUSA-N 1 2 350.434 3.113 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330128949 498031387 /nfs/dbraw/zinc/03/13/87/498031387.db2.gz NYONBKSWDYYHHN-SPYBWZPUSA-N 1 2 350.434 3.113 20 30 FGEDLO Cc1ccc(Cc2noc([C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)n2)c[nH+]1 ZINC000350002379 498031990 /nfs/dbraw/zinc/03/19/90/498031990.db2.gz GWEJHVIEPLSZMM-SFHVURJKSA-N 1 2 373.416 3.099 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@]2(CCOC2)O1 ZINC000330156070 498043724 /nfs/dbraw/zinc/04/37/24/498043724.db2.gz OMEJCEITJOBFHT-MRUHUIDDSA-N 1 2 369.465 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@]2(CCOC2)O1 ZINC000330156070 498043731 /nfs/dbraw/zinc/04/37/31/498043731.db2.gz OMEJCEITJOBFHT-MRUHUIDDSA-N 1 2 369.465 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330165188 498046717 /nfs/dbraw/zinc/04/67/17/498046717.db2.gz WRVGYGDJPLVBNJ-BJZITVGISA-N 1 2 350.434 3.113 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330165188 498046724 /nfs/dbraw/zinc/04/67/24/498046724.db2.gz WRVGYGDJPLVBNJ-BJZITVGISA-N 1 2 350.434 3.113 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285341345 498056900 /nfs/dbraw/zinc/05/69/00/498056900.db2.gz ABKAHZGATNDBFX-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330222467 498067606 /nfs/dbraw/zinc/06/76/06/498067606.db2.gz MKTPTQSSUDXIJN-QGZVFWFLSA-N 1 2 350.484 3.225 20 30 FGEDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000330222467 498067611 /nfs/dbraw/zinc/06/76/11/498067611.db2.gz MKTPTQSSUDXIJN-QGZVFWFLSA-N 1 2 350.484 3.225 20 30 FGEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000301357105 498072528 /nfs/dbraw/zinc/07/25/28/498072528.db2.gz OVXRYDZJKPKJBU-UHFFFAOYSA-N 1 2 358.361 3.317 20 30 FGEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)CCC2 ZINC000330257859 498082414 /nfs/dbraw/zinc/08/24/14/498082414.db2.gz LXOJAZMGXGXMFV-QGZVFWFLSA-N 1 2 358.486 3.218 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301259 498095720 /nfs/dbraw/zinc/09/57/20/498095720.db2.gz JVVVYMOVZOISEO-IUODEOHRSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301259 498095726 /nfs/dbraw/zinc/09/57/26/498095726.db2.gz JVVVYMOVZOISEO-IUODEOHRSA-N 1 2 360.845 3.170 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@]2(C)CCCNC2=O)c2cccs2)CCO1 ZINC000330310351 498100008 /nfs/dbraw/zinc/10/00/08/498100008.db2.gz NJGSZUJHLZQUDU-HBUWYVDXSA-N 1 2 365.499 3.223 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@]2(C)CCCNC2=O)c2cccs2)CCO1 ZINC000330310351 498100015 /nfs/dbraw/zinc/10/00/15/498100015.db2.gz NJGSZUJHLZQUDU-HBUWYVDXSA-N 1 2 365.499 3.223 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296611751 498120842 /nfs/dbraw/zinc/12/08/42/498120842.db2.gz FJPUBEZIAUOJAR-XJKSGUPXSA-N 1 2 353.426 3.326 20 30 FGEDLO Cc1cc(NC(=O)NC[C@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@@H]1C ZINC000330774419 498191430 /nfs/dbraw/zinc/19/14/30/498191430.db2.gz GSBPETZESWXXBU-AAEUAGOBSA-N 1 2 360.380 3.018 20 30 FGEDLO N#CC1(CCC[S@](=O)Cc2[nH+]ccn2-c2ccccc2)CCOCC1 ZINC000281778862 498266042 /nfs/dbraw/zinc/26/60/42/498266042.db2.gz GSTGKQXDEGMNDY-VWLOTQADSA-N 1 2 357.479 3.222 20 30 FGEDLO N#Cc1ccc(-c2cccc(CNc3[nH+]cnc(-n4cccn4)c3N)c2)s1 ZINC000301798652 498268895 /nfs/dbraw/zinc/26/88/95/498268895.db2.gz RQHJXZWPBMEXMF-UHFFFAOYSA-N 1 2 373.445 3.457 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281814392 498278503 /nfs/dbraw/zinc/27/85/03/498278503.db2.gz OCPFKXFFVVBFTB-HKUYNNGSSA-N 1 2 372.513 3.090 20 30 FGEDLO C=CCN(CCC#N)Cc1cc(C[N@@H+](CC=C)CCC#N)cc(OC)c1 ZINC000293161682 498290167 /nfs/dbraw/zinc/29/01/67/498290167.db2.gz CHJNBBTXYNXYCB-UHFFFAOYSA-N 1 2 352.482 3.499 20 30 FGEDLO C=CCN(CCC#N)Cc1cc(C[N@H+](CC=C)CCC#N)cc(OC)c1 ZINC000293161682 498290175 /nfs/dbraw/zinc/29/01/75/498290175.db2.gz CHJNBBTXYNXYCB-UHFFFAOYSA-N 1 2 352.482 3.499 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000331450224 498335464 /nfs/dbraw/zinc/33/54/64/498335464.db2.gz TYPIWMLVIPPXME-RTBURBONSA-N 1 2 354.498 3.342 20 30 FGEDLO Cc1ncsc1C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000362158203 498469780 /nfs/dbraw/zinc/46/97/80/498469780.db2.gz XINYSTAPEKKFAY-UHFFFAOYSA-N 1 2 373.909 3.305 20 30 FGEDLO Cc1ncsc1C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000362158203 498469789 /nfs/dbraw/zinc/46/97/89/498469789.db2.gz XINYSTAPEKKFAY-UHFFFAOYSA-N 1 2 373.909 3.305 20 30 FGEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1c(C#N)cccc1C#N ZINC000302435879 498484506 /nfs/dbraw/zinc/48/45/06/498484506.db2.gz MFAKRZKOWUKULU-KRWDZBQOSA-N 1 2 352.463 3.001 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282378862 498487316 /nfs/dbraw/zinc/48/73/16/498487316.db2.gz CSINUMLGFGDJHY-AWEZNQCLSA-N 1 2 367.371 3.312 20 30 FGEDLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCOCCC#N ZINC000293797510 498491973 /nfs/dbraw/zinc/49/19/73/498491973.db2.gz NAAITPRJXDNQRH-CZUORRHYSA-N 1 2 353.260 3.141 20 30 FGEDLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCOCCC#N ZINC000293797510 498491979 /nfs/dbraw/zinc/49/19/79/498491979.db2.gz NAAITPRJXDNQRH-CZUORRHYSA-N 1 2 353.260 3.141 20 30 FGEDLO N#Cc1csc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000575962114 506043302 /nfs/dbraw/zinc/04/33/02/506043302.db2.gz ZOKDKZMUPCKENK-LBPRGKRZSA-N 1 2 354.357 3.082 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000575962114 506043305 /nfs/dbraw/zinc/04/33/05/506043305.db2.gz ZOKDKZMUPCKENK-LBPRGKRZSA-N 1 2 354.357 3.082 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)c1 ZINC000298024945 498642514 /nfs/dbraw/zinc/64/25/14/498642514.db2.gz GEUSGRMYRZBUIJ-LNLFQRSKSA-N 1 2 370.497 3.166 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)OCC ZINC000363165391 498681233 /nfs/dbraw/zinc/68/12/33/498681233.db2.gz CQZYSYFKNWPBBV-PKOBYXMFSA-N 1 2 357.454 3.006 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000332430322 498685173 /nfs/dbraw/zinc/68/51/73/498685173.db2.gz DZWWMDRDSYHPSG-ZDUSSCGKSA-N 1 2 357.439 3.115 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000332542790 498719809 /nfs/dbraw/zinc/71/98/09/498719809.db2.gz YACKVDLEIWGQFY-RTBURBONSA-N 1 2 357.454 3.185 20 30 FGEDLO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581887069 506083430 /nfs/dbraw/zinc/08/34/30/506083430.db2.gz CLPKWXLLAMRUPY-HNNXBMFYSA-N 1 2 368.915 3.407 20 30 FGEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000294862970 498830402 /nfs/dbraw/zinc/83/04/02/498830402.db2.gz TYPNXGGBEWGMSG-UHFFFAOYSA-N 1 2 366.417 3.179 20 30 FGEDLO CCCc1c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cnn1-c1cccc(C#N)c1 ZINC000579129098 506100299 /nfs/dbraw/zinc/10/02/99/506100299.db2.gz PSBYDDQBSKJGPQ-AWEZNQCLSA-N 1 2 362.437 3.237 20 30 FGEDLO CCCc1c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000579129098 506100303 /nfs/dbraw/zinc/10/03/03/506100303.db2.gz PSBYDDQBSKJGPQ-AWEZNQCLSA-N 1 2 362.437 3.237 20 30 FGEDLO CN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1C#N ZINC000366264547 498849612 /nfs/dbraw/zinc/84/96/12/498849612.db2.gz DBLHNIXKJGIHBL-HNNXBMFYSA-N 1 2 354.841 3.486 20 30 FGEDLO Cc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H]1CCCn3cc[nH+]c31)CCC2 ZINC000328617166 498875426 /nfs/dbraw/zinc/87/54/26/498875426.db2.gz TZEWZBZERDRENA-DZGCQCFKSA-N 1 2 359.499 3.449 20 30 FGEDLO Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)CO1 ZINC000328616367 498876107 /nfs/dbraw/zinc/87/61/07/498876107.db2.gz SMOTTWSNCPBDCQ-LNLFQRSKSA-N 1 2 368.481 3.445 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC[C@@H]1c1ccccc1)CCC2 ZINC000328648855 498888355 /nfs/dbraw/zinc/88/83/55/498888355.db2.gz IHXUCXVXKUQXIC-ZWKOTPCHSA-N 1 2 354.454 3.056 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000328658924 498892610 /nfs/dbraw/zinc/89/26/10/498892610.db2.gz RXIZUIFBNMGRPJ-FUHWJXTLSA-N 1 2 372.444 3.196 20 30 FGEDLO CC[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328747811 498925178 /nfs/dbraw/zinc/92/51/78/498925178.db2.gz BCZBFDLPOOMFQN-GUDVDZBRSA-N 1 2 373.497 3.028 20 30 FGEDLO CC[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328747811 498925184 /nfs/dbraw/zinc/92/51/84/498925184.db2.gz BCZBFDLPOOMFQN-GUDVDZBRSA-N 1 2 373.497 3.028 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC(=O)N1 ZINC000328788010 498939624 /nfs/dbraw/zinc/93/96/24/498939624.db2.gz JUMQNAKMIVMETC-BLLLJJGKSA-N 1 2 351.397 3.395 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCC(=O)N1 ZINC000328788010 498939626 /nfs/dbraw/zinc/93/96/26/498939626.db2.gz JUMQNAKMIVMETC-BLLLJJGKSA-N 1 2 351.397 3.395 20 30 FGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCCC23CCOCC3)C1 ZINC000328786901 498939767 /nfs/dbraw/zinc/93/97/67/498939767.db2.gz JHMZBWXYPVDGLU-IAGOWNOFSA-N 1 2 360.502 3.346 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(-c3ccccc3C#N)cc1)CC2 ZINC000363687192 498944767 /nfs/dbraw/zinc/94/47/67/498944767.db2.gz IRDWQUYMRLEBSM-UHFFFAOYSA-N 1 2 371.444 3.456 20 30 FGEDLO O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328809075 498945850 /nfs/dbraw/zinc/94/58/50/498945850.db2.gz MKZCVJOTQZEESM-LLVKDONJSA-N 1 2 359.817 3.121 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1C#N ZINC000288129152 498950108 /nfs/dbraw/zinc/95/01/08/498950108.db2.gz KBHVPJLARULFLY-UHFFFAOYSA-N 1 2 351.397 3.261 20 30 FGEDLO O=C(Nc1cccc(F)c1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328894937 498976369 /nfs/dbraw/zinc/97/63/69/498976369.db2.gz BBYSJDLGOUHLJV-OAHLLOKOSA-N 1 2 370.428 3.111 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccc(C)cc1 ZINC000573113288 506121580 /nfs/dbraw/zinc/12/15/80/506121580.db2.gz UMZLNWFSLUKISB-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccc(C)cc1 ZINC000573113288 506121582 /nfs/dbraw/zinc/12/15/82/506121582.db2.gz UMZLNWFSLUKISB-MRXNPFEDSA-N 1 2 358.511 3.252 20 30 FGEDLO O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328907813 498981883 /nfs/dbraw/zinc/98/18/83/498981883.db2.gz CJUUKRTZOUPVKO-INIZCTEOSA-N 1 2 371.460 3.311 20 30 FGEDLO O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328907813 498981886 /nfs/dbraw/zinc/98/18/86/498981886.db2.gz CJUUKRTZOUPVKO-INIZCTEOSA-N 1 2 371.460 3.311 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000328956789 498999120 /nfs/dbraw/zinc/99/91/20/498999120.db2.gz ZJEOBZHBGRQKMA-KCYZZUKISA-N 1 2 359.470 3.157 20 30 FGEDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959449 498999175 /nfs/dbraw/zinc/99/91/75/498999175.db2.gz OZVHLFHHDAGNCX-DZGCQCFKSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)Nc1nc2c(s1)CCC2 ZINC000328959449 498999181 /nfs/dbraw/zinc/99/91/81/498999181.db2.gz OZVHLFHHDAGNCX-DZGCQCFKSA-N 1 2 361.442 3.167 20 30 FGEDLO Cc1noc([C@H]([NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C2CCOCC2)n1 ZINC000328964814 498999958 /nfs/dbraw/zinc/99/99/58/498999958.db2.gz MACLOEHXFWFAMM-HINSOXJESA-N 1 2 364.490 3.217 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000333545910 499028728 /nfs/dbraw/zinc/02/87/28/499028728.db2.gz OODZKGCLEFBCQD-UHFFFAOYSA-N 1 2 351.454 3.385 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCO[C@H](C)C3)n2)C1 ZINC000329192207 499067366 /nfs/dbraw/zinc/06/73/66/499067366.db2.gz RWPSDZULNIMILM-MGPQQGTHSA-N 1 2 352.504 3.268 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCO[C@H](C)C3)n2)C1 ZINC000329192207 499067373 /nfs/dbraw/zinc/06/73/73/499067373.db2.gz RWPSDZULNIMILM-MGPQQGTHSA-N 1 2 352.504 3.268 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCCC[C@H]3O)n2)C1 ZINC000329371155 499110561 /nfs/dbraw/zinc/11/05/61/499110561.db2.gz MDMLUBMWYYPBRB-NUEKZKHPSA-N 1 2 366.531 3.395 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCCC[C@H]3O)n2)C1 ZINC000329371155 499110564 /nfs/dbraw/zinc/11/05/64/499110564.db2.gz MDMLUBMWYYPBRB-NUEKZKHPSA-N 1 2 366.531 3.395 20 30 FGEDLO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329413961 499117344 /nfs/dbraw/zinc/11/73/44/499117344.db2.gz CMHBCYQZWXXRRP-ZFWWWQNUSA-N 1 2 374.872 3.343 20 30 FGEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCOCC3(CC3)C2)c(C)c1 ZINC000329421480 499118628 /nfs/dbraw/zinc/11/86/28/499118628.db2.gz DTXHOCMSMOVLPX-UHFFFAOYSA-N 1 2 359.470 3.269 20 30 FGEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCOCC3(CC3)C2)c(C)c1 ZINC000329421480 499118631 /nfs/dbraw/zinc/11/86/31/499118631.db2.gz DTXHOCMSMOVLPX-UHFFFAOYSA-N 1 2 359.470 3.269 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)[nH]1 ZINC000329497125 499128101 /nfs/dbraw/zinc/12/81/01/499128101.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)[nH]1 ZINC000329497125 499128102 /nfs/dbraw/zinc/12/81/02/499128102.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)n1 ZINC000329497125 499128103 /nfs/dbraw/zinc/12/81/03/499128103.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)n1 ZINC000329497125 499128104 /nfs/dbraw/zinc/12/81/04/499128104.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)n[nH]1 ZINC000329497125 499128105 /nfs/dbraw/zinc/12/81/05/499128105.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)n[nH]1 ZINC000329497125 499128106 /nfs/dbraw/zinc/12/81/06/499128106.db2.gz XLNKIRUHIJCQGT-SJLPKXTDSA-N 1 2 353.470 3.327 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CCOCC1 ZINC000329511813 499128610 /nfs/dbraw/zinc/12/86/10/499128610.db2.gz XRDLQPJOZZWPCL-FGTMMUONSA-N 1 2 360.502 3.407 20 30 FGEDLO O=C(NCc1nc2ccccc2n1C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329522998 499129093 /nfs/dbraw/zinc/12/90/93/499129093.db2.gz PRBKMMAEESHIDJ-CQSZACIVSA-N 1 2 364.453 3.388 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369885059 499145413 /nfs/dbraw/zinc/14/54/13/499145413.db2.gz VPESUBFHTVCKRB-ZDUSSCGKSA-N 1 2 355.413 3.428 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369885059 499145415 /nfs/dbraw/zinc/14/54/15/499145415.db2.gz VPESUBFHTVCKRB-ZDUSSCGKSA-N 1 2 355.413 3.428 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367135773 499152921 /nfs/dbraw/zinc/15/29/21/499152921.db2.gz PIJOHWUGFYRPGF-AWEZNQCLSA-N 1 2 352.413 3.250 20 30 FGEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811505 499178922 /nfs/dbraw/zinc/17/89/22/499178922.db2.gz GJGPCSRADXBASP-FQEVSTJZSA-N 1 2 350.466 3.371 20 30 FGEDLO CC(C)N(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372811505 499178925 /nfs/dbraw/zinc/17/89/25/499178925.db2.gz GJGPCSRADXBASP-FQEVSTJZSA-N 1 2 350.466 3.371 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460964 499201693 /nfs/dbraw/zinc/20/16/93/499201693.db2.gz NJOIRXJGLMUSRU-NSHDSACASA-N 1 2 350.344 3.278 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460964 499201695 /nfs/dbraw/zinc/20/16/95/499201695.db2.gz NJOIRXJGLMUSRU-NSHDSACASA-N 1 2 350.344 3.278 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367855460 499238558 /nfs/dbraw/zinc/23/85/58/499238558.db2.gz HPCNDGKCMPDYJE-QGZVFWFLSA-N 1 2 354.454 3.074 20 30 FGEDLO C#Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000368030847 499257092 /nfs/dbraw/zinc/25/70/92/499257092.db2.gz PXKAYVCAJDFPAU-OAQYLSRUSA-N 1 2 361.445 3.298 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368514228 499303447 /nfs/dbraw/zinc/30/34/47/499303447.db2.gz LYLWJSWASTVOAW-AWEZNQCLSA-N 1 2 370.403 3.244 20 30 FGEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000368749455 499327788 /nfs/dbraw/zinc/32/77/88/499327788.db2.gz FDRFETAVQMSAKR-OAHLLOKOSA-N 1 2 351.454 3.411 20 30 FGEDLO COc1ccccc1/C=C/C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371461334 499330167 /nfs/dbraw/zinc/33/01/67/499330167.db2.gz XFEXDFZRIMKGMT-PYVLQEAASA-N 1 2 359.429 3.054 20 30 FGEDLO COc1ccccc1/C=C/C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371461334 499330168 /nfs/dbraw/zinc/33/01/68/499330168.db2.gz XFEXDFZRIMKGMT-PYVLQEAASA-N 1 2 359.429 3.054 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)o2)cc1 ZINC000371790572 499365732 /nfs/dbraw/zinc/36/57/32/499365732.db2.gz YHPLHWJDRTWDAN-SFHVURJKSA-N 1 2 352.438 3.389 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@H](C4CCCCC4)C3)o2)cc1 ZINC000371790572 499365733 /nfs/dbraw/zinc/36/57/33/499365733.db2.gz YHPLHWJDRTWDAN-SFHVURJKSA-N 1 2 352.438 3.389 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2sccc2C#N)no1 ZINC000369236183 499381314 /nfs/dbraw/zinc/38/13/14/499381314.db2.gz MIKULTPMXLRYST-ZDUSSCGKSA-N 1 2 359.455 3.121 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2sccc2C#N)no1 ZINC000369236183 499381315 /nfs/dbraw/zinc/38/13/15/499381315.db2.gz MIKULTPMXLRYST-ZDUSSCGKSA-N 1 2 359.455 3.121 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000369363951 499396062 /nfs/dbraw/zinc/39/60/62/499396062.db2.gz SUKIMMRDUNVQNT-MRXNPFEDSA-N 1 2 355.438 3.013 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCCOC2)O1 ZINC000369556502 499417201 /nfs/dbraw/zinc/41/72/01/499417201.db2.gz MSXRGBIUTNJOSH-GUYCJALGSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@]2(CCCOC2)O1 ZINC000369556502 499417203 /nfs/dbraw/zinc/41/72/03/499417203.db2.gz MSXRGBIUTNJOSH-GUYCJALGSA-N 1 2 365.271 3.091 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122009 499452550 /nfs/dbraw/zinc/45/25/50/499452550.db2.gz DOLJIQUKXRPXQF-ACJLOTCBSA-N 1 2 353.422 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122009 499452551 /nfs/dbraw/zinc/45/25/51/499452551.db2.gz DOLJIQUKXRPXQF-ACJLOTCBSA-N 1 2 353.422 3.034 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000373426482 499469195 /nfs/dbraw/zinc/46/91/95/499469195.db2.gz MGIAVYOOWVGEFU-NRFANRHFSA-N 1 2 360.498 3.351 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)cs1 ZINC000378273089 499496978 /nfs/dbraw/zinc/49/69/78/499496978.db2.gz ONAZTHZMJBMAED-UHFFFAOYSA-N 1 2 368.506 3.120 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)cs1 ZINC000378273089 499496980 /nfs/dbraw/zinc/49/69/80/499496980.db2.gz ONAZTHZMJBMAED-UHFFFAOYSA-N 1 2 368.506 3.120 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000378346813 499504689 /nfs/dbraw/zinc/50/46/89/499504689.db2.gz BFXJYHKFUOTGCP-CQSZACIVSA-N 1 2 350.397 3.209 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000378346813 499504692 /nfs/dbraw/zinc/50/46/92/499504692.db2.gz BFXJYHKFUOTGCP-CQSZACIVSA-N 1 2 350.397 3.209 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375400024 499514299 /nfs/dbraw/zinc/51/42/99/499514299.db2.gz BKIGFCXVOSWFBH-LJQANCHMSA-N 1 2 353.447 3.080 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375400024 499514300 /nfs/dbraw/zinc/51/43/00/499514300.db2.gz BKIGFCXVOSWFBH-LJQANCHMSA-N 1 2 353.447 3.080 20 30 FGEDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000375482153 499524542 /nfs/dbraw/zinc/52/45/42/499524542.db2.gz HZLPBCBQXKMIBB-UHFFFAOYSA-N 1 2 363.425 3.136 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000376841242 499639839 /nfs/dbraw/zinc/63/98/39/499639839.db2.gz GWZIXRJNUJVTGU-LBPRGKRZSA-N 1 2 365.368 3.037 20 30 FGEDLO CN(C(=O)c1cc(C#N)ccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000377154913 499666593 /nfs/dbraw/zinc/66/65/93/499666593.db2.gz OHWIJSRRYTVARG-UHFFFAOYSA-N 1 2 354.841 3.348 20 30 FGEDLO Cc1ccc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cn1 ZINC000377241552 499673173 /nfs/dbraw/zinc/67/31/73/499673173.db2.gz QISCQICPMHMUFV-GOSISDBHSA-N 1 2 366.490 3.308 20 30 FGEDLO Cc1ccc2ncc(C[N@@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400744 499734988 /nfs/dbraw/zinc/73/49/88/499734988.db2.gz KWTDAPYMSAUKTI-WZONZLPQSA-N 1 2 368.440 3.389 20 30 FGEDLO Cc1ccc2ncc(C[N@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400744 499734990 /nfs/dbraw/zinc/73/49/90/499734990.db2.gz KWTDAPYMSAUKTI-WZONZLPQSA-N 1 2 368.440 3.389 20 30 FGEDLO CC[C@H](C)n1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130780 499763051 /nfs/dbraw/zinc/76/30/51/499763051.db2.gz JVGKURHPGMBVQW-DOTOQJQBSA-N 1 2 373.526 3.215 20 30 FGEDLO CC[C@H](C)n1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130780 499763053 /nfs/dbraw/zinc/76/30/53/499763053.db2.gz JVGKURHPGMBVQW-DOTOQJQBSA-N 1 2 373.526 3.215 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2O1 ZINC000429129139 500008706 /nfs/dbraw/zinc/00/87/06/500008706.db2.gz QTXGJMAJWPLHDX-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc2O1 ZINC000429129139 500008709 /nfs/dbraw/zinc/00/87/09/500008709.db2.gz QTXGJMAJWPLHDX-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1cc[nH+]c1 ZINC000425091012 500016505 /nfs/dbraw/zinc/01/65/05/500016505.db2.gz WCKGCRVIHXOFSD-CYBMUJFWSA-N 1 2 350.344 3.233 20 30 FGEDLO C[C@@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@@H]1C(=O)OC(C)(C)C ZINC000425360440 500084191 /nfs/dbraw/zinc/08/41/91/500084191.db2.gz VSEBGZIAGFIHIH-KDOFPFPSSA-N 1 2 354.454 3.148 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000425522318 500132691 /nfs/dbraw/zinc/13/26/91/500132691.db2.gz ARFMHOVODIYOMX-UHFFFAOYSA-N 1 2 369.852 3.441 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000425522318 500132692 /nfs/dbraw/zinc/13/26/92/500132692.db2.gz ARFMHOVODIYOMX-UHFFFAOYSA-N 1 2 369.852 3.441 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000570489606 506178408 /nfs/dbraw/zinc/17/84/08/506178408.db2.gz LQXMJASZBWEHRI-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO Cc1nc(SC[C@@H](O)C[N@H+](C)CCC#N)n(C2CCCCC2)c1C ZINC000414099307 500153467 /nfs/dbraw/zinc/15/34/67/500153467.db2.gz QDDUDMYMCGGSIU-KRWDZBQOSA-N 1 2 350.532 3.304 20 30 FGEDLO Cc1nc(SC[C@@H](O)C[N@@H+](C)CCC#N)n(C2CCCCC2)c1C ZINC000414099307 500153469 /nfs/dbraw/zinc/15/34/69/500153469.db2.gz QDDUDMYMCGGSIU-KRWDZBQOSA-N 1 2 350.532 3.304 20 30 FGEDLO Cn1cc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1C#N ZINC000430227110 500212082 /nfs/dbraw/zinc/21/20/82/500212082.db2.gz QCPDLABQENVWGG-UHFFFAOYSA-N 1 2 372.472 3.234 20 30 FGEDLO Cn1cc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1C#N ZINC000430227110 500212083 /nfs/dbraw/zinc/21/20/83/500212083.db2.gz QCPDLABQENVWGG-UHFFFAOYSA-N 1 2 372.472 3.234 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000430254210 500215523 /nfs/dbraw/zinc/21/55/23/500215523.db2.gz GMIPYOHGZKKIJM-PJIJBLCYSA-N 1 2 366.408 3.318 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000430254210 500215525 /nfs/dbraw/zinc/21/55/25/500215525.db2.gz GMIPYOHGZKKIJM-PJIJBLCYSA-N 1 2 366.408 3.318 20 30 FGEDLO COC1(C(F)(F)F)CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000419352385 500356681 /nfs/dbraw/zinc/35/66/81/500356681.db2.gz PMLCYHCYGNPZLU-LLVKDONJSA-N 1 2 373.375 3.138 20 30 FGEDLO C[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000431705992 500412240 /nfs/dbraw/zinc/41/22/40/500412240.db2.gz AOXHWOMOHRMRAO-BULFRSBZSA-N 1 2 359.473 3.252 20 30 FGEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000424195972 500466898 /nfs/dbraw/zinc/46/68/98/500466898.db2.gz FEMJJXQTJPQCMJ-CYBMUJFWSA-N 1 2 359.451 3.463 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)cc1F ZINC000428452466 500511892 /nfs/dbraw/zinc/51/18/92/500511892.db2.gz BTNZJHWUBUCEDC-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](CC)O1 ZINC000420963976 500542344 /nfs/dbraw/zinc/54/23/44/500542344.db2.gz WHGVYDGCNYODJI-KDURUIRLSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H](CC)O1 ZINC000420963976 500542347 /nfs/dbraw/zinc/54/23/47/500542347.db2.gz WHGVYDGCNYODJI-KDURUIRLSA-N 1 2 357.498 3.440 20 30 FGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747554 500555207 /nfs/dbraw/zinc/55/52/07/500555207.db2.gz NGDVQMADBPWGOX-ROUUACIJSA-N 1 2 364.436 3.199 20 30 FGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747554 500555211 /nfs/dbraw/zinc/55/52/11/500555211.db2.gz NGDVQMADBPWGOX-ROUUACIJSA-N 1 2 364.436 3.199 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298361 500587534 /nfs/dbraw/zinc/58/75/34/500587534.db2.gz GLLVLGJGMOHJQB-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298361 500587535 /nfs/dbraw/zinc/58/75/35/500587535.db2.gz GLLVLGJGMOHJQB-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)c1 ZINC000442809700 500628762 /nfs/dbraw/zinc/62/87/62/500628762.db2.gz KYOMNJPEZAPLAR-UHFFFAOYSA-N 1 2 350.344 3.344 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000433117005 500630129 /nfs/dbraw/zinc/63/01/29/500630129.db2.gz MLRDOGXIQPPHRO-FQEVSTJZSA-N 1 2 363.461 3.230 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000437646539 500675360 /nfs/dbraw/zinc/67/53/60/500675360.db2.gz OYZUNTUDWZVJJC-QFBILLFUSA-N 1 2 356.470 3.015 20 30 FGEDLO C[C@@H](C#N)CN(Cc1cncc(C[N@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668021 506212187 /nfs/dbraw/zinc/21/21/87/506212187.db2.gz BGQUXAZUTBKXAY-CALCHBBNSA-N 1 2 351.498 3.330 20 30 FGEDLO C[C@@H](C#N)CN(Cc1cncc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668021 506212188 /nfs/dbraw/zinc/21/21/88/506212188.db2.gz BGQUXAZUTBKXAY-CALCHBBNSA-N 1 2 351.498 3.330 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](Cc1cncc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668021 506212190 /nfs/dbraw/zinc/21/21/90/506212190.db2.gz BGQUXAZUTBKXAY-CALCHBBNSA-N 1 2 351.498 3.330 20 30 FGEDLO C[C@@H](C#N)C[N@H+](Cc1cncc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668021 506212191 /nfs/dbraw/zinc/21/21/91/506212191.db2.gz BGQUXAZUTBKXAY-CALCHBBNSA-N 1 2 351.498 3.330 20 30 FGEDLO C=CCCS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443724386 500758538 /nfs/dbraw/zinc/75/85/38/500758538.db2.gz YSYZKJKSEORPBE-UHFFFAOYSA-N 1 2 368.502 3.280 20 30 FGEDLO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448920072 500869395 /nfs/dbraw/zinc/86/93/95/500869395.db2.gz FMWJEFGOEDLVDG-UHFFFAOYSA-N 1 2 371.250 3.064 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448954839 500879888 /nfs/dbraw/zinc/87/98/88/500879888.db2.gz KOCVYGSGQKYHDU-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448954839 500879891 /nfs/dbraw/zinc/87/98/91/500879891.db2.gz KOCVYGSGQKYHDU-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000439352862 500888555 /nfs/dbraw/zinc/88/85/55/500888555.db2.gz PSGMANCAWNRPPL-UHFFFAOYSA-N 1 2 365.437 3.015 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444769797 500895768 /nfs/dbraw/zinc/89/57/68/500895768.db2.gz BZWVZFKHSZLISV-INIZCTEOSA-N 1 2 374.916 3.147 20 30 FGEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438327 500897031 /nfs/dbraw/zinc/89/70/31/500897031.db2.gz CNUIGDJVASCTGX-IRXDYDNUSA-N 1 2 367.367 3.007 20 30 FGEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438327 500897033 /nfs/dbraw/zinc/89/70/33/500897033.db2.gz CNUIGDJVASCTGX-IRXDYDNUSA-N 1 2 367.367 3.007 20 30 FGEDLO N#CC[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000439441586 500897403 /nfs/dbraw/zinc/89/74/03/500897403.db2.gz SJKVPIIDZIFPIY-OAHLLOKOSA-N 1 2 371.250 3.096 20 30 FGEDLO N#CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000439441586 500897406 /nfs/dbraw/zinc/89/74/06/500897406.db2.gz SJKVPIIDZIFPIY-OAHLLOKOSA-N 1 2 371.250 3.096 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444786242 500900596 /nfs/dbraw/zinc/90/05/96/500900596.db2.gz SRVNFUYSFVLDGA-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434866011 500904198 /nfs/dbraw/zinc/90/41/98/500904198.db2.gz VCWJHLMPKUHQNE-SMDDNHRTSA-N 1 2 359.426 3.224 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)OC)c1cccc(Br)c1 ZINC000435671811 501008813 /nfs/dbraw/zinc/00/88/13/501008813.db2.gz FTKKSUYCCSUQDS-KBMXLJTQSA-N 1 2 368.271 3.234 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)no1 ZINC000440497271 501015849 /nfs/dbraw/zinc/01/58/49/501015849.db2.gz UULAAEBBZNLYJB-UHFFFAOYSA-N 1 2 372.900 3.190 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000440519827 501018476 /nfs/dbraw/zinc/01/84/76/501018476.db2.gz NNUKEQHLQMEXER-LJQANCHMSA-N 1 2 363.889 3.107 20 30 FGEDLO COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)ccc1C#N ZINC000440802568 501050193 /nfs/dbraw/zinc/05/01/93/501050193.db2.gz DMTGZKQRMHCRMI-LJQANCHMSA-N 1 2 350.397 3.319 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1Cl ZINC000446079475 501070541 /nfs/dbraw/zinc/07/05/41/501070541.db2.gz PLDCINPVPLXBOB-ARFHVFGLSA-N 1 2 363.889 3.393 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1Cl ZINC000446079475 501070546 /nfs/dbraw/zinc/07/05/46/501070546.db2.gz PLDCINPVPLXBOB-ARFHVFGLSA-N 1 2 363.889 3.393 20 30 FGEDLO N#Cc1cc(Cl)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000436259320 501097412 /nfs/dbraw/zinc/09/74/12/501097412.db2.gz JKUKZJTXOFLKPA-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO N#Cc1cc(Cl)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000436259320 501097414 /nfs/dbraw/zinc/09/74/14/501097414.db2.gz JKUKZJTXOFLKPA-RTWAWAEBSA-N 1 2 367.880 3.297 20 30 FGEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000596065285 506238076 /nfs/dbraw/zinc/23/80/76/506238076.db2.gz PMHUHVAOMKFJJS-KRWDZBQOSA-N 1 2 364.367 3.013 20 30 FGEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000450322057 501233824 /nfs/dbraw/zinc/23/38/24/501233824.db2.gz WWZWWIHXPUHGMZ-SCLBCKFNSA-N 1 2 366.292 3.230 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017389 501239426 /nfs/dbraw/zinc/23/94/26/501239426.db2.gz NPSCYUAVYBPQLK-GUYCJALGSA-N 1 2 373.888 3.361 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451017389 501239427 /nfs/dbraw/zinc/23/94/27/501239427.db2.gz NPSCYUAVYBPQLK-GUYCJALGSA-N 1 2 373.888 3.361 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457629087 501271731 /nfs/dbraw/zinc/27/17/31/501271731.db2.gz ZAOFXBSCJQZUEV-UHFFFAOYSA-N 1 2 363.465 3.035 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000457629463 501272058 /nfs/dbraw/zinc/27/20/58/501272058.db2.gz LCPMCOAGAFXXMJ-ICSRJNTNSA-N 1 2 353.466 3.113 20 30 FGEDLO CC(C)([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2n1CCCC2 ZINC000451408115 501285325 /nfs/dbraw/zinc/28/53/25/501285325.db2.gz YMJMFIPPCGIJQB-UHFFFAOYSA-N 1 2 374.286 3.273 20 30 FGEDLO CN(C)c1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[nH+]cc1Br ZINC000455874209 501404341 /nfs/dbraw/zinc/40/43/41/501404341.db2.gz YJNMNMUTUINUPF-QWRGUYRKSA-N 1 2 366.263 3.114 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458387623 501433287 /nfs/dbraw/zinc/43/32/87/501433287.db2.gz XQNHDWNTRYITOH-CQSZACIVSA-N 1 2 364.440 3.168 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458387623 501433291 /nfs/dbraw/zinc/43/32/91/501433291.db2.gz XQNHDWNTRYITOH-CQSZACIVSA-N 1 2 364.440 3.168 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458485843 501455439 /nfs/dbraw/zinc/45/54/39/501455439.db2.gz FGFCSNLAYURGRY-INIZCTEOSA-N 1 2 365.543 3.331 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCC(F)(F)CC3)CC2)cc1 ZINC000598976421 506256570 /nfs/dbraw/zinc/25/65/70/506256570.db2.gz DRKRWKWMMMRGHN-UHFFFAOYSA-N 1 2 361.436 3.418 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000456378430 501512992 /nfs/dbraw/zinc/51/29/92/501512992.db2.gz LJTTYSUERYLAJC-ZUZCIYMTSA-N 1 2 353.451 3.185 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc2n1[C@@H](C)CO ZINC000456697899 501580322 /nfs/dbraw/zinc/58/03/22/501580322.db2.gz DPBKHBAUSMJNQP-AWEZNQCLSA-N 1 2 374.444 3.440 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459427134 501651938 /nfs/dbraw/zinc/65/19/38/501651938.db2.gz AEAQTWKTXMVMJD-QGZVFWFLSA-N 1 2 364.280 3.072 20 30 FGEDLO C=CCOCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000470788968 501803871 /nfs/dbraw/zinc/80/38/71/501803871.db2.gz IMNFEISEOPNBTK-OAHLLOKOSA-N 1 2 356.260 3.188 20 30 FGEDLO C=CCOCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000470788968 501803877 /nfs/dbraw/zinc/80/38/77/501803877.db2.gz IMNFEISEOPNBTK-OAHLLOKOSA-N 1 2 356.260 3.188 20 30 FGEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000467987931 501922783 /nfs/dbraw/zinc/92/27/83/501922783.db2.gz ICEDHGJRRBYPPJ-SFHVURJKSA-N 1 2 371.824 3.273 20 30 FGEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000467987931 501922789 /nfs/dbraw/zinc/92/27/89/501922789.db2.gz ICEDHGJRRBYPPJ-SFHVURJKSA-N 1 2 371.824 3.273 20 30 FGEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nccn1Cc1ccccc1 ZINC000464726931 502075317 /nfs/dbraw/zinc/07/53/17/502075317.db2.gz UBKSMRAOBFUQTK-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nccn1Cc1ccccc1 ZINC000464726931 502075319 /nfs/dbraw/zinc/07/53/19/502075319.db2.gz UBKSMRAOBFUQTK-UHFFFAOYSA-N 1 2 373.460 3.264 20 30 FGEDLO CCOC(=O)c1cnc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000464762129 502084689 /nfs/dbraw/zinc/08/46/89/502084689.db2.gz IMJJBDQVIJQLJT-AWEZNQCLSA-N 1 2 370.478 3.075 20 30 FGEDLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464818282 502104647 /nfs/dbraw/zinc/10/46/47/502104647.db2.gz LECHESWGEAKDQD-SFTDATJTSA-N 1 2 363.461 3.083 20 30 FGEDLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464818282 502104649 /nfs/dbraw/zinc/10/46/49/502104649.db2.gz LECHESWGEAKDQD-SFTDATJTSA-N 1 2 363.461 3.083 20 30 FGEDLO CCOC(=O)c1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000602771562 506293672 /nfs/dbraw/zinc/29/36/72/506293672.db2.gz FCAMBWXONXJKKM-UHFFFAOYSA-N 1 2 371.462 3.235 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479389028 502243987 /nfs/dbraw/zinc/24/39/87/502243987.db2.gz UPLVWUOSKCJZIX-CQSZACIVSA-N 1 2 364.380 3.421 20 30 FGEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000483030974 502251217 /nfs/dbraw/zinc/25/12/17/502251217.db2.gz RBTOYRSIZYTDTO-MRXNPFEDSA-N 1 2 354.429 3.296 20 30 FGEDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000483030974 502251220 /nfs/dbraw/zinc/25/12/20/502251220.db2.gz RBTOYRSIZYTDTO-MRXNPFEDSA-N 1 2 354.429 3.296 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c[nH+]1 ZINC000465535464 502295802 /nfs/dbraw/zinc/29/58/02/502295802.db2.gz YFDFITHJGZHPKU-RTBURBONSA-N 1 2 363.465 3.129 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462123250 502314865 /nfs/dbraw/zinc/31/48/65/502314865.db2.gz XDILSDPCGKANLE-KRWDZBQOSA-N 1 2 363.461 3.441 20 30 FGEDLO CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000487270688 502406027 /nfs/dbraw/zinc/40/60/27/502406027.db2.gz QRYZRQPVCLCKMZ-AQNXPRMDSA-N 1 2 357.498 3.427 20 30 FGEDLO CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[N@H+]1CCO[C@H](CC)C1 ZINC000487270688 502406031 /nfs/dbraw/zinc/40/60/31/502406031.db2.gz QRYZRQPVCLCKMZ-AQNXPRMDSA-N 1 2 357.498 3.427 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472634823 502406481 /nfs/dbraw/zinc/40/64/81/502406481.db2.gz IBXUDMZYBSCJLV-SFTDATJTSA-N 1 2 355.482 3.011 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472634823 502406486 /nfs/dbraw/zinc/40/64/86/502406486.db2.gz IBXUDMZYBSCJLV-SFTDATJTSA-N 1 2 355.482 3.011 20 30 FGEDLO C=CC[N@@H+](Cc1csc(CC)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213377 506314096 /nfs/dbraw/zinc/31/40/96/506314096.db2.gz IKJISKHYKXEBRA-CQSZACIVSA-N 1 2 354.483 3.430 20 30 FGEDLO C=CC[N@H+](Cc1csc(CC)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213377 506314101 /nfs/dbraw/zinc/31/41/01/506314101.db2.gz IKJISKHYKXEBRA-CQSZACIVSA-N 1 2 354.483 3.430 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462574716 502491749 /nfs/dbraw/zinc/49/17/49/502491749.db2.gz NFLXPPNQMQSUHD-OAHLLOKOSA-N 1 2 366.446 3.092 20 30 FGEDLO Cc1cc(Br)cn2cc(CNc3ccc(C#N)c(C)n3)[nH+]c12 ZINC000487748726 502520972 /nfs/dbraw/zinc/52/09/72/502520972.db2.gz JMTZKEVCJCTHGM-UHFFFAOYSA-N 1 2 356.227 3.014 20 30 FGEDLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C#N ZINC000602836983 506320406 /nfs/dbraw/zinc/32/04/06/506320406.db2.gz RKBLDGUXXSXLQP-WBVHZDCISA-N 1 2 353.426 3.118 20 30 FGEDLO OCC(F)(F)C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000466474321 502581274 /nfs/dbraw/zinc/58/12/74/502581274.db2.gz OSHWQSMUXJVGSH-SNVBAGLBSA-N 1 2 367.236 3.276 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267234 502724185 /nfs/dbraw/zinc/72/41/85/502724185.db2.gz QZMZJUHICYOSEO-CJNGLKHVSA-N 1 2 366.868 3.245 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267234 502724190 /nfs/dbraw/zinc/72/41/90/502724190.db2.gz QZMZJUHICYOSEO-CJNGLKHVSA-N 1 2 366.868 3.245 20 30 FGEDLO Cc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000488582798 502756471 /nfs/dbraw/zinc/75/64/71/502756471.db2.gz XCRJDPPURXHZLD-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO N#Cc1cscc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000495345199 502827864 /nfs/dbraw/zinc/82/78/64/502827864.db2.gz LKJLMZCXGDZYJA-UHFFFAOYSA-N 1 2 362.458 3.257 20 30 FGEDLO C=CCCc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000505028634 502841803 /nfs/dbraw/zinc/84/18/03/502841803.db2.gz HFRIRAGPFCWLNK-UHFFFAOYSA-N 1 2 366.465 3.359 20 30 FGEDLO C=CCn1cccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000489074997 502874073 /nfs/dbraw/zinc/87/40/73/502874073.db2.gz NHSALKQIFAXTQP-UHFFFAOYSA-N 1 2 359.227 3.014 20 30 FGEDLO N#C[C@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CCN1Cc1ccccc1 ZINC000505437949 502904398 /nfs/dbraw/zinc/90/43/98/502904398.db2.gz JVCAWLBZOZRKNI-SFHVURJKSA-N 1 2 365.868 3.198 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1OC ZINC000505507175 502920621 /nfs/dbraw/zinc/92/06/21/502920621.db2.gz PWFPEELNCZAPRX-GOSISDBHSA-N 1 2 370.424 3.186 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513593977 502974627 /nfs/dbraw/zinc/97/46/27/502974627.db2.gz KIDMMKOGJIRGDU-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000513593977 502974629 /nfs/dbraw/zinc/97/46/29/502974629.db2.gz KIDMMKOGJIRGDU-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccc(F)cn3)CC2)C1=O ZINC000602904178 506344933 /nfs/dbraw/zinc/34/49/33/506344933.db2.gz NBZOODJESBIYFN-QGZVFWFLSA-N 1 2 370.453 3.139 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3c(F)cccc3F)CC2)nc1 ZINC000602908012 506346061 /nfs/dbraw/zinc/34/60/61/506346061.db2.gz XJTNVCJSMFBDFX-UHFFFAOYSA-N 1 2 356.376 3.050 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000509951600 503017903 /nfs/dbraw/zinc/01/79/03/503017903.db2.gz ICHUIHJSTBXZLJ-HNAYVOBHSA-N 1 2 350.890 3.259 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000509951600 503017906 /nfs/dbraw/zinc/01/79/06/503017906.db2.gz ICHUIHJSTBXZLJ-HNAYVOBHSA-N 1 2 350.890 3.259 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)Cc3c(F)cccc3C#N)c[nH+]2)CC1 ZINC000506328003 503095079 /nfs/dbraw/zinc/09/50/79/503095079.db2.gz XXUGGLBTOCGPQV-UHFFFAOYSA-N 1 2 366.440 3.188 20 30 FGEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000506357282 503100367 /nfs/dbraw/zinc/10/03/67/503100367.db2.gz PXSQECLDWDLIEU-UHFFFAOYSA-N 1 2 366.421 3.187 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000510429055 503112838 /nfs/dbraw/zinc/11/28/38/503112838.db2.gz UKXKMDACKPKLSW-INIZCTEOSA-N 1 2 370.472 3.183 20 30 FGEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)ccc1Br ZINC000510939330 503220694 /nfs/dbraw/zinc/22/06/94/503220694.db2.gz YZUNRQRBTRRYHA-GFCCVEGCSA-N 1 2 368.250 3.412 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(F)(C#N)CC1 ZINC000510939739 503221778 /nfs/dbraw/zinc/22/17/78/503221778.db2.gz ZKKPZUCWBJRVPY-LBPRGKRZSA-N 1 2 355.816 3.154 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000491605293 503323721 /nfs/dbraw/zinc/32/37/21/503323721.db2.gz ULBGTHREYUSCEZ-HNNXBMFYSA-N 1 2 367.193 3.422 20 30 FGEDLO C=CCCCCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000515495837 503351179 /nfs/dbraw/zinc/35/11/79/503351179.db2.gz JLJKVJFHCDJUQE-UHFFFAOYSA-N 1 2 372.513 3.219 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000499557551 503431220 /nfs/dbraw/zinc/43/12/20/503431220.db2.gz KEAQQWAHDRMBNC-UHFFFAOYSA-N 1 2 366.469 3.400 20 30 FGEDLO CN(Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982890 506372327 /nfs/dbraw/zinc/37/23/27/506372327.db2.gz ZOYIESHTJDFHJN-XRXFAXGQSA-N 1 2 351.498 3.330 20 30 FGEDLO CN(Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982890 506372329 /nfs/dbraw/zinc/37/23/29/506372329.db2.gz ZOYIESHTJDFHJN-XRXFAXGQSA-N 1 2 351.498 3.330 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000503695814 503461327 /nfs/dbraw/zinc/46/13/27/503461327.db2.gz KUJVJXIRWSXXCY-IRXDYDNUSA-N 1 2 365.399 3.181 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000503695808 503461478 /nfs/dbraw/zinc/46/14/78/503461478.db2.gz KUJVJXIRWSXXCY-DLBZAZTESA-N 1 2 365.399 3.181 20 30 FGEDLO C=CCN1CC[C@H]([NH+]2CCC(c3ccccc3Br)CC2)C1=O ZINC000499721665 503466873 /nfs/dbraw/zinc/46/68/73/503466873.db2.gz WWZUUAQMINUUGW-KRWDZBQOSA-N 1 2 363.299 3.415 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2Cl)C1=O ZINC000499734853 503470163 /nfs/dbraw/zinc/47/01/63/503470163.db2.gz SDIIJERSRDXDDU-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2Cl)C1=O ZINC000499734853 503470166 /nfs/dbraw/zinc/47/01/66/503470166.db2.gz SDIIJERSRDXDDU-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000512212359 503487603 /nfs/dbraw/zinc/48/76/03/503487603.db2.gz NMSIXIAWCMIYAY-CQSZACIVSA-N 1 2 371.437 3.259 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000512212359 503487607 /nfs/dbraw/zinc/48/76/07/503487607.db2.gz NMSIXIAWCMIYAY-CQSZACIVSA-N 1 2 371.437 3.259 20 30 FGEDLO C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508480203 503502486 /nfs/dbraw/zinc/50/24/86/503502486.db2.gz DLNRGWKKBLRULR-UHFFFAOYSA-N 1 2 369.494 3.032 20 30 FGEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000499959584 503522178 /nfs/dbraw/zinc/52/21/78/503522178.db2.gz XZGWROYKHXFHTM-ZBEGNZNMSA-N 1 2 361.804 3.001 20 30 FGEDLO COc1cccc(C2(F)CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000500155274 503565935 /nfs/dbraw/zinc/56/59/35/503565935.db2.gz BEFJGNUFYIYSDL-LJQANCHMSA-N 1 2 367.424 3.054 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000512516294 503574627 /nfs/dbraw/zinc/57/46/27/503574627.db2.gz DJNQNPABLLGYFB-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000512516294 503574635 /nfs/dbraw/zinc/57/46/35/503574635.db2.gz DJNQNPABLLGYFB-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1cccc(C)c1)Cc1cnn(C(C)C)c1 ZINC000512526993 503576497 /nfs/dbraw/zinc/57/64/97/503576497.db2.gz MMAQETXVHZQIEU-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1cnn(C(C)C)c1 ZINC000512526993 503576503 /nfs/dbraw/zinc/57/65/03/503576503.db2.gz MMAQETXVHZQIEU-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1cnn(C(C)C)c1 ZINC000512542457 503580114 /nfs/dbraw/zinc/58/01/14/503580114.db2.gz PLDNEFILDHLXMU-UHFFFAOYSA-N 1 2 366.509 3.427 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1cnn(C(C)C)c1 ZINC000512542457 503580121 /nfs/dbraw/zinc/58/01/21/503580121.db2.gz PLDNEFILDHLXMU-UHFFFAOYSA-N 1 2 366.509 3.427 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000494709746 503599006 /nfs/dbraw/zinc/59/90/06/503599006.db2.gz OMGZQWNXFRYQMY-VQTJNVASSA-N 1 2 357.498 3.118 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)n1 ZINC000546213177 503672558 /nfs/dbraw/zinc/67/25/58/503672558.db2.gz CPENGODLCXHORE-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)c(F)c1 ZINC000540426047 503768199 /nfs/dbraw/zinc/76/81/99/503768199.db2.gz SIKILCBREOUHHF-QGZVFWFLSA-N 1 2 370.359 3.364 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000540470902 503780606 /nfs/dbraw/zinc/78/06/06/503780606.db2.gz VNZJMIVVTLAXII-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 ZINC000543510114 503798604 /nfs/dbraw/zinc/79/86/04/503798604.db2.gz ZCMKSATUDPVADS-LBPRGKRZSA-N 1 2 370.457 3.072 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000517661782 503799442 /nfs/dbraw/zinc/79/94/42/503799442.db2.gz KAOXJTNOQODXQQ-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000517661782 503799447 /nfs/dbraw/zinc/79/94/47/503799447.db2.gz KAOXJTNOQODXQQ-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO Cc1ccnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000543906724 503937132 /nfs/dbraw/zinc/93/71/32/503937132.db2.gz FQMDZLQOMFXNKV-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(CC#N)CC3)sc2c1 ZINC000541024920 503979228 /nfs/dbraw/zinc/97/92/28/503979228.db2.gz UIZWFRNOKQAHIZ-UHFFFAOYSA-N 1 2 358.467 3.259 20 30 FGEDLO COC(=O)C[N@H+](CCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000530502734 503989753 /nfs/dbraw/zinc/98/97/53/503989753.db2.gz AKDZDMHXCUYDSG-UHFFFAOYSA-N 1 2 353.260 3.364 20 30 FGEDLO COC(=O)C[N@@H+](CCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000530502734 503989759 /nfs/dbraw/zinc/98/97/59/503989759.db2.gz AKDZDMHXCUYDSG-UHFFFAOYSA-N 1 2 353.260 3.364 20 30 FGEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000538150756 504146154 /nfs/dbraw/zinc/14/61/54/504146154.db2.gz LMJFNCDKPLYXSP-NVXWUHKLSA-N 1 2 359.376 3.427 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000541700857 504226259 /nfs/dbraw/zinc/22/62/59/504226259.db2.gz FETXVXIUMJCJPN-FQEVSTJZSA-N 1 2 369.509 3.005 20 30 FGEDLO CN(C(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000541700857 504226264 /nfs/dbraw/zinc/22/62/64/504226264.db2.gz FETXVXIUMJCJPN-FQEVSTJZSA-N 1 2 369.509 3.005 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2ccncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000547825013 504238118 /nfs/dbraw/zinc/23/81/18/504238118.db2.gz YLXUEQSKFLHTEB-IBGZPJMESA-N 1 2 370.884 3.293 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2ccncc2C#N)c2ccc(Cl)cc2)CCO1 ZINC000547825013 504238125 /nfs/dbraw/zinc/23/81/25/504238125.db2.gz YLXUEQSKFLHTEB-IBGZPJMESA-N 1 2 370.884 3.293 20 30 FGEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000528521421 504259030 /nfs/dbraw/zinc/25/90/30/504259030.db2.gz SRZOEYHCNVEKEF-LJQANCHMSA-N 1 2 360.413 3.106 20 30 FGEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000528521421 504259033 /nfs/dbraw/zinc/25/90/33/504259033.db2.gz SRZOEYHCNVEKEF-LJQANCHMSA-N 1 2 360.413 3.106 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc(C#N)c3)n2)C1 ZINC000531384716 504288248 /nfs/dbraw/zinc/28/82/48/504288248.db2.gz ZWZBUIHTDFVCLL-CQSZACIVSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc(C#N)c3)n2)C1 ZINC000531384716 504288253 /nfs/dbraw/zinc/28/82/53/504288253.db2.gz ZWZBUIHTDFVCLL-CQSZACIVSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000531384939 504288976 /nfs/dbraw/zinc/28/89/76/504288976.db2.gz SUINNZKEXCKMLN-CALCHBBNSA-N 1 2 363.461 3.349 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000531384939 504288978 /nfs/dbraw/zinc/28/89/78/504288978.db2.gz SUINNZKEXCKMLN-CALCHBBNSA-N 1 2 363.461 3.349 20 30 FGEDLO N#CCc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000519851847 504364852 /nfs/dbraw/zinc/36/48/52/504364852.db2.gz WQILSEKTQDCBIA-UHFFFAOYSA-N 1 2 373.416 3.230 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528760738 504367623 /nfs/dbraw/zinc/36/76/23/504367623.db2.gz AFAOZWUUDHOTJR-INIZCTEOSA-N 1 2 373.460 3.189 20 30 FGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1F ZINC000548408264 504434421 /nfs/dbraw/zinc/43/44/21/504434421.db2.gz XVXPFCPLNGHRQU-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CC1 ZINC000545378748 504466158 /nfs/dbraw/zinc/46/61/58/504466158.db2.gz VZEMKMLBFSWJKB-UHFFFAOYSA-N 1 2 365.462 3.009 20 30 FGEDLO COCc1ccc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1C#N ZINC000529210569 504585904 /nfs/dbraw/zinc/58/59/04/504585904.db2.gz CRQVJGYFJXULIE-UHFFFAOYSA-N 1 2 367.453 3.152 20 30 FGEDLO N#CC1(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000539494036 504588543 /nfs/dbraw/zinc/58/85/43/504588543.db2.gz VKPJYAYRIFPORJ-HNNXBMFYSA-N 1 2 351.372 3.262 20 30 FGEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000548913167 504617090 /nfs/dbraw/zinc/61/70/90/504617090.db2.gz KDAKQTNWIYFHFK-AWEZNQCLSA-N 1 2 361.440 3.188 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(CC#N)cc3)CC2)s1 ZINC000536195585 504664139 /nfs/dbraw/zinc/66/41/39/504664139.db2.gz AFKMNSNGOICICW-UHFFFAOYSA-N 1 2 353.491 3.335 20 30 FGEDLO C=CC[C@H](CO)NC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000545991265 504666995 /nfs/dbraw/zinc/66/69/95/504666995.db2.gz LUARBSDGFCFZMY-OAHLLOKOSA-N 1 2 367.474 3.293 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549079018 504677020 /nfs/dbraw/zinc/67/70/20/504677020.db2.gz SMZQDGJOYQDQKC-RDJZCZTQSA-N 1 2 365.424 3.252 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000549079018 504677025 /nfs/dbraw/zinc/67/70/25/504677025.db2.gz SMZQDGJOYQDQKC-RDJZCZTQSA-N 1 2 365.424 3.252 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000559162743 504794826 /nfs/dbraw/zinc/79/48/26/504794826.db2.gz LMZIPKTWNIRJBL-SFHVURJKSA-N 1 2 369.490 3.421 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000559162743 504794828 /nfs/dbraw/zinc/79/48/28/504794828.db2.gz LMZIPKTWNIRJBL-SFHVURJKSA-N 1 2 369.490 3.421 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000559350508 504843842 /nfs/dbraw/zinc/84/38/42/504843842.db2.gz MZLNVWLLDIMUAT-GOEBONIOSA-N 1 2 350.466 3.304 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000559350508 504843846 /nfs/dbraw/zinc/84/38/46/504843846.db2.gz MZLNVWLLDIMUAT-GOEBONIOSA-N 1 2 350.466 3.304 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000559350596 504844077 /nfs/dbraw/zinc/84/40/77/504844077.db2.gz OYOQQHWJLBGCKW-HIFRSBDPSA-N 1 2 368.456 3.443 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000559350596 504844080 /nfs/dbraw/zinc/84/40/80/504844080.db2.gz OYOQQHWJLBGCKW-HIFRSBDPSA-N 1 2 368.456 3.443 20 30 FGEDLO CCc1oc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C(=O)OC ZINC000549781159 504897460 /nfs/dbraw/zinc/89/74/60/504897460.db2.gz BQOYPKWJMUUJMN-LJQANCHMSA-N 1 2 367.449 3.011 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000565493559 504904315 /nfs/dbraw/zinc/90/43/15/504904315.db2.gz QUSJWNHXTMEQSG-CQSZACIVSA-N 1 2 355.360 3.306 20 30 FGEDLO Cc1cccc(COc2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)c1 ZINC000563006322 505017440 /nfs/dbraw/zinc/01/74/40/505017440.db2.gz XVXYUEFISDONIJ-FQEVSTJZSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1cccc(COc2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)c1 ZINC000563006322 505017444 /nfs/dbraw/zinc/01/74/44/505017444.db2.gz XVXYUEFISDONIJ-FQEVSTJZSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550502528 505054932 /nfs/dbraw/zinc/05/49/32/505054932.db2.gz KFESZZMAOOVEQO-NRFANRHFSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550502528 505054937 /nfs/dbraw/zinc/05/49/37/505054937.db2.gz KFESZZMAOOVEQO-NRFANRHFSA-N 1 2 369.509 3.441 20 30 FGEDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Br)cc3C#N)CC2)c1 ZINC000554238547 505122903 /nfs/dbraw/zinc/12/29/03/505122903.db2.gz KBNSLKMCTSJMRJ-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1C#N ZINC000552030535 505375506 /nfs/dbraw/zinc/37/55/06/505375506.db2.gz SYVKLXAVTLIZBA-UHFFFAOYSA-N 1 2 367.424 3.196 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCCN(c3ccccc3F)CC2)c1C#N ZINC000552030535 505375510 /nfs/dbraw/zinc/37/55/10/505375510.db2.gz SYVKLXAVTLIZBA-UHFFFAOYSA-N 1 2 367.424 3.196 20 30 FGEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000567318147 505425695 /nfs/dbraw/zinc/42/56/95/505425695.db2.gz VGVCYUHMCONFSM-GOSISDBHSA-N 1 2 371.308 3.007 20 30 FGEDLO Cc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000567356786 505440163 /nfs/dbraw/zinc/44/01/63/505440163.db2.gz WHTKVSSHHWXBFD-QFIPXVFZSA-N 1 2 362.477 3.201 20 30 FGEDLO Cc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000567356786 505440165 /nfs/dbraw/zinc/44/01/65/505440165.db2.gz WHTKVSSHHWXBFD-QFIPXVFZSA-N 1 2 362.477 3.201 20 30 FGEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558627699 505443962 /nfs/dbraw/zinc/44/39/62/505443962.db2.gz RQJPWIXKBOOWOK-GOSISDBHSA-N 1 2 362.477 3.158 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000567533536 505490762 /nfs/dbraw/zinc/49/07/62/505490762.db2.gz LLROUEHBDNRZOX-MRXNPFEDSA-N 1 2 350.890 3.274 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069321 506407747 /nfs/dbraw/zinc/40/77/47/506407747.db2.gz ARGWVWHJDWMUPX-UHFFFAOYSA-N 1 2 355.295 3.120 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599395271 506440829 /nfs/dbraw/zinc/44/08/29/506440829.db2.gz AWTGEWDNVDYINU-HXUWFJFHSA-N 1 2 356.853 3.365 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599395271 506440840 /nfs/dbraw/zinc/44/08/40/506440840.db2.gz AWTGEWDNVDYINU-HXUWFJFHSA-N 1 2 356.853 3.365 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)c[nH+]2)CC1 ZINC000612108639 506441238 /nfs/dbraw/zinc/44/12/38/506441238.db2.gz UUKODFABVDIVKU-FQEVSTJZSA-N 1 2 355.486 3.153 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612149606 506461883 /nfs/dbraw/zinc/46/18/83/506461883.db2.gz WOENPXCNMFEAPM-YQVWRLOYSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612149606 506461887 /nfs/dbraw/zinc/46/18/87/506461887.db2.gz WOENPXCNMFEAPM-YQVWRLOYSA-N 1 2 362.424 3.045 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589187362 506475084 /nfs/dbraw/zinc/47/50/84/506475084.db2.gz YRQJVJUHNLKSFO-CQSZACIVSA-N 1 2 369.852 3.436 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603292031 506478704 /nfs/dbraw/zinc/47/87/04/506478704.db2.gz GUBIUKBRNDUQMM-KRWDZBQOSA-N 1 2 358.449 3.022 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589276228 506505162 /nfs/dbraw/zinc/50/51/62/506505162.db2.gz KHKJRNXIXZNANE-GHMZBOCLSA-N 1 2 353.438 3.413 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589276228 506505169 /nfs/dbraw/zinc/50/51/69/506505169.db2.gz KHKJRNXIXZNANE-GHMZBOCLSA-N 1 2 353.438 3.413 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(F)c1 ZINC000593303583 506525873 /nfs/dbraw/zinc/52/58/73/506525873.db2.gz XKYWGYJCCNQZCD-INIZCTEOSA-N 1 2 355.417 3.032 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000596725623 506562247 /nfs/dbraw/zinc/56/22/47/506562247.db2.gz CLRHSCPTYYGHBV-IAGOWNOFSA-N 1 2 356.470 3.237 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000593413064 506607382 /nfs/dbraw/zinc/60/73/82/506607382.db2.gz UGEHCYBBQRXPAP-BZSNNMDCSA-N 1 2 351.454 3.085 20 30 FGEDLO C[C@H]1CN(c2ccc(CNC(=O)CC3(C#N)CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000596806624 506608984 /nfs/dbraw/zinc/60/89/84/506608984.db2.gz ODERDSIGJCNMBG-IRXDYDNUSA-N 1 2 370.497 3.176 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000593465362 506635387 /nfs/dbraw/zinc/63/53/87/506635387.db2.gz QRDCSFGIMAEJPU-YLJYHZDGSA-N 1 2 351.454 3.039 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599813560 506652768 /nfs/dbraw/zinc/65/27/68/506652768.db2.gz JFIMGYCHMQMSHU-UHFFFAOYSA-N 1 2 373.432 3.409 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000589820895 506654052 /nfs/dbraw/zinc/65/40/52/506654052.db2.gz HSZLEONHQNOJBK-QGZVFWFLSA-N 1 2 361.779 3.385 20 30 FGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000608856926 506727556 /nfs/dbraw/zinc/72/75/56/506727556.db2.gz JNKAAFNWJGAHKJ-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 ZINC000583348608 506728988 /nfs/dbraw/zinc/72/89/88/506728988.db2.gz XPNPJTLBZKKGMX-UHFFFAOYSA-N 1 2 363.421 3.086 20 30 FGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1cc(C#N)ccc1F ZINC000608993051 506760001 /nfs/dbraw/zinc/76/00/01/506760001.db2.gz KZPWNOWUMBAEIX-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1cc(C#N)ccc1F ZINC000608993051 506760007 /nfs/dbraw/zinc/76/00/07/506760007.db2.gz KZPWNOWUMBAEIX-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000593936403 506835516 /nfs/dbraw/zinc/83/55/16/506835516.db2.gz AWDDMIGAXJHQBI-HNNXBMFYSA-N 1 2 363.490 3.442 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4cc(C(F)(F)F)ccc4C3)cnc12 ZINC000600205375 506844312 /nfs/dbraw/zinc/84/43/12/506844312.db2.gz QVNJCTNOAABKIV-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCc4cc(C(F)(F)F)ccc4C3)cnc12 ZINC000600205375 506844313 /nfs/dbraw/zinc/84/43/13/506844313.db2.gz QVNJCTNOAABKIV-UHFFFAOYSA-N 1 2 357.339 3.178 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000594011799 506881816 /nfs/dbraw/zinc/88/18/16/506881816.db2.gz USCDNASGBQMINH-FXAWDEMLSA-N 1 2 365.433 3.055 20 30 FGEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486345 506895803 /nfs/dbraw/zinc/89/58/03/506895803.db2.gz IOHJBUBHBKOPNE-SFHVURJKSA-N 1 2 360.458 3.048 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000609516621 506906808 /nfs/dbraw/zinc/90/68/08/506906808.db2.gz YOAYYNXYZCOXQW-UHFFFAOYSA-N 1 2 365.433 3.041 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059601 506913772 /nfs/dbraw/zinc/91/37/72/506913772.db2.gz XFZBGHCFYBDIJX-GDBMZVCRSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059601 506913778 /nfs/dbraw/zinc/91/37/78/506913778.db2.gz XFZBGHCFYBDIJX-GDBMZVCRSA-N 1 2 359.495 3.149 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000609624871 506951218 /nfs/dbraw/zinc/95/12/18/506951218.db2.gz QYVUGQARJXAFAR-UHFFFAOYSA-N 1 2 358.401 3.031 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)CC1(C#N)CCOCC1 ZINC000597434857 506952357 /nfs/dbraw/zinc/95/23/57/506952357.db2.gz FIWGFBRELALMKU-KRWDZBQOSA-N 1 2 366.465 3.046 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C(N)=O)cc1 ZINC000609676620 506972292 /nfs/dbraw/zinc/97/22/92/506972292.db2.gz VRJKWLGPNOHOAP-HXUWFJFHSA-N 1 2 358.401 3.062 20 30 FGEDLO N#Cc1c(F)cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000597492104 506978089 /nfs/dbraw/zinc/97/80/89/506978089.db2.gz WKJBDHWHZPOBFG-UHFFFAOYSA-N 1 2 358.392 3.366 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597513828 506985974 /nfs/dbraw/zinc/98/59/74/506985974.db2.gz KXNSWZQTVALUHJ-LBPRGKRZSA-N 1 2 361.417 3.417 20 30 FGEDLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000590955354 507059708 /nfs/dbraw/zinc/05/97/08/507059708.db2.gz OGDXIWVRJCDNIO-SFHVURJKSA-N 1 2 367.405 3.497 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000613410694 507074482 /nfs/dbraw/zinc/07/44/82/507074482.db2.gz WBARVAURZOADDR-UHFFFAOYSA-N 1 2 351.454 3.094 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000613411265 507074798 /nfs/dbraw/zinc/07/47/98/507074798.db2.gz BMSRSWQZUDLPHX-UHFFFAOYSA-N 1 2 351.454 3.094 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1C#N ZINC000591045361 507091228 /nfs/dbraw/zinc/09/12/28/507091228.db2.gz PTDQBBBEILLCJN-CTNGQTDRSA-N 1 2 358.445 3.360 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1C#N ZINC000591045361 507091233 /nfs/dbraw/zinc/09/12/33/507091233.db2.gz PTDQBBBEILLCJN-CTNGQTDRSA-N 1 2 358.445 3.360 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000591051138 507093325 /nfs/dbraw/zinc/09/33/25/507093325.db2.gz ORGJPLAJYPFWMD-NRFANRHFSA-N 1 2 361.445 3.350 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000591051138 507093330 /nfs/dbraw/zinc/09/33/30/507093330.db2.gz ORGJPLAJYPFWMD-NRFANRHFSA-N 1 2 361.445 3.350 20 30 FGEDLO CC[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000610139032 507115050 /nfs/dbraw/zinc/11/50/50/507115050.db2.gz DWBOKNXPGHZIDI-PXNSSMCTSA-N 1 2 354.498 3.354 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304384 507185803 /nfs/dbraw/zinc/18/58/03/507185803.db2.gz XOGWUCTXQYKFPH-VQIMIIECSA-N 1 2 374.444 3.159 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)ccc2n1C ZINC000610310314 507187089 /nfs/dbraw/zinc/18/70/89/507187089.db2.gz MJMSUFKQZBLFRG-HXUWFJFHSA-N 1 2 359.433 3.361 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000610348429 507205494 /nfs/dbraw/zinc/20/54/94/507205494.db2.gz LQCIYPZSYNYCMT-LJQANCHMSA-N 1 2 359.433 3.075 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000610348428 507205530 /nfs/dbraw/zinc/20/55/30/507205530.db2.gz LQCIYPZSYNYCMT-IBGZPJMESA-N 1 2 359.433 3.075 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000613749171 507241331 /nfs/dbraw/zinc/24/13/31/507241331.db2.gz NSNZUQXEXKJSPK-UHFFFAOYSA-N 1 2 368.506 3.150 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000613749171 507241339 /nfs/dbraw/zinc/24/13/39/507241339.db2.gz NSNZUQXEXKJSPK-UHFFFAOYSA-N 1 2 368.506 3.150 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000610505192 507268580 /nfs/dbraw/zinc/26/85/80/507268580.db2.gz AZDVOCGEAGZOAJ-LJQANCHMSA-N 1 2 354.475 3.415 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000610505192 507268582 /nfs/dbraw/zinc/26/85/82/507268582.db2.gz AZDVOCGEAGZOAJ-LJQANCHMSA-N 1 2 354.475 3.415 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604673 507317329 /nfs/dbraw/zinc/31/73/29/507317329.db2.gz ZWWLWRBHQJAENA-PRULPYPASA-N 1 2 373.341 3.102 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NCC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595090670 507386129 /nfs/dbraw/zinc/38/61/29/507386129.db2.gz KPNKDFQWGUBYDM-KRWDZBQOSA-N 1 2 353.426 3.481 20 30 FGEDLO Cc1cccc(C)c1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610967898 507457641 /nfs/dbraw/zinc/45/76/41/507457641.db2.gz VSQIYDYDDODVQG-UHFFFAOYSA-N 1 2 366.465 3.242 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000595311668 507457897 /nfs/dbraw/zinc/45/78/97/507457897.db2.gz FFHGMOWCDDLXFA-VQTJNVASSA-N 1 2 355.869 3.256 20 30 FGEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)cc1 ZINC000595333219 507464544 /nfs/dbraw/zinc/46/45/44/507464544.db2.gz SGZNYVZFBPRMGH-UHFFFAOYSA-N 1 2 365.458 3.366 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000598584806 507506427 /nfs/dbraw/zinc/50/64/27/507506427.db2.gz WBVMFJHZUMEOHG-QGZVFWFLSA-N 1 2 369.431 3.124 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146567 507508918 /nfs/dbraw/zinc/50/89/18/507508918.db2.gz JKWSLAYSURCHRL-RBBKRZOGSA-N 1 2 363.461 3.334 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146567 507508923 /nfs/dbraw/zinc/50/89/23/507508923.db2.gz JKWSLAYSURCHRL-RBBKRZOGSA-N 1 2 363.461 3.334 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1F ZINC000611089123 507510607 /nfs/dbraw/zinc/51/06/07/507510607.db2.gz XMMCDJIGSHEOQC-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1F ZINC000611089123 507510613 /nfs/dbraw/zinc/51/06/13/507510613.db2.gz XMMCDJIGSHEOQC-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000598603796 507514323 /nfs/dbraw/zinc/51/43/23/507514323.db2.gz KFLIVVHFWGSWCR-CZUORRHYSA-N 1 2 356.388 3.379 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000598603796 507514327 /nfs/dbraw/zinc/51/43/27/507514327.db2.gz KFLIVVHFWGSWCR-CZUORRHYSA-N 1 2 356.388 3.379 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000598604609 507516608 /nfs/dbraw/zinc/51/66/08/507516608.db2.gz OEVHPGSXJFAQFH-LLVKDONJSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000598604609 507516618 /nfs/dbraw/zinc/51/66/18/507516618.db2.gz OEVHPGSXJFAQFH-LLVKDONJSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617470 507519678 /nfs/dbraw/zinc/51/96/78/507519678.db2.gz RXUCEJLJAPEGRC-GDBMZVCRSA-N 1 2 372.387 3.259 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617470 507519683 /nfs/dbraw/zinc/51/96/83/507519683.db2.gz RXUCEJLJAPEGRC-GDBMZVCRSA-N 1 2 372.387 3.259 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000611143921 507533171 /nfs/dbraw/zinc/53/31/71/507533171.db2.gz MFACTDIMJFKZQB-UHFFFAOYSA-N 1 2 363.461 3.028 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598673217 507545354 /nfs/dbraw/zinc/54/53/54/507545354.db2.gz WQQGGZRNCYYWDI-UHFFFAOYSA-N 1 2 372.465 3.275 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598673217 507545358 /nfs/dbraw/zinc/54/53/58/507545358.db2.gz WQQGGZRNCYYWDI-UHFFFAOYSA-N 1 2 372.465 3.275 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000592263714 507569285 /nfs/dbraw/zinc/56/92/85/507569285.db2.gz WCBBIHRTFGHYNV-UHFFFAOYSA-N 1 2 369.856 3.265 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000595621528 507597340 /nfs/dbraw/zinc/59/73/40/507597340.db2.gz VZMDQRUGXKSEDG-OAHLLOKOSA-N 1 2 354.479 3.199 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000595621528 507597345 /nfs/dbraw/zinc/59/73/45/507597345.db2.gz VZMDQRUGXKSEDG-OAHLLOKOSA-N 1 2 354.479 3.199 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623442 507598368 /nfs/dbraw/zinc/59/83/68/507598368.db2.gz PJUZCYWUUOVLSF-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623442 507598375 /nfs/dbraw/zinc/59/83/75/507598375.db2.gz PJUZCYWUUOVLSF-LBPRGKRZSA-N 1 2 351.244 3.361 20 30 FGEDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629960 507601953 /nfs/dbraw/zinc/60/19/53/507601953.db2.gz BEXABUUEMQQESE-UHFFFAOYSA-N 1 2 372.450 3.249 20 30 FGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631610 507604255 /nfs/dbraw/zinc/60/42/55/507604255.db2.gz FVRQIIQQNAAHIR-MRXNPFEDSA-N 1 2 372.538 3.137 20 30 FGEDLO CCCc1c(NC(=O)Cc2[nH]cc(CC)[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000602143291 507605120 /nfs/dbraw/zinc/60/51/20/507605120.db2.gz SBQYYRMVXFIJRR-UHFFFAOYSA-N 1 2 362.437 3.163 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)COC ZINC000595638583 507606913 /nfs/dbraw/zinc/60/69/13/507606913.db2.gz IOIJRRNJFXXRIK-CQSZACIVSA-N 1 2 361.511 3.350 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)COC ZINC000595638583 507606920 /nfs/dbraw/zinc/60/69/20/507606920.db2.gz IOIJRRNJFXXRIK-CQSZACIVSA-N 1 2 361.511 3.350 20 30 FGEDLO Cc1nn(-c2ccccc2)c(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1C#N ZINC000611347513 507631745 /nfs/dbraw/zinc/63/17/45/507631745.db2.gz FNJVGURFLMCBLA-UHFFFAOYSA-N 1 2 372.476 3.078 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nc1 ZINC000595732536 507653835 /nfs/dbraw/zinc/65/38/35/507653835.db2.gz JEXGAJJRXWWGRV-UHFFFAOYSA-N 1 2 372.476 3.228 20 30 FGEDLO C[C@H]([NH2+]Cc1ncc(I)s1)c1cccc(C#N)c1 ZINC000586778302 507668930 /nfs/dbraw/zinc/66/89/30/507668930.db2.gz IMYXMUGZLBVVLW-VIFPVBQESA-N 1 2 369.231 3.470 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595758899 507671387 /nfs/dbraw/zinc/67/13/87/507671387.db2.gz KBUJICRXUNZZFG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595758899 507671388 /nfs/dbraw/zinc/67/13/88/507671388.db2.gz KBUJICRXUNZZFG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587066626 507705118 /nfs/dbraw/zinc/70/51/18/507705118.db2.gz USUBJEYFTFWTRH-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)s1 ZINC000611550252 507733681 /nfs/dbraw/zinc/73/36/81/507733681.db2.gz BEHNZJNDPLWVBO-KRWDZBQOSA-N 1 2 373.453 3.056 20 30 FGEDLO COCCN(CCC#N)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000611559125 507738904 /nfs/dbraw/zinc/73/89/04/507738904.db2.gz NAZOPXZUOCLKBV-INIZCTEOSA-N 1 2 359.474 3.163 20 30 FGEDLO CC(C)(CNc1nc2c(c(C#N)c1C#N)CCCCCC2)[NH+]1CCOCC1 ZINC000479848529 561198196 /nfs/dbraw/zinc/19/81/96/561198196.db2.gz FRMNBLOBVJLDDM-UHFFFAOYSA-N 1 2 367.497 3.007 20 30 FGEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745514 606766397 /nfs/dbraw/zinc/76/63/97/606766397.db2.gz HAPBPOUAYIQQHW-UHFFFAOYSA-N 1 2 364.384 3.335 20 30 FGEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745514 606766399 /nfs/dbraw/zinc/76/63/99/606766399.db2.gz HAPBPOUAYIQQHW-UHFFFAOYSA-N 1 2 364.384 3.335 20 30 FGEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067412 700506731 /nfs/dbraw/zinc/50/67/31/700506731.db2.gz YMXRPEMIWDFKIG-UHFFFAOYSA-N 1 2 361.829 3.209 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C(C)(C)C)cs2)cc1OC ZINC000120864271 700661406 /nfs/dbraw/zinc/66/14/06/700661406.db2.gz FEXIYMPFGLTHPP-UHFFFAOYSA-N 1 2 363.483 3.489 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000137529893 704870315 /nfs/dbraw/zinc/87/03/15/704870315.db2.gz FDMWKCCHJSHMKF-NTCAYCPXSA-N 1 2 356.775 3.063 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161893125 705285487 /nfs/dbraw/zinc/28/54/87/705285487.db2.gz ICSMPTRDIXJWOV-HNNXBMFYSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000161893125 705285489 /nfs/dbraw/zinc/28/54/89/705285489.db2.gz ICSMPTRDIXJWOV-HNNXBMFYSA-N 1 2 358.515 3.383 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2sc(C)c(C)c2C)cc1 ZINC000174124157 705488301 /nfs/dbraw/zinc/48/83/01/705488301.db2.gz HPOKMKAYPOOHPS-UHFFFAOYSA-N 1 2 361.467 3.152 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174726322 705516341 /nfs/dbraw/zinc/51/63/41/705516341.db2.gz JFDXUBRNKCNUMC-LJQANCHMSA-N 1 2 359.832 3.206 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000176094389 705571598 /nfs/dbraw/zinc/57/15/98/705571598.db2.gz JNQVENZOJCCZAS-QGZVFWFLSA-N 1 2 358.511 3.117 20 30 FGEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000176094389 705571605 /nfs/dbraw/zinc/57/16/05/705571605.db2.gz JNQVENZOJCCZAS-QGZVFWFLSA-N 1 2 358.511 3.117 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(C#N)cs3)CC2)s1 ZINC000188757567 712776711 /nfs/dbraw/zinc/77/67/11/712776711.db2.gz PUBKENSAZYMLFW-UHFFFAOYSA-N 1 2 355.492 3.255 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329789977 713832745 /nfs/dbraw/zinc/83/27/45/713832745.db2.gz SUJRIZCVBPCSHZ-SNPRPXQTSA-N 1 2 367.881 3.233 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329789977 713832748 /nfs/dbraw/zinc/83/27/48/713832748.db2.gz SUJRIZCVBPCSHZ-SNPRPXQTSA-N 1 2 367.881 3.233 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373863576 713878134 /nfs/dbraw/zinc/87/81/34/713878134.db2.gz SEBRJPHRWJJDFZ-IAGOWNOFSA-N 1 2 361.804 3.427 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373863576 713878139 /nfs/dbraw/zinc/87/81/39/713878139.db2.gz SEBRJPHRWJJDFZ-IAGOWNOFSA-N 1 2 361.804 3.427 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000628122631 716112419 /nfs/dbraw/zinc/11/24/19/716112419.db2.gz GGUZYLISPVDYHZ-UHFFFAOYSA-N 1 2 354.878 3.260 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000628122631 716112422 /nfs/dbraw/zinc/11/24/22/716112422.db2.gz GGUZYLISPVDYHZ-UHFFFAOYSA-N 1 2 354.878 3.260 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(=O)CC)CC2)cc1OC ZINC000628149486 716116034 /nfs/dbraw/zinc/11/60/34/716116034.db2.gz BAZDKMWIQXMWPB-UHFFFAOYSA-N 1 2 366.889 3.358 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(=O)CC)CC2)cc1OC ZINC000628149486 716116036 /nfs/dbraw/zinc/11/60/36/716116036.db2.gz BAZDKMWIQXMWPB-UHFFFAOYSA-N 1 2 366.889 3.358 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)CC)C2)cc1OC ZINC000628159277 716117969 /nfs/dbraw/zinc/11/79/69/716117969.db2.gz MFCSEOAREHFLMV-OAHLLOKOSA-N 1 2 366.889 3.404 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)cc1OC ZINC000628159277 716117972 /nfs/dbraw/zinc/11/79/72/716117972.db2.gz MFCSEOAREHFLMV-OAHLLOKOSA-N 1 2 366.889 3.404 20 30 FGEDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000648073939 718398280 /nfs/dbraw/zinc/39/82/80/718398280.db2.gz ZZHYYNGOXQEYNE-CYBMUJFWSA-N 1 2 372.284 3.345 20 30 FGEDLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000648073939 718398282 /nfs/dbraw/zinc/39/82/82/718398282.db2.gz ZZHYYNGOXQEYNE-CYBMUJFWSA-N 1 2 372.284 3.345 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3nc(Cl)c(C#N)s3)CC2)cc1 ZINC000804338272 724505517 /nfs/dbraw/zinc/50/55/17/724505517.db2.gz LUYMJELOVATZHQ-UHFFFAOYSA-N 1 2 362.886 3.389 20 30 FGEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1Br)[C@@H](C)COC ZINC000661245384 720214719 /nfs/dbraw/zinc/21/47/19/720214719.db2.gz AHYVQCYMMBKLHQ-LBPRGKRZSA-N 1 2 358.276 3.489 20 30 FGEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1Br)[C@@H](C)COC ZINC000661245384 720214721 /nfs/dbraw/zinc/21/47/21/720214721.db2.gz AHYVQCYMMBKLHQ-LBPRGKRZSA-N 1 2 358.276 3.489 20 30 FGEDLO NC(=[NH+]OCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000782949208 724711172 /nfs/dbraw/zinc/71/11/72/724711172.db2.gz RGFFVVNQLGCDMX-UHFFFAOYSA-N 1 2 363.211 3.057 20 30 FGEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949311 724711218 /nfs/dbraw/zinc/71/12/18/724711218.db2.gz SZYABESTBYIVGJ-VIFPVBQESA-N 1 2 370.272 3.450 20 30 FGEDLO C=CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000732180821 722481937 /nfs/dbraw/zinc/48/19/37/722481937.db2.gz CXGQQJYKTLQFCT-MRXNPFEDSA-N 1 2 353.875 3.024 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903731 722947771 /nfs/dbraw/zinc/94/77/71/722947771.db2.gz VFZFPLQKFMWTOJ-ROUUACIJSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903731 722947772 /nfs/dbraw/zinc/94/77/72/722947772.db2.gz VFZFPLQKFMWTOJ-ROUUACIJSA-N 1 2 357.816 3.031 20 30 FGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)nc1C ZINC000755021855 722949397 /nfs/dbraw/zinc/94/93/97/722949397.db2.gz JEZUOEBYLZVJIG-LBPRGKRZSA-N 1 2 359.451 3.359 20 30 FGEDLO C[C@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000757573791 722977130 /nfs/dbraw/zinc/97/71/30/722977130.db2.gz FMCLDWJYGYYHTF-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000757573791 722977131 /nfs/dbraw/zinc/97/71/31/722977131.db2.gz FMCLDWJYGYYHTF-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO NC(=[NH+]OCc1cccc(-n2cccn2)c1)c1ccc(Br)cc1 ZINC000758773990 722994759 /nfs/dbraw/zinc/99/47/59/722994759.db2.gz WVEATDMYNVVMDV-UHFFFAOYSA-N 1 2 371.238 3.472 20 30 FGEDLO C#CCCN(CC(F)(F)F)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793832441 723471484 /nfs/dbraw/zinc/47/14/84/723471484.db2.gz ZBXFMAYKQCIINA-UHFFFAOYSA-N 1 2 359.298 3.037 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2c(Cl)nc3sccn32)s1 ZINC000794699649 723541765 /nfs/dbraw/zinc/54/17/65/723541765.db2.gz FHRLPVPZKBIXIL-ONEGZZNKSA-N 1 2 352.872 3.463 20 30 FGEDLO COc1cc(F)c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794704048 723541927 /nfs/dbraw/zinc/54/19/27/723541927.db2.gz WRUGQTFYXDDRGG-AATRIKPKSA-N 1 2 350.415 3.257 20 30 FGEDLO CN(CCC#N)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000768208530 723650550 /nfs/dbraw/zinc/65/05/50/723650550.db2.gz RZCGYZYOVZJBMN-UHFFFAOYSA-N 1 2 354.523 3.416 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3F)CC2)c(Cl)c1 ZINC000769920766 723700961 /nfs/dbraw/zinc/70/09/61/723700961.db2.gz MCWGKERPSVWLKT-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C#C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1F ZINC000805131072 725051612 /nfs/dbraw/zinc/05/16/12/725051612.db2.gz FMGXPHURPSBVDS-INIZCTEOSA-N 1 2 360.820 3.350 20 30 FGEDLO COc1ccc(Br)c(CN[NH+]=Cc2cnccc2N(C)C)c1 ZINC000788728737 725084070 /nfs/dbraw/zinc/08/40/70/725084070.db2.gz AGKOEERQMWEWQE-UHFFFAOYSA-N 1 2 363.259 3.042 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000811466134 725367396 /nfs/dbraw/zinc/36/73/96/725367396.db2.gz NPCXKJSQPCDSPJ-TZMCWYRMSA-N 1 2 350.488 3.140 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000811466134 725367397 /nfs/dbraw/zinc/36/73/97/725367397.db2.gz NPCXKJSQPCDSPJ-TZMCWYRMSA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@H]1C(N=Nc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811638367 725375462 /nfs/dbraw/zinc/37/54/62/725375462.db2.gz NJGRUKDNTYQMPQ-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@H]1C(N=Nc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811638367 725375463 /nfs/dbraw/zinc/37/54/63/725375463.db2.gz NJGRUKDNTYQMPQ-HNNXBMFYSA-N 1 2 357.479 3.152 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCCn2cc[nH+]c2)s1 ZINC000818997880 727336193 /nfs/dbraw/zinc/33/61/93/727336193.db2.gz NEBHEVKCWXWFAT-UHFFFAOYSA-N 1 2 370.931 3.242 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1C#N ZINC000832243272 729699157 /nfs/dbraw/zinc/69/91/57/729699157.db2.gz QODBODRRLZHBTK-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365236 730707800 /nfs/dbraw/zinc/70/78/00/730707800.db2.gz AHRKUVBNIZTSDE-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365236 730707803 /nfs/dbraw/zinc/70/78/03/730707803.db2.gz AHRKUVBNIZTSDE-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO CC(Cc1ccc(Br)c(F)c1)=NNCCCn1cc[nH+]c1 ZINC000848418538 731162348 /nfs/dbraw/zinc/16/23/48/731162348.db2.gz NHSMFMHHKYZBOY-UHFFFAOYSA-N 1 2 353.239 3.383 20 30 FGEDLO C#CC[C@@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000858334902 732204805 /nfs/dbraw/zinc/20/48/05/732204805.db2.gz HWQHGZBZQGGMEI-INIZCTEOSA-N 1 2 357.479 3.264 20 30 FGEDLO C=CCC1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CCCC1 ZINC000871545063 733945469 /nfs/dbraw/zinc/94/54/69/733945469.db2.gz ALUUOZJZHPISSP-UHFFFAOYSA-N 1 2 350.503 3.045 20 30 FGEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C#N)cnc1Cl ZINC000876687627 736131567 /nfs/dbraw/zinc/13/15/67/736131567.db2.gz BLPNNALUWMNPFT-UHFFFAOYSA-N 1 2 356.857 3.331 20 30 FGEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C#N)cnc1Cl ZINC000876687627 736131570 /nfs/dbraw/zinc/13/15/70/736131570.db2.gz BLPNNALUWMNPFT-UHFFFAOYSA-N 1 2 356.857 3.331 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000877085958 736185667 /nfs/dbraw/zinc/18/56/67/736185667.db2.gz YLHATJWELJYOAH-UHFFFAOYSA-N 1 2 367.739 3.227 20 30 FGEDLO CCOC(=O)c1csc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000880264427 737144327 /nfs/dbraw/zinc/14/43/27/737144327.db2.gz VNBZZLBXFVVCRK-HNNXBMFYSA-N 1 2 360.483 3.018 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000880478800 737179433 /nfs/dbraw/zinc/17/94/33/737179433.db2.gz GGNOUOWHWNGRSW-AWEZNQCLSA-N 1 2 359.857 3.225 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2ccn(-c3ccc(OC)cc3)c2=S)CC1 ZINC000884478501 737667017 /nfs/dbraw/zinc/66/70/17/737667017.db2.gz DJOJKRZAPQSYAT-UHFFFAOYSA-N 1 2 359.495 3.377 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891574307 739916375 /nfs/dbraw/zinc/91/63/75/739916375.db2.gz WFCOBVOSIVDLSR-UHFFFAOYSA-N 1 2 366.412 3.442 20 30 FGEDLO C[C@@](O)(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)C(F)(F)C(F)(F)F ZINC000899883319 743024604 /nfs/dbraw/zinc/02/46/04/743024604.db2.gz KASYPFGZIGENJD-SECBINFHSA-N 1 2 363.208 3.399 20 30 FGEDLO CC(C)(C)NC(=S)N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916343949 758072876 /nfs/dbraw/zinc/07/28/76/758072876.db2.gz OKPGMFKGZKDAAL-UHFFFAOYSA-N 1 2 363.487 3.182 20 30 FGEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(CN(C)C)cs2)ccc1OC ZINC000922491457 758936205 /nfs/dbraw/zinc/93/62/05/758936205.db2.gz NNEYWANIWLLEGQ-UHFFFAOYSA-N 1 2 361.511 3.458 20 30 FGEDLO C=CC[C@H]1N(C(=O)NCc2nc(C[NH+](C)C)cs2)CCCC1(C)C ZINC000924774534 759387162 /nfs/dbraw/zinc/38/71/62/759387162.db2.gz BYIRGUMWBKYRFW-OAHLLOKOSA-N 1 2 350.532 3.481 20 30 FGEDLO Cc1ccc(C[N@H+](C[C@H](O)CC#N)C[C@@H]2CCCO2)c(Br)c1 ZINC000930310963 760576840 /nfs/dbraw/zinc/57/68/40/760576840.db2.gz VCRIEXJICVPDOZ-CVEARBPZSA-N 1 2 367.287 3.013 20 30 FGEDLO Cc1ccc(C[N@@H+](C[C@H](O)CC#N)C[C@@H]2CCCO2)c(Br)c1 ZINC000930310963 760576843 /nfs/dbraw/zinc/57/68/43/760576843.db2.gz VCRIEXJICVPDOZ-CVEARBPZSA-N 1 2 367.287 3.013 20 30 FGEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932360828 761146856 /nfs/dbraw/zinc/14/68/56/761146856.db2.gz HBOLTWBQQAQWNO-BDJLRTHQSA-N 1 2 355.829 3.070 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000932655781 761210921 /nfs/dbraw/zinc/21/09/21/761210921.db2.gz JJXYEYRHMGMWDW-UHFFFAOYSA-N 1 2 358.335 3.405 20 30 FGEDLO C=CCSc1ccccc1NC(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933264113 761349189 /nfs/dbraw/zinc/34/91/89/761349189.db2.gz UTCPMHBXSDZNGR-UHFFFAOYSA-N 1 2 356.495 3.178 20 30 FGEDLO O=C([C@@H]1C[C@H]1C1CC1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000982145485 763569343 /nfs/dbraw/zinc/56/93/43/763569343.db2.gz JFCFHJALHIRHJQ-VQTJNVASSA-N 1 2 356.897 3.272 20 30 FGEDLO O=C([C@@H]1C[C@H]1C1CC1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000982145485 763569348 /nfs/dbraw/zinc/56/93/48/763569348.db2.gz JFCFHJALHIRHJQ-VQTJNVASSA-N 1 2 356.897 3.272 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001008014999 765635137 /nfs/dbraw/zinc/63/51/37/765635137.db2.gz JEUWXAGOLKBNEH-YTQUADARSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001008014999 765635142 /nfs/dbraw/zinc/63/51/42/765635142.db2.gz JEUWXAGOLKBNEH-YTQUADARSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001008837835 765710016 /nfs/dbraw/zinc/71/00/16/765710016.db2.gz CVTSUIQWDWUIBR-KMFMINBZSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001008837835 765710021 /nfs/dbraw/zinc/71/00/21/765710021.db2.gz CVTSUIQWDWUIBR-KMFMINBZSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001014473266 765783472 /nfs/dbraw/zinc/78/34/72/765783472.db2.gz ZCRGGTPRJYZOBF-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001014473266 765783475 /nfs/dbraw/zinc/78/34/75/765783475.db2.gz ZCRGGTPRJYZOBF-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029481744 766147719 /nfs/dbraw/zinc/14/77/19/766147719.db2.gz GAAXIEAYEZZYQD-RSPOEFSDSA-N 1 2 356.897 3.413 20 30 FGEDLO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029481744 766147724 /nfs/dbraw/zinc/14/77/24/766147724.db2.gz GAAXIEAYEZZYQD-RSPOEFSDSA-N 1 2 356.897 3.413 20 30 FGEDLO CC(C)C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031989917 766189691 /nfs/dbraw/zinc/18/96/91/766189691.db2.gz FMINZINFKBFCLO-UYAOXDASSA-N 1 2 358.913 3.422 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189879 766209619 /nfs/dbraw/zinc/20/96/19/766209619.db2.gz DDTJWVOLDAMVMJ-SOUVJXGZSA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033189879 766209622 /nfs/dbraw/zinc/20/96/22/766209622.db2.gz DDTJWVOLDAMVMJ-SOUVJXGZSA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046974746 766612982 /nfs/dbraw/zinc/61/29/82/766612982.db2.gz GSEKFYFTDATTTK-OWCLPIDISA-N 1 2 369.843 3.011 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001046974746 766612988 /nfs/dbraw/zinc/61/29/88/766612988.db2.gz GSEKFYFTDATTTK-OWCLPIDISA-N 1 2 369.843 3.011 20 30 FGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(C)s3)cc2C1 ZINC001054285114 767005167 /nfs/dbraw/zinc/00/51/67/767005167.db2.gz STXCDVMZFXHOKW-RTBURBONSA-N 1 2 350.487 3.425 20 30 FGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(C)s3)cc2C1 ZINC001054285114 767005178 /nfs/dbraw/zinc/00/51/78/767005178.db2.gz STXCDVMZFXHOKW-RTBURBONSA-N 1 2 350.487 3.425 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000579718713 505608160 /nfs/dbraw/zinc/60/81/60/505608160.db2.gz WXEPARYVOXFOCH-HSZRJFAPSA-N 1 2 363.505 3.438 20 30 FGEDLO N#Cc1c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn2ccccc12 ZINC000080906361 493789926 /nfs/dbraw/zinc/78/99/26/493789926.db2.gz FZEYLVPLLBWZJN-QFIPXVFZSA-N 1 2 355.445 3.193 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)[nH+]1 ZINC000029448642 493839760 /nfs/dbraw/zinc/83/97/60/493839760.db2.gz LQOPPXHZDBDITI-UHFFFAOYSA-N 1 2 355.467 3.023 20 30 FGEDLO Cc1ccc(-c2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)on2)cc1 ZINC000029714332 493854243 /nfs/dbraw/zinc/85/42/43/493854243.db2.gz FYQYBSKQQVAVPJ-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000058453644 493855933 /nfs/dbraw/zinc/85/59/33/493855933.db2.gz XVXDPMVTUBGQHE-KRWDZBQOSA-N 1 2 370.478 3.123 20 30 FGEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cn2ccccc12 ZINC000058578729 493867388 /nfs/dbraw/zinc/86/73/88/493867388.db2.gz CWBJXOTWHQNNAS-UHFFFAOYSA-N 1 2 364.493 3.426 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cn2ccccc12 ZINC000058578729 493867391 /nfs/dbraw/zinc/86/73/91/493867391.db2.gz CWBJXOTWHQNNAS-UHFFFAOYSA-N 1 2 364.493 3.426 20 30 FGEDLO C=CCOc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000030523481 493894991 /nfs/dbraw/zinc/89/49/91/493894991.db2.gz WEHWJKOKUBVLHG-UHFFFAOYSA-N 1 2 366.461 3.014 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000031205463 493932008 /nfs/dbraw/zinc/93/20/08/493932008.db2.gz RMINFVKSWAARQK-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000031205463 493932009 /nfs/dbraw/zinc/93/20/09/493932009.db2.gz RMINFVKSWAARQK-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO N#Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1F ZINC000076880544 493984437 /nfs/dbraw/zinc/98/44/37/493984437.db2.gz BMILRVDIJBAZCM-GOSISDBHSA-N 1 2 355.438 3.426 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000032486375 493992661 /nfs/dbraw/zinc/99/26/61/493992661.db2.gz RACFFDVEINKJPJ-UHFFFAOYSA-N 1 2 360.417 3.154 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000063297868 494040935 /nfs/dbraw/zinc/04/09/35/494040935.db2.gz HCJBGKIYSLESMG-UHFFFAOYSA-N 1 2 364.405 3.099 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000063297868 494040940 /nfs/dbraw/zinc/04/09/40/494040940.db2.gz HCJBGKIYSLESMG-UHFFFAOYSA-N 1 2 364.405 3.099 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000077270632 494044873 /nfs/dbraw/zinc/04/48/73/494044873.db2.gz ULCBQGAKIMONFN-IIBYNOLFSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000077270632 494044878 /nfs/dbraw/zinc/04/48/78/494044878.db2.gz ULCBQGAKIMONFN-IIBYNOLFSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000070870114 494063100 /nfs/dbraw/zinc/06/31/00/494063100.db2.gz HBAUEWCXYZUBIC-FZKQIMNGSA-N 1 2 351.878 3.223 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000070870114 494063103 /nfs/dbraw/zinc/06/31/03/494063103.db2.gz HBAUEWCXYZUBIC-FZKQIMNGSA-N 1 2 351.878 3.223 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N(C)C[C@@H](C)C#N)cc3)[nH+]c12 ZINC000063747357 494083215 /nfs/dbraw/zinc/08/32/15/494083215.db2.gz IKOPKENGEZDPDF-HNNXBMFYSA-N 1 2 362.433 3.453 20 30 FGEDLO COC(=O)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000064639297 494140556 /nfs/dbraw/zinc/14/05/56/494140556.db2.gz VZKDLLCCNUMJRX-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO COC(=O)C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000064639297 494140558 /nfs/dbraw/zinc/14/05/58/494140558.db2.gz VZKDLLCCNUMJRX-UHFFFAOYSA-N 1 2 358.825 3.266 20 30 FGEDLO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cccc(C#N)c1 ZINC000053607931 494151617 /nfs/dbraw/zinc/15/16/17/494151617.db2.gz WBCSZWFNXBEESJ-UHFFFAOYSA-N 1 2 362.458 3.413 20 30 FGEDLO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cccc(C#N)c1 ZINC000053607931 494151619 /nfs/dbraw/zinc/15/16/19/494151619.db2.gz WBCSZWFNXBEESJ-UHFFFAOYSA-N 1 2 362.458 3.413 20 30 FGEDLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000065497498 494205370 /nfs/dbraw/zinc/20/53/70/494205370.db2.gz VGLQIVKOYVIKNT-MRXNPFEDSA-N 1 2 366.465 3.357 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272399 494214629 /nfs/dbraw/zinc/21/46/29/494214629.db2.gz SXOQEOOPDSAQHD-FQEVSTJZSA-N 1 2 366.461 3.323 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272399 494214635 /nfs/dbraw/zinc/21/46/35/494214635.db2.gz SXOQEOOPDSAQHD-FQEVSTJZSA-N 1 2 366.461 3.323 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccc(OC)cc1 ZINC000054272379 494214760 /nfs/dbraw/zinc/21/47/60/494214760.db2.gz OPAARZKUVDHMPJ-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccc(OC)cc1 ZINC000054272379 494214765 /nfs/dbraw/zinc/21/47/65/494214765.db2.gz OPAARZKUVDHMPJ-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000066191181 494287213 /nfs/dbraw/zinc/28/72/13/494287213.db2.gz POUSKCZMXFUBHV-UHFFFAOYSA-N 1 2 362.477 3.494 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2CC(C)C)cc1 ZINC000072978950 494297808 /nfs/dbraw/zinc/29/78/08/494297808.db2.gz COFCIOXXKCRMOM-LJQANCHMSA-N 1 2 373.497 3.079 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2CC(C)C)cc1 ZINC000072978950 494297811 /nfs/dbraw/zinc/29/78/11/494297811.db2.gz COFCIOXXKCRMOM-LJQANCHMSA-N 1 2 373.497 3.079 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c(C#N)c1C ZINC000055103415 494302303 /nfs/dbraw/zinc/30/23/03/494302303.db2.gz RJIPXBCYKWBRFO-UHFFFAOYSA-N 1 2 353.422 3.292 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000014405666 494317973 /nfs/dbraw/zinc/31/79/73/494317973.db2.gz IRRZYQJIFFIQNC-HXUWFJFHSA-N 1 2 362.408 3.269 20 30 FGEDLO N#CCSc1cccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000079395604 494446197 /nfs/dbraw/zinc/44/61/97/494446197.db2.gz ROVJBDPATZCJLQ-UHFFFAOYSA-N 1 2 352.463 3.227 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502832 494466705 /nfs/dbraw/zinc/46/67/05/494466705.db2.gz DVGCAHDNZUNYRE-SFHVURJKSA-N 1 2 369.490 3.282 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502832 494466711 /nfs/dbraw/zinc/46/67/11/494466711.db2.gz DVGCAHDNZUNYRE-SFHVURJKSA-N 1 2 369.490 3.282 20 30 FGEDLO CCOc1ccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781333 494534778 /nfs/dbraw/zinc/53/47/78/494534778.db2.gz PAOGOKOWKTTYJH-UHFFFAOYSA-N 1 2 365.477 3.154 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361465 494605996 /nfs/dbraw/zinc/60/59/96/494605996.db2.gz GEYXGGLVKUMLML-GOSISDBHSA-N 1 2 351.512 3.287 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361465 494606006 /nfs/dbraw/zinc/60/60/06/494606006.db2.gz GEYXGGLVKUMLML-GOSISDBHSA-N 1 2 351.512 3.287 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052955 494628321 /nfs/dbraw/zinc/62/83/21/494628321.db2.gz MNXFIEHYKKWOIO-KRWDZBQOSA-N 1 2 373.460 3.018 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1OC ZINC000121181768 494635472 /nfs/dbraw/zinc/63/54/72/494635472.db2.gz WUAHDAXVBJHWIA-GOSISDBHSA-N 1 2 368.433 3.121 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cnn(C)c1 ZINC000108362821 494688181 /nfs/dbraw/zinc/68/81/81/494688181.db2.gz NUSVZFIJQNYNSY-HNNXBMFYSA-N 1 2 371.510 3.132 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)Cc1cnn(C)c1 ZINC000108362821 494688189 /nfs/dbraw/zinc/68/81/89/494688189.db2.gz NUSVZFIJQNYNSY-HNNXBMFYSA-N 1 2 371.510 3.132 20 30 FGEDLO N#Cc1c(Cl)nsc1Nc1ccc([NH+]2CCC(C(N)=O)CC2)cc1 ZINC000092629956 494689472 /nfs/dbraw/zinc/68/94/72/494689472.db2.gz IERRWSWERWLOEZ-UHFFFAOYSA-N 1 2 361.858 3.113 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1F ZINC000108406264 494701330 /nfs/dbraw/zinc/70/13/30/494701330.db2.gz DSRWJQWNXZUVAY-QAPCUYQASA-N 1 2 361.461 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1F ZINC000108406264 494701337 /nfs/dbraw/zinc/70/13/37/494701337.db2.gz DSRWJQWNXZUVAY-QAPCUYQASA-N 1 2 361.461 3.218 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)C(F)(F)F ZINC000571462455 505739389 /nfs/dbraw/zinc/73/93/89/505739389.db2.gz PNSAZJVMSXQYPU-WCQYABFASA-N 1 2 370.762 3.491 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)Cc3cn4ccccc4[nH+]3)s2)cc1 ZINC000121476068 494773149 /nfs/dbraw/zinc/77/31/49/494773149.db2.gz RMZYYYUWAJKTKI-UHFFFAOYSA-N 1 2 373.441 3.434 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 ZINC000131924847 494774979 /nfs/dbraw/zinc/77/49/79/494774979.db2.gz XXFJTUXKODBLCD-OAHLLOKOSA-N 1 2 367.453 3.049 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000075557606 494794091 /nfs/dbraw/zinc/79/40/91/494794091.db2.gz WYHUUCOCKBBJAO-UGAXZCSASA-N 1 2 367.449 3.403 20 30 FGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000571490058 505745288 /nfs/dbraw/zinc/74/52/88/505745288.db2.gz VBDPUFLFMXRIAC-UHFFFAOYSA-N 1 2 363.352 3.354 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)c1 ZINC000027603242 494876976 /nfs/dbraw/zinc/87/69/76/494876976.db2.gz IWKFDGOHKILHDJ-UHFFFAOYSA-N 1 2 371.462 3.240 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)c1 ZINC000027603242 494876978 /nfs/dbraw/zinc/87/69/78/494876978.db2.gz IWKFDGOHKILHDJ-UHFFFAOYSA-N 1 2 371.462 3.240 20 30 FGEDLO N#Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000132615387 494899861 /nfs/dbraw/zinc/89/98/61/494899861.db2.gz YYODRVGREGOODR-SFTDATJTSA-N 1 2 371.444 3.483 20 30 FGEDLO N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000122469215 494980793 /nfs/dbraw/zinc/98/07/93/494980793.db2.gz PIACLMUQIJEHSD-UHFFFAOYSA-N 1 2 368.437 3.060 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(C#N)c1C ZINC000097010241 495019355 /nfs/dbraw/zinc/01/93/55/495019355.db2.gz QUXBVAQPBDJUBO-OAHLLOKOSA-N 1 2 373.478 3.449 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(C#N)c1C ZINC000097010241 495019356 /nfs/dbraw/zinc/01/93/56/495019356.db2.gz QUXBVAQPBDJUBO-OAHLLOKOSA-N 1 2 373.478 3.449 20 30 FGEDLO Cc1cccc([C@@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)c1 ZINC000097286639 495030800 /nfs/dbraw/zinc/03/08/00/495030800.db2.gz LUNBVJHGXZEGRZ-HXUWFJFHSA-N 1 2 350.466 3.364 20 30 FGEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250923 495055069 /nfs/dbraw/zinc/05/50/69/495055069.db2.gz LFDRLOLKQFXALX-AWEZNQCLSA-N 1 2 351.441 3.274 20 30 FGEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250923 495055074 /nfs/dbraw/zinc/05/50/74/495055074.db2.gz LFDRLOLKQFXALX-AWEZNQCLSA-N 1 2 351.441 3.274 20 30 FGEDLO Cc1ccccc1OCCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128524313 495110852 /nfs/dbraw/zinc/11/08/52/495110852.db2.gz MSFQHAYEQOXMKN-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO Cc1ccccc1OCCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128524313 495110855 /nfs/dbraw/zinc/11/08/55/495110855.db2.gz MSFQHAYEQOXMKN-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000135250601 495268713 /nfs/dbraw/zinc/26/87/13/495268713.db2.gz NHEBKQXQSMULTD-UHFFFAOYSA-N 1 2 365.452 3.471 20 30 FGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000135250601 495268716 /nfs/dbraw/zinc/26/87/16/495268716.db2.gz NHEBKQXQSMULTD-UHFFFAOYSA-N 1 2 365.452 3.471 20 30 FGEDLO N#C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000113176837 495280555 /nfs/dbraw/zinc/28/05/55/495280555.db2.gz RRWRWHCZITZGOO-IBGZPJMESA-N 1 2 369.852 3.167 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)c1 ZINC000104714809 495300111 /nfs/dbraw/zinc/30/01/11/495300111.db2.gz FGYKMVQCTFEDKU-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000104715376 495300192 /nfs/dbraw/zinc/30/01/92/495300192.db2.gz CDRMZWQKKBMGMI-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000124937356 495366920 /nfs/dbraw/zinc/36/69/20/495366920.db2.gz AUYQUBJWQRRFAS-UHFFFAOYSA-N 1 2 367.449 3.185 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000130370907 495381468 /nfs/dbraw/zinc/38/14/68/495381468.db2.gz QBUXQDHWYBNYPJ-GFCCVEGCSA-N 1 2 361.417 3.417 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000131237121 495511092 /nfs/dbraw/zinc/51/10/92/495511092.db2.gz VIZTTWKTNZDTKT-CYBMUJFWSA-N 1 2 373.378 3.495 20 30 FGEDLO CCCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597011 495520736 /nfs/dbraw/zinc/52/07/36/495520736.db2.gz JLJOTJZIPFTYPJ-HXUWFJFHSA-N 1 2 367.449 3.062 20 30 FGEDLO N#Cc1cccnc1N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000577763663 505788373 /nfs/dbraw/zinc/78/83/73/505788373.db2.gz MGEKIOAKFPHDEE-UHFFFAOYSA-N 1 2 372.226 3.212 20 30 FGEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000170865094 495631452 /nfs/dbraw/zinc/63/14/52/495631452.db2.gz FRZGCNNXCXWXOT-UHFFFAOYSA-N 1 2 363.461 3.066 20 30 FGEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000170865094 495631455 /nfs/dbraw/zinc/63/14/55/495631455.db2.gz FRZGCNNXCXWXOT-UHFFFAOYSA-N 1 2 363.461 3.066 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176493752 495671272 /nfs/dbraw/zinc/67/12/72/495671272.db2.gz OAHLFXJWABTSRC-QGZVFWFLSA-N 1 2 374.444 3.081 20 30 FGEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000179698135 495696185 /nfs/dbraw/zinc/69/61/85/495696185.db2.gz FOWYGUZORQSRPT-UHFFFAOYSA-N 1 2 368.506 3.056 20 30 FGEDLO COc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000179844433 495756349 /nfs/dbraw/zinc/75/63/49/495756349.db2.gz RQANZWHTDWPEPB-UHFFFAOYSA-N 1 2 371.403 3.058 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000171259015 495792568 /nfs/dbraw/zinc/79/25/68/495792568.db2.gz NNLJPHVANJSDCG-UHFFFAOYSA-N 1 2 372.494 3.448 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000171259015 495792573 /nfs/dbraw/zinc/79/25/73/495792573.db2.gz NNLJPHVANJSDCG-UHFFFAOYSA-N 1 2 372.494 3.448 20 30 FGEDLO CCCn1c2ccccc2nc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179986464 495810863 /nfs/dbraw/zinc/81/08/63/495810863.db2.gz BYZFTDYLXKEBIO-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO CCc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 ZINC000179988810 495812461 /nfs/dbraw/zinc/81/24/61/495812461.db2.gz LUCZXJYEOAVITP-CJNGLKHVSA-N 1 2 354.479 3.423 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000180028224 495830111 /nfs/dbraw/zinc/83/01/11/495830111.db2.gz CWAHONMJIAZQIR-HZPDHXFCSA-N 1 2 367.453 3.198 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180096955 495857272 /nfs/dbraw/zinc/85/72/72/495857272.db2.gz UGYOCPOXLGQBNF-OAHLLOKOSA-N 1 2 365.437 3.163 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000155189512 495868686 /nfs/dbraw/zinc/86/86/86/495868686.db2.gz PPZDDFODQISRQJ-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OC3CCCC3)CC2)C1=O ZINC000177031546 495891655 /nfs/dbraw/zinc/89/16/55/495891655.db2.gz JCWGYDIVWZLGIQ-QGZVFWFLSA-N 1 2 359.495 3.149 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1ccc(C#N)cc1F ZINC000171483788 495895883 /nfs/dbraw/zinc/89/58/83/495895883.db2.gz QFKASJKDJDGCKK-UHFFFAOYSA-N 1 2 365.412 3.245 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000177038437 495896544 /nfs/dbraw/zinc/89/65/44/495896544.db2.gz SQDJZOMOISUGCS-UHFFFAOYSA-N 1 2 368.506 3.387 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000177038437 495896551 /nfs/dbraw/zinc/89/65/51/495896551.db2.gz SQDJZOMOISUGCS-UHFFFAOYSA-N 1 2 368.506 3.387 20 30 FGEDLO CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177076699 495914496 /nfs/dbraw/zinc/91/44/96/495914496.db2.gz BOWGACCKPGGHQT-MRXNPFEDSA-N 1 2 355.463 3.256 20 30 FGEDLO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177076699 495914497 /nfs/dbraw/zinc/91/44/97/495914497.db2.gz BOWGACCKPGGHQT-MRXNPFEDSA-N 1 2 355.463 3.256 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000186287106 495929123 /nfs/dbraw/zinc/92/91/23/495929123.db2.gz GYYKEFIEHAYFMF-MRXNPFEDSA-N 1 2 366.440 3.015 20 30 FGEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000186341970 495955987 /nfs/dbraw/zinc/95/59/87/495955987.db2.gz IQUNFUFADJFWTO-UHFFFAOYSA-N 1 2 365.433 3.175 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000177275259 496004276 /nfs/dbraw/zinc/00/42/76/496004276.db2.gz DOVBSYVCRPYUQL-MRXNPFEDSA-N 1 2 354.479 3.362 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000177275259 496004282 /nfs/dbraw/zinc/00/42/82/496004282.db2.gz DOVBSYVCRPYUQL-MRXNPFEDSA-N 1 2 354.479 3.362 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000155594897 496006873 /nfs/dbraw/zinc/00/68/73/496006873.db2.gz RZIQDJXZLPCHBV-CYBMUJFWSA-N 1 2 361.371 3.078 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000155594897 496006878 /nfs/dbraw/zinc/00/68/78/496006878.db2.gz RZIQDJXZLPCHBV-CYBMUJFWSA-N 1 2 361.371 3.078 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171723070 496008464 /nfs/dbraw/zinc/00/84/64/496008464.db2.gz RFPLNTCSGUAGRM-MRXNPFEDSA-N 1 2 364.449 3.478 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000177499785 496088212 /nfs/dbraw/zinc/08/82/12/496088212.db2.gz ATTHPQFAIXJEBJ-UHFFFAOYSA-N 1 2 371.268 3.073 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(Br)c1 ZINC000180964275 496222076 /nfs/dbraw/zinc/22/20/76/496222076.db2.gz LQOAYXHNOGQHFQ-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186953108 496227408 /nfs/dbraw/zinc/22/74/08/496227408.db2.gz CGAWLMCVCGLRBP-UHFFFAOYSA-N 1 2 360.504 3.273 20 30 FGEDLO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000187189018 496331368 /nfs/dbraw/zinc/33/13/68/496331368.db2.gz WHWBZWQJFQWPMQ-UHFFFAOYSA-N 1 2 371.872 3.113 20 30 FGEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000187189018 496331374 /nfs/dbraw/zinc/33/13/74/496331374.db2.gz WHWBZWQJFQWPMQ-UHFFFAOYSA-N 1 2 371.872 3.113 20 30 FGEDLO CCOC(=O)Nc1ccc(NCc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000181507089 496424593 /nfs/dbraw/zinc/42/45/93/496424593.db2.gz AEZKKZFZDQTSFO-UHFFFAOYSA-N 1 2 367.331 3.498 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000178565996 496501267 /nfs/dbraw/zinc/50/12/67/496501267.db2.gz MVTJAVDNHZOHDF-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000178565996 496501270 /nfs/dbraw/zinc/50/12/70/496501270.db2.gz MVTJAVDNHZOHDF-UHFFFAOYSA-N 1 2 355.467 3.063 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000571933575 505849051 /nfs/dbraw/zinc/84/90/51/505849051.db2.gz ARRMOEYLXUXSGP-KKSFZXQISA-N 1 2 355.482 3.476 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000157675866 496527647 /nfs/dbraw/zinc/52/76/47/496527647.db2.gz YBCQOOMKRRQASZ-KGLIPLIRSA-N 1 2 366.303 3.278 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000157675866 496527651 /nfs/dbraw/zinc/52/76/51/496527651.db2.gz YBCQOOMKRRQASZ-KGLIPLIRSA-N 1 2 366.303 3.278 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000184830988 496549061 /nfs/dbraw/zinc/54/90/61/496549061.db2.gz IDLYLQRWFIPTPE-INIZCTEOSA-N 1 2 361.829 3.283 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000185173494 496690991 /nfs/dbraw/zinc/69/09/91/496690991.db2.gz XEHFZHOVCZEPHX-SNVBAGLBSA-N 1 2 361.833 3.181 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000263945670 496769810 /nfs/dbraw/zinc/76/98/10/496769810.db2.gz GUFCYVHKUZTSOL-OAHLLOKOSA-N 1 2 366.446 3.014 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000263945670 496769815 /nfs/dbraw/zinc/76/98/15/496769815.db2.gz GUFCYVHKUZTSOL-OAHLLOKOSA-N 1 2 366.446 3.014 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)n2)c1 ZINC000273375350 496787614 /nfs/dbraw/zinc/78/76/14/496787614.db2.gz LRLVXWXTENSHOF-AWEZNQCLSA-N 1 2 364.405 3.498 20 30 FGEDLO N#CC1(NC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000195037972 496798421 /nfs/dbraw/zinc/79/84/21/496798421.db2.gz SRSSUIAPXXYZAG-QGZVFWFLSA-N 1 2 354.479 3.165 20 30 FGEDLO COCCOc1ccc(C#N)cc1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000191589613 496822685 /nfs/dbraw/zinc/82/26/85/496822685.db2.gz SOEUPMJJOQIHCY-UHFFFAOYSA-N 1 2 354.454 3.435 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000277613368 496828985 /nfs/dbraw/zinc/82/89/85/496828985.db2.gz FVNGXEMOLHLTIA-UHFFFAOYSA-N 1 2 359.433 3.182 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCC(S(=O)(=O)CC)CC2)ccc1OC ZINC000195163359 496839441 /nfs/dbraw/zinc/83/94/41/496839441.db2.gz VPHHKECYBQQHGJ-UHFFFAOYSA-N 1 2 367.511 3.049 20 30 FGEDLO C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000264275764 496859157 /nfs/dbraw/zinc/85/91/57/496859157.db2.gz OHJDQDYGXPBGIH-SJORKVTESA-N 1 2 363.461 3.064 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780883 496887287 /nfs/dbraw/zinc/88/72/87/496887287.db2.gz ZFXLTPXMJDWVRG-OAHLLOKOSA-N 1 2 364.287 3.201 20 30 FGEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780883 496887294 /nfs/dbraw/zinc/88/72/94/496887294.db2.gz ZFXLTPXMJDWVRG-OAHLLOKOSA-N 1 2 364.287 3.201 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418421 496896466 /nfs/dbraw/zinc/89/64/66/496896466.db2.gz LLIRNNXCTWHKTA-KDOFPFPSSA-N 1 2 372.428 3.131 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418421 496896471 /nfs/dbraw/zinc/89/64/71/496896471.db2.gz LLIRNNXCTWHKTA-KDOFPFPSSA-N 1 2 372.428 3.131 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000191818512 496900545 /nfs/dbraw/zinc/90/05/45/496900545.db2.gz DVCSXGMRJFNPPH-UHFFFAOYSA-N 1 2 358.230 3.094 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000191818512 496900551 /nfs/dbraw/zinc/90/05/51/496900551.db2.gz DVCSXGMRJFNPPH-UHFFFAOYSA-N 1 2 358.230 3.094 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247666907 496903470 /nfs/dbraw/zinc/90/34/70/496903470.db2.gz QNJOCIABMANVBR-POAQFYNOSA-N 1 2 366.465 3.268 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815225 496918803 /nfs/dbraw/zinc/91/88/03/496918803.db2.gz VZEMTOGPZBXZKW-MSOLQXFVSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815225 496918810 /nfs/dbraw/zinc/91/88/10/496918810.db2.gz VZEMTOGPZBXZKW-MSOLQXFVSA-N 1 2 361.898 3.435 20 30 FGEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1C ZINC000247877207 496924573 /nfs/dbraw/zinc/92/45/73/496924573.db2.gz PFLBSSWWERRXGD-UHFFFAOYSA-N 1 2 362.477 3.403 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000248039503 496945896 /nfs/dbraw/zinc/94/58/96/496945896.db2.gz LTTBDAPBXXIRGM-RTBURBONSA-N 1 2 374.387 3.267 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000248039503 496945900 /nfs/dbraw/zinc/94/59/00/496945900.db2.gz LTTBDAPBXXIRGM-RTBURBONSA-N 1 2 374.387 3.267 20 30 FGEDLO N#CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000269641489 496982438 /nfs/dbraw/zinc/98/24/38/496982438.db2.gz XUTAWTMKTQLVTC-LJQANCHMSA-N 1 2 352.438 3.152 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192072290 496986127 /nfs/dbraw/zinc/98/61/27/496986127.db2.gz PQMRDSOYGHLNHV-SWLSCSKDSA-N 1 2 350.260 3.036 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192072290 496986134 /nfs/dbraw/zinc/98/61/34/496986134.db2.gz PQMRDSOYGHLNHV-SWLSCSKDSA-N 1 2 350.260 3.036 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000189041341 496988157 /nfs/dbraw/zinc/98/81/57/496988157.db2.gz GEKFJFABEKRDHY-TZIWHRDSSA-N 1 2 374.550 3.061 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192085595 496991032 /nfs/dbraw/zinc/99/10/32/496991032.db2.gz ZUQJSAGLVUJVEO-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192085595 496991036 /nfs/dbraw/zinc/99/10/36/496991036.db2.gz ZUQJSAGLVUJVEO-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192085595 496991039 /nfs/dbraw/zinc/99/10/39/496991039.db2.gz ZUQJSAGLVUJVEO-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192085595 496991042 /nfs/dbraw/zinc/99/10/42/496991042.db2.gz ZUQJSAGLVUJVEO-OAHLLOKOSA-N 1 2 366.415 3.414 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)c[nH+]1 ZINC000269737030 496997402 /nfs/dbraw/zinc/99/74/02/496997402.db2.gz WASPTOZYBNQSMN-UHFFFAOYSA-N 1 2 363.465 3.288 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278200700 497035806 /nfs/dbraw/zinc/03/58/06/497035806.db2.gz WLASGLHCWHYXNT-UKPHBRMFSA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278200700 497035809 /nfs/dbraw/zinc/03/58/09/497035809.db2.gz WLASGLHCWHYXNT-UKPHBRMFSA-N 1 2 354.410 3.007 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000248614671 497057985 /nfs/dbraw/zinc/05/79/85/497057985.db2.gz JQIUHFYWSJBSCR-KDOFPFPSSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000248614671 497057990 /nfs/dbraw/zinc/05/79/90/497057990.db2.gz JQIUHFYWSJBSCR-KDOFPFPSSA-N 1 2 353.422 3.462 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1C ZINC000189291026 497071070 /nfs/dbraw/zinc/07/10/70/497071070.db2.gz ZXCBQTWJDIGNIV-ZOBUZTSGSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@@H]1C ZINC000189291026 497071079 /nfs/dbraw/zinc/07/10/79/497071079.db2.gz ZXCBQTWJDIGNIV-ZOBUZTSGSA-N 1 2 361.511 3.376 20 30 FGEDLO C=CC[C@@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC000249288959 497187716 /nfs/dbraw/zinc/18/77/16/497187716.db2.gz UVTVEFOJDABDNM-FXAWDEMLSA-N 1 2 365.477 3.283 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000265869316 497197526 /nfs/dbraw/zinc/19/75/26/497197526.db2.gz PHJJCWFIPWMWGS-IBGZPJMESA-N 1 2 367.474 3.295 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1[nH]c[nH+]c1C ZINC000278826230 497233586 /nfs/dbraw/zinc/23/35/86/497233586.db2.gz JIMRIHBOUPCIJH-UHFFFAOYSA-N 1 2 366.234 3.377 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271092096 497262888 /nfs/dbraw/zinc/26/28/88/497262888.db2.gz WVRSKHRRJVRZCB-INIZCTEOSA-N 1 2 363.465 3.022 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000193133531 497310815 /nfs/dbraw/zinc/31/08/15/497310815.db2.gz GELZMCWZWMLIPS-UHFFFAOYSA-N 1 2 369.852 3.134 20 30 FGEDLO C=CCN(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000271394051 497338208 /nfs/dbraw/zinc/33/82/08/497338208.db2.gz LOWYNZJBWBCROS-UHFFFAOYSA-N 1 2 351.450 3.334 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266662148 497393532 /nfs/dbraw/zinc/39/35/32/497393532.db2.gz XOIGQGYVCYBWHI-CABCVRRESA-N 1 2 372.469 3.209 20 30 FGEDLO Cc1ccccc1-n1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nn1 ZINC000572165518 505905235 /nfs/dbraw/zinc/90/52/35/505905235.db2.gz GRHBHJKAPULZKF-UHFFFAOYSA-N 1 2 373.460 3.491 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000279729519 497523625 /nfs/dbraw/zinc/52/36/25/497523625.db2.gz NCRINVQKMQUFKA-KRWDZBQOSA-N 1 2 352.482 3.489 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000279729519 497523631 /nfs/dbraw/zinc/52/36/31/497523631.db2.gz NCRINVQKMQUFKA-KRWDZBQOSA-N 1 2 352.482 3.489 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)c1C ZINC000190551144 497525994 /nfs/dbraw/zinc/52/59/94/497525994.db2.gz DGZVLRONTVIYLJ-UHFFFAOYSA-N 1 2 357.498 3.440 20 30 FGEDLO Cc1csc(C2([NH2+][C@H]3CCN(c4sccc4C#N)C3=O)CCC2)n1 ZINC000267543743 497575305 /nfs/dbraw/zinc/57/53/05/497575305.db2.gz ASRXXRGLIPTJCJ-ZDUSSCGKSA-N 1 2 358.492 3.159 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000272472047 497637873 /nfs/dbraw/zinc/63/78/73/497637873.db2.gz DVIOLORUOTWNBE-INIZCTEOSA-N 1 2 356.470 3.237 20 30 FGEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000194837013 497786958 /nfs/dbraw/zinc/78/69/58/497786958.db2.gz TTYSIYHFHLKEAE-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000194836488 497787046 /nfs/dbraw/zinc/78/70/46/497787046.db2.gz SFOVJUNRTNVZOF-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO Cc1cc(NC(=O)c2cnc3n[nH]nc3c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329665883 497862244 /nfs/dbraw/zinc/86/22/44/497862244.db2.gz KQOUHGIQYBTTPN-LBPRGKRZSA-N 1 2 351.414 3.071 20 30 FGEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329677209 497866414 /nfs/dbraw/zinc/86/64/14/497866414.db2.gz WOXSIFIJBYUPGF-IAGOWNOFSA-N 1 2 374.481 3.412 20 30 FGEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329677209 497866418 /nfs/dbraw/zinc/86/64/18/497866418.db2.gz WOXSIFIJBYUPGF-IAGOWNOFSA-N 1 2 374.481 3.412 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000329691741 497870544 /nfs/dbraw/zinc/87/05/44/497870544.db2.gz WIZDZRRVOPRHRY-IBGZPJMESA-N 1 2 360.454 3.153 20 30 FGEDLO O=C(C[N@H+]1CCO[C@H](C2CCCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000329691741 497870549 /nfs/dbraw/zinc/87/05/49/497870549.db2.gz WIZDZRRVOPRHRY-IBGZPJMESA-N 1 2 360.454 3.153 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1F ZINC000572327415 505942309 /nfs/dbraw/zinc/94/23/09/505942309.db2.gz HNZCJRIOPDNURG-UHFFFAOYSA-N 1 2 363.396 3.306 20 30 FGEDLO COc1ccccc1C1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCC1 ZINC000329795663 497904239 /nfs/dbraw/zinc/90/42/39/497904239.db2.gz WNNGNTFSGXFPGJ-UHFFFAOYSA-N 1 2 358.482 3.328 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329824342 497915418 /nfs/dbraw/zinc/91/54/18/497915418.db2.gz HVAOELSDKXRIRQ-MZMPZRCHSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329824342 497915420 /nfs/dbraw/zinc/91/54/20/497915420.db2.gz HVAOELSDKXRIRQ-MZMPZRCHSA-N 1 2 360.454 3.324 20 30 FGEDLO CC(C)[C@@H](C(=O)NCc1nnc(C(C)(C)C)s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329868283 497933832 /nfs/dbraw/zinc/93/38/32/497933832.db2.gz XGBLHUVLDVTSMF-GUTXKFCHSA-N 1 2 368.547 3.426 20 30 FGEDLO CC(C)[C@@H](C(=O)NCc1nnc(C(C)(C)C)s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329868283 497933836 /nfs/dbraw/zinc/93/38/36/497933836.db2.gz XGBLHUVLDVTSMF-GUTXKFCHSA-N 1 2 368.547 3.426 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2ccc3c(c2)OC(F)(F)O3)C[C@@H]1n1cc[nH+]c1 ZINC000329887426 497939742 /nfs/dbraw/zinc/93/97/42/497939742.db2.gz XJWVCXWODFGACD-YPMHNXCESA-N 1 2 364.352 3.333 20 30 FGEDLO N#Cc1nc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1Cl ZINC000301137851 497966966 /nfs/dbraw/zinc/96/69/66/497966966.db2.gz DKYSEKMLPDRBKK-UHFFFAOYSA-N 1 2 369.856 3.122 20 30 FGEDLO N#Cc1c(F)cccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000301153582 497973686 /nfs/dbraw/zinc/97/36/86/497973686.db2.gz QGFOSLIAAVMAGR-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCc3ccccc32)cn1 ZINC000329979025 497976762 /nfs/dbraw/zinc/97/67/62/497976762.db2.gz ITKFLHQKHUCCRF-CMKODMSKSA-N 1 2 370.472 3.409 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCc3ccccc32)cn1 ZINC000329979025 497976769 /nfs/dbraw/zinc/97/67/69/497976769.db2.gz ITKFLHQKHUCCRF-CMKODMSKSA-N 1 2 370.472 3.409 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](O)C1CCCCC1 ZINC000329980874 497979063 /nfs/dbraw/zinc/97/90/63/497979063.db2.gz MEIWROIBPOEIDZ-XYJFISCASA-N 1 2 367.465 3.102 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](O)C1CCCCC1 ZINC000329980874 497979069 /nfs/dbraw/zinc/97/90/69/497979069.db2.gz MEIWROIBPOEIDZ-XYJFISCASA-N 1 2 367.465 3.102 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@]2(CCOC2)O1 ZINC000330085347 498016657 /nfs/dbraw/zinc/01/66/57/498016657.db2.gz CVFSLWJEQFRIRZ-NRSPTQNISA-N 1 2 358.482 3.364 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@]2(CCOC2)O1 ZINC000330085347 498016666 /nfs/dbraw/zinc/01/66/66/498016666.db2.gz CVFSLWJEQFRIRZ-NRSPTQNISA-N 1 2 358.482 3.364 20 30 FGEDLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1nc2c(s1)CCCC2 ZINC000330106750 498023237 /nfs/dbraw/zinc/02/32/37/498023237.db2.gz LGFVSVHDCRPAFM-CYBMUJFWSA-N 1 2 358.467 3.158 20 30 FGEDLO O=C(C[N@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1nc2c(s1)CCCC2 ZINC000330106750 498023240 /nfs/dbraw/zinc/02/32/40/498023240.db2.gz LGFVSVHDCRPAFM-CYBMUJFWSA-N 1 2 358.467 3.158 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(F)c1 ZINC000330134669 498034080 /nfs/dbraw/zinc/03/40/80/498034080.db2.gz SCSQIOIADIDCDZ-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(F)c1 ZINC000330134669 498034087 /nfs/dbraw/zinc/03/40/87/498034087.db2.gz SCSQIOIADIDCDZ-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@]2(CCOC2)O1 ZINC000330157903 498043139 /nfs/dbraw/zinc/04/31/39/498043139.db2.gz PSBBAKHOTKQYDP-QEORTHHSSA-N 1 2 353.488 3.006 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@]2(CCOC2)O1 ZINC000330157903 498043146 /nfs/dbraw/zinc/04/31/46/498043146.db2.gz PSBBAKHOTKQYDP-QEORTHHSSA-N 1 2 353.488 3.006 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(OC(C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330182536 498052861 /nfs/dbraw/zinc/05/28/61/498052861.db2.gz HHVBYHCMXLKWQV-QGZVFWFLSA-N 1 2 371.485 3.430 20 30 FGEDLO Cc1nc(N2CCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)cc[nH+]1 ZINC000330226600 498068551 /nfs/dbraw/zinc/06/85/51/498068551.db2.gz UOGVEJYRLYTDKQ-HNNXBMFYSA-N 1 2 367.444 3.037 20 30 FGEDLO Cc1cccnc1OC1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330228820 498069934 /nfs/dbraw/zinc/06/99/34/498069934.db2.gz CQSHESAHXMNYGF-UHFFFAOYSA-N 1 2 374.485 3.436 20 30 FGEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000330228349 498070263 /nfs/dbraw/zinc/07/02/63/498070263.db2.gz CLACOEIAMZVSKQ-QUCCMNQESA-N 1 2 373.497 3.144 20 30 FGEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330233233 498071260 /nfs/dbraw/zinc/07/12/60/498071260.db2.gz FWVIRWJEBSYQQU-CQSZACIVSA-N 1 2 374.510 3.426 20 30 FGEDLO CC(C)c1noc([C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C2CCOCC2)n1 ZINC000330243310 498076453 /nfs/dbraw/zinc/07/64/53/498076453.db2.gz CONDWPNFJVBKSX-GOEBONIOSA-N 1 2 373.457 3.076 20 30 FGEDLO CCN1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330350577 498114730 /nfs/dbraw/zinc/11/47/30/498114730.db2.gz LGNCLTFWOQAYJB-LBPRGKRZSA-N 1 2 362.503 3.088 20 30 FGEDLO CC(C)N(C)c1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330358384 498117760 /nfs/dbraw/zinc/11/77/60/498117760.db2.gz UTLSOSONLZSFRZ-VQIMIIECSA-N 1 2 371.485 3.320 20 30 FGEDLO COc1c(Cl)cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000330422952 498129871 /nfs/dbraw/zinc/12/98/71/498129871.db2.gz GMAAVBKYVUWQLF-JTQLQIEISA-N 1 2 362.257 3.049 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000301608419 498185395 /nfs/dbraw/zinc/18/53/95/498185395.db2.gz ZZUYVUHFQDTNRH-ZDUSSCGKSA-N 1 2 369.469 3.167 20 30 FGEDLO N#Cc1ccc(Cl)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301626187 498194603 /nfs/dbraw/zinc/19/46/03/498194603.db2.gz HGKKKOINYOYWLR-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO N#Cc1ccc(Cl)cc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301626187 498194607 /nfs/dbraw/zinc/19/46/07/498194607.db2.gz HGKKKOINYOYWLR-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO C=CCOc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000285768440 498195313 /nfs/dbraw/zinc/19/53/13/498195313.db2.gz BSIHFVLDXFHDHS-UHFFFAOYSA-N 1 2 366.461 3.014 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1F ZINC000330831235 498202922 /nfs/dbraw/zinc/20/29/22/498202922.db2.gz QZJWVPNJSPOFEL-CHWSQXEVSA-N 1 2 371.428 3.187 20 30 FGEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(Cl)c1 ZINC000578694773 505998450 /nfs/dbraw/zinc/99/84/50/505998450.db2.gz FVVRNZXETXXKNL-GOSISDBHSA-N 1 2 358.825 3.476 20 30 FGEDLO N#CC1(NC(=O)[C@@H]2CC(=O)c3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000364968556 498232484 /nfs/dbraw/zinc/23/24/84/498232484.db2.gz GILDQGPUDSVYFC-HXUWFJFHSA-N 1 2 373.456 3.031 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000281794557 498271344 /nfs/dbraw/zinc/27/13/44/498271344.db2.gz MHDLGNCSNPXARW-SFHVURJKSA-N 1 2 352.438 3.102 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000575824623 506012573 /nfs/dbraw/zinc/01/25/73/506012573.db2.gz AZKDMHBCNCTATF-UHFFFAOYSA-N 1 2 350.422 3.207 20 30 FGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302094254 498404421 /nfs/dbraw/zinc/40/44/21/498404421.db2.gz NITHTJUMLNGWIX-CQSZACIVSA-N 1 2 367.403 3.367 20 30 FGEDLO CCN1CCN(C2CC[NH+](Cc3ccc(F)c(C#N)c3Cl)CC2)C1=O ZINC000365433086 498464852 /nfs/dbraw/zinc/46/48/52/498464852.db2.gz PLKMWDNONOCBMT-UHFFFAOYSA-N 1 2 364.852 3.073 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000569912547 506045569 /nfs/dbraw/zinc/04/55/69/506045569.db2.gz IAPYWBBOAJMUSR-MJGOQNOKSA-N 1 2 363.465 3.189 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000569912547 506045571 /nfs/dbraw/zinc/04/55/71/506045571.db2.gz IAPYWBBOAJMUSR-MJGOQNOKSA-N 1 2 363.465 3.189 20 30 FGEDLO N#Cc1cc(NCc2cccnc2-n2cc[nH+]c2)nc2ccc([N+](=O)[O-])cc12 ZINC000302620460 498519815 /nfs/dbraw/zinc/51/98/15/498519815.db2.gz DMJRXSVOIAJHIO-UHFFFAOYSA-N 1 2 371.360 3.207 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282499343 498535447 /nfs/dbraw/zinc/53/54/47/498535447.db2.gz JMEXGLWSNHGDMF-GOSISDBHSA-N 1 2 363.465 3.180 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000294011510 498561121 /nfs/dbraw/zinc/56/11/21/498561121.db2.gz MKDZFFAWSARCIN-UHFFFAOYSA-N 1 2 371.268 3.073 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000332114153 498566155 /nfs/dbraw/zinc/56/61/55/498566155.db2.gz JRWGPXDWQROIHP-ZDUSSCGKSA-N 1 2 372.831 3.265 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000332135165 498574451 /nfs/dbraw/zinc/57/44/51/498574451.db2.gz KIOMLYMFNMOXHF-QGZVFWFLSA-N 1 2 368.525 3.471 20 30 FGEDLO C[C@H](c1nccs1)[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000287064389 498613188 /nfs/dbraw/zinc/61/31/88/498613188.db2.gz XMYXWEAXMRRJKQ-GFCCVEGCSA-N 1 2 372.885 3.199 20 30 FGEDLO Cn1ncc2c1nc(NCc1ccc(-c3ccccc3C#N)cc1)[nH+]c2N ZINC000302879946 498613494 /nfs/dbraw/zinc/61/34/94/498613494.db2.gz IACUYTWOCONGET-UHFFFAOYSA-N 1 2 355.405 3.096 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000365771838 498633704 /nfs/dbraw/zinc/63/37/04/498633704.db2.gz MOVVXGGCJXCJMU-UHFFFAOYSA-N 1 2 357.417 3.147 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000298214350 498696395 /nfs/dbraw/zinc/69/63/95/498696395.db2.gz VAKJEGLSPVDXPS-UHMOLFJZSA-N 1 2 363.465 3.493 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000366093044 498771695 /nfs/dbraw/zinc/77/16/95/498771695.db2.gz NVILQNDCEFYCEU-RXVVDRJESA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000366093044 498771704 /nfs/dbraw/zinc/77/17/04/498771704.db2.gz NVILQNDCEFYCEU-RXVVDRJESA-N 1 2 361.530 3.198 20 30 FGEDLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2[nH+]1 ZINC000570101941 506091062 /nfs/dbraw/zinc/09/10/62/506091062.db2.gz PUJUYQILEPJXPL-AWEZNQCLSA-N 1 2 363.396 3.347 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000581986552 506106380 /nfs/dbraw/zinc/10/63/80/506106380.db2.gz ILLFYWUWZVPSJB-AQNXPRMDSA-N 1 2 368.481 3.274 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)CCC2 ZINC000328642087 498887161 /nfs/dbraw/zinc/88/71/61/498887161.db2.gz DQIRDRKXBDMKCV-YESZJQIVSA-N 1 2 362.518 3.414 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)C2CCCCC2)nc[nH+]1 ZINC000328687946 498901894 /nfs/dbraw/zinc/90/18/94/498901894.db2.gz HJIOBCJLTLWYNH-DOTOQJQBSA-N 1 2 374.533 3.302 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)C2CCCCC2)[nH+]cn1 ZINC000328687946 498901900 /nfs/dbraw/zinc/90/19/00/498901900.db2.gz HJIOBCJLTLWYNH-DOTOQJQBSA-N 1 2 374.533 3.302 20 30 FGEDLO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000328691629 498903160 /nfs/dbraw/zinc/90/31/60/498903160.db2.gz DYTJHDQALKOPSC-OXQOHEQNSA-N 1 2 367.497 3.090 20 30 FGEDLO C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCC(=O)NC1 ZINC000328696003 498905331 /nfs/dbraw/zinc/90/53/31/498905331.db2.gz DFALCZRVJBFUQC-GDZNZVCISA-N 1 2 353.463 3.374 20 30 FGEDLO C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCC(=O)NC1 ZINC000328696003 498905336 /nfs/dbraw/zinc/90/53/36/498905336.db2.gz DFALCZRVJBFUQC-GDZNZVCISA-N 1 2 353.463 3.374 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@@H]1CCOc3ccccc31)CCC2 ZINC000328698886 498906258 /nfs/dbraw/zinc/90/62/58/498906258.db2.gz HWJSKXHGHJPYGR-HOTGVXAUSA-N 1 2 354.454 3.139 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@@H]1CCOc3ccccc31)CCC2 ZINC000328698886 498906265 /nfs/dbraw/zinc/90/62/65/498906265.db2.gz HWJSKXHGHJPYGR-HOTGVXAUSA-N 1 2 354.454 3.139 20 30 FGEDLO C=CCOc1ccccc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000363627178 498911754 /nfs/dbraw/zinc/91/17/54/498911754.db2.gz MVMTXLZSFBEPEE-UHFFFAOYSA-N 1 2 351.450 3.387 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000328749403 498925599 /nfs/dbraw/zinc/92/55/99/498925599.db2.gz BNLASOBMLUJRQI-ZWKOTPCHSA-N 1 2 359.470 3.163 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CC#N ZINC000295229328 498950062 /nfs/dbraw/zinc/95/00/62/498950062.db2.gz WRGXRJGYUINKRL-INIZCTEOSA-N 1 2 374.510 3.079 20 30 FGEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000570221419 506118425 /nfs/dbraw/zinc/11/84/25/506118425.db2.gz GNVUBOOIPDPQGO-UHFFFAOYSA-N 1 2 362.437 3.490 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932117 498989833 /nfs/dbraw/zinc/98/98/33/498989833.db2.gz BMGBSTYEZJHNIS-RYQLBKOJSA-N 1 2 350.434 3.238 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932117 498989837 /nfs/dbraw/zinc/98/98/37/498989837.db2.gz BMGBSTYEZJHNIS-RYQLBKOJSA-N 1 2 350.434 3.238 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328933988 498989897 /nfs/dbraw/zinc/98/98/97/498989897.db2.gz DZNKUFQGJOLMRP-PHXBYCTMSA-N 1 2 366.465 3.426 20 30 FGEDLO N#CCCn1cc(C[NH2+]Cc2nccc(C(F)F)n2)c(-c2ccccc2)n1 ZINC000288428795 499022660 /nfs/dbraw/zinc/02/26/60/499022660.db2.gz KPRUSGQLWWAPBX-UHFFFAOYSA-N 1 2 368.391 3.481 20 30 FGEDLO C[C@@H]1CC(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C[C@@H](C)O1 ZINC000329081524 499035908 /nfs/dbraw/zinc/03/59/08/499035908.db2.gz DDIIJNJAVAYGIE-CHWSQXEVSA-N 1 2 358.442 3.191 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333819208 499082223 /nfs/dbraw/zinc/08/22/23/499082223.db2.gz HFDJNTWYLWCKMF-CQSZACIVSA-N 1 2 373.522 3.207 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)sc2c1CCCCC2 ZINC000333819208 499082226 /nfs/dbraw/zinc/08/22/26/499082226.db2.gz HFDJNTWYLWCKMF-CQSZACIVSA-N 1 2 373.522 3.207 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCCNC2=O)[NH+]2CCOCC2)cc1 ZINC000329254853 499084812 /nfs/dbraw/zinc/08/48/12/499084812.db2.gz XAOHFTUZHDCHEZ-OALUTQOASA-N 1 2 373.497 3.472 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)c1 ZINC000364032061 499092358 /nfs/dbraw/zinc/09/23/58/499092358.db2.gz HKODHJAPWJVIPV-QGZVFWFLSA-N 1 2 374.419 3.440 20 30 FGEDLO Cc1ccc2[nH+]c(/C=C/C(=O)c3ccc(N4CCC(O)CC4)cc3)cn2c1 ZINC000284383145 499098055 /nfs/dbraw/zinc/09/80/55/499098055.db2.gz MBMKHTCZBGFDNF-VMPITWQZSA-N 1 2 361.445 3.500 20 30 FGEDLO Cc1cc(N2CCC(NC(=O)c3cc4[nH]cnc4cc3F)CC2)nc(C)[nH+]1 ZINC000329357495 499107840 /nfs/dbraw/zinc/10/78/40/499107840.db2.gz GAEZSALWAQDCQM-UHFFFAOYSA-N 1 2 368.416 3.082 20 30 FGEDLO Cc1cc(NC(=O)N(C)Cc2cnccn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329364030 499109620 /nfs/dbraw/zinc/10/96/20/499109620.db2.gz ZXFRXLUHMRPHRC-HNNXBMFYSA-N 1 2 354.458 3.236 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000329387168 499113043 /nfs/dbraw/zinc/11/30/43/499113043.db2.gz QBBWTNKMHBVETH-CQSZACIVSA-N 1 2 371.460 3.179 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H](C)O1 ZINC000329389476 499113684 /nfs/dbraw/zinc/11/36/84/499113684.db2.gz ULACVHSGDLIANI-UKRRQHHQSA-N 1 2 352.504 3.174 20 30 FGEDLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000329417839 499118313 /nfs/dbraw/zinc/11/83/13/499118313.db2.gz DMUMGHRYYWNZTA-YPMHNXCESA-N 1 2 367.291 3.379 20 30 FGEDLO C[C@H](c1ncc(Br)cn1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000329417839 499118314 /nfs/dbraw/zinc/11/83/14/499118314.db2.gz DMUMGHRYYWNZTA-YPMHNXCESA-N 1 2 367.291 3.379 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000329436229 499121219 /nfs/dbraw/zinc/12/12/19/499121219.db2.gz JUAROONWGHOLRL-FZMZJTMJSA-N 1 2 355.364 3.056 20 30 FGEDLO CCOC1CC2(C1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)C2 ZINC000329460244 499124821 /nfs/dbraw/zinc/12/48/21/499124821.db2.gz SAMOBZGNUHVECA-IZINQKCZSA-N 1 2 374.529 3.300 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCOCC1 ZINC000329478754 499126851 /nfs/dbraw/zinc/12/68/51/499126851.db2.gz ORRQRJUTHCZXJY-ZIAGYGMSSA-N 1 2 374.407 3.076 20 30 FGEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000372469164 499131400 /nfs/dbraw/zinc/13/14/00/499131400.db2.gz SIHBXCAMVIOAOB-UHFFFAOYSA-N 1 2 354.454 3.323 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000372537284 499142056 /nfs/dbraw/zinc/14/20/56/499142056.db2.gz HWWBWHIAAVUJQU-NVXWUHKLSA-N 1 2 363.506 3.119 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000372537284 499142058 /nfs/dbraw/zinc/14/20/58/499142058.db2.gz HWWBWHIAAVUJQU-NVXWUHKLSA-N 1 2 363.506 3.119 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079044 499145060 /nfs/dbraw/zinc/14/50/60/499145060.db2.gz RSGCWCNAJNRITQ-YLJYHZDGSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3Cl)CCO2)c1 ZINC000367079044 499145062 /nfs/dbraw/zinc/14/50/62/499145062.db2.gz RSGCWCNAJNRITQ-YLJYHZDGSA-N 1 2 372.852 3.025 20 30 FGEDLO CCCn1nccc1C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000370307189 499208087 /nfs/dbraw/zinc/20/80/87/499208087.db2.gz FYVYTHINLCGJDD-FQEVSTJZSA-N 1 2 366.465 3.258 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000370739020 499250121 /nfs/dbraw/zinc/25/01/21/499250121.db2.gz LPQXZHWTRNLMRR-MRXNPFEDSA-N 1 2 352.413 3.483 20 30 FGEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)no1 ZINC000370762907 499252117 /nfs/dbraw/zinc/25/21/17/499252117.db2.gz USPNLJCJBGDGGK-AWEZNQCLSA-N 1 2 367.453 3.271 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)CCC2 ZINC000370955295 499274160 /nfs/dbraw/zinc/27/41/60/499274160.db2.gz YMZSXNBCWLGVPU-SFHVURJKSA-N 1 2 366.465 3.306 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000368506275 499302916 /nfs/dbraw/zinc/30/29/16/499302916.db2.gz BVCBFEBASVJHPX-UHFFFAOYSA-N 1 2 354.772 3.466 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)o2)cc1 ZINC000368625785 499315174 /nfs/dbraw/zinc/31/51/74/499315174.db2.gz RPDOTUIFJYDWMR-KRWDZBQOSA-N 1 2 368.824 3.475 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CC(=O)Nc4cccc5c4[C@@H]3CCC5)n2c1 ZINC000368633830 499316100 /nfs/dbraw/zinc/31/61/00/499316100.db2.gz OGTJASLXHUBPFC-SFHVURJKSA-N 1 2 357.417 3.038 20 30 FGEDLO Cc1ccnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000368961234 499350995 /nfs/dbraw/zinc/35/09/95/499350995.db2.gz GONHFOVDUWUSLQ-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000369082553 499363958 /nfs/dbraw/zinc/36/39/58/499363958.db2.gz FVCVDTJSMHVYDF-HNNXBMFYSA-N 1 2 350.344 3.250 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)sc1C ZINC000369128277 499368585 /nfs/dbraw/zinc/36/85/85/499368585.db2.gz SAJJFHJMPOQZRA-MRXNPFEDSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)sc1C ZINC000369128277 499368587 /nfs/dbraw/zinc/36/85/87/499368587.db2.gz SAJJFHJMPOQZRA-MRXNPFEDSA-N 1 2 371.462 3.326 20 30 FGEDLO C=CCCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000372161185 499404356 /nfs/dbraw/zinc/40/43/56/499404356.db2.gz UFGZAVHESJPDJS-UHFFFAOYSA-N 1 2 364.449 3.013 20 30 FGEDLO COc1ccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn2C)cc1 ZINC000372288780 499416885 /nfs/dbraw/zinc/41/68/85/499416885.db2.gz UKVRPBLUTBEKNM-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO N#Cc1c(NC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)sc2c1CCCCC2 ZINC000378438103 499516718 /nfs/dbraw/zinc/51/67/18/499516718.db2.gz VCNYATRQKCKDCZ-HNNXBMFYSA-N 1 2 369.494 3.387 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3C)C2)c(C#N)c1C ZINC000375458033 499521403 /nfs/dbraw/zinc/52/14/03/499521403.db2.gz MESYRIYCHAWAIS-OAHLLOKOSA-N 1 2 370.478 3.032 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3C)C2)c(C#N)c1C ZINC000375458033 499521404 /nfs/dbraw/zinc/52/14/04/499521404.db2.gz MESYRIYCHAWAIS-OAHLLOKOSA-N 1 2 370.478 3.032 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000375461591 499521621 /nfs/dbraw/zinc/52/16/21/499521621.db2.gz HQUUIZNOACVROD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000375461591 499521623 /nfs/dbraw/zinc/52/16/23/499521623.db2.gz HQUUIZNOACVROD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375731855 499549535 /nfs/dbraw/zinc/54/95/35/499549535.db2.gz PGNLIIMWYYDNTJ-GJZGRUSLSA-N 1 2 353.426 3.122 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3C#N)CCCCCC2)no1 ZINC000411345394 499727859 /nfs/dbraw/zinc/72/78/59/499727859.db2.gz GZJYLWNULWBPBQ-UHFFFAOYSA-N 1 2 367.453 3.418 20 30 FGEDLO CC(C)c1cc(Br)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414152994 499764605 /nfs/dbraw/zinc/76/46/05/499764605.db2.gz RNONITOBYBHLFD-AWEZNQCLSA-N 1 2 355.276 3.158 20 30 FGEDLO CC(C)c1cc(Br)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414152994 499764606 /nfs/dbraw/zinc/76/46/06/499764606.db2.gz RNONITOBYBHLFD-AWEZNQCLSA-N 1 2 355.276 3.158 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000412185957 499831947 /nfs/dbraw/zinc/83/19/47/499831947.db2.gz YRAMAICREXCNNT-LEWJYISDSA-N 1 2 370.456 3.417 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000412202193 499833568 /nfs/dbraw/zinc/83/35/68/499833568.db2.gz ZHWNSWQGHFHVCR-LEWJYISDSA-N 1 2 363.436 3.145 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N[C@H]3CCCc4cc(C#N)ccc43)[nH+]c2c1 ZINC000416703027 500091933 /nfs/dbraw/zinc/09/19/33/500091933.db2.gz ZYIUPMYMPYPWGB-IBGZPJMESA-N 1 2 359.433 3.391 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425564792 500148458 /nfs/dbraw/zinc/14/84/58/500148458.db2.gz MMGGVQWKZKFIKA-SXLOBPIMSA-N 1 2 368.481 3.132 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570503027 506182779 /nfs/dbraw/zinc/18/27/79/506182779.db2.gz HIUWXLBWBHNELC-SZMVWBNQSA-N 1 2 364.449 3.260 20 30 FGEDLO N#CCCn1ncc(C(=O)NCc2ccn3cc[nH+]c3c2)c1-c1ccccc1 ZINC000430291065 500222280 /nfs/dbraw/zinc/22/22/80/500222280.db2.gz PBCHMBWHJOJMAK-UHFFFAOYSA-N 1 2 370.416 3.041 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cc1C#N ZINC000427202515 500366150 /nfs/dbraw/zinc/36/61/50/500366150.db2.gz GBRRPKUSAMNJRA-UHFFFAOYSA-N 1 2 366.402 3.250 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)c1 ZINC000428001114 500456758 /nfs/dbraw/zinc/45/67/58/500456758.db2.gz OEAZNIFHXBQVRS-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)nn1 ZINC000424292388 500482443 /nfs/dbraw/zinc/48/24/43/500482443.db2.gz GTPYVEMXVCDYQX-NSHDSACASA-N 1 2 351.248 3.086 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000428302648 500493580 /nfs/dbraw/zinc/49/35/80/500493580.db2.gz NFEXSJHHFLRZLJ-UHFFFAOYSA-N 1 2 353.397 3.254 20 30 FGEDLO N#Cc1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)nc2ccccc12 ZINC000582385325 506200014 /nfs/dbraw/zinc/20/00/14/506200014.db2.gz XTEFOXNXVWGKDX-UHFFFAOYSA-N 1 2 372.428 3.191 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298363 500587515 /nfs/dbraw/zinc/58/75/15/500587515.db2.gz GLLVLGJGMOHJQB-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298363 500587517 /nfs/dbraw/zinc/58/75/17/500587517.db2.gz GLLVLGJGMOHJQB-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298360 500587576 /nfs/dbraw/zinc/58/75/76/500587576.db2.gz GLLVLGJGMOHJQB-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000447298360 500587577 /nfs/dbraw/zinc/58/75/77/500587577.db2.gz GLLVLGJGMOHJQB-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO CC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1[nH]cc[nH+]1 ZINC000443131318 500685249 /nfs/dbraw/zinc/68/52/49/500685249.db2.gz OTUDSYURAKCBSW-INIZCTEOSA-N 1 2 350.378 3.334 20 30 FGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000443512936 500732918 /nfs/dbraw/zinc/73/29/18/500732918.db2.gz UQKLEMRVUJHXJV-UHFFFAOYSA-N 1 2 353.376 3.050 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000438121610 500740589 /nfs/dbraw/zinc/74/05/89/500740589.db2.gz VIUINORKMQRTIT-LRTDBIEQSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000438121610 500740592 /nfs/dbraw/zinc/74/05/92/500740592.db2.gz VIUINORKMQRTIT-LRTDBIEQSA-N 1 2 360.392 3.152 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448692490 500805187 /nfs/dbraw/zinc/80/51/87/500805187.db2.gz XDLIQMDERZMIJK-XYPHTWIQSA-N 1 2 366.864 3.323 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000438918599 500835181 /nfs/dbraw/zinc/83/51/81/500835181.db2.gz NTVSHRQRWBGBRC-ISKFKSNPSA-N 1 2 371.484 3.107 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580200 506221602 /nfs/dbraw/zinc/22/16/02/506221602.db2.gz SVHMJEZGQSTDFG-GHMZBOCLSA-N 1 2 369.437 3.139 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580200 506221603 /nfs/dbraw/zinc/22/16/03/506221603.db2.gz SVHMJEZGQSTDFG-GHMZBOCLSA-N 1 2 369.437 3.139 20 30 FGEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC000434790768 500895841 /nfs/dbraw/zinc/89/58/41/500895841.db2.gz YLTQECGCPMNBKQ-JQHMZKTJSA-N 1 2 369.509 3.373 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC000434790768 500895845 /nfs/dbraw/zinc/89/58/45/500895845.db2.gz YLTQECGCPMNBKQ-JQHMZKTJSA-N 1 2 369.509 3.373 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000444785634 500900475 /nfs/dbraw/zinc/90/04/75/500900475.db2.gz YVLOHSYSIGFKPY-OAQYLSRUSA-N 1 2 371.481 3.131 20 30 FGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000444785634 500900476 /nfs/dbraw/zinc/90/04/76/500900476.db2.gz YVLOHSYSIGFKPY-OAQYLSRUSA-N 1 2 371.481 3.131 20 30 FGEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000439487101 500904900 /nfs/dbraw/zinc/90/49/00/500904900.db2.gz ZVTUQVYPOOHSKK-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000439487101 500904902 /nfs/dbraw/zinc/90/49/02/500904902.db2.gz ZVTUQVYPOOHSKK-CVEARBPZSA-N 1 2 361.511 3.378 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)c1 ZINC000435044028 500926596 /nfs/dbraw/zinc/92/65/96/500926596.db2.gz DEPGQVFFNJRPNK-UHFFFAOYSA-N 1 2 360.461 3.292 20 30 FGEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000441135483 501093373 /nfs/dbraw/zinc/09/33/73/501093373.db2.gz TVDPYLQHJBSOLQ-FQEVSTJZSA-N 1 2 359.429 3.473 20 30 FGEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000441135483 501093376 /nfs/dbraw/zinc/09/33/76/501093376.db2.gz TVDPYLQHJBSOLQ-FQEVSTJZSA-N 1 2 359.429 3.473 20 30 FGEDLO CSc1ccc(OCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000441175363 501098900 /nfs/dbraw/zinc/09/89/00/501098900.db2.gz NSBBEDZFIIKJPL-UHFFFAOYSA-N 1 2 367.518 3.477 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000449966676 501139828 /nfs/dbraw/zinc/13/98/28/501139828.db2.gz RAJHUYZMLPTAFF-AWEZNQCLSA-N 1 2 356.857 3.069 20 30 FGEDLO N#Cc1ccc(N2CCN(Cc3cccc4[nH+]ccn43)CC2)c(Cl)c1 ZINC000446918879 501181577 /nfs/dbraw/zinc/18/15/77/501181577.db2.gz PPXONRPTPFBYIQ-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3cccc(C#N)c3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000450252755 501219566 /nfs/dbraw/zinc/21/95/66/501219566.db2.gz ALXOQNAFOHQFQS-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451019918 501239640 /nfs/dbraw/zinc/23/96/40/501239640.db2.gz UMFDOBYIHWSVKN-INIZCTEOSA-N 1 2 359.861 3.115 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451019918 501239641 /nfs/dbraw/zinc/23/96/41/501239641.db2.gz UMFDOBYIHWSVKN-INIZCTEOSA-N 1 2 359.861 3.115 20 30 FGEDLO C=C(C)CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000455314455 501269589 /nfs/dbraw/zinc/26/95/89/501269589.db2.gz SBDRFWLWIYWOHK-UHFFFAOYSA-N 1 2 350.466 3.410 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC(C)(C)CC#N)c(C)c1 ZINC000451347357 501272169 /nfs/dbraw/zinc/27/21/69/501272169.db2.gz ODXJVHYFAFFMDH-SFHVURJKSA-N 1 2 374.510 3.101 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000455481365 501314837 /nfs/dbraw/zinc/31/48/37/501314837.db2.gz WZQOMRKDIKPPGU-SZMVWBNQSA-N 1 2 351.454 3.445 20 30 FGEDLO C=CCC[C@H]([NH2+]Cc1nn(C)cc1I)c1ccco1 ZINC000453386433 501323409 /nfs/dbraw/zinc/32/34/09/501323409.db2.gz VJMTVFCDMOBGQE-LBPRGKRZSA-N 1 2 371.222 3.415 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000602672605 506257108 /nfs/dbraw/zinc/25/71/08/506257108.db2.gz MWRWZRGXSBMYEA-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1c[nH+]ccc1OC ZINC000458818604 501537738 /nfs/dbraw/zinc/53/77/38/501537738.db2.gz ZPAHFXAAKZEFQH-UHFFFAOYSA-N 1 2 357.458 3.156 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000459413564 501649730 /nfs/dbraw/zinc/64/97/30/501649730.db2.gz UJFDUVZPSXEQBN-UHFFFAOYSA-N 1 2 369.396 3.175 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c(Cl)c1 ZINC000459510640 501666766 /nfs/dbraw/zinc/66/67/66/501666766.db2.gz PEPWBJYNWIBBNL-UHFFFAOYSA-N 1 2 353.857 3.201 20 30 FGEDLO C=CCc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc(OC)c1OC ZINC000457293050 501677263 /nfs/dbraw/zinc/67/72/63/501677263.db2.gz PEVGCRDDPGSRAA-UHFFFAOYSA-N 1 2 361.467 3.203 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)(CO)C2)cc1OCC ZINC000459624566 501689041 /nfs/dbraw/zinc/68/90/41/501689041.db2.gz WCQRKZAOSJSKIB-UHFFFAOYSA-N 1 2 370.287 3.227 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459731018 501705901 /nfs/dbraw/zinc/70/59/01/501705901.db2.gz SRXRXYSIJBCOLZ-DOTOQJQBSA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459731018 501705903 /nfs/dbraw/zinc/70/59/03/501705903.db2.gz SRXRXYSIJBCOLZ-DOTOQJQBSA-N 1 2 358.507 3.404 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000470920262 501856356 /nfs/dbraw/zinc/85/63/56/501856356.db2.gz SAZGCTNRXWGKDI-LQWHRVPQSA-N 1 2 369.509 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000470920262 501856361 /nfs/dbraw/zinc/85/63/61/501856361.db2.gz SAZGCTNRXWGKDI-LQWHRVPQSA-N 1 2 369.509 3.438 20 30 FGEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3cccc4ccccc43)C2)cc1 ZINC000460599188 501872264 /nfs/dbraw/zinc/87/22/64/501872264.db2.gz RNRFXVBDSFQEKQ-LJQANCHMSA-N 1 2 374.440 3.214 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000474700586 501926471 /nfs/dbraw/zinc/92/64/71/501926471.db2.gz GPCZJPWKKHIAEB-UHFFFAOYSA-N 1 2 354.360 3.153 20 30 FGEDLO CC(C)[C@H](C#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000464316796 501952924 /nfs/dbraw/zinc/95/29/24/501952924.db2.gz YXIGVUVTAYMDBK-HOTGVXAUSA-N 1 2 364.287 3.250 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)on2)c1 ZINC000468256833 502007977 /nfs/dbraw/zinc/00/79/77/502007977.db2.gz IWENDIBBDPQSNJ-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000464755221 502083746 /nfs/dbraw/zinc/08/37/46/502083746.db2.gz IUQGROIIWKZMQR-YOEHRIQHSA-N 1 2 365.905 3.366 20 30 FGEDLO C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000464755221 502083747 /nfs/dbraw/zinc/08/37/47/502083747.db2.gz IUQGROIIWKZMQR-YOEHRIQHSA-N 1 2 365.905 3.366 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508676 502093205 /nfs/dbraw/zinc/09/32/05/502093205.db2.gz OKOYUOZDPZTDQV-WBVHZDCISA-N 1 2 360.454 3.151 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000482508676 502093208 /nfs/dbraw/zinc/09/32/08/502093208.db2.gz OKOYUOZDPZTDQV-WBVHZDCISA-N 1 2 360.454 3.151 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000475551928 502210680 /nfs/dbraw/zinc/21/06/80/502210680.db2.gz VIABTKWXYKTVEV-OAHLLOKOSA-N 1 2 354.303 3.419 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000475551927 502211026 /nfs/dbraw/zinc/21/10/26/502211026.db2.gz VIABTKWXYKTVEV-HNNXBMFYSA-N 1 2 354.303 3.419 20 30 FGEDLO C[C@@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000462075044 502296957 /nfs/dbraw/zinc/29/69/57/502296957.db2.gz PVDXYTXAXIUWTQ-FZKQIMNGSA-N 1 2 357.404 3.359 20 30 FGEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000483251947 502327569 /nfs/dbraw/zinc/32/75/69/502327569.db2.gz UPHDPWUPIFFQPO-GFCCVEGCSA-N 1 2 363.177 3.395 20 30 FGEDLO Clc1ccc2nc(CN3CC[NH+](CC#Cc4ccccc4)CC3)cn2c1 ZINC000483552053 502429060 /nfs/dbraw/zinc/42/90/60/502429060.db2.gz MTJGTWMJMIWUEW-UHFFFAOYSA-N 1 2 364.880 3.157 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469699188 502506544 /nfs/dbraw/zinc/50/65/44/502506544.db2.gz SCEFHPAEAPNCKH-BVPBIZIASA-N 1 2 366.864 3.322 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469699188 502506548 /nfs/dbraw/zinc/50/65/48/502506548.db2.gz SCEFHPAEAPNCKH-BVPBIZIASA-N 1 2 366.864 3.322 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(N4CCO[C@H](C)C4)[nH+]c3)c2c1 ZINC000488056088 502613485 /nfs/dbraw/zinc/61/34/85/502613485.db2.gz JZPVMBCOPWHVQX-MRXNPFEDSA-N 1 2 373.460 3.069 20 30 FGEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854245 506327266 /nfs/dbraw/zinc/32/72/66/506327266.db2.gz NZMAVHJOKQQCSF-MJBXVCDLSA-N 1 2 359.474 3.323 20 30 FGEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854245 506327276 /nfs/dbraw/zinc/32/72/76/506327276.db2.gz NZMAVHJOKQQCSF-MJBXVCDLSA-N 1 2 359.474 3.323 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854240 506327682 /nfs/dbraw/zinc/32/76/82/506327682.db2.gz NZMAVHJOKQQCSF-MGPQQGTHSA-N 1 2 359.474 3.323 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267228 502724652 /nfs/dbraw/zinc/72/46/52/502724652.db2.gz QZMZJUHICYOSEO-BBRMVZONSA-N 1 2 366.868 3.245 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267228 502724655 /nfs/dbraw/zinc/72/46/55/502724655.db2.gz QZMZJUHICYOSEO-BBRMVZONSA-N 1 2 366.868 3.245 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481086351 502750882 /nfs/dbraw/zinc/75/08/82/502750882.db2.gz DATRLDICTLCJEX-OLZOCXBDSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481086351 502750887 /nfs/dbraw/zinc/75/08/87/502750887.db2.gz DATRLDICTLCJEX-OLZOCXBDSA-N 1 2 363.177 3.208 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000602869764 506332377 /nfs/dbraw/zinc/33/23/77/506332377.db2.gz ONPUPDAZXSHQJQ-OAHLLOKOSA-N 1 2 368.506 3.447 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000602871198 506332632 /nfs/dbraw/zinc/33/26/32/506332632.db2.gz ZDOPGZFAXWEHDF-QFBILLFUSA-N 1 2 360.461 3.308 20 30 FGEDLO N#Cc1csc(C[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)n1 ZINC000602877980 506333215 /nfs/dbraw/zinc/33/32/15/506333215.db2.gz NGBUPULWBHGFEF-UHFFFAOYSA-N 1 2 350.451 3.179 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463361842 502770516 /nfs/dbraw/zinc/77/05/16/502770516.db2.gz QLFZCXLSCXFGLU-IBGZPJMESA-N 1 2 371.278 3.457 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463361842 502770522 /nfs/dbraw/zinc/77/05/22/502770522.db2.gz QLFZCXLSCXFGLU-IBGZPJMESA-N 1 2 371.278 3.457 20 30 FGEDLO C=CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000474009232 502778237 /nfs/dbraw/zinc/77/82/37/502778237.db2.gz MAHLLHPEBQNTNZ-QZTJIDSGSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000474009232 502778243 /nfs/dbraw/zinc/77/82/43/502778243.db2.gz MAHLLHPEBQNTNZ-QZTJIDSGSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000474009230 502778274 /nfs/dbraw/zinc/77/82/74/502778274.db2.gz MAHLLHPEBQNTNZ-MSOLQXFVSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000474009230 502778279 /nfs/dbraw/zinc/77/82/79/502778279.db2.gz MAHLLHPEBQNTNZ-MSOLQXFVSA-N 1 2 365.905 3.367 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000602882323 506335801 /nfs/dbraw/zinc/33/58/01/506335801.db2.gz UUVWBKKZNPQRTN-KRWDZBQOSA-N 1 2 357.845 3.147 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1)c1cccc(Cl)c1 ZINC000602882323 506335804 /nfs/dbraw/zinc/33/58/04/506335804.db2.gz UUVWBKKZNPQRTN-KRWDZBQOSA-N 1 2 357.845 3.147 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000509171490 502839663 /nfs/dbraw/zinc/83/96/63/502839663.db2.gz MTIUTMZNCRGRQV-UHFFFAOYSA-N 1 2 353.919 3.086 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1[N+](=O)[O-] ZINC000509530163 502927186 /nfs/dbraw/zinc/92/71/86/502927186.db2.gz YCFLQEKJORIXAY-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO N#Cc1c(F)cccc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000509547294 502931546 /nfs/dbraw/zinc/93/15/46/502931546.db2.gz XYHRFMKXGJYWJW-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513417536 502932986 /nfs/dbraw/zinc/93/29/86/502932986.db2.gz WNQWSNPRSHFHFE-OAQYLSRUSA-N 1 2 363.461 3.094 20 30 FGEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513417536 502932991 /nfs/dbraw/zinc/93/29/91/502932991.db2.gz WNQWSNPRSHFHFE-OAQYLSRUSA-N 1 2 363.461 3.094 20 30 FGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906371 506345543 /nfs/dbraw/zinc/34/55/43/506345543.db2.gz GSRBWPQCEPESRZ-HNNXBMFYSA-N 1 2 369.490 3.297 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677324 502998036 /nfs/dbraw/zinc/99/80/36/502998036.db2.gz UQLJKIPUZYUIDC-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000513677324 502998042 /nfs/dbraw/zinc/99/80/42/502998042.db2.gz UQLJKIPUZYUIDC-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)s1 ZINC000506271139 503082954 /nfs/dbraw/zinc/08/29/54/503082954.db2.gz VENFUTUTEHHZEX-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)s1 ZINC000506271139 503082957 /nfs/dbraw/zinc/08/29/57/503082957.db2.gz VENFUTUTEHHZEX-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)c1 ZINC000506295147 503088649 /nfs/dbraw/zinc/08/86/49/503088649.db2.gz ORBYQXNLYDHGPU-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490047998 503098912 /nfs/dbraw/zinc/09/89/12/503098912.db2.gz SHKULTZZQMKNOJ-SJLPKXTDSA-N 1 2 372.513 3.042 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490047998 503098917 /nfs/dbraw/zinc/09/89/17/503098917.db2.gz SHKULTZZQMKNOJ-SJLPKXTDSA-N 1 2 372.513 3.042 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000514582260 503140520 /nfs/dbraw/zinc/14/05/20/503140520.db2.gz UWWBDVIJPSNLEY-UHFFFAOYSA-N 1 2 360.461 3.097 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)c1 ZINC000506691221 503157628 /nfs/dbraw/zinc/15/76/28/503157628.db2.gz VMTANERLZAHQII-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000602943144 506360762 /nfs/dbraw/zinc/36/07/62/506360762.db2.gz PJAWUUNTGVNLFP-ZDUSSCGKSA-N 1 2 357.483 3.040 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000602943144 506360765 /nfs/dbraw/zinc/36/07/65/506360765.db2.gz PJAWUUNTGVNLFP-ZDUSSCGKSA-N 1 2 357.483 3.040 20 30 FGEDLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277960 503267184 /nfs/dbraw/zinc/26/71/84/503267184.db2.gz KKTCHIGMDPJYDG-GOSISDBHSA-N 1 2 374.488 3.048 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491328530 503296457 /nfs/dbraw/zinc/29/64/57/503296457.db2.gz IIJWFTSLWVJRGQ-UHFFFAOYSA-N 1 2 367.449 3.074 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491328530 503296462 /nfs/dbraw/zinc/29/64/62/503296462.db2.gz IIJWFTSLWVJRGQ-UHFFFAOYSA-N 1 2 367.449 3.074 20 30 FGEDLO Cc1nc(C2([NH2+]CC(=O)Nc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000507696045 503349963 /nfs/dbraw/zinc/34/99/63/503349963.db2.gz ZLFYFDGTSYQQAK-UHFFFAOYSA-N 1 2 353.426 3.028 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(CCC#N)CC3)c2C1 ZINC000515652926 503380318 /nfs/dbraw/zinc/38/03/18/503380318.db2.gz SYMJCNWSDCVXKZ-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(CCC#N)CC3)c2C1 ZINC000515652926 503380322 /nfs/dbraw/zinc/38/03/22/503380322.db2.gz SYMJCNWSDCVXKZ-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CCC2 ZINC000503287046 503383810 /nfs/dbraw/zinc/38/38/10/503383810.db2.gz UJSRWUQYAHEMGC-HNNXBMFYSA-N 1 2 354.458 3.319 20 30 FGEDLO Cc1cc(Nc2nccc(C#N)c2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000503287771 503383994 /nfs/dbraw/zinc/38/39/94/503383994.db2.gz VXXIOCREWBDZNL-ZDUSSCGKSA-N 1 2 352.398 3.109 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796443 503389648 /nfs/dbraw/zinc/38/96/48/503389648.db2.gz KZASDWMGJVPCBZ-QAPCUYQASA-N 1 2 351.853 3.500 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511796443 503389651 /nfs/dbraw/zinc/38/96/51/503389651.db2.gz KZASDWMGJVPCBZ-QAPCUYQASA-N 1 2 351.853 3.500 20 30 FGEDLO Cc1ccn2cc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)[nH+]c2c1 ZINC000508086099 503427927 /nfs/dbraw/zinc/42/79/27/503427927.db2.gz IGDOFUDBNAEJCX-UHFFFAOYSA-N 1 2 350.426 3.393 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000499575485 503435111 /nfs/dbraw/zinc/43/51/11/503435111.db2.gz MOUMHRATUXHYEJ-JTSKRJEESA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000499575485 503435115 /nfs/dbraw/zinc/43/51/15/503435115.db2.gz MOUMHRATUXHYEJ-JTSKRJEESA-N 1 2 354.413 3.080 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@H]2CC(=O)c2cccs2)CCOCC1 ZINC000499632126 503447224 /nfs/dbraw/zinc/44/72/24/503447224.db2.gz QJXGAJVEDAOWKE-MRXNPFEDSA-N 1 2 362.495 3.122 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@H]2CC(=O)c2cccs2)CCOCC1 ZINC000499632126 503447229 /nfs/dbraw/zinc/44/72/29/503447229.db2.gz QJXGAJVEDAOWKE-MRXNPFEDSA-N 1 2 362.495 3.122 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602980644 506372267 /nfs/dbraw/zinc/37/22/67/506372267.db2.gz SQPMACLMPDHTTC-RLLQIKCJSA-N 1 2 355.482 3.373 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602980644 506372272 /nfs/dbraw/zinc/37/22/72/506372272.db2.gz SQPMACLMPDHTTC-RLLQIKCJSA-N 1 2 355.482 3.373 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000494244853 503511521 /nfs/dbraw/zinc/51/15/21/503511521.db2.gz MDVPDTKTMDPVQQ-FUHWJXTLSA-N 1 2 354.454 3.268 20 30 FGEDLO COc1ccsc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508606444 503528465 /nfs/dbraw/zinc/52/84/65/503528465.db2.gz WLPULNFFGHEDDW-UHFFFAOYSA-N 1 2 370.434 3.199 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1=O ZINC000500007451 503532803 /nfs/dbraw/zinc/53/28/03/503532803.db2.gz IADATGCGLAHQNN-FCEWJHQRSA-N 1 2 357.498 3.246 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1=O ZINC000500007451 503532807 /nfs/dbraw/zinc/53/28/07/503532807.db2.gz IADATGCGLAHQNN-FCEWJHQRSA-N 1 2 357.498 3.246 20 30 FGEDLO Cc1onc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1C#N ZINC000516561057 503536854 /nfs/dbraw/zinc/53/68/54/503536854.db2.gz AHVOMHBSLZKPAY-UHFFFAOYSA-N 1 2 361.405 3.236 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512506262 503572791 /nfs/dbraw/zinc/57/27/91/503572791.db2.gz JGRBRUDZZAXAAA-UHFFFAOYSA-N 1 2 358.461 3.298 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512506262 503572793 /nfs/dbraw/zinc/57/27/93/503572793.db2.gz JGRBRUDZZAXAAA-UHFFFAOYSA-N 1 2 358.461 3.298 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000500203480 503577819 /nfs/dbraw/zinc/57/78/19/503577819.db2.gz VLQZWQFVKWGHOZ-OAHLLOKOSA-N 1 2 368.506 3.205 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000516931974 503622398 /nfs/dbraw/zinc/62/23/98/503622398.db2.gz WEUYCDTWLKUXKJ-LJQANCHMSA-N 1 2 369.440 3.225 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000527051469 503658756 /nfs/dbraw/zinc/65/87/56/503658756.db2.gz NGACCFZMWFYCSB-CQSZACIVSA-N 1 2 373.884 3.186 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536708238 503689351 /nfs/dbraw/zinc/68/93/51/503689351.db2.gz ZCOPCSIDQLYBHS-NRFANRHFSA-N 1 2 363.461 3.238 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536708238 503689360 /nfs/dbraw/zinc/68/93/60/503689360.db2.gz ZCOPCSIDQLYBHS-NRFANRHFSA-N 1 2 363.461 3.238 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000533031552 503707045 /nfs/dbraw/zinc/70/70/45/503707045.db2.gz ZIAPNBQNKHJZFE-GOSISDBHSA-N 1 2 362.477 3.489 20 30 FGEDLO Clc1cccc(C#CC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000540321171 503736351 /nfs/dbraw/zinc/73/63/51/503736351.db2.gz XFHMSPKKAKCWFJ-UHFFFAOYSA-N 1 2 364.880 3.386 20 30 FGEDLO Cn1cc(-c2ncc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510487 503817540 /nfs/dbraw/zinc/81/75/40/503817540.db2.gz ZMAJSFIJTOJBOV-VQTJNVASSA-N 1 2 358.449 3.149 20 30 FGEDLO Cn1cc(-c2ncc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510487 503817546 /nfs/dbraw/zinc/81/75/46/503817546.db2.gz ZMAJSFIJTOJBOV-VQTJNVASSA-N 1 2 358.449 3.149 20 30 FGEDLO Cn1cc(-c2ncc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510488 503817709 /nfs/dbraw/zinc/81/77/09/503817709.db2.gz ZMAJSFIJTOJBOV-WOJBJXKFSA-N 1 2 358.449 3.149 20 30 FGEDLO Cn1cc(-c2ncc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510488 503817712 /nfs/dbraw/zinc/81/77/12/503817712.db2.gz ZMAJSFIJTOJBOV-WOJBJXKFSA-N 1 2 358.449 3.149 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 ZINC000533419834 503837889 /nfs/dbraw/zinc/83/78/89/503837889.db2.gz SPGJWCWVPCKCBU-UHFFFAOYSA-N 1 2 355.360 3.254 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000533507843 503868918 /nfs/dbraw/zinc/86/89/18/503868918.db2.gz KDHDAYMQEOSYPA-INIZCTEOSA-N 1 2 374.916 3.193 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000533699259 503925944 /nfs/dbraw/zinc/92/59/44/503925944.db2.gz KGGCWYGIEBUGAT-KRWDZBQOSA-N 1 2 373.416 3.109 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)OC)cc1Cl ZINC000537618046 503976419 /nfs/dbraw/zinc/97/64/19/503976419.db2.gz MJUGXSSGLWQNAU-AWEZNQCLSA-N 1 2 355.887 3.385 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)cc1Cl ZINC000537618046 503976423 /nfs/dbraw/zinc/97/64/23/503976423.db2.gz MJUGXSSGLWQNAU-AWEZNQCLSA-N 1 2 355.887 3.385 20 30 FGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000547098292 503982456 /nfs/dbraw/zinc/98/24/56/503982456.db2.gz HDFNQCYILKEVGQ-OAHLLOKOSA-N 1 2 352.419 3.243 20 30 FGEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)s1 ZINC000547098292 503982459 /nfs/dbraw/zinc/98/24/59/503982459.db2.gz HDFNQCYILKEVGQ-OAHLLOKOSA-N 1 2 352.419 3.243 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000537679894 504003544 /nfs/dbraw/zinc/00/35/44/504003544.db2.gz VCRMWAVJGXFRRP-QZTJIDSGSA-N 1 2 359.489 3.093 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000537679894 504003546 /nfs/dbraw/zinc/00/35/46/504003546.db2.gz VCRMWAVJGXFRRP-QZTJIDSGSA-N 1 2 359.489 3.093 20 30 FGEDLO Cn1ccnc1C([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nccn1C ZINC000527947804 504011968 /nfs/dbraw/zinc/01/19/68/504011968.db2.gz RXFLQLYSLSWZPY-UHFFFAOYSA-N 1 2 374.492 3.237 20 30 FGEDLO COC(=O)c1cccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1C#N ZINC000537839723 504059750 /nfs/dbraw/zinc/05/97/50/504059750.db2.gz PDKMDQYPRHLAOM-UHFFFAOYSA-N 1 2 360.295 3.157 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000519000951 504115491 /nfs/dbraw/zinc/11/54/91/504115491.db2.gz YNDLMFRWOMKIQC-IFXJQAMLSA-N 1 2 363.864 3.294 20 30 FGEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000519000951 504115495 /nfs/dbraw/zinc/11/54/95/504115495.db2.gz YNDLMFRWOMKIQC-IFXJQAMLSA-N 1 2 363.864 3.294 20 30 FGEDLO C=CCc1ccc(OC[C@@H](O)CN(C)c2[nH]c3ccccc3[nH+]2)c(OC)c1 ZINC000534398108 504130069 /nfs/dbraw/zinc/13/00/69/504130069.db2.gz WTXPNBAUIYWVJZ-INIZCTEOSA-N 1 2 367.449 3.176 20 30 FGEDLO C=CCc1cc(CNc2cc(NCC3CC3)[nH+]cn2)cc(OC)c1OC ZINC000534609189 504189604 /nfs/dbraw/zinc/18/96/04/504189604.db2.gz ZEELMTXMCQZLOV-UHFFFAOYSA-N 1 2 354.454 3.078 20 30 FGEDLO C=CCc1cc(CNc2cc(NCC3CC3)nc[nH+]2)cc(OC)c1OC ZINC000534609189 504189608 /nfs/dbraw/zinc/18/96/08/504189608.db2.gz ZEELMTXMCQZLOV-UHFFFAOYSA-N 1 2 354.454 3.078 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000541700858 504226450 /nfs/dbraw/zinc/22/64/50/504226450.db2.gz FETXVXIUMJCJPN-HXUWFJFHSA-N 1 2 369.509 3.005 20 30 FGEDLO CN(C(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000541700858 504226456 /nfs/dbraw/zinc/22/64/56/504226456.db2.gz FETXVXIUMJCJPN-HXUWFJFHSA-N 1 2 369.509 3.005 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nccc4ccccc43)CC2)cc1 ZINC000519513251 504236035 /nfs/dbraw/zinc/23/60/35/504236035.db2.gz NRKSFWHHGCOTMI-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO C=CCn1c(COc2ccccc2)nnc1SCCCn1cc[nH+]c1 ZINC000541780691 504251952 /nfs/dbraw/zinc/25/19/52/504251952.db2.gz OJYURPSCZBWLLO-UHFFFAOYSA-N 1 2 355.467 3.422 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000531342279 504272806 /nfs/dbraw/zinc/27/28/06/504272806.db2.gz BMJYSLBUAOMEDT-DYESRHJHSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000531342279 504272811 /nfs/dbraw/zinc/27/28/11/504272811.db2.gz BMJYSLBUAOMEDT-DYESRHJHSA-N 1 2 372.513 3.089 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538534594 504277000 /nfs/dbraw/zinc/27/70/00/504277000.db2.gz LLOQUXFKMCLHNE-IAGOWNOFSA-N 1 2 374.909 3.498 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538534594 504277006 /nfs/dbraw/zinc/27/70/06/504277006.db2.gz LLOQUXFKMCLHNE-IAGOWNOFSA-N 1 2 374.909 3.498 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547996060 504287390 /nfs/dbraw/zinc/28/73/90/504287390.db2.gz KGTRBTCYUANIBK-UONOGXRCSA-N 1 2 355.467 3.271 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)cc2)CC1 ZINC000538590729 504295795 /nfs/dbraw/zinc/29/57/95/504295795.db2.gz PWGIECRSOSWPPO-UHFFFAOYSA-N 1 2 350.809 3.473 20 30 FGEDLO C=CCSCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000541902349 504298265 /nfs/dbraw/zinc/29/82/65/504298265.db2.gz HIMMROWFBMEDSK-ZDUSSCGKSA-N 1 2 354.545 3.416 20 30 FGEDLO C=CCSCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000541902349 504298268 /nfs/dbraw/zinc/29/82/68/504298268.db2.gz HIMMROWFBMEDSK-ZDUSSCGKSA-N 1 2 354.545 3.416 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000548156830 504350645 /nfs/dbraw/zinc/35/06/45/504350645.db2.gz RRPVRLCRYXYJIQ-UHFFFAOYSA-N 1 2 359.779 3.102 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3noc(-c4ccsc4)n3)CCOCC2)cc1 ZINC000528784474 504379141 /nfs/dbraw/zinc/37/91/41/504379141.db2.gz UFMMDICYBQORTO-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(CC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466090 504501564 /nfs/dbraw/zinc/50/15/64/504501564.db2.gz GJUOWPJMWJCVAL-CQSZACIVSA-N 1 2 354.483 3.430 20 30 FGEDLO C=CC[N@H+](Cc1ncc(CC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000542466090 504501569 /nfs/dbraw/zinc/50/15/69/504501569.db2.gz GJUOWPJMWJCVAL-CQSZACIVSA-N 1 2 354.483 3.430 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(C#N)c3F)[C@@H](C)C2)cc1 ZINC000539238374 504508578 /nfs/dbraw/zinc/50/85/78/504508578.db2.gz HDCBLWSNORDRRP-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc(C#N)c3F)[C@@H](C)C2)cc1 ZINC000539238374 504508579 /nfs/dbraw/zinc/50/85/79/504508579.db2.gz HDCBLWSNORDRRP-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000539355782 504539766 /nfs/dbraw/zinc/53/97/66/504539766.db2.gz PYKSFWZVNFAVOU-YFHOEESVSA-N 1 2 363.461 3.118 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000529212936 504586581 /nfs/dbraw/zinc/58/65/81/504586581.db2.gz PPEVNMUBCCZAQV-KBXCAEBGSA-N 1 2 353.426 3.016 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)OCC ZINC000535943147 504589491 /nfs/dbraw/zinc/58/94/91/504589491.db2.gz OKHLGEDGGPQRBF-SFHVURJKSA-N 1 2 350.890 3.356 20 30 FGEDLO N#Cc1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532902953 504772233 /nfs/dbraw/zinc/77/22/33/504772233.db2.gz QYDTVQSHIAUFSZ-LJQANCHMSA-N 1 2 370.384 3.091 20 30 FGEDLO CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000559268013 504814427 /nfs/dbraw/zinc/81/44/27/504814427.db2.gz UJTIKEPGDYHNNL-IEBWSBKVSA-N 1 2 359.470 3.197 20 30 FGEDLO CC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000559268013 504814431 /nfs/dbraw/zinc/81/44/31/504814431.db2.gz UJTIKEPGDYHNNL-IEBWSBKVSA-N 1 2 359.470 3.197 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1F ZINC000553153928 504839257 /nfs/dbraw/zinc/83/92/57/504839257.db2.gz QAUWJXLNYTZZHI-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1F ZINC000553153928 504839261 /nfs/dbraw/zinc/83/92/61/504839261.db2.gz QAUWJXLNYTZZHI-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000562597255 504873550 /nfs/dbraw/zinc/87/35/50/504873550.db2.gz ATGSGWSHGQBEPL-MOPGFXCFSA-N 1 2 364.449 3.457 20 30 FGEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000549734547 504883980 /nfs/dbraw/zinc/88/39/80/504883980.db2.gz FXYCRTNESJKYMO-AWEZNQCLSA-N 1 2 361.440 3.324 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000550112821 504969076 /nfs/dbraw/zinc/96/90/76/504969076.db2.gz UWURLCZVBTURNP-YJYMSZOUSA-N 1 2 363.889 3.150 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000550112821 504969080 /nfs/dbraw/zinc/96/90/80/504969080.db2.gz UWURLCZVBTURNP-YJYMSZOUSA-N 1 2 363.889 3.150 20 30 FGEDLO N#CC1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000563929908 505278926 /nfs/dbraw/zinc/27/89/26/505278926.db2.gz MMWCIXOFUJOOJL-HNNXBMFYSA-N 1 2 364.852 3.219 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1 ZINC000555091737 505347044 /nfs/dbraw/zinc/34/70/44/505347044.db2.gz FYHBBVLMWAKGDQ-DJIMGWMZSA-N 1 2 354.372 3.345 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1 ZINC000555091737 505347047 /nfs/dbraw/zinc/34/70/47/505347047.db2.gz FYHBBVLMWAKGDQ-DJIMGWMZSA-N 1 2 354.372 3.345 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000564397437 505407859 /nfs/dbraw/zinc/40/78/59/505407859.db2.gz DJIHOGREJMCJMV-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000564397437 505407862 /nfs/dbraw/zinc/40/78/62/505407862.db2.gz DJIHOGREJMCJMV-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558627702 505444225 /nfs/dbraw/zinc/44/42/25/505444225.db2.gz RQJPWIXKBOOWOK-SFHVURJKSA-N 1 2 362.477 3.158 20 30 FGEDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794482 505516365 /nfs/dbraw/zinc/51/63/65/505516365.db2.gz XTQWDCBCOMXDGR-XJKSGUPXSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794482 505516368 /nfs/dbraw/zinc/51/63/68/505516368.db2.gz XTQWDCBCOMXDGR-XJKSGUPXSA-N 1 2 361.511 3.182 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000593088343 506384853 /nfs/dbraw/zinc/38/48/53/506384853.db2.gz AFOWBVDEGBLYAU-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000593088343 506384863 /nfs/dbraw/zinc/38/48/63/506384863.db2.gz AFOWBVDEGBLYAU-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(C)c(C#N)c3)CC2=O)cc1 ZINC000599366508 506429109 /nfs/dbraw/zinc/42/91/09/506429109.db2.gz SUKVEPIUINKCHW-UHFFFAOYSA-N 1 2 363.461 3.110 20 30 FGEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)CC2=O)cc1 ZINC000599366508 506429114 /nfs/dbraw/zinc/42/91/14/506429114.db2.gz SUKVEPIUINKCHW-UHFFFAOYSA-N 1 2 363.461 3.110 20 30 FGEDLO CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1[nH]cc[nH+]1 ZINC000603159309 506444513 /nfs/dbraw/zinc/44/45/13/506444513.db2.gz JDYOIRSXBMWIFD-HNNXBMFYSA-N 1 2 361.243 3.100 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)CC2 ZINC000599423454 506449117 /nfs/dbraw/zinc/44/91/17/506449117.db2.gz YDRRKOVDFCUGEI-IUODEOHRSA-N 1 2 363.248 3.442 20 30 FGEDLO N#CC1(Cc2cn(Cc3[nH+]ccn3CC(F)(F)F)nn2)CCCCC1 ZINC000603215300 506459458 /nfs/dbraw/zinc/45/94/58/506459458.db2.gz KLBXBLGTWOCAQU-UHFFFAOYSA-N 1 2 352.364 3.102 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599458 506483496 /nfs/dbraw/zinc/48/34/96/506483496.db2.gz VEBRFSJWXSHWNW-GFCCVEGCSA-N 1 2 371.872 3.346 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599458 506483502 /nfs/dbraw/zinc/48/35/02/506483502.db2.gz VEBRFSJWXSHWNW-GFCCVEGCSA-N 1 2 371.872 3.346 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589276229 506505892 /nfs/dbraw/zinc/50/58/92/506505892.db2.gz KHKJRNXIXZNANE-MNOVXSKESA-N 1 2 353.438 3.413 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589276229 506505903 /nfs/dbraw/zinc/50/59/03/506505903.db2.gz KHKJRNXIXZNANE-MNOVXSKESA-N 1 2 353.438 3.413 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC000612300652 506516120 /nfs/dbraw/zinc/51/61/20/506516120.db2.gz WUUZBGPIWATURK-LZJOCLMNSA-N 1 2 370.497 3.453 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612375505 506550679 /nfs/dbraw/zinc/55/06/79/506550679.db2.gz WARMBRBMCNBUHV-YLJYHZDGSA-N 1 2 351.454 3.039 20 30 FGEDLO C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680903 506577081 /nfs/dbraw/zinc/57/70/81/506577081.db2.gz JPBJFJUHTVHOPI-RBUKOAKNSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680903 506577090 /nfs/dbraw/zinc/57/70/90/506577090.db2.gz JPBJFJUHTVHOPI-RBUKOAKNSA-N 1 2 374.431 3.496 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000593458128 506631017 /nfs/dbraw/zinc/63/10/17/506631017.db2.gz PSOLZIVEDZJPFR-AWEZNQCLSA-N 1 2 363.248 3.450 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCOc2ccccc2C1)c1cccc(Cl)c1 ZINC000603869796 506643209 /nfs/dbraw/zinc/64/32/09/506643209.db2.gz NAEWIHTWHLKNNY-UHFFFAOYSA-N 1 2 369.852 3.481 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCOc2ccccc2C1)c1cccc(Cl)c1 ZINC000603869796 506643216 /nfs/dbraw/zinc/64/32/16/506643216.db2.gz NAEWIHTWHLKNNY-UHFFFAOYSA-N 1 2 369.852 3.481 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1F ZINC000593572993 506688352 /nfs/dbraw/zinc/68/83/52/506688352.db2.gz UBXKPDOJCVUQFP-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000583353702 506732711 /nfs/dbraw/zinc/73/27/11/506732711.db2.gz DKHXLSXQMFLVNK-KRWDZBQOSA-N 1 2 354.372 3.347 20 30 FGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000583353702 506732715 /nfs/dbraw/zinc/73/27/15/506732715.db2.gz DKHXLSXQMFLVNK-KRWDZBQOSA-N 1 2 354.372 3.347 20 30 FGEDLO N#CC1(CC(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000590169364 506757075 /nfs/dbraw/zinc/75/70/75/506757075.db2.gz YINUFYLGGHZKAR-UHFFFAOYSA-N 1 2 352.463 3.334 20 30 FGEDLO N#CC1(CC(=O)Nc2nc3c(s2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000590169364 506757082 /nfs/dbraw/zinc/75/70/82/506757082.db2.gz YINUFYLGGHZKAR-UHFFFAOYSA-N 1 2 352.463 3.334 20 30 FGEDLO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609075753 506769747 /nfs/dbraw/zinc/76/97/47/506769747.db2.gz KJBFGGRRXJMAEE-UONOGXRCSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000609075753 506769752 /nfs/dbraw/zinc/76/97/52/506769752.db2.gz KJBFGGRRXJMAEE-UONOGXRCSA-N 1 2 361.511 3.326 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609099087 506774916 /nfs/dbraw/zinc/77/49/16/506774916.db2.gz JLEVWYPUNWWVMA-NRFANRHFSA-N 1 2 373.460 3.002 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609239403 506823397 /nfs/dbraw/zinc/82/33/97/506823397.db2.gz KPOOGCHREINSFQ-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cc3)n2)C1 ZINC000604447183 506834918 /nfs/dbraw/zinc/83/49/18/506834918.db2.gz QGZLIFIGBBJJKW-CQSZACIVSA-N 1 2 369.494 3.297 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cc3)n2)C1 ZINC000604447183 506834924 /nfs/dbraw/zinc/83/49/24/506834924.db2.gz QGZLIFIGBBJJKW-CQSZACIVSA-N 1 2 369.494 3.297 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000593968028 506857636 /nfs/dbraw/zinc/85/76/36/506857636.db2.gz IAERUIRFLNDFQY-QGZVFWFLSA-N 1 2 363.461 3.208 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)ccc1Cl ZINC000590592654 506871687 /nfs/dbraw/zinc/87/16/87/506871687.db2.gz DAKYNQZJVPEDQT-UHFFFAOYSA-N 1 2 362.842 3.008 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000594011802 506881199 /nfs/dbraw/zinc/88/11/99/506881199.db2.gz USCDNASGBQMINH-YLJYHZDGSA-N 1 2 365.433 3.055 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000609486368 506896583 /nfs/dbraw/zinc/89/65/83/506896583.db2.gz JBYVAVQJBWQCBS-DYESRHJHSA-N 1 2 364.493 3.333 20 30 FGEDLO C=CCOCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000600326668 506902209 /nfs/dbraw/zinc/90/22/09/506902209.db2.gz UGNVRQVDCCCEPK-UHFFFAOYSA-N 1 2 365.836 3.297 20 30 FGEDLO CC[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609568300 506925404 /nfs/dbraw/zinc/92/54/04/506925404.db2.gz XVDMKNPLUUDVFU-QFIPXVFZSA-N 1 2 361.489 3.471 20 30 FGEDLO CC[C@@H](C#N)N(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000594086488 506932770 /nfs/dbraw/zinc/93/27/70/506932770.db2.gz VWKQBFLYWANWHL-JKSUJKDBSA-N 1 2 364.287 3.347 20 30 FGEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000597623710 507036760 /nfs/dbraw/zinc/03/67/60/507036760.db2.gz KDPIHAHSOLDUPS-CYBMUJFWSA-N 1 2 370.403 3.389 20 30 FGEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000609921283 507050661 /nfs/dbraw/zinc/05/06/61/507050661.db2.gz GETGVLLATSZVAH-XJKSGUPXSA-N 1 2 364.287 3.204 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1C#N ZINC000590959067 507060526 /nfs/dbraw/zinc/06/05/26/507060526.db2.gz AVCSMAWZSQRNGR-MAUKXSAKSA-N 1 2 353.470 3.312 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(-c4ccccc4)n3)CC2)cc1 ZINC000609986094 507062656 /nfs/dbraw/zinc/06/26/56/507062656.db2.gz UCNVSEGUHFAIBV-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000605149687 507092186 /nfs/dbraw/zinc/09/21/86/507092186.db2.gz SEJUJRDBUYHOLP-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000591051139 507093827 /nfs/dbraw/zinc/09/38/27/507093827.db2.gz ORGJPLAJYPFWMD-OAQYLSRUSA-N 1 2 361.445 3.350 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000591051139 507093837 /nfs/dbraw/zinc/09/38/37/507093837.db2.gz ORGJPLAJYPFWMD-OAQYLSRUSA-N 1 2 361.445 3.350 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600744694 507095176 /nfs/dbraw/zinc/09/51/76/507095176.db2.gz ZJBVWFRQWTZIRA-SFHVURJKSA-N 1 2 356.495 3.242 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600744694 507095179 /nfs/dbraw/zinc/09/51/79/507095179.db2.gz ZJBVWFRQWTZIRA-SFHVURJKSA-N 1 2 356.495 3.242 20 30 FGEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000610211227 507139285 /nfs/dbraw/zinc/13/92/85/507139285.db2.gz GAXKMVCPNZKVOL-INIZCTEOSA-N 1 2 373.460 3.069 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)NC(C)(C)c1cccc(C#N)c1)C(F)(F)F ZINC000597956953 507197628 /nfs/dbraw/zinc/19/76/28/507197628.db2.gz WVLFOAKUROWJLD-AWEZNQCLSA-N 1 2 364.371 3.379 20 30 FGEDLO N#CCc1cccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000601126490 507269325 /nfs/dbraw/zinc/26/93/25/507269325.db2.gz RRBOLIRJJOAOLB-UHFFFAOYSA-N 1 2 351.450 3.076 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c(Cl)c1 ZINC000610538743 507281130 /nfs/dbraw/zinc/28/11/30/507281130.db2.gz OAKFXZLBWBWJJQ-UHFFFAOYSA-N 1 2 372.856 3.408 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCO[C@H](c3ccccc3)C2)C1=O ZINC000610581911 507302485 /nfs/dbraw/zinc/30/24/85/507302485.db2.gz SODDSRSZDKXPKW-ROUUACIJSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCO[C@H](c3ccccc3)C2)C1=O ZINC000610581911 507302495 /nfs/dbraw/zinc/30/24/95/507302495.db2.gz SODDSRSZDKXPKW-ROUUACIJSA-N 1 2 367.474 3.189 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000610604636 507317096 /nfs/dbraw/zinc/31/70/96/507317096.db2.gz GJOPNLSYIGRSRU-QWRGUYRKSA-N 1 2 371.325 3.002 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2n1C ZINC000598245720 507340590 /nfs/dbraw/zinc/34/05/90/507340590.db2.gz HJNFTNXDNBRXTK-UHFFFAOYSA-N 1 2 374.444 3.189 20 30 FGEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1F ZINC000584484541 507370748 /nfs/dbraw/zinc/37/07/48/507370748.db2.gz KFGRNAHFSXAKPP-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO N#Cc1cccc(C2([NH2+][C@@H]3CCS(=O)(=O)c4ccc(F)cc43)CC2)c1 ZINC000614149622 507386343 /nfs/dbraw/zinc/38/63/43/507386343.db2.gz GVMZEGHDRNDJDR-QGZVFWFLSA-N 1 2 356.422 3.195 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000584559431 507409842 /nfs/dbraw/zinc/40/98/42/507409842.db2.gz QALRSCOGPRLJKM-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO COc1cc(N[C@H]2CCC[N@H+](Cc3ccncc3C#N)C2)cc(OC)c1 ZINC000592082708 507476845 /nfs/dbraw/zinc/47/68/45/507476845.db2.gz OOQYWZMIAXRQLR-KRWDZBQOSA-N 1 2 352.438 3.047 20 30 FGEDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)cc(OC)c1 ZINC000592082708 507476853 /nfs/dbraw/zinc/47/68/53/507476853.db2.gz OOQYWZMIAXRQLR-KRWDZBQOSA-N 1 2 352.438 3.047 20 30 FGEDLO COc1cc(C[N@@H+]2CCc3c[nH]nc3C2)ccc1OCc1cccc(C#N)c1 ZINC000611009433 507480731 /nfs/dbraw/zinc/48/07/31/507480731.db2.gz YSWVTNJDIBLJAE-UHFFFAOYSA-N 1 2 374.444 3.427 20 30 FGEDLO COc1cc(C[N@H+]2CCc3c[nH]nc3C2)ccc1OCc1cccc(C#N)c1 ZINC000611009433 507480741 /nfs/dbraw/zinc/48/07/41/507480741.db2.gz YSWVTNJDIBLJAE-UHFFFAOYSA-N 1 2 374.444 3.427 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)c(C(F)(F)F)c1 ZINC000595396288 507481015 /nfs/dbraw/zinc/48/10/15/507481015.db2.gz BYIOBFHBZVGGEA-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1CCSCC1 ZINC000611011891 507481882 /nfs/dbraw/zinc/48/18/82/507481882.db2.gz BDWDZFKLWXRLRG-CQSZACIVSA-N 1 2 368.462 3.121 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn21 ZINC000592129599 507495675 /nfs/dbraw/zinc/49/56/75/507495675.db2.gz JPPFHXUGBPCBCP-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3C)CC2)cc(OC)c1 ZINC000614402129 507498433 /nfs/dbraw/zinc/49/84/33/507498433.db2.gz LMHLGNAFUUPQCN-UHFFFAOYSA-N 1 2 365.477 3.202 20 30 FGEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148663 507510475 /nfs/dbraw/zinc/51/04/75/507510475.db2.gz YOTQUXJZELDJBF-SFHVURJKSA-N 1 2 362.426 3.068 20 30 FGEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148663 507510478 /nfs/dbraw/zinc/51/04/78/507510478.db2.gz YOTQUXJZELDJBF-SFHVURJKSA-N 1 2 362.426 3.068 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC2(CCCC2)O1 ZINC000592196734 507533889 /nfs/dbraw/zinc/53/38/89/507533889.db2.gz XVFHODYVAGHTNB-HNNXBMFYSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC2(CCCC2)O1 ZINC000592196734 507533895 /nfs/dbraw/zinc/53/38/95/507533895.db2.gz XVFHODYVAGHTNB-HNNXBMFYSA-N 1 2 359.495 3.274 20 30 FGEDLO CCC[C@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1ccc(Cl)cc1 ZINC000598652217 507534867 /nfs/dbraw/zinc/53/48/67/507534867.db2.gz JXQIEJNLMPZRQU-HNNXBMFYSA-N 1 2 373.888 3.031 20 30 FGEDLO C=CCCCCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000606917552 507555668 /nfs/dbraw/zinc/55/56/68/507555668.db2.gz HCVZTEGYHSPYCC-HXUWFJFHSA-N 1 2 359.514 3.448 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623363 507598097 /nfs/dbraw/zinc/59/80/97/507598097.db2.gz NYKQQABMDQQAAA-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1cccc(Br)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623363 507598103 /nfs/dbraw/zinc/59/81/03/507598103.db2.gz NYKQQABMDQQAAA-GFCCVEGCSA-N 1 2 351.244 3.361 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000611276628 507600910 /nfs/dbraw/zinc/60/09/10/507600910.db2.gz NNPWXUVSQKXZLS-WOJBJXKFSA-N 1 2 369.490 3.330 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000611276628 507600916 /nfs/dbraw/zinc/60/09/16/507600916.db2.gz NNPWXUVSQKXZLS-WOJBJXKFSA-N 1 2 369.490 3.330 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000611276625 507601796 /nfs/dbraw/zinc/60/17/96/507601796.db2.gz NNPWXUVSQKXZLS-PMACEKPBSA-N 1 2 369.490 3.330 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000611276625 507601800 /nfs/dbraw/zinc/60/18/00/507601800.db2.gz NNPWXUVSQKXZLS-PMACEKPBSA-N 1 2 369.490 3.330 20 30 FGEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)ccn12 ZINC000602182168 507618580 /nfs/dbraw/zinc/61/85/80/507618580.db2.gz TURXKQXBXYXPPY-UHFFFAOYSA-N 1 2 359.433 3.231 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000586651739 507655280 /nfs/dbraw/zinc/65/52/80/507655280.db2.gz DEIFYODFUBLZOK-ZFWWWQNUSA-N 1 2 364.287 3.453 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595758695 507669955 /nfs/dbraw/zinc/66/99/55/507669955.db2.gz DUMFWYMJTXTTLO-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000595758695 507669960 /nfs/dbraw/zinc/66/99/60/507669960.db2.gz DUMFWYMJTXTTLO-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2c(Br)cccc12 ZINC000602331498 507673533 /nfs/dbraw/zinc/67/35/33/507673533.db2.gz DSEKDWOPMVCGEI-KRWDZBQOSA-N 1 2 360.255 3.176 20 30 FGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000595815171 507697702 /nfs/dbraw/zinc/69/77/02/507697702.db2.gz MCCUMKWYDAUSPA-HNNXBMFYSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000595815171 507697710 /nfs/dbraw/zinc/69/77/10/507697710.db2.gz MCCUMKWYDAUSPA-HNNXBMFYSA-N 1 2 359.495 3.274 20 30 FGEDLO Cc1cc(C#N)cc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)n1 ZINC000587319914 507708668 /nfs/dbraw/zinc/70/86/68/507708668.db2.gz DBJQISMLGZFGQS-UHFFFAOYSA-N 1 2 355.445 3.253 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CC1=CCSC1 ZINC000595889224 507730261 /nfs/dbraw/zinc/73/02/61/507730261.db2.gz SERWACSZUXWAAU-CQSZACIVSA-N 1 2 361.536 3.482 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000595889224 507730266 /nfs/dbraw/zinc/73/02/66/507730266.db2.gz SERWACSZUXWAAU-CQSZACIVSA-N 1 2 361.536 3.482 20 30 FGEDLO CC(C)(C)OC(=O)C1([NH2+]Cc2ccccc2C(C)(C)C#N)CCOCC1 ZINC000595896929 507731984 /nfs/dbraw/zinc/73/19/84/507731984.db2.gz ZRRZZMKMNRIVEP-UHFFFAOYSA-N 1 2 358.482 3.468 20 30 FGEDLO Cc1cc(C#N)cc(NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000588017292 507734436 /nfs/dbraw/zinc/73/44/36/507734436.db2.gz KEFCGFUPLBTYMY-UHFFFAOYSA-N 1 2 356.227 3.014 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000275489337 523604207 /nfs/dbraw/zinc/60/42/07/523604207.db2.gz AKOMDAIWFZKHFP-MRXNPFEDSA-N 1 2 372.538 3.430 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000275489337 523604212 /nfs/dbraw/zinc/60/42/12/523604212.db2.gz AKOMDAIWFZKHFP-MRXNPFEDSA-N 1 2 372.538 3.430 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000330320097 568237852 /nfs/dbraw/zinc/23/78/52/568237852.db2.gz DVKIFIJEWHNEPW-SJQFEJMWSA-N 1 2 374.407 3.265 20 30 FGEDLO C=CCOc1ccccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000819758626 599549317 /nfs/dbraw/zinc/54/93/17/599549317.db2.gz CDAKGXQMCXAXTA-UHFFFAOYSA-N 1 2 358.405 3.014 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1F)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823919745 607516580 /nfs/dbraw/zinc/51/65/80/607516580.db2.gz OZVKKDGEHIJVIX-UHFFFAOYSA-N 1 2 353.401 3.203 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000823919745 607516581 /nfs/dbraw/zinc/51/65/81/607516581.db2.gz OZVKKDGEHIJVIX-UHFFFAOYSA-N 1 2 353.401 3.203 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000174694599 705514585 /nfs/dbraw/zinc/51/45/85/705514585.db2.gz BMFZLOPFKBSKFL-WOJBJXKFSA-N 1 2 355.869 3.256 20 30 FGEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000176093893 705570910 /nfs/dbraw/zinc/57/09/10/705570910.db2.gz WEDQLFHRCJGMCW-CQSZACIVSA-N 1 2 362.474 3.332 20 30 FGEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000176093893 705570916 /nfs/dbraw/zinc/57/09/16/705570916.db2.gz WEDQLFHRCJGMCW-CQSZACIVSA-N 1 2 362.474 3.332 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@H]1CCC(F)(F)C1)C2 ZINC000330246001 713835142 /nfs/dbraw/zinc/83/51/42/713835142.db2.gz DYFLLNZSIMDHFE-STQMWFEESA-N 1 2 354.445 3.434 20 30 FGEDLO N#Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000522125459 714171742 /nfs/dbraw/zinc/17/17/42/714171742.db2.gz RVJBOCVEZRYJFF-UHFFFAOYSA-N 1 2 352.781 3.415 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615504179 714531843 /nfs/dbraw/zinc/53/18/43/714531843.db2.gz LJGNHWIKXRUZIH-LJQANCHMSA-N 1 2 360.889 3.033 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615504179 714531847 /nfs/dbraw/zinc/53/18/47/714531847.db2.gz LJGNHWIKXRUZIH-LJQANCHMSA-N 1 2 360.889 3.033 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)ccc1C(F)(F)F ZINC000619709060 714863573 /nfs/dbraw/zinc/86/35/73/714863573.db2.gz SFYRQPQDXPEKGJ-UHFFFAOYSA-N 1 2 366.324 3.026 20 30 FGEDLO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000619827770 714873865 /nfs/dbraw/zinc/87/38/65/714873865.db2.gz CWSKOESJEDYXEC-DYVFJYSZSA-N 1 2 357.845 3.201 20 30 FGEDLO FC(F)Cn1cc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cn1 ZINC000646099192 718263373 /nfs/dbraw/zinc/26/33/73/718263373.db2.gz LRTQXNBOPKMZIB-RKDXNWHRSA-N 1 2 351.241 3.321 20 30 FGEDLO C=C(C)[C@@H](CO)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000649389795 718510754 /nfs/dbraw/zinc/51/07/54/718510754.db2.gz GJHXTDULBKUJMP-SWLSCSKDSA-N 1 2 350.463 3.058 20 30 FGEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804499742 724522682 /nfs/dbraw/zinc/52/26/82/724522682.db2.gz MDVQIMOVHHLHFX-OCCSQVGLSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804499742 724522685 /nfs/dbraw/zinc/52/26/85/724522685.db2.gz MDVQIMOVHHLHFX-OCCSQVGLSA-N 1 2 362.886 3.370 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)nn1 ZINC000653664620 719072722 /nfs/dbraw/zinc/07/27/22/719072722.db2.gz MFHSRTSAVQYCMM-MRXNPFEDSA-N 1 2 362.275 3.253 20 30 FGEDLO COCC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000656267205 719386050 /nfs/dbraw/zinc/38/60/50/719386050.db2.gz UOBFNKDFSFLJLG-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000656267205 719386053 /nfs/dbraw/zinc/38/60/53/719386053.db2.gz UOBFNKDFSFLJLG-LBPRGKRZSA-N 1 2 363.273 3.216 20 30 FGEDLO C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000657036185 719549404 /nfs/dbraw/zinc/54/94/04/719549404.db2.gz AVXMOTDKJHUHPL-AEFFLSMTSA-N 1 2 359.495 3.345 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782209439 724638687 /nfs/dbraw/zinc/63/86/87/724638687.db2.gz FZXGNFONHDHZEZ-HOCLYGCPSA-N 1 2 357.445 3.279 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782209439 724638693 /nfs/dbraw/zinc/63/86/93/724638693.db2.gz FZXGNFONHDHZEZ-HOCLYGCPSA-N 1 2 357.445 3.279 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nc1C1CC1 ZINC000782289412 724648577 /nfs/dbraw/zinc/64/85/77/724648577.db2.gz IKNXKPFOCMEQLW-INIZCTEOSA-N 1 2 355.511 3.395 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)nc1C1CC1 ZINC000782289412 724648579 /nfs/dbraw/zinc/64/85/79/724648579.db2.gz IKNXKPFOCMEQLW-INIZCTEOSA-N 1 2 355.511 3.395 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H](C)COC ZINC000661248377 720215347 /nfs/dbraw/zinc/21/53/47/720215347.db2.gz UANNUXNFHVNXSV-LLVKDONJSA-N 1 2 362.804 3.403 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H](C)COC ZINC000661248377 720215350 /nfs/dbraw/zinc/21/53/50/720215350.db2.gz UANNUXNFHVNXSV-LLVKDONJSA-N 1 2 362.804 3.403 20 30 FGEDLO COc1cccc(NC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783799689 724791952 /nfs/dbraw/zinc/79/19/52/724791952.db2.gz PYLBXSZDMOZGQO-UHFFFAOYSA-N 1 2 357.464 3.263 20 30 FGEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000731562947 722476450 /nfs/dbraw/zinc/47/64/50/722476450.db2.gz NONIHJAHQKBPGA-UHFFFAOYSA-N 1 2 351.479 3.071 20 30 FGEDLO C#CCNC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000749275314 722722825 /nfs/dbraw/zinc/72/28/25/722722825.db2.gz AZPPWURBIQMKMA-LJQANCHMSA-N 1 2 360.429 3.115 20 30 FGEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000750973780 722788427 /nfs/dbraw/zinc/78/84/27/722788427.db2.gz VKHRJCNCIHVLCP-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000752288489 722852671 /nfs/dbraw/zinc/85/26/71/722852671.db2.gz ZQKOXHYJZWHKRJ-GOSISDBHSA-N 1 2 360.527 3.126 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000752741802 722869352 /nfs/dbraw/zinc/86/93/52/722869352.db2.gz POXWWCIDUWTUDY-INIZCTEOSA-N 1 2 365.271 3.272 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000752741802 722869354 /nfs/dbraw/zinc/86/93/54/722869354.db2.gz POXWWCIDUWTUDY-INIZCTEOSA-N 1 2 365.271 3.272 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899849 722947695 /nfs/dbraw/zinc/94/76/95/722947695.db2.gz LRTABXYGZJTEJT-AEFFLSMTSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899849 722947696 /nfs/dbraw/zinc/94/76/96/722947696.db2.gz LRTABXYGZJTEJT-AEFFLSMTSA-N 1 2 357.816 3.031 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCOCC2)O1 ZINC000790365184 723131901 /nfs/dbraw/zinc/13/19/01/723131901.db2.gz AZOCCYDFFMMJIG-AWEZNQCLSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC2(CCOCC2)O1 ZINC000790365184 723131905 /nfs/dbraw/zinc/13/19/05/723131905.db2.gz AZOCCYDFFMMJIG-AWEZNQCLSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762663046 723268083 /nfs/dbraw/zinc/26/80/83/723268083.db2.gz BCLMYBZWUBCICC-LBPRGKRZSA-N 1 2 363.820 3.336 20 30 FGEDLO CCc1ccc([C@@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000795729943 723607731 /nfs/dbraw/zinc/60/77/31/723607731.db2.gz VVGLCNSBRWREMF-QGZVFWFLSA-N 1 2 355.511 3.417 20 30 FGEDLO CCc1ccc([C@@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000795729943 723607733 /nfs/dbraw/zinc/60/77/33/723607733.db2.gz VVGLCNSBRWREMF-QGZVFWFLSA-N 1 2 355.511 3.417 20 30 FGEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1F ZINC000805774691 725093932 /nfs/dbraw/zinc/09/39/32/725093932.db2.gz QXNSSXLRIMCZJD-INIZCTEOSA-N 1 2 356.788 3.301 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807193421 725156368 /nfs/dbraw/zinc/15/63/68/725156368.db2.gz XBNUKSSFFHQGBA-MOPGFXCFSA-N 1 2 360.860 3.393 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807193421 725156369 /nfs/dbraw/zinc/15/63/69/725156369.db2.gz XBNUKSSFFHQGBA-MOPGFXCFSA-N 1 2 360.860 3.393 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115089 725345800 /nfs/dbraw/zinc/34/58/00/725345800.db2.gz QIFBZNWGUIBLKI-WDEREUQCSA-N 1 2 360.273 3.325 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)C(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115089 725345799 /nfs/dbraw/zinc/34/57/99/725345799.db2.gz QIFBZNWGUIBLKI-WDEREUQCSA-N 1 2 360.273 3.325 20 30 FGEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811455535 725366257 /nfs/dbraw/zinc/36/62/57/725366257.db2.gz KVZYAFPKUULDMC-CQSZACIVSA-N 1 2 355.360 3.288 20 30 FGEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811455535 725366260 /nfs/dbraw/zinc/36/62/60/725366260.db2.gz KVZYAFPKUULDMC-CQSZACIVSA-N 1 2 355.360 3.288 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811506532 725370660 /nfs/dbraw/zinc/37/06/60/725370660.db2.gz WYLPCNJZBWILJG-AWEZNQCLSA-N 1 2 350.488 3.284 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811506532 725370662 /nfs/dbraw/zinc/37/06/62/725370662.db2.gz WYLPCNJZBWILJG-AWEZNQCLSA-N 1 2 350.488 3.284 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ncc(Br)cn1 ZINC000814302473 726954985 /nfs/dbraw/zinc/95/49/85/726954985.db2.gz VKUWHBRLABBOGX-CYBMUJFWSA-N 1 2 374.286 3.440 20 30 FGEDLO C#CCOCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000814716153 726994797 /nfs/dbraw/zinc/99/47/97/726994797.db2.gz AKDPABSCXGSFQN-GFCCVEGCSA-N 1 2 350.875 3.243 20 30 FGEDLO CC(=[NH+]Nc1cncc(Br)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814887315 727009038 /nfs/dbraw/zinc/00/90/38/727009038.db2.gz QDJRLIKBMNMVMR-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(CS(C)(=O)=O)cc1 ZINC000820634453 729012960 /nfs/dbraw/zinc/01/29/60/729012960.db2.gz MYRVJNWAHKJHHQ-UHFFFAOYSA-N 1 2 358.463 3.031 20 30 FGEDLO COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(N)[nH+]c3)cc2c1C ZINC000821038297 729052391 /nfs/dbraw/zinc/05/23/91/729052391.db2.gz HISVTUJGYOEZTD-HYXAFXHYSA-N 1 2 353.403 3.265 20 30 FGEDLO C#CC[C@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000826873050 729417617 /nfs/dbraw/zinc/41/76/17/729417617.db2.gz FKYPQUBVCOMIEV-HNNXBMFYSA-N 1 2 356.857 3.471 20 30 FGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000840728725 730166969 /nfs/dbraw/zinc/16/69/69/730166969.db2.gz KVBZFQFKBCGERR-GXTWGEPZSA-N 1 2 359.451 3.461 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282181 730827158 /nfs/dbraw/zinc/82/71/58/730827158.db2.gz UATVIVFKWIDTJK-GJZGRUSLSA-N 1 2 361.467 3.042 20 30 FGEDLO C=CCCn1cc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nn1 ZINC000846803398 730982095 /nfs/dbraw/zinc/98/20/95/730982095.db2.gz OGMYDTXXKPZLRC-LJQANCHMSA-N 1 2 360.889 3.453 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](CC3(Br)CC3)CC2)c(Cl)c1 ZINC000846879482 730990410 /nfs/dbraw/zinc/99/04/10/730990410.db2.gz PYTWPFOVHFAIIL-UHFFFAOYSA-N 1 2 354.679 3.261 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000847029793 731009151 /nfs/dbraw/zinc/00/91/51/731009151.db2.gz LNQTWHURPMBQEO-MRXNPFEDSA-N 1 2 353.491 3.478 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000847029793 731009154 /nfs/dbraw/zinc/00/91/54/731009154.db2.gz LNQTWHURPMBQEO-MRXNPFEDSA-N 1 2 353.491 3.478 20 30 FGEDLO Cc1ccc(OCc2nc(C=NNCCCn3cc[nH+]c3)cs2)cc1 ZINC000848418754 731162306 /nfs/dbraw/zinc/16/23/06/731162306.db2.gz SKPCOAFILKWUBK-UHFFFAOYSA-N 1 2 355.467 3.241 20 30 FGEDLO Cc1cc(Br)c2c(c1)C(=NNCCCn1cc[nH+]c1)CCO2 ZINC000848419121 731162312 /nfs/dbraw/zinc/16/23/12/731162312.db2.gz YZWBSKSFPJMIBL-UHFFFAOYSA-N 1 2 363.259 3.121 20 30 FGEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000850539700 731370679 /nfs/dbraw/zinc/37/06/79/731370679.db2.gz FKICSKVTRYTWHS-NSHDSACASA-N 1 2 351.859 3.224 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1C1CC1 ZINC000853623445 731733393 /nfs/dbraw/zinc/73/33/93/731733393.db2.gz HNQPHVNFYKTATG-KDURUIRLSA-N 1 2 360.527 3.328 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1C1CC1 ZINC000853623445 731733399 /nfs/dbraw/zinc/73/33/99/731733399.db2.gz HNQPHVNFYKTATG-KDURUIRLSA-N 1 2 360.527 3.328 20 30 FGEDLO C/C(=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000856717483 732043913 /nfs/dbraw/zinc/04/39/13/732043913.db2.gz ICTHAYBABXXPFJ-SSZFMOIBSA-N 1 2 351.475 3.367 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866087423 733310698 /nfs/dbraw/zinc/31/06/98/733310698.db2.gz TUEXTWKUDUETQW-UHFFFAOYSA-N 1 2 352.463 3.321 20 30 FGEDLO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cccc(C#N)c1O ZINC000866216615 733325489 /nfs/dbraw/zinc/32/54/89/733325489.db2.gz IAUDOOYCGZJCJQ-PBHICJAKSA-N 1 2 357.479 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1cc2nc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000876629264 736123942 /nfs/dbraw/zinc/12/39/42/736123942.db2.gz GEPQYNXBAUPKJF-LLVKDONJSA-N 1 2 356.900 3.125 20 30 FGEDLO C=CC[N@H+](Cc1cc2nc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000876629264 736123946 /nfs/dbraw/zinc/12/39/46/736123946.db2.gz GEPQYNXBAUPKJF-LLVKDONJSA-N 1 2 356.900 3.125 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000876648740 736126547 /nfs/dbraw/zinc/12/65/47/736126547.db2.gz DQWYGFFASZQYKZ-UHFFFAOYSA-N 1 2 360.889 3.268 20 30 FGEDLO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000879322401 736980597 /nfs/dbraw/zinc/98/05/97/736980597.db2.gz SKCGZWFHNUCIAZ-BZUAXINKSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000879322401 736980600 /nfs/dbraw/zinc/98/06/00/736980600.db2.gz SKCGZWFHNUCIAZ-BZUAXINKSA-N 1 2 361.511 3.376 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013087 742363782 /nfs/dbraw/zinc/36/37/82/742363782.db2.gz XTOOAOIAXINTHL-AWEZNQCLSA-N 1 2 362.861 3.329 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013087 742363791 /nfs/dbraw/zinc/36/37/91/742363791.db2.gz XTOOAOIAXINTHL-AWEZNQCLSA-N 1 2 362.861 3.329 20 30 FGEDLO N#Cc1c(N2CCC(Nc3cccc[nH+]3)CC2)nc2cc(Cl)ccn21 ZINC000895349850 742400937 /nfs/dbraw/zinc/40/09/37/742400937.db2.gz OSPRYGSAMDQQDI-UHFFFAOYSA-N 1 2 352.829 3.335 20 30 FGEDLO CSCc1cnc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655285 742578296 /nfs/dbraw/zinc/57/82/96/742578296.db2.gz WPBXVUMVCGKZLW-AWEZNQCLSA-N 1 2 359.524 3.349 20 30 FGEDLO CSCc1cnc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655285 742578299 /nfs/dbraw/zinc/57/82/99/742578299.db2.gz WPBXVUMVCGKZLW-AWEZNQCLSA-N 1 2 359.524 3.349 20 30 FGEDLO FC1(F)[C@H]2C[NH+](Cc3cnccn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897053947 742636919 /nfs/dbraw/zinc/63/69/19/742636919.db2.gz DSIBXWZMKPOCGX-IUCAKERBSA-N 1 2 361.236 3.079 20 30 FGEDLO CCOc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(Br)c1O ZINC000897629959 742697829 /nfs/dbraw/zinc/69/78/29/742697829.db2.gz PSSZYLKYSVMRAF-UHFFFAOYSA-N 1 2 368.256 3.171 20 30 FGEDLO CC(C)C[C@@H](C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)n1cc[nH+]c1 ZINC000899094004 742869773 /nfs/dbraw/zinc/86/97/73/742869773.db2.gz BMGCXHOZMZCPCP-VIFPVBQESA-N 1 2 363.277 3.419 20 30 FGEDLO C/C(=C\C(=O)Nc1ccccc1S[C@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900636721 743141613 /nfs/dbraw/zinc/14/16/13/743141613.db2.gz MHSDGVRPTTTYAZ-QJPKHSJYSA-N 1 2 359.495 3.298 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924775135 759386929 /nfs/dbraw/zinc/38/69/29/759386929.db2.gz GQQAPRGNNQWHJJ-UHFFFAOYSA-N 1 2 358.511 3.493 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917487 761005226 /nfs/dbraw/zinc/00/52/26/761005226.db2.gz DFBICYHIJZYTKD-XHDPSFHLSA-N 1 2 355.335 3.252 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917487 761005239 /nfs/dbraw/zinc/00/52/39/761005239.db2.gz DFBICYHIJZYTKD-XHDPSFHLSA-N 1 2 355.335 3.252 20 30 FGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775026 761470874 /nfs/dbraw/zinc/47/08/74/761470874.db2.gz IIJNXBCYQXLWOW-CQSZACIVSA-N 1 2 357.479 3.280 20 30 FGEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775026 761470879 /nfs/dbraw/zinc/47/08/79/761470879.db2.gz IIJNXBCYQXLWOW-CQSZACIVSA-N 1 2 357.479 3.280 20 30 FGEDLO C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934794276 761721186 /nfs/dbraw/zinc/72/11/86/761721186.db2.gz ISFPMOJJRQLVOH-AOOOYVTPSA-N 1 2 372.300 3.158 20 30 FGEDLO C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@H](C)N1CC(F)(F)F ZINC000934794276 761721192 /nfs/dbraw/zinc/72/11/92/761721192.db2.gz ISFPMOJJRQLVOH-AOOOYVTPSA-N 1 2 372.300 3.158 20 30 FGEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000935414526 761867038 /nfs/dbraw/zinc/86/70/38/761867038.db2.gz XOLPKEBLHJGQJK-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)[C@]12C[C@H]1CCC2 ZINC001003341513 765371666 /nfs/dbraw/zinc/37/16/66/765371666.db2.gz MGQDMASYDNKLOI-DYESRHJHSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001009574222 765747948 /nfs/dbraw/zinc/74/79/48/765747948.db2.gz WFKWKZRHXSIOBE-VHDGCEQUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001009574222 765747957 /nfs/dbraw/zinc/74/79/57/765747957.db2.gz WFKWKZRHXSIOBE-VHDGCEQUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001014472545 765783358 /nfs/dbraw/zinc/78/33/58/765783358.db2.gz XKEIMSSTRSKQLK-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001014472545 765783362 /nfs/dbraw/zinc/78/33/62/765783362.db2.gz XKEIMSSTRSKQLK-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001014472316 765783499 /nfs/dbraw/zinc/78/34/99/765783499.db2.gz VJKMXEHUSXQLAJ-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001014472316 765783502 /nfs/dbraw/zinc/78/35/02/765783502.db2.gz VJKMXEHUSXQLAJ-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452000 766054454 /nfs/dbraw/zinc/05/44/54/766054454.db2.gz FQGQFGKXYMGEBJ-LTIDMASMSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024452000 766054460 /nfs/dbraw/zinc/05/44/60/766054460.db2.gz FQGQFGKXYMGEBJ-LTIDMASMSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001028142481 766112830 /nfs/dbraw/zinc/11/28/30/766112830.db2.gz MYGWHSANDPQWEY-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001028142481 766112835 /nfs/dbraw/zinc/11/28/35/766112835.db2.gz MYGWHSANDPQWEY-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC001031988132 766189792 /nfs/dbraw/zinc/18/97/92/766189792.db2.gz MULDKPRVPKOEDD-WBVHZDCISA-N 1 2 369.292 3.133 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1 ZINC001032677581 766202577 /nfs/dbraw/zinc/20/25/77/766202577.db2.gz MNZRNHCCPMOCIH-VJANTYMQSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001032677581 766202584 /nfs/dbraw/zinc/20/25/84/766202584.db2.gz MNZRNHCCPMOCIH-VJANTYMQSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001033433375 766216245 /nfs/dbraw/zinc/21/62/45/766216245.db2.gz VPMBDFVXTHSBSG-UXLLHSPISA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001033433375 766216247 /nfs/dbraw/zinc/21/62/47/766216247.db2.gz VPMBDFVXTHSBSG-UXLLHSPISA-N 1 2 366.864 3.103 20 30 FGEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)O2 ZINC001053649543 766992821 /nfs/dbraw/zinc/99/28/21/766992821.db2.gz OPZMVHUWZDAUJO-MGPQQGTHSA-N 1 2 366.914 3.041 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000579784604 505619786 /nfs/dbraw/zinc/61/97/86/505619786.db2.gz SSZXVIPOFRUBTF-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO COCC[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(C#N)cc1 ZINC000058397890 493848786 /nfs/dbraw/zinc/84/87/86/493848786.db2.gz LKWGOKYZFTVHNB-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COCC[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(C#N)cc1 ZINC000058397890 493848790 /nfs/dbraw/zinc/84/87/90/493848790.db2.gz LKWGOKYZFTVHNB-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000050091945 493896282 /nfs/dbraw/zinc/89/62/82/493896282.db2.gz VKTJYNJQJRNAGM-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000081515124 493907471 /nfs/dbraw/zinc/90/74/71/493907471.db2.gz KHFKUHFEJITGMF-CYBMUJFWSA-N 1 2 352.276 3.032 20 30 FGEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000081515124 493907472 /nfs/dbraw/zinc/90/74/72/493907472.db2.gz KHFKUHFEJITGMF-CYBMUJFWSA-N 1 2 352.276 3.032 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+](CCC#N)CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000081514686 493908253 /nfs/dbraw/zinc/90/82/53/493908253.db2.gz HHPQHYCQOWQJAC-CYBMUJFWSA-N 1 2 369.387 3.388 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000081514686 493908258 /nfs/dbraw/zinc/90/82/58/493908258.db2.gz HHPQHYCQOWQJAC-CYBMUJFWSA-N 1 2 369.387 3.388 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC23CCC3)c1C#N ZINC000081563289 493917862 /nfs/dbraw/zinc/91/78/62/493917862.db2.gz WZSJZUBTEAKAGY-UHFFFAOYSA-N 1 2 352.438 3.185 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC23CCC3)c1C#N ZINC000081563289 493917865 /nfs/dbraw/zinc/91/78/65/493917865.db2.gz WZSJZUBTEAKAGY-UHFFFAOYSA-N 1 2 352.438 3.185 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cccs1 ZINC000076650733 493942256 /nfs/dbraw/zinc/94/22/56/493942256.db2.gz AOFXJHSIJJGBES-UHFFFAOYSA-N 1 2 350.434 3.373 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cccs1 ZINC000076650733 493942259 /nfs/dbraw/zinc/94/22/59/493942259.db2.gz AOFXJHSIJJGBES-UHFFFAOYSA-N 1 2 350.434 3.373 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 ZINC000032201218 493977426 /nfs/dbraw/zinc/97/74/26/493977426.db2.gz UGDRICGACUBLMJ-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300932 494042216 /nfs/dbraw/zinc/04/22/16/494042216.db2.gz QZTSNKHTRYWYDW-UHFFFAOYSA-N 1 2 351.425 3.044 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300932 494042219 /nfs/dbraw/zinc/04/22/19/494042219.db2.gz QZTSNKHTRYWYDW-UHFFFAOYSA-N 1 2 351.425 3.044 20 30 FGEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070739030 494052560 /nfs/dbraw/zinc/05/25/60/494052560.db2.gz WTPWQWLHFFWGDI-MRXNPFEDSA-N 1 2 367.449 3.013 20 30 FGEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070739030 494052563 /nfs/dbraw/zinc/05/25/63/494052563.db2.gz WTPWQWLHFFWGDI-MRXNPFEDSA-N 1 2 367.449 3.013 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000052919737 494075842 /nfs/dbraw/zinc/07/58/42/494075842.db2.gz SPLCSVGGPGJKIB-MRXNPFEDSA-N 1 2 367.478 3.089 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000052919737 494075844 /nfs/dbraw/zinc/07/58/44/494075844.db2.gz SPLCSVGGPGJKIB-MRXNPFEDSA-N 1 2 367.478 3.089 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000064743231 494146626 /nfs/dbraw/zinc/14/66/26/494146626.db2.gz ROOZDTQHJVFKDM-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO COC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000053898044 494174471 /nfs/dbraw/zinc/17/44/71/494174471.db2.gz FKHBRRDDKVSDOJ-ZDUSSCGKSA-N 1 2 361.511 3.326 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000072720213 494240138 /nfs/dbraw/zinc/24/01/38/494240138.db2.gz OYJYXYHXIMUVRB-IMFGXOCKSA-N 1 2 357.498 3.073 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000072720213 494240141 /nfs/dbraw/zinc/24/01/41/494240141.db2.gz OYJYXYHXIMUVRB-IMFGXOCKSA-N 1 2 357.498 3.073 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000072724595 494241721 /nfs/dbraw/zinc/24/17/21/494241721.db2.gz RIQJKPQAQJVJKW-HNNXBMFYSA-N 1 2 361.511 3.114 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)c1 ZINC000043984572 494333209 /nfs/dbraw/zinc/33/32/09/494333209.db2.gz PLFRDQJKISBOJL-LJQANCHMSA-N 1 2 360.417 3.321 20 30 FGEDLO C=CC[N@@H+](CCOc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559735 494355104 /nfs/dbraw/zinc/35/51/04/494355104.db2.gz PSQIFNKCKUJTDI-GFCCVEGCSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559735 494355107 /nfs/dbraw/zinc/35/51/07/494355107.db2.gz PSQIFNKCKUJTDI-GFCCVEGCSA-N 1 2 364.294 3.047 20 30 FGEDLO COc1cccc([C@H](NC(=O)Nc2ccc(C#N)cc2)c2[nH+]ccn2C)c1 ZINC000045029399 494392536 /nfs/dbraw/zinc/39/25/36/494392536.db2.gz RGNXUZAEUPOITR-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079025928 494395057 /nfs/dbraw/zinc/39/50/57/494395057.db2.gz LUZNGQGRYXHKIZ-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO C[C@H](Cc1cccs1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073682876 494413651 /nfs/dbraw/zinc/41/36/51/494413651.db2.gz UONRYIDOWGTLTG-MRXNPFEDSA-N 1 2 368.506 3.078 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066847448 494422934 /nfs/dbraw/zinc/42/29/34/494422934.db2.gz UDMNYKOLQGDRGG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066847448 494422940 /nfs/dbraw/zinc/42/29/40/494422940.db2.gz UDMNYKOLQGDRGG-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCc2ccccc2C1 ZINC000079298346 494432096 /nfs/dbraw/zinc/43/20/96/494432096.db2.gz QVBARNBGEPUVOZ-DEOSSOPVSA-N 1 2 373.500 3.398 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1cccs1 ZINC000019540634 494449309 /nfs/dbraw/zinc/44/93/09/494449309.db2.gz ZCHBYVQRTUSBIP-UHFFFAOYSA-N 1 2 359.451 3.093 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1cccs1 ZINC000019540634 494449315 /nfs/dbraw/zinc/44/93/15/494449315.db2.gz ZCHBYVQRTUSBIP-UHFFFAOYSA-N 1 2 359.451 3.093 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c(F)c1 ZINC000073957231 494457139 /nfs/dbraw/zinc/45/71/39/494457139.db2.gz DJDJDQZMGHOHSN-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000056612882 494536486 /nfs/dbraw/zinc/53/64/86/494536486.db2.gz JIYLHJKPFXDKOL-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000024590055 494644668 /nfs/dbraw/zinc/64/46/68/494644668.db2.gz JDHNJQXLMCIYKI-INIZCTEOSA-N 1 2 350.388 3.267 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1O ZINC000092539529 494663258 /nfs/dbraw/zinc/66/32/58/494663258.db2.gz OMHIPYJQMPLICI-UHFFFAOYSA-N 1 2 372.509 3.354 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000091936887 494728132 /nfs/dbraw/zinc/72/81/32/494728132.db2.gz JERKCKFYOHBMHQ-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000091936887 494728142 /nfs/dbraw/zinc/72/81/42/494728142.db2.gz JERKCKFYOHBMHQ-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1OC ZINC000092789587 494749630 /nfs/dbraw/zinc/74/96/30/494749630.db2.gz ZUNMEPDLCHLFOB-UHFFFAOYSA-N 1 2 368.477 3.283 20 30 FGEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000080627925 494750059 /nfs/dbraw/zinc/75/00/59/494750059.db2.gz GSALODJXJQSWNT-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000080627925 494750063 /nfs/dbraw/zinc/75/00/63/494750063.db2.gz GSALODJXJQSWNT-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000068081817 494755535 /nfs/dbraw/zinc/75/55/35/494755535.db2.gz KNBHABFPTYHRFO-OAHLLOKOSA-N 1 2 362.433 3.453 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OC ZINC000075553215 494792823 /nfs/dbraw/zinc/79/28/23/494792823.db2.gz HHCBGAYJQHMCPF-OAHLLOKOSA-N 1 2 355.438 3.175 20 30 FGEDLO C[N@H+](CCOc1ccccc1F)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612431 494803844 /nfs/dbraw/zinc/80/38/44/494803844.db2.gz VUKUGNLLNXPQIS-UHFFFAOYSA-N 1 2 352.369 3.258 20 30 FGEDLO C[N@@H+](CCOc1ccccc1F)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612431 494803848 /nfs/dbraw/zinc/80/38/48/494803848.db2.gz VUKUGNLLNXPQIS-UHFFFAOYSA-N 1 2 352.369 3.258 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000127012250 494880036 /nfs/dbraw/zinc/88/00/36/494880036.db2.gz WAIVGHLKSLQSTA-SFHVURJKSA-N 1 2 365.477 3.174 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2n1C ZINC000127012250 494880043 /nfs/dbraw/zinc/88/00/43/494880043.db2.gz WAIVGHLKSLQSTA-SFHVURJKSA-N 1 2 365.477 3.174 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc(OC)c1O ZINC000093413274 494887960 /nfs/dbraw/zinc/88/79/60/494887960.db2.gz VSFPMMATBPPVKP-QGZVFWFLSA-N 1 2 367.493 3.403 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc(OC)c1O ZINC000093457718 494893498 /nfs/dbraw/zinc/89/34/98/494893498.db2.gz ARDXCYZPRQLOTA-HXUWFJFHSA-N 1 2 355.434 3.408 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc(OC)c1O ZINC000093457718 494893501 /nfs/dbraw/zinc/89/35/01/494893501.db2.gz ARDXCYZPRQLOTA-HXUWFJFHSA-N 1 2 355.434 3.408 20 30 FGEDLO N#Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000132615578 494899738 /nfs/dbraw/zinc/89/97/38/494899738.db2.gz YYODRVGREGOODR-RTWAWAEBSA-N 1 2 371.444 3.483 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1F ZINC000122028270 494911675 /nfs/dbraw/zinc/91/16/75/494911675.db2.gz QVSLJGHJVPZDMF-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1F ZINC000122028270 494911680 /nfs/dbraw/zinc/91/16/80/494911680.db2.gz QVSLJGHJVPZDMF-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000109813825 494921657 /nfs/dbraw/zinc/92/16/57/494921657.db2.gz FKIYDJRJCHHYOS-HNNXBMFYSA-N 1 2 361.486 3.143 20 30 FGEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000109813825 494921662 /nfs/dbraw/zinc/92/16/62/494921662.db2.gz FKIYDJRJCHHYOS-HNNXBMFYSA-N 1 2 361.486 3.143 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127579316 494964946 /nfs/dbraw/zinc/96/49/46/494964946.db2.gz QTPRKPJHTHKWNG-UWJYYQICSA-N 1 2 360.461 3.478 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127579316 494964950 /nfs/dbraw/zinc/96/49/50/494964950.db2.gz QTPRKPJHTHKWNG-UWJYYQICSA-N 1 2 360.461 3.478 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000118396898 494999452 /nfs/dbraw/zinc/99/94/52/494999452.db2.gz YTGTXYPCWPMRIA-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128397003 495090567 /nfs/dbraw/zinc/09/05/67/495090567.db2.gz YBADNDSHRQTJMC-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128397003 495090568 /nfs/dbraw/zinc/09/05/68/495090568.db2.gz YBADNDSHRQTJMC-FQEVSTJZSA-N 1 2 370.474 3.178 20 30 FGEDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)ccc1F ZINC000128498518 495105723 /nfs/dbraw/zinc/10/57/23/495105723.db2.gz JWGILDRMMKNOIJ-KRWDZBQOSA-N 1 2 373.453 3.469 20 30 FGEDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)ccc1F ZINC000128498518 495105726 /nfs/dbraw/zinc/10/57/26/495105726.db2.gz JWGILDRMMKNOIJ-KRWDZBQOSA-N 1 2 373.453 3.469 20 30 FGEDLO C=CCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000128692390 495136647 /nfs/dbraw/zinc/13/66/47/495136647.db2.gz LXEWVOXVNBVRPB-UHFFFAOYSA-N 1 2 362.474 3.085 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128780841 495149531 /nfs/dbraw/zinc/14/95/31/495149531.db2.gz YCYZFVCDPJLJSC-INIZCTEOSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128780841 495149536 /nfs/dbraw/zinc/14/95/36/495149536.db2.gz YCYZFVCDPJLJSC-INIZCTEOSA-N 1 2 355.825 3.303 20 30 FGEDLO CCCC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000119498042 495178161 /nfs/dbraw/zinc/17/81/61/495178161.db2.gz LQDXRFAKBGIIJS-QGZVFWFLSA-N 1 2 373.478 3.002 20 30 FGEDLO CCCC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000119498042 495178166 /nfs/dbraw/zinc/17/81/66/495178166.db2.gz LQDXRFAKBGIIJS-QGZVFWFLSA-N 1 2 373.478 3.002 20 30 FGEDLO N#Cc1cc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)ccc1F ZINC000123791571 495187229 /nfs/dbraw/zinc/18/72/29/495187229.db2.gz JBSBFGUIQJXGJX-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO C=CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1-c1cnccn1 ZINC000124083829 495231576 /nfs/dbraw/zinc/23/15/76/495231576.db2.gz ATHAYNISHDLSTJ-UHFFFAOYSA-N 1 2 368.466 3.234 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000104675094 495296378 /nfs/dbraw/zinc/29/63/78/495296378.db2.gz GAYVUDBSAKODPP-OAQYLSRUSA-N 1 2 365.477 3.381 20 30 FGEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1CCCOc1cccc(C#N)c1 ZINC000124499666 495297183 /nfs/dbraw/zinc/29/71/83/495297183.db2.gz XIXGCTGZFCBXAT-HNNXBMFYSA-N 1 2 350.422 3.170 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000104713894 495299904 /nfs/dbraw/zinc/29/99/04/495299904.db2.gz RMAZGHOFQSZLSK-UHFFFAOYSA-N 1 2 359.433 3.127 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120458324 495384152 /nfs/dbraw/zinc/38/41/52/495384152.db2.gz UWPHNKVJIWNEBF-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120458324 495384155 /nfs/dbraw/zinc/38/41/55/495384155.db2.gz UWPHNKVJIWNEBF-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC ZINC000120494831 495392065 /nfs/dbraw/zinc/39/20/65/495392065.db2.gz VJPUBWHBWIYLNV-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC ZINC000120494831 495392070 /nfs/dbraw/zinc/39/20/70/495392070.db2.gz VJPUBWHBWIYLNV-UHFFFAOYSA-N 1 2 367.449 3.426 20 30 FGEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000125217596 495408089 /nfs/dbraw/zinc/40/80/89/495408089.db2.gz NXQMOFJKSAIMNF-UHFFFAOYSA-N 1 2 352.394 3.158 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000125217596 495408094 /nfs/dbraw/zinc/40/80/94/495408094.db2.gz NXQMOFJKSAIMNF-UHFFFAOYSA-N 1 2 352.394 3.158 20 30 FGEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccccc2)c1 ZINC000580543359 505782494 /nfs/dbraw/zinc/78/24/94/505782494.db2.gz CFSIRBIRMLMZJF-OXQOHEQNSA-N 1 2 367.474 3.213 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000568816475 505783317 /nfs/dbraw/zinc/78/33/17/505783317.db2.gz JHLRGAQWYPJJNW-SJLPKXTDSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1Cl ZINC000568816475 505783321 /nfs/dbraw/zinc/78/33/21/505783321.db2.gz JHLRGAQWYPJJNW-SJLPKXTDSA-N 1 2 359.857 3.184 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414897 495501577 /nfs/dbraw/zinc/50/15/77/495501577.db2.gz BDSKYTVBVCFSMV-DYVFJYSZSA-N 1 2 373.403 3.023 20 30 FGEDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534509 495514374 /nfs/dbraw/zinc/51/43/74/495514374.db2.gz NBQYACHIOVNQIY-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534509 495514376 /nfs/dbraw/zinc/51/43/76/495514376.db2.gz NBQYACHIOVNQIY-INIZCTEOSA-N 1 2 363.339 3.115 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCCc1nc2ccccc2s1 ZINC000173541038 495581122 /nfs/dbraw/zinc/58/11/22/495581122.db2.gz FVXAWESNKDOTEW-UHFFFAOYSA-N 1 2 358.511 3.217 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCCc1nc2ccccc2s1 ZINC000173541038 495581125 /nfs/dbraw/zinc/58/11/25/495581125.db2.gz FVXAWESNKDOTEW-UHFFFAOYSA-N 1 2 358.511 3.217 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185577540 495629102 /nfs/dbraw/zinc/62/91/02/495629102.db2.gz KWXFWSMCSWUPPZ-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185577540 495629109 /nfs/dbraw/zinc/62/91/09/495629109.db2.gz KWXFWSMCSWUPPZ-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000154693164 495696418 /nfs/dbraw/zinc/69/64/18/495696418.db2.gz IOKCYPCLBNIHMS-UHFFFAOYSA-N 1 2 373.416 3.491 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902452 495738502 /nfs/dbraw/zinc/73/85/02/495738502.db2.gz LQFPHDRYNREJLM-CVEARBPZSA-N 1 2 374.510 3.019 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3nccs3)C2)C1=O ZINC000177032409 495891964 /nfs/dbraw/zinc/89/19/64/495891964.db2.gz URVIQQMPWQQMSE-KBPBESRZSA-N 1 2 358.492 3.061 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3nccs3)C2)C1=O ZINC000177032409 495891970 /nfs/dbraw/zinc/89/19/70/495891970.db2.gz URVIQQMPWQQMSE-KBPBESRZSA-N 1 2 358.492 3.061 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186201971 495894429 /nfs/dbraw/zinc/89/44/29/495894429.db2.gz YKIXQYBJJNNKTI-UHFFFAOYSA-N 1 2 362.408 3.273 20 30 FGEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000180209605 495907642 /nfs/dbraw/zinc/90/76/42/495907642.db2.gz RWDMHTCCVPIWJC-UHFFFAOYSA-N 1 2 372.900 3.216 20 30 FGEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000180209605 495907647 /nfs/dbraw/zinc/90/76/47/495907647.db2.gz RWDMHTCCVPIWJC-UHFFFAOYSA-N 1 2 372.900 3.216 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000186288179 495930186 /nfs/dbraw/zinc/93/01/86/495930186.db2.gz CILSIGPURZILSX-GOSISDBHSA-N 1 2 368.525 3.028 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000186288179 495930194 /nfs/dbraw/zinc/93/01/94/495930194.db2.gz CILSIGPURZILSX-GOSISDBHSA-N 1 2 368.525 3.028 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1C)c1[nH+]ccn1C ZINC000160344634 495941200 /nfs/dbraw/zinc/94/12/00/495941200.db2.gz GXYPXDMWZSSPPN-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171723068 496008554 /nfs/dbraw/zinc/00/85/54/496008554.db2.gz RFPLNTCSGUAGRM-INIZCTEOSA-N 1 2 364.449 3.478 20 30 FGEDLO Cc1c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174571881 496015422 /nfs/dbraw/zinc/01/54/22/496015422.db2.gz HMHMJAMNLXOMKW-FQEVSTJZSA-N 1 2 350.422 3.286 20 30 FGEDLO N#CCCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171847840 496061579 /nfs/dbraw/zinc/06/15/79/496061579.db2.gz JXPDELCROILQMF-INIZCTEOSA-N 1 2 366.868 3.437 20 30 FGEDLO N#CCCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171847840 496061580 /nfs/dbraw/zinc/06/15/80/496061580.db2.gz JXPDELCROILQMF-INIZCTEOSA-N 1 2 366.868 3.437 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3C#N)CC2)cc1 ZINC000174864312 496138557 /nfs/dbraw/zinc/13/85/57/496138557.db2.gz GUELIODWTLOFTE-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177789471 496196553 /nfs/dbraw/zinc/19/65/53/496196553.db2.gz SSWMTADJLMBMIZ-CQSZACIVSA-N 1 2 360.527 3.185 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177789471 496196558 /nfs/dbraw/zinc/19/65/58/496196558.db2.gz SSWMTADJLMBMIZ-CQSZACIVSA-N 1 2 360.527 3.185 20 30 FGEDLO CC#CCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000184102690 496239585 /nfs/dbraw/zinc/23/95/85/496239585.db2.gz DWUQLWPDVJOVBU-UHFFFAOYSA-N 1 2 372.900 3.216 20 30 FGEDLO CC#CCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000184102690 496239586 /nfs/dbraw/zinc/23/95/86/496239586.db2.gz DWUQLWPDVJOVBU-UHFFFAOYSA-N 1 2 372.900 3.216 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000181191980 496306137 /nfs/dbraw/zinc/30/61/37/496306137.db2.gz VJJNGXSTAJZDQU-DJIMGWMZSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000181191980 496306142 /nfs/dbraw/zinc/30/61/42/496306142.db2.gz VJJNGXSTAJZDQU-DJIMGWMZSA-N 1 2 365.271 3.089 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571878231 505836147 /nfs/dbraw/zinc/83/61/47/505836147.db2.gz RYYXCVJPMZBTFM-OLMNPRSZSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000571878231 505836150 /nfs/dbraw/zinc/83/61/50/505836150.db2.gz RYYXCVJPMZBTFM-OLMNPRSZSA-N 1 2 372.465 3.072 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178162719 496352222 /nfs/dbraw/zinc/35/22/22/496352222.db2.gz XTASHOHBWCMUFK-INIZCTEOSA-N 1 2 367.453 3.177 20 30 FGEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187236211 496353729 /nfs/dbraw/zinc/35/37/29/496353729.db2.gz TVLJJIAHPBUQDS-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187236211 496353731 /nfs/dbraw/zinc/35/37/31/496353731.db2.gz TVLJJIAHPBUQDS-LBPRGKRZSA-N 1 2 363.870 3.052 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000571903199 505842856 /nfs/dbraw/zinc/84/28/56/505842856.db2.gz OLJJWNUDWYWNQN-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccco1 ZINC000184571331 496445318 /nfs/dbraw/zinc/44/53/18/496445318.db2.gz VOAIZMCFGGQWAA-MRXNPFEDSA-N 1 2 361.829 3.157 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccco1 ZINC000184575520 496445983 /nfs/dbraw/zinc/44/59/83/496445983.db2.gz RBGMBPPFKMTVBU-QGZVFWFLSA-N 1 2 355.438 3.120 20 30 FGEDLO CCC(CC)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCOCC1 ZINC000173146761 496569369 /nfs/dbraw/zinc/56/93/69/496569369.db2.gz CORRIMHGDMLLEY-HXUWFJFHSA-N 1 2 373.497 3.445 20 30 FGEDLO CC[C@@H](C#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000179237604 496719088 /nfs/dbraw/zinc/71/90/88/496719088.db2.gz WDJRYPNEPFHWGL-GJZGRUSLSA-N 1 2 350.260 3.004 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000569162089 505866795 /nfs/dbraw/zinc/86/67/95/505866795.db2.gz SKTZCRNSGHHYFC-GUYCJALGSA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCCOC2)O1 ZINC000569162089 505866798 /nfs/dbraw/zinc/86/67/98/505866798.db2.gz SKTZCRNSGHHYFC-GUYCJALGSA-N 1 2 354.372 3.347 20 30 FGEDLO CCCCCCCCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264163031 496825574 /nfs/dbraw/zinc/82/55/74/496825574.db2.gz BLSFAXRYYOSDSA-UHFFFAOYSA-N 1 2 374.529 3.150 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000273714790 496882256 /nfs/dbraw/zinc/88/22/56/496882256.db2.gz QTUAKISOHWZGEF-UONOGXRCSA-N 1 2 357.483 3.141 20 30 FGEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](CC#Cc3ccccc3)CC2)cs1 ZINC000192043975 496973515 /nfs/dbraw/zinc/97/35/15/496973515.db2.gz BGPZABADPYMNRH-SFHVURJKSA-N 1 2 369.534 3.410 20 30 FGEDLO C=C(Br)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000269599849 496975732 /nfs/dbraw/zinc/97/57/32/496975732.db2.gz KLTPLHUBFZGZHK-UHFFFAOYSA-N 1 2 356.239 3.320 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000270157887 497067901 /nfs/dbraw/zinc/06/79/01/497067901.db2.gz TUAHSOBVWGQERB-LJQANCHMSA-N 1 2 358.445 3.450 20 30 FGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000572085550 505885103 /nfs/dbraw/zinc/88/51/03/505885103.db2.gz QRWMFDQZIUQVPU-SNVBAGLBSA-N 1 2 355.389 3.147 20 30 FGEDLO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000572085550 505885106 /nfs/dbraw/zinc/88/51/06/505885106.db2.gz QRWMFDQZIUQVPU-SNVBAGLBSA-N 1 2 355.389 3.147 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248994549 497148128 /nfs/dbraw/zinc/14/81/28/497148128.db2.gz LTPAYQDOWVRZIG-HUUCEWRRSA-N 1 2 361.436 3.485 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248994549 497148132 /nfs/dbraw/zinc/14/81/32/497148132.db2.gz LTPAYQDOWVRZIG-HUUCEWRRSA-N 1 2 361.436 3.485 20 30 FGEDLO N#Cc1cc(F)c(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c(F)c1 ZINC000192751619 497203954 /nfs/dbraw/zinc/20/39/54/497203954.db2.gz NZNHWBAYQKARPQ-UHFFFAOYSA-N 1 2 358.392 3.052 20 30 FGEDLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)cc1C#N ZINC000266123203 497261553 /nfs/dbraw/zinc/26/15/53/497261553.db2.gz ANBBFWGXIJFUTF-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000278935688 497273141 /nfs/dbraw/zinc/27/31/41/497273141.db2.gz NBGBROYSMJMTDR-UHFFFAOYSA-N 1 2 356.470 3.034 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1C ZINC000251778304 497284919 /nfs/dbraw/zinc/28/49/19/497284919.db2.gz LGFOCVGBDVFZCK-BFYDXBDKSA-N 1 2 361.511 3.234 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[C@H]1C ZINC000251778304 497284921 /nfs/dbraw/zinc/28/49/21/497284921.db2.gz LGFOCVGBDVFZCK-BFYDXBDKSA-N 1 2 361.511 3.234 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cnc4ccccc43)c[nH+]2)CCO1 ZINC000266335058 497308439 /nfs/dbraw/zinc/30/84/39/497308439.db2.gz HMGYZMZUGHGIBP-HNNXBMFYSA-N 1 2 359.433 3.339 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193154230 497313878 /nfs/dbraw/zinc/31/38/78/497313878.db2.gz CXSFJKYXOAYPLI-UHFFFAOYSA-N 1 2 369.852 3.134 20 30 FGEDLO C=C[C@@](C)(CCOC)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000275506511 497346940 /nfs/dbraw/zinc/34/69/40/497346940.db2.gz UDDDESGESZKSBS-XLIONFOSSA-N 1 2 357.454 3.123 20 30 FGEDLO C=C[C@@](C)(CCOC)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000275506511 497346948 /nfs/dbraw/zinc/34/69/48/497346948.db2.gz UDDDESGESZKSBS-XLIONFOSSA-N 1 2 357.454 3.123 20 30 FGEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000245468680 497422067 /nfs/dbraw/zinc/42/20/67/497422067.db2.gz TZUQRLUSNIXYIE-MJGOQNOKSA-N 1 2 369.852 3.265 20 30 FGEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000245468680 497422070 /nfs/dbraw/zinc/42/20/70/497422070.db2.gz TZUQRLUSNIXYIE-MJGOQNOKSA-N 1 2 369.852 3.265 20 30 FGEDLO C=CCC1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)CCC1 ZINC000190431620 497476879 /nfs/dbraw/zinc/47/68/79/497476879.db2.gz JEFQSMPWDZYWHT-UHFFFAOYSA-N 1 2 372.900 3.378 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000578300351 505909555 /nfs/dbraw/zinc/90/95/55/505909555.db2.gz RTXIZQLTTZZXMF-SNVBAGLBSA-N 1 2 360.508 3.471 20 30 FGEDLO C=C[C@@H](CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC000245697153 497506963 /nfs/dbraw/zinc/50/69/63/497506963.db2.gz YNFMXIOFCVQVMM-HKUYNNGSSA-N 1 2 365.477 3.283 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1O ZINC000190502764 497507843 /nfs/dbraw/zinc/50/78/43/497507843.db2.gz NLBKGFYKGIFJGE-SFHVURJKSA-N 1 2 369.852 3.484 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245709618 497511520 /nfs/dbraw/zinc/51/15/20/497511520.db2.gz SOPPFGQPOHZPPC-RTBURBONSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245709618 497511524 /nfs/dbraw/zinc/51/15/24/497511524.db2.gz SOPPFGQPOHZPPC-RTBURBONSA-N 1 2 370.403 3.081 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279804551 497547173 /nfs/dbraw/zinc/54/71/73/497547173.db2.gz PMAIUAJLZLJSEO-IGCXYCKISA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279804551 497547177 /nfs/dbraw/zinc/54/71/77/497547177.db2.gz PMAIUAJLZLJSEO-IGCXYCKISA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC2(CCOCC2)O1 ZINC000279961787 497603105 /nfs/dbraw/zinc/60/31/05/497603105.db2.gz YJKDZIKXZUXGDZ-ZDUSSCGKSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC2(CCOCC2)O1 ZINC000279961787 497603107 /nfs/dbraw/zinc/60/31/07/497603107.db2.gz YJKDZIKXZUXGDZ-ZDUSSCGKSA-N 1 2 365.271 3.091 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272513762 497648712 /nfs/dbraw/zinc/64/87/12/497648712.db2.gz GMKASYVVHHXXNJ-HNNXBMFYSA-N 1 2 357.454 3.204 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000280207558 497681738 /nfs/dbraw/zinc/68/17/38/497681738.db2.gz IXFVDGNTJPOXAO-UHFFFAOYSA-N 1 2 372.472 3.317 20 30 FGEDLO CCC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147378 497686554 /nfs/dbraw/zinc/68/65/54/497686554.db2.gz GPPBORDIUUSDPR-HOCLYGCPSA-N 1 2 352.438 3.024 20 30 FGEDLO CCC[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147378 497686557 /nfs/dbraw/zinc/68/65/57/497686557.db2.gz GPPBORDIUUSDPR-HOCLYGCPSA-N 1 2 352.438 3.024 20 30 FGEDLO Cc1cc(C(F)(F)F)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000191037050 497690148 /nfs/dbraw/zinc/69/01/48/497690148.db2.gz OAGRGXRJYRPYIL-UHFFFAOYSA-N 1 2 355.404 3.062 20 30 FGEDLO N#Cc1c(F)ccc(CNc2cccc(CN3CCOCC3)[nH+]2)c1Cl ZINC000276980175 497706498 /nfs/dbraw/zinc/70/64/98/497706498.db2.gz GQQPEZHYCHHVMD-UHFFFAOYSA-N 1 2 360.820 3.190 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000191283190 497768095 /nfs/dbraw/zinc/76/80/95/497768095.db2.gz SBELXKLDHODQHM-UHFFFAOYSA-N 1 2 367.472 3.259 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246616670 497789282 /nfs/dbraw/zinc/78/92/82/497789282.db2.gz VHJWFNKVOYQKSV-KUHUBIRLSA-N 1 2 358.463 3.469 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246616670 497789286 /nfs/dbraw/zinc/78/92/86/497789286.db2.gz VHJWFNKVOYQKSV-KUHUBIRLSA-N 1 2 358.463 3.469 20 30 FGEDLO Cc1oc(C#N)cc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000280663021 497847943 /nfs/dbraw/zinc/84/79/43/497847943.db2.gz XSNXPQZSZSKJRL-KRWDZBQOSA-N 1 2 350.378 3.083 20 30 FGEDLO Cc1oc(C#N)cc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000280663021 497847953 /nfs/dbraw/zinc/84/79/53/497847953.db2.gz XSNXPQZSZSKJRL-KRWDZBQOSA-N 1 2 350.378 3.083 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]C[C@]2(C)OCCc3sccc32)C[C@H]1n1cc[nH+]c1 ZINC000329732801 497883087 /nfs/dbraw/zinc/88/30/87/497883087.db2.gz JCRIHNBJTNDZSN-OGWOLHLISA-N 1 2 374.510 3.230 20 30 FGEDLO C[C@@H]1CCN(C(=O)NC[C@]2(C)OCCc3sccc32)C[C@H]1n1cc[nH+]c1 ZINC000329732801 497883089 /nfs/dbraw/zinc/88/30/89/497883089.db2.gz JCRIHNBJTNDZSN-OGWOLHLISA-N 1 2 374.510 3.230 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C12CCCCC2 ZINC000329756997 497891074 /nfs/dbraw/zinc/89/10/74/497891074.db2.gz ZAONVACRRGOFQF-FHLIZLRMSA-N 1 2 360.502 3.241 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C12CCCCC2 ZINC000329756997 497891082 /nfs/dbraw/zinc/89/10/82/497891082.db2.gz ZAONVACRRGOFQF-FHLIZLRMSA-N 1 2 360.502 3.241 20 30 FGEDLO C[C@]1(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCO[C@H]1C1CC1 ZINC000329764478 497893202 /nfs/dbraw/zinc/89/32/02/497893202.db2.gz VTJYYUKCYYCSSP-FPOVZHCZSA-N 1 2 372.513 3.423 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCOCC2(CCC2)C1 ZINC000329784192 497900110 /nfs/dbraw/zinc/90/01/10/497900110.db2.gz PCCCTQJQGUCQPF-UHFFFAOYSA-N 1 2 364.515 3.177 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329810715 497909228 /nfs/dbraw/zinc/90/92/28/497909228.db2.gz CMINMZBSVFLFEQ-ATZDWAIDSA-N 1 2 373.472 3.350 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329810715 497909233 /nfs/dbraw/zinc/90/92/33/497909233.db2.gz CMINMZBSVFLFEQ-ATZDWAIDSA-N 1 2 373.472 3.350 20 30 FGEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[C@H]1O ZINC000329823917 497914868 /nfs/dbraw/zinc/91/48/68/497914868.db2.gz QKWLKYVGIAHMEI-KBXCAEBGSA-N 1 2 354.454 3.135 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)CC3)n2)C1 ZINC000329894469 497943044 /nfs/dbraw/zinc/94/30/44/497943044.db2.gz BHBYOTFIKLMPFL-KBXCAEBGSA-N 1 2 366.531 3.157 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@](C)(O)CC3)n2)C1 ZINC000329894469 497943050 /nfs/dbraw/zinc/94/30/50/497943050.db2.gz BHBYOTFIKLMPFL-KBXCAEBGSA-N 1 2 366.531 3.157 20 30 FGEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CCO1 ZINC000329961719 497971364 /nfs/dbraw/zinc/97/13/64/497971364.db2.gz SHKPBIIMYWICCN-LUKYLMHMSA-N 1 2 367.465 3.366 20 30 FGEDLO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CCO1 ZINC000329961719 497971371 /nfs/dbraw/zinc/97/13/71/497971371.db2.gz SHKPBIIMYWICCN-LUKYLMHMSA-N 1 2 367.465 3.366 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329976412 497977274 /nfs/dbraw/zinc/97/72/74/497977274.db2.gz YRFXCMWWHQYZMR-SFHVURJKSA-N 1 2 369.513 3.289 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000330041139 498000938 /nfs/dbraw/zinc/00/09/38/498000938.db2.gz GBWJNFZFRAGVQA-LBPRGKRZSA-N 1 2 356.455 3.096 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330135043 498034298 /nfs/dbraw/zinc/03/42/98/498034298.db2.gz SJVZONRVEWTXTA-HEFCMCLBSA-N 1 2 362.445 3.256 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000330135043 498034303 /nfs/dbraw/zinc/03/43/03/498034303.db2.gz SJVZONRVEWTXTA-HEFCMCLBSA-N 1 2 362.445 3.256 20 30 FGEDLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000330151173 498042625 /nfs/dbraw/zinc/04/26/25/498042625.db2.gz NLTRDVFJBNDWIM-QGZVFWFLSA-N 1 2 364.445 3.330 20 30 FGEDLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000330151173 498042629 /nfs/dbraw/zinc/04/26/29/498042629.db2.gz NLTRDVFJBNDWIM-QGZVFWFLSA-N 1 2 364.445 3.330 20 30 FGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1SCCc2ccccc21 ZINC000330185671 498052535 /nfs/dbraw/zinc/05/25/35/498052535.db2.gz JGWRMEVZOKQPIM-GOSISDBHSA-N 1 2 370.522 3.296 20 30 FGEDLO Cc1cc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)cnc1N1CCCC[C@H]1C ZINC000330226448 498068805 /nfs/dbraw/zinc/06/88/05/498068805.db2.gz BMQQYURQSFGBRD-HZPDHXFCSA-N 1 2 368.485 3.306 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cnc1N1CCCC[C@H]1C ZINC000330226448 498068809 /nfs/dbraw/zinc/06/88/09/498068809.db2.gz BMQQYURQSFGBRD-HZPDHXFCSA-N 1 2 368.485 3.306 20 30 FGEDLO CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330280741 498092020 /nfs/dbraw/zinc/09/20/20/498092020.db2.gz SXPMDUITMMNYBN-RHSMWYFYSA-N 1 2 358.442 3.193 20 30 FGEDLO C#CCOCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000292670066 498103396 /nfs/dbraw/zinc/10/33/96/498103396.db2.gz LMMFOSYTUQGTHW-UHFFFAOYSA-N 1 2 356.495 3.012 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330335093 498108868 /nfs/dbraw/zinc/10/88/68/498108868.db2.gz RFDBZWJBBAWSBG-RBUKOAKNSA-N 1 2 367.497 3.462 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330355723 498116968 /nfs/dbraw/zinc/11/69/68/498116968.db2.gz QVPAHOHSHNQFTR-QGZVFWFLSA-N 1 2 370.457 3.250 20 30 FGEDLO CCCn1c(C)nnc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285581666 498137588 /nfs/dbraw/zinc/13/75/88/498137588.db2.gz VFJDMJDSZLATNA-UHFFFAOYSA-N 1 2 357.433 3.051 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000301543490 498154778 /nfs/dbraw/zinc/15/47/78/498154778.db2.gz SPYGRGKKGIKQDB-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO CC(C)c1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nn1C(C)(C)C ZINC000330620699 498161991 /nfs/dbraw/zinc/16/19/91/498161991.db2.gz KVUBDDIUPFXKQX-CABCVRRESA-N 1 2 350.507 3.175 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301673540 498217682 /nfs/dbraw/zinc/21/76/82/498217682.db2.gz ZYFXCKLCHBYDIO-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(C#N)s1 ZINC000359902030 498228024 /nfs/dbraw/zinc/22/80/24/498228024.db2.gz RBACIBOCKHNHSI-VHSXEESVSA-N 1 2 355.389 3.187 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000301707548 498233037 /nfs/dbraw/zinc/23/30/37/498233037.db2.gz IYQQQHJKBDJXQH-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1[C@H]1CCCO1 ZINC000289679086 498244344 /nfs/dbraw/zinc/24/43/44/498244344.db2.gz HNSJTFGNIKHAFI-CRAIPNDOSA-N 1 2 359.495 3.130 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1[C@H]1CCCO1 ZINC000289679086 498244351 /nfs/dbraw/zinc/24/43/51/498244351.db2.gz HNSJTFGNIKHAFI-CRAIPNDOSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000289760540 498280811 /nfs/dbraw/zinc/28/08/11/498280811.db2.gz QHWWGJJSSZQFFH-LBPRGKRZSA-N 1 2 362.886 3.044 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000281827383 498284296 /nfs/dbraw/zinc/28/42/96/498284296.db2.gz PPJBLCBMXRCZIX-UYAOXDASSA-N 1 2 372.513 3.098 20 30 FGEDLO Cc1ccc(Cl)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C ZINC000331255995 498286834 /nfs/dbraw/zinc/28/68/34/498286834.db2.gz ZCCFVQXSCYRJDR-UHFFFAOYSA-N 1 2 352.866 3.434 20 30 FGEDLO C[C@@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)[NH+]1CCOCC1 ZINC000331319157 498300310 /nfs/dbraw/zinc/30/03/10/498300310.db2.gz ZQQWDZMWHUQEFF-VIFPVBQESA-N 1 2 350.221 3.179 20 30 FGEDLO C#CCOc1ccc(C(=O)N(CC)[C@@H](c2[nH+]ccn2C)c2cccnc2)cc1 ZINC000360940330 498323863 /nfs/dbraw/zinc/32/38/63/498323863.db2.gz GOMGERQFUYEBPP-HXUWFJFHSA-N 1 2 374.444 3.079 20 30 FGEDLO Cc1cc(N2CCC[N@H+](CC(F)F)CC2)n2c3ccccc3nc2c1C#N ZINC000301921359 498329167 /nfs/dbraw/zinc/32/91/67/498329167.db2.gz KZMCXOIDMDROOB-UHFFFAOYSA-N 1 2 369.419 3.445 20 30 FGEDLO Cc1cc(N2CCC[N@@H+](CC(F)F)CC2)n2c3ccccc3nc2c1C#N ZINC000301921359 498329172 /nfs/dbraw/zinc/32/91/72/498329172.db2.gz KZMCXOIDMDROOB-UHFFFAOYSA-N 1 2 369.419 3.445 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1F ZINC000361069000 498341117 /nfs/dbraw/zinc/34/11/17/498341117.db2.gz IUYALRBLIOMUBP-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO N#Cc1ccc2nc(N3CCC[N@H+](Cc4noc(C5CC5)n4)CC3)ccc2c1 ZINC000301970256 498350468 /nfs/dbraw/zinc/35/04/68/498350468.db2.gz DESPVPPZLZYRIN-UHFFFAOYSA-N 1 2 374.448 3.079 20 30 FGEDLO N#Cc1ccc2nc(N3CCC[N@@H+](Cc4noc(C5CC5)n4)CC3)ccc2c1 ZINC000301970256 498350474 /nfs/dbraw/zinc/35/04/74/498350474.db2.gz DESPVPPZLZYRIN-UHFFFAOYSA-N 1 2 374.448 3.079 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000365244815 498371339 /nfs/dbraw/zinc/37/13/39/498371339.db2.gz UHGWHWVWNKZZNY-JEOXALJRSA-N 1 2 371.799 3.030 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000365244815 498371346 /nfs/dbraw/zinc/37/13/46/498371346.db2.gz UHGWHWVWNKZZNY-JEOXALJRSA-N 1 2 371.799 3.030 20 30 FGEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000572663888 506023568 /nfs/dbraw/zinc/02/35/68/506023568.db2.gz CAGXSUSYYDBIFT-HSZRJFAPSA-N 1 2 367.452 3.268 20 30 FGEDLO COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263096 498378785 /nfs/dbraw/zinc/37/87/85/498378785.db2.gz UMDQKUNVKWLIHZ-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(Cl)c(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263096 498378793 /nfs/dbraw/zinc/37/87/93/498378793.db2.gz UMDQKUNVKWLIHZ-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000293446928 498388300 /nfs/dbraw/zinc/38/83/00/498388300.db2.gz PEKXXZSJAXNNGX-ZDUSSCGKSA-N 1 2 366.918 3.408 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282164280 498407372 /nfs/dbraw/zinc/40/73/72/498407372.db2.gz CILQEFNEZJSBPH-LJQANCHMSA-N 1 2 374.448 3.328 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877345 498484132 /nfs/dbraw/zinc/48/41/32/498484132.db2.gz HWIUQCHRKRRHML-YESZJQIVSA-N 1 2 366.408 3.176 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000331877345 498484134 /nfs/dbraw/zinc/48/41/34/498484134.db2.gz HWIUQCHRKRRHML-YESZJQIVSA-N 1 2 366.408 3.176 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cn2ccccc2[nH+]1 ZINC000578897101 506046923 /nfs/dbraw/zinc/04/69/23/506046923.db2.gz OYMGRQMGBSLMLU-UHFFFAOYSA-N 1 2 353.307 3.205 20 30 FGEDLO C=CCCCCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000572778582 506049736 /nfs/dbraw/zinc/04/97/36/506049736.db2.gz MVITWRHVEHFSKE-UHFFFAOYSA-N 1 2 372.513 3.135 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)sc1C ZINC000282510859 498540174 /nfs/dbraw/zinc/54/01/74/498540174.db2.gz YZNIAXPDIAANIE-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)sc1C ZINC000282510859 498540177 /nfs/dbraw/zinc/54/01/77/498540177.db2.gz YZNIAXPDIAANIE-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098883 498588497 /nfs/dbraw/zinc/58/84/97/498588497.db2.gz MHCHACGYYCBOQZ-MNOVXSKESA-N 1 2 350.216 3.408 20 30 FGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098883 498588503 /nfs/dbraw/zinc/58/85/03/498588503.db2.gz MHCHACGYYCBOQZ-MNOVXSKESA-N 1 2 350.216 3.408 20 30 FGEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000302877973 498612602 /nfs/dbraw/zinc/61/26/02/498612602.db2.gz GWZYBKQPEPIJSP-UHFFFAOYSA-N 1 2 359.458 3.362 20 30 FGEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@H](C#N)C1 ZINC000294233353 498627760 /nfs/dbraw/zinc/62/77/60/498627760.db2.gz SXLRXOZYIWTWOP-SWLSCSKDSA-N 1 2 360.259 3.154 20 30 FGEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@H](C#N)C1 ZINC000294233353 498627766 /nfs/dbraw/zinc/62/77/66/498627766.db2.gz SXLRXOZYIWTWOP-SWLSCSKDSA-N 1 2 360.259 3.154 20 30 FGEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCO2 ZINC000303448672 498675337 /nfs/dbraw/zinc/67/53/37/498675337.db2.gz HTRWPQYXQRRQQW-UHFFFAOYSA-N 1 2 363.417 3.188 20 30 FGEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc2c(c1)OCO2 ZINC000303448672 498675342 /nfs/dbraw/zinc/67/53/42/498675342.db2.gz HTRWPQYXQRRQQW-UHFFFAOYSA-N 1 2 363.417 3.188 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1Cl ZINC000332462218 498695103 /nfs/dbraw/zinc/69/51/03/498695103.db2.gz QLWPKRZOQILDAB-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO CS[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332534797 498716828 /nfs/dbraw/zinc/71/68/28/498716828.db2.gz HZMYEZLQEFQBLI-OALUTQOASA-N 1 2 372.538 3.060 20 30 FGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000298478120 498785476 /nfs/dbraw/zinc/78/54/76/498785476.db2.gz SSYVIRWRFAKUCN-UHFFFAOYSA-N 1 2 357.255 3.490 20 30 FGEDLO C#CCC(CC#C)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000287575952 498802141 /nfs/dbraw/zinc/80/21/41/498802141.db2.gz WAUBJGIBUZMLRU-UHFFFAOYSA-N 1 2 351.475 3.376 20 30 FGEDLO C#CCC(CC#C)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000287575952 498802137 /nfs/dbraw/zinc/80/21/37/498802137.db2.gz WAUBJGIBUZMLRU-UHFFFAOYSA-N 1 2 351.475 3.376 20 30 FGEDLO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328619611 498877831 /nfs/dbraw/zinc/87/78/31/498877831.db2.gz WBSHWQAITKSUGC-JJDSTIRJSA-N 1 2 372.513 3.029 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC(OC3CCCC3)CC1)CCC2 ZINC000328640041 498885207 /nfs/dbraw/zinc/88/52/07/498885207.db2.gz CIOLSYURNDUOKM-INIZCTEOSA-N 1 2 360.502 3.407 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC(OC3CCCC3)CC1)CCC2 ZINC000328640042 498885589 /nfs/dbraw/zinc/88/55/89/498885589.db2.gz CIOLSYURNDUOKM-MRXNPFEDSA-N 1 2 360.502 3.407 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3ccsc3)C1)CCC2 ZINC000328645278 498888310 /nfs/dbraw/zinc/88/83/10/498888310.db2.gz GHVDTQNUCSUAHL-GOEBONIOSA-N 1 2 360.483 3.118 20 30 FGEDLO Cc1noc([C@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000328690577 498903828 /nfs/dbraw/zinc/90/38/28/498903828.db2.gz QVWSYZSJOMGVHP-MJBXVCDLSA-N 1 2 373.457 3.074 20 30 FGEDLO Cc1noc([C@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000328690577 498903833 /nfs/dbraw/zinc/90/38/33/498903833.db2.gz QVWSYZSJOMGVHP-MJBXVCDLSA-N 1 2 373.457 3.074 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000328717030 498913227 /nfs/dbraw/zinc/91/32/27/498913227.db2.gz UISZKVXEENRNEK-LPHOPBHVSA-N 1 2 369.465 3.053 20 30 FGEDLO C=C(C)Cn1c(N2CC[NH+]([C@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC000328738665 498921473 /nfs/dbraw/zinc/92/14/73/498921473.db2.gz HNINXANICNWBHY-OAHLLOKOSA-N 1 2 374.558 3.491 20 30 FGEDLO CC[C@H](C(=O)NCc1cccc2c1OCCCO2)[N@@H+]1CCO[C@H](CC)C1 ZINC000328765730 498931628 /nfs/dbraw/zinc/93/16/28/498931628.db2.gz GXKBPMMHIOWWKI-IAGOWNOFSA-N 1 2 362.470 3.194 20 30 FGEDLO CC[C@H](C(=O)NCc1cccc2c1OCCCO2)[N@H+]1CCO[C@H](CC)C1 ZINC000328765730 498931633 /nfs/dbraw/zinc/93/16/33/498931633.db2.gz GXKBPMMHIOWWKI-IAGOWNOFSA-N 1 2 362.470 3.194 20 30 FGEDLO CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000299001250 498937945 /nfs/dbraw/zinc/93/79/45/498937945.db2.gz NCOZAYQBIIMIMR-UHFFFAOYSA-N 1 2 371.485 3.415 20 30 FGEDLO CC[C@@H]1COCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328831678 498953794 /nfs/dbraw/zinc/95/37/94/498953794.db2.gz VAWQEYFTARXRGJ-MRXNPFEDSA-N 1 2 352.438 3.258 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000288152554 498955163 /nfs/dbraw/zinc/95/51/63/498955163.db2.gz MIVMPVMZXXYGLL-RLLQIKCJSA-N 1 2 350.466 3.110 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328836434 498955481 /nfs/dbraw/zinc/95/54/81/498955481.db2.gz MSHPPLGXGVRELJ-KKUMJFAQSA-N 1 2 368.840 3.138 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328836434 498955486 /nfs/dbraw/zinc/95/54/86/498955486.db2.gz MSHPPLGXGVRELJ-KKUMJFAQSA-N 1 2 368.840 3.138 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328840630 498957151 /nfs/dbraw/zinc/95/71/51/498957151.db2.gz OIFMDSWXSXQGSF-UAGQMJEPSA-N 1 2 374.872 3.339 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328841298 498958231 /nfs/dbraw/zinc/95/82/31/498958231.db2.gz OQKWXSCOEAJNRQ-GOSISDBHSA-N 1 2 354.454 3.035 20 30 FGEDLO C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1CO ZINC000328860474 498963852 /nfs/dbraw/zinc/96/38/52/498963852.db2.gz YYGXCPYHAWPUPF-DNVCBOLYSA-N 1 2 366.465 3.240 20 30 FGEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CCc2ccccc2C1 ZINC000328886632 498974053 /nfs/dbraw/zinc/97/40/53/498974053.db2.gz ZTAMBVWYIJHDHR-IBGZPJMESA-N 1 2 350.466 3.243 20 30 FGEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299146258 498977566 /nfs/dbraw/zinc/97/75/66/498977566.db2.gz WBSDZOZRSHCDGV-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299146258 498977574 /nfs/dbraw/zinc/97/75/74/498977574.db2.gz WBSDZOZRSHCDGV-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1OC ZINC000295346304 498986992 /nfs/dbraw/zinc/98/69/92/498986992.db2.gz BKGJRXRTCRXDFV-QGZVFWFLSA-N 1 2 355.438 3.217 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3scnc3C3CC3)CC2)cc1 ZINC000328945143 498994109 /nfs/dbraw/zinc/99/41/09/498994109.db2.gz UYTYSBPCLIOEBF-UHFFFAOYSA-N 1 2 367.478 3.255 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363797925 498998497 /nfs/dbraw/zinc/99/84/97/498998497.db2.gz WHYVBTFHSFVQQB-NSHDSACASA-N 1 2 369.475 3.428 20 30 FGEDLO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329046411 499025763 /nfs/dbraw/zinc/02/57/63/499025763.db2.gz JPKUMTBYAGWNGX-CLWJZODNSA-N 1 2 360.502 3.080 20 30 FGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329062083 499030156 /nfs/dbraw/zinc/03/01/56/499030156.db2.gz ZLIVXNKWAXHXBP-QGTPRVQTSA-N 1 2 358.486 3.306 20 30 FGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329062083 499030164 /nfs/dbraw/zinc/03/01/64/499030164.db2.gz ZLIVXNKWAXHXBP-QGTPRVQTSA-N 1 2 358.486 3.306 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000366681710 499031279 /nfs/dbraw/zinc/03/12/79/499031279.db2.gz PIQODTFFARMCME-UHFFFAOYSA-N 1 2 356.429 3.307 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4ccsc4)CC3)CC2)c1 ZINC000582078239 506128075 /nfs/dbraw/zinc/12/80/75/506128075.db2.gz LEPAHRPIVWKMMV-UHFFFAOYSA-N 1 2 369.465 3.135 20 30 FGEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)C(=O)Nc3cccc(C)c3)CCO2)n1 ZINC000329147581 499055392 /nfs/dbraw/zinc/05/53/92/499055392.db2.gz PBZPLTDQDMWEBM-IEBWSBKVSA-N 1 2 356.470 3.186 20 30 FGEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3cccc(C)c3)CCO2)n1 ZINC000329147581 499055396 /nfs/dbraw/zinc/05/53/96/499055396.db2.gz PBZPLTDQDMWEBM-IEBWSBKVSA-N 1 2 356.470 3.186 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000329164012 499060151 /nfs/dbraw/zinc/06/01/51/499060151.db2.gz GTSRAEGUJDKYFJ-CYBMUJFWSA-N 1 2 361.442 3.178 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000329164012 499060157 /nfs/dbraw/zinc/06/01/57/499060157.db2.gz GTSRAEGUJDKYFJ-CYBMUJFWSA-N 1 2 361.442 3.178 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@]3(C)CCCOC3)n2)C1 ZINC000329162905 499060261 /nfs/dbraw/zinc/06/02/61/499060261.db2.gz ZXZAGGHOMTXRHS-CXAGYDPISA-N 1 2 352.504 3.079 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@]3(C)CCCOC3)n2)C1 ZINC000329162905 499060264 /nfs/dbraw/zinc/06/02/64/499060264.db2.gz ZXZAGGHOMTXRHS-CXAGYDPISA-N 1 2 352.504 3.079 20 30 FGEDLO COc1ccccc1NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329268484 499087496 /nfs/dbraw/zinc/08/74/96/499087496.db2.gz GPZJMWDOOLQVMT-UHFFFAOYSA-N 1 2 373.497 3.398 20 30 FGEDLO COc1ccccc1NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329268484 499087499 /nfs/dbraw/zinc/08/74/99/499087499.db2.gz GPZJMWDOOLQVMT-UHFFFAOYSA-N 1 2 373.497 3.398 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329311487 499095944 /nfs/dbraw/zinc/09/59/44/499095944.db2.gz RCTUCRCFZXCRGF-QXIYBXNSSA-N 1 2 361.486 3.079 20 30 FGEDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329311487 499095946 /nfs/dbraw/zinc/09/59/46/499095946.db2.gz RCTUCRCFZXCRGF-QXIYBXNSSA-N 1 2 361.486 3.079 20 30 FGEDLO COC1(C)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000329311747 499096220 /nfs/dbraw/zinc/09/62/20/499096220.db2.gz PTVNJAVSKGDKRX-UHFFFAOYSA-N 1 2 352.504 3.175 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)NCc2cn3ccccc3[nH+]2)C12CCCCC2 ZINC000329326256 499099527 /nfs/dbraw/zinc/09/95/27/499099527.db2.gz WPBHSGHXYZZRTL-DLBZAZTESA-N 1 2 356.470 3.466 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)CCC2 ZINC000329329691 499100802 /nfs/dbraw/zinc/10/08/02/499100802.db2.gz LFASHMQRWBISIW-WRNCNIFXSA-N 1 2 374.529 3.244 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC(=O)N1 ZINC000329355963 499107037 /nfs/dbraw/zinc/10/70/37/499107037.db2.gz VZWAOAMLQSEZMK-HUUCEWRRSA-N 1 2 372.469 3.451 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000329368517 499110391 /nfs/dbraw/zinc/11/03/91/499110391.db2.gz HXXOXYSJJLCKLR-ZTFGCOKTSA-N 1 2 358.486 3.471 20 30 FGEDLO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329405928 499115774 /nfs/dbraw/zinc/11/57/74/499115774.db2.gz BZASAOVFFKAPHB-ATLSCFEFSA-N 1 2 358.486 3.017 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1)c1ccccc1 ZINC000329403217 499116160 /nfs/dbraw/zinc/11/61/60/499116160.db2.gz CBBQIISPQJZFKD-FQEVSTJZSA-N 1 2 355.482 3.214 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1)c1ccccc1 ZINC000329403217 499116164 /nfs/dbraw/zinc/11/61/64/499116164.db2.gz CBBQIISPQJZFKD-FQEVSTJZSA-N 1 2 355.482 3.214 20 30 FGEDLO CC(C)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccncc2)no1 ZINC000366922734 499116668 /nfs/dbraw/zinc/11/66/68/499116668.db2.gz BMJMPBWYZRJDKP-GOSISDBHSA-N 1 2 373.420 3.138 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C)[C@@H]3C)n2)C1 ZINC000329429668 499120867 /nfs/dbraw/zinc/12/08/67/499120867.db2.gz JWRUWZGRBGGHTH-RDBSUJKOSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C)[C@@H]3C)n2)C1 ZINC000329429668 499120870 /nfs/dbraw/zinc/12/08/70/499120870.db2.gz JWRUWZGRBGGHTH-RDBSUJKOSA-N 1 2 352.504 3.030 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000372537287 499141826 /nfs/dbraw/zinc/14/18/26/499141826.db2.gz HWWBWHIAAVUJQU-WBVHZDCISA-N 1 2 363.506 3.119 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000372537287 499141828 /nfs/dbraw/zinc/14/18/28/499141828.db2.gz HWWBWHIAAVUJQU-WBVHZDCISA-N 1 2 363.506 3.119 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)sc1C ZINC000370293101 499206608 /nfs/dbraw/zinc/20/66/08/499206608.db2.gz CAYCICDKDRCQFF-CQSZACIVSA-N 1 2 369.494 3.039 20 30 FGEDLO Cn1c(Cl)cnc1C[N@@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000371031154 499281953 /nfs/dbraw/zinc/28/19/53/499281953.db2.gz MPASXZVTFJOOEJ-UHFFFAOYSA-N 1 2 364.280 3.311 20 30 FGEDLO Cn1c(Cl)cnc1C[N@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000371031154 499281954 /nfs/dbraw/zinc/28/19/54/499281954.db2.gz MPASXZVTFJOOEJ-UHFFFAOYSA-N 1 2 364.280 3.311 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000368591300 499311035 /nfs/dbraw/zinc/31/10/35/499311035.db2.gz GSLFVJPJDAVUNS-ZOCIIQOWSA-N 1 2 366.465 3.130 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368797288 499333629 /nfs/dbraw/zinc/33/36/29/499333629.db2.gz BBADIRGBKKURLJ-MRXNPFEDSA-N 1 2 359.495 3.132 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368797288 499333630 /nfs/dbraw/zinc/33/36/30/499333630.db2.gz BBADIRGBKKURLJ-MRXNPFEDSA-N 1 2 359.495 3.132 20 30 FGEDLO Cc1ncsc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000372336175 499422204 /nfs/dbraw/zinc/42/22/04/499422204.db2.gz DRBLNPSRJAPFBN-UHFFFAOYSA-N 1 2 374.897 3.371 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000372455849 499436866 /nfs/dbraw/zinc/43/68/66/499436866.db2.gz TVCVPJTXAYVNGT-ZWKOTPCHSA-N 1 2 368.437 3.050 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C3CC3)no2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000372455849 499436868 /nfs/dbraw/zinc/43/68/68/499436868.db2.gz TVCVPJTXAYVNGT-ZWKOTPCHSA-N 1 2 368.437 3.050 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000378311178 499500686 /nfs/dbraw/zinc/50/06/86/499500686.db2.gz LJIHZSPRVLYZNJ-IBGZPJMESA-N 1 2 354.381 3.057 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1F ZINC000378311178 499500687 /nfs/dbraw/zinc/50/06/87/499500687.db2.gz LJIHZSPRVLYZNJ-IBGZPJMESA-N 1 2 354.381 3.057 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)c1C ZINC000378463257 499520053 /nfs/dbraw/zinc/52/00/53/499520053.db2.gz PSNLPWIZAUAHKW-LJQANCHMSA-N 1 2 365.481 3.121 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000376620504 499623612 /nfs/dbraw/zinc/62/36/12/499623612.db2.gz FPCNVSHACYWCLU-GFCCVEGCSA-N 1 2 374.242 3.455 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cscc3Br)CC2)c1 ZINC000573248384 506152561 /nfs/dbraw/zinc/15/25/61/506152561.db2.gz PUODUDZGFWKPCN-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411136063 499701918 /nfs/dbraw/zinc/70/19/18/499701918.db2.gz OFQRCUPYMHYOBI-CQSZACIVSA-N 1 2 364.902 3.237 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000411136063 499701919 /nfs/dbraw/zinc/70/19/19/499701919.db2.gz OFQRCUPYMHYOBI-CQSZACIVSA-N 1 2 364.902 3.237 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c(F)c1 ZINC000377627255 499712716 /nfs/dbraw/zinc/71/27/16/499712716.db2.gz UHLQNKDPYLXRLA-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c(F)c1 ZINC000377627255 499712718 /nfs/dbraw/zinc/71/27/18/499712718.db2.gz UHLQNKDPYLXRLA-MRXNPFEDSA-N 1 2 364.384 3.265 20 30 FGEDLO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000378098738 499758827 /nfs/dbraw/zinc/75/88/27/499758827.db2.gz IOZDDKURLNOJHQ-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC000414129118 499763078 /nfs/dbraw/zinc/76/30/78/499763078.db2.gz UJMVLEXTXFGRFZ-NSHDSACASA-N 1 2 354.237 3.127 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC000414129118 499763080 /nfs/dbraw/zinc/76/30/80/499763080.db2.gz UJMVLEXTXFGRFZ-NSHDSACASA-N 1 2 354.237 3.127 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(Br)c2Cl)C1=O ZINC000411678322 499776589 /nfs/dbraw/zinc/77/65/89/499776589.db2.gz UWAYIKAJWKVPNH-ZDUSSCGKSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2Cl)C1=O ZINC000411678322 499776590 /nfs/dbraw/zinc/77/65/90/499776590.db2.gz UWAYIKAJWKVPNH-ZDUSSCGKSA-N 1 2 357.679 3.321 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429211878 500024094 /nfs/dbraw/zinc/02/40/94/500024094.db2.gz YZVFMEOMGKNDHD-KUHUBIRLSA-N 1 2 362.905 3.357 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429211876 500024501 /nfs/dbraw/zinc/02/45/01/500024501.db2.gz YZVFMEOMGKNDHD-IFXJQAMLSA-N 1 2 362.905 3.357 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C#N)c[nH+]1 ZINC000425217691 500046045 /nfs/dbraw/zinc/04/60/45/500046045.db2.gz BWSGCOUIQMNKSX-UHFFFAOYSA-N 1 2 358.804 3.017 20 30 FGEDLO N#Cc1cccc2c1CCN2C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000421651225 500106634 /nfs/dbraw/zinc/10/66/34/500106634.db2.gz JKJDAMTVALYGDC-FQEVSTJZSA-N 1 2 363.486 3.237 20 30 FGEDLO C=CCC1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CCOCC1 ZINC000425508216 500127738 /nfs/dbraw/zinc/12/77/38/500127738.db2.gz INIYQQLSJGUZPK-UHFFFAOYSA-N 1 2 358.482 3.139 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000582296801 506180059 /nfs/dbraw/zinc/18/00/59/506180059.db2.gz XEUMIFYBMLPKGL-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000582296801 506180064 /nfs/dbraw/zinc/18/00/64/506180064.db2.gz XEUMIFYBMLPKGL-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425542951 500139279 /nfs/dbraw/zinc/13/92/79/500139279.db2.gz YYBFFXYZIRLFRZ-CYBMUJFWSA-N 1 2 363.508 3.063 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425542951 500139282 /nfs/dbraw/zinc/13/92/82/500139282.db2.gz YYBFFXYZIRLFRZ-CYBMUJFWSA-N 1 2 363.508 3.063 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000430254207 500215598 /nfs/dbraw/zinc/21/55/98/500215598.db2.gz GMIPYOHGZKKIJM-LPMFXHHGSA-N 1 2 366.408 3.318 20 30 FGEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O2 ZINC000430254207 500215599 /nfs/dbraw/zinc/21/55/99/500215599.db2.gz GMIPYOHGZKKIJM-LPMFXHHGSA-N 1 2 366.408 3.318 20 30 FGEDLO N#CCC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000431198501 500348913 /nfs/dbraw/zinc/34/89/13/500348913.db2.gz UDXVEHYRZGLJBT-UHFFFAOYSA-N 1 2 371.872 3.442 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000419607881 500383915 /nfs/dbraw/zinc/38/39/15/500383915.db2.gz BPHQCSMZZRLMMK-HXUWFJFHSA-N 1 2 364.449 3.056 20 30 FGEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000428355781 500499612 /nfs/dbraw/zinc/49/96/12/500499612.db2.gz GXINQGUGNDINDO-GOSISDBHSA-N 1 2 372.428 3.486 20 30 FGEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420924631 500532006 /nfs/dbraw/zinc/53/20/06/500532006.db2.gz KGKOPWFDGXXJNG-OCCSQVGLSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420924631 500532007 /nfs/dbraw/zinc/53/20/07/500532007.db2.gz KGKOPWFDGXXJNG-OCCSQVGLSA-N 1 2 363.483 3.000 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000428692280 500544401 /nfs/dbraw/zinc/54/44/01/500544401.db2.gz WWPQCRQPTVKFTL-UHFFFAOYSA-N 1 2 354.458 3.311 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421021703 500556958 /nfs/dbraw/zinc/55/69/58/500556958.db2.gz PODFSPZTXCGHHO-RDTXWAMCSA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)c1C#N ZINC000421021703 500556960 /nfs/dbraw/zinc/55/69/60/500556960.db2.gz PODFSPZTXCGHHO-RDTXWAMCSA-N 1 2 372.513 3.266 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000573508560 506205715 /nfs/dbraw/zinc/20/57/15/506205715.db2.gz BFOMOYBJRNNFFF-UHFFFAOYSA-N 1 2 371.828 3.024 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1F ZINC000437104574 500603070 /nfs/dbraw/zinc/60/30/70/500603070.db2.gz GKNVGHORUDYVBF-NLWGTHIKSA-N 1 2 354.425 3.337 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000437104574 500603072 /nfs/dbraw/zinc/60/30/72/500603072.db2.gz GKNVGHORUDYVBF-NLWGTHIKSA-N 1 2 354.425 3.337 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)c(OC(F)F)c1 ZINC000437145094 500607449 /nfs/dbraw/zinc/60/74/49/500607449.db2.gz TVSFJWKSHKDPBT-UHFFFAOYSA-N 1 2 365.424 3.417 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)c(OC(F)F)c1 ZINC000437145094 500607451 /nfs/dbraw/zinc/60/74/51/500607451.db2.gz TVSFJWKSHKDPBT-UHFFFAOYSA-N 1 2 365.424 3.417 20 30 FGEDLO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893334 500686969 /nfs/dbraw/zinc/68/69/69/500686969.db2.gz ZWWIZIAKQYNEJR-FGZHOGPDSA-N 1 2 374.488 3.042 20 30 FGEDLO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893334 500686972 /nfs/dbraw/zinc/68/69/72/500686972.db2.gz ZWWIZIAKQYNEJR-FGZHOGPDSA-N 1 2 374.488 3.042 20 30 FGEDLO C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc[nH+]c(N)c1 ZINC000443486186 500729729 /nfs/dbraw/zinc/72/97/29/500729729.db2.gz QBNRWFVUXRMDCK-UHFFFAOYSA-N 1 2 367.478 3.451 20 30 FGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448606094 500783481 /nfs/dbraw/zinc/78/34/81/500783481.db2.gz SVIDHJTWAWANCZ-ORAYPTAESA-N 1 2 352.463 3.190 20 30 FGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448606094 500783482 /nfs/dbraw/zinc/78/34/82/500783482.db2.gz SVIDHJTWAWANCZ-ORAYPTAESA-N 1 2 352.463 3.190 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000448730379 500816770 /nfs/dbraw/zinc/81/67/70/500816770.db2.gz WZRCGDIZGJUTDZ-ZIAGYGMSSA-N 1 2 352.438 3.056 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)nc1 ZINC000434284795 500821215 /nfs/dbraw/zinc/82/12/15/500821215.db2.gz ZJIXIZNKMIRWTD-UHFFFAOYSA-N 1 2 373.416 3.488 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)nc1 ZINC000434284795 500821217 /nfs/dbraw/zinc/82/12/17/500821217.db2.gz ZJIXIZNKMIRWTD-UHFFFAOYSA-N 1 2 373.416 3.488 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000435048726 500927353 /nfs/dbraw/zinc/92/73/53/500927353.db2.gz BVJGZFUECCSAEC-YLJYHZDGSA-N 1 2 350.418 3.270 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000435048726 500927355 /nfs/dbraw/zinc/92/73/55/500927355.db2.gz BVJGZFUECCSAEC-YLJYHZDGSA-N 1 2 350.418 3.270 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435068651 500930258 /nfs/dbraw/zinc/93/02/58/500930258.db2.gz DEVGWOQDERGFEJ-UHFFFAOYSA-N 1 2 370.456 3.493 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000435889119 501042141 /nfs/dbraw/zinc/04/21/41/501042141.db2.gz RHQQGTWQSANPCY-IFXJQAMLSA-N 1 2 360.454 3.270 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCCC1 ZINC000449637210 501047447 /nfs/dbraw/zinc/04/74/47/501047447.db2.gz YTWLXYONAPZNLJ-IRXDYDNUSA-N 1 2 357.498 3.448 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000441061175 501082264 /nfs/dbraw/zinc/08/22/64/501082264.db2.gz FVJNUPHTJNVJAZ-UHFFFAOYSA-N 1 2 355.482 3.176 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000441061175 501082266 /nfs/dbraw/zinc/08/22/66/501082266.db2.gz FVJNUPHTJNVJAZ-UHFFFAOYSA-N 1 2 355.482 3.176 20 30 FGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000441135484 501093341 /nfs/dbraw/zinc/09/33/41/501093341.db2.gz TVDPYLQHJBSOLQ-HXUWFJFHSA-N 1 2 359.429 3.473 20 30 FGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000441135484 501093343 /nfs/dbraw/zinc/09/33/43/501093343.db2.gz TVDPYLQHJBSOLQ-HXUWFJFHSA-N 1 2 359.429 3.473 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450357830 501099571 /nfs/dbraw/zinc/09/95/71/501099571.db2.gz NYNRELMIXQCWJB-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO CN(C)c1nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]c2ccccc21 ZINC000450406381 501113584 /nfs/dbraw/zinc/11/35/84/501113584.db2.gz GBBZHEDVNAIFDZ-LJQANCHMSA-N 1 2 359.433 3.145 20 30 FGEDLO CCc1cnc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)s1 ZINC000441338396 501122891 /nfs/dbraw/zinc/12/28/91/501122891.db2.gz DBGNUBMZYGYFPT-UHFFFAOYSA-N 1 2 351.479 3.152 20 30 FGEDLO N#Cc1c(Cl)cccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000450500242 501137549 /nfs/dbraw/zinc/13/75/49/501137549.db2.gz MRUQRRNFJLZUME-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO N#Cc1c(Cl)cccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000450500242 501137552 /nfs/dbraw/zinc/13/75/52/501137552.db2.gz MRUQRRNFJLZUME-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450609361 501165762 /nfs/dbraw/zinc/16/57/62/501165762.db2.gz DLBRCDBSZNCXPB-VBKZILBWSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450609361 501165764 /nfs/dbraw/zinc/16/57/64/501165764.db2.gz DLBRCDBSZNCXPB-VBKZILBWSA-N 1 2 351.837 3.494 20 30 FGEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609942 501166511 /nfs/dbraw/zinc/16/65/11/501166511.db2.gz FQGIJJHQQAJHPS-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609942 501166512 /nfs/dbraw/zinc/16/65/12/501166512.db2.gz FQGIJJHQQAJHPS-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000602644885 506242463 /nfs/dbraw/zinc/24/24/63/506242463.db2.gz MPRLWMKCYIAOAA-CVEARBPZSA-N 1 2 354.454 3.410 20 30 FGEDLO Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)[nH+]1 ZINC000450142639 501192512 /nfs/dbraw/zinc/19/25/12/501192512.db2.gz CWMOZIVXTHONTQ-AWEZNQCLSA-N 1 2 368.824 3.215 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000450221589 501212979 /nfs/dbraw/zinc/21/29/79/501212979.db2.gz UJGSNGZXOPVQBR-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCCCC1 ZINC000451443820 501294284 /nfs/dbraw/zinc/29/42/84/501294284.db2.gz FNSZKEWOEMDTIX-FQEVSTJZSA-N 1 2 364.530 3.435 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457761522 501303600 /nfs/dbraw/zinc/30/36/00/501303600.db2.gz AXQILTPWXFCPQU-UHFFFAOYSA-N 1 2 359.433 3.397 20 30 FGEDLO CN(C)c1cc(NC(=O)N2CCC(C)(C#N)CC2)[nH+]cc1Br ZINC000455871746 501403869 /nfs/dbraw/zinc/40/38/69/501403869.db2.gz UUTZPPSILPWLMU-UHFFFAOYSA-N 1 2 366.263 3.068 20 30 FGEDLO COC(=O)[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000451938147 501404498 /nfs/dbraw/zinc/40/44/98/501404498.db2.gz IFRONBMPJBHXBD-HXUWFJFHSA-N 1 2 364.445 3.154 20 30 FGEDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC000452041172 501423837 /nfs/dbraw/zinc/42/38/37/501423837.db2.gz LQEUCIGLSFZUEI-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455989462 501432984 /nfs/dbraw/zinc/43/29/84/501432984.db2.gz QJXSUXYNCZBCOQ-LJQANCHMSA-N 1 2 364.493 3.342 20 30 FGEDLO Cc1nc(SCC(=O)Nc2c[nH+]c3n2CCCC3)c(C#N)c(C)c1C ZINC000452749595 501555837 /nfs/dbraw/zinc/55/58/37/501555837.db2.gz CJHXTXBZAJKLGH-UHFFFAOYSA-N 1 2 355.467 3.142 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000459364764 501639730 /nfs/dbraw/zinc/63/97/30/501639730.db2.gz AKIZRLURTNPWKF-HXUWFJFHSA-N 1 2 351.406 3.240 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000459364764 501639732 /nfs/dbraw/zinc/63/97/32/501639732.db2.gz AKIZRLURTNPWKF-HXUWFJFHSA-N 1 2 351.406 3.240 20 30 FGEDLO Cc1cccc(CC2(O)CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000459434800 501653653 /nfs/dbraw/zinc/65/36/53/501653653.db2.gz CXDRIACPTCGSIR-UHFFFAOYSA-N 1 2 365.433 3.345 20 30 FGEDLO COc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1OC(F)F ZINC000459606731 501685721 /nfs/dbraw/zinc/68/57/21/501685721.db2.gz FNVMRDKDQLYCTD-UHFFFAOYSA-N 1 2 360.360 3.431 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000457530566 501717522 /nfs/dbraw/zinc/71/75/22/501717522.db2.gz QIKXSRQQHCCANT-PWIZWCRZSA-N 1 2 360.473 3.402 20 30 FGEDLO Cc1[nH]c2ccc(Cn3c(C)c(Br)cc(C#N)c3=O)cc2[nH+]1 ZINC000467207405 501737538 /nfs/dbraw/zinc/73/75/38/501737538.db2.gz QSNUQURGHICNFF-UHFFFAOYSA-N 1 2 357.211 3.024 20 30 FGEDLO Cc1[nH]c2cc(Cn3c(C)c(Br)cc(C#N)c3=O)ccc2[nH+]1 ZINC000467207405 501737541 /nfs/dbraw/zinc/73/75/41/501737541.db2.gz QSNUQURGHICNFF-UHFFFAOYSA-N 1 2 357.211 3.024 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000463582331 501767645 /nfs/dbraw/zinc/76/76/45/501767645.db2.gz IGXRMYDMFMDNRJ-OAHLLOKOSA-N 1 2 355.438 3.072 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000485472948 501830708 /nfs/dbraw/zinc/83/07/08/501830708.db2.gz FBGFBUYGPCPIMC-UHFFFAOYSA-N 1 2 354.479 3.026 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000470915175 501854817 /nfs/dbraw/zinc/85/48/17/501854817.db2.gz DGDBYMJOPOBXFA-JOCHJYFZSA-N 1 2 364.489 3.381 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1ccccc1 ZINC000470915175 501854820 /nfs/dbraw/zinc/85/48/20/501854820.db2.gz DGDBYMJOPOBXFA-JOCHJYFZSA-N 1 2 364.489 3.381 20 30 FGEDLO CCc1nnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C#N)c1CC ZINC000467736068 501856722 /nfs/dbraw/zinc/85/67/22/501856722.db2.gz UFFSUXPZDHIPBD-OKILXGFUSA-N 1 2 366.469 3.225 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000470991649 501885048 /nfs/dbraw/zinc/88/50/48/501885048.db2.gz DWGCJEVBHLHCGH-GOSISDBHSA-N 1 2 356.857 3.126 20 30 FGEDLO COC(=O)c1coc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470999113 501886661 /nfs/dbraw/zinc/88/66/61/501886661.db2.gz ZLOYXQGEPCNNHD-GOSISDBHSA-N 1 2 373.840 3.102 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccnn1C ZINC000471075672 501911427 /nfs/dbraw/zinc/91/14/27/501911427.db2.gz QRCWIIFTAYJBEO-CYBMUJFWSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccnn1C ZINC000471075672 501911435 /nfs/dbraw/zinc/91/14/35/501911435.db2.gz QRCWIIFTAYJBEO-CYBMUJFWSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464280578 501942891 /nfs/dbraw/zinc/94/28/91/501942891.db2.gz ZILQYACUNLAVLU-QGZVFWFLSA-N 1 2 374.444 3.229 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485806097 501945472 /nfs/dbraw/zinc/94/54/72/501945472.db2.gz OAEJXWYEGCXWAC-YLJYHZDGSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000485806097 501945479 /nfs/dbraw/zinc/94/54/79/501945479.db2.gz OAEJXWYEGCXWAC-YLJYHZDGSA-N 1 2 355.482 3.049 20 30 FGEDLO N#Cc1ccncc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000485814665 501948541 /nfs/dbraw/zinc/94/85/41/501948541.db2.gz BKEWWUBFVTYMSQ-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464502962 502008480 /nfs/dbraw/zinc/00/84/80/502008480.db2.gz TWUUEPPZSSFNJV-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464502962 502008484 /nfs/dbraw/zinc/00/84/84/502008484.db2.gz TWUUEPPZSSFNJV-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468400931 502047578 /nfs/dbraw/zinc/04/75/78/502047578.db2.gz HBLWFVXBIBOMMD-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468400931 502047581 /nfs/dbraw/zinc/04/75/81/502047581.db2.gz HBLWFVXBIBOMMD-MGPUTAFESA-N 1 2 351.837 3.494 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820055 502105048 /nfs/dbraw/zinc/10/50/48/502105048.db2.gz DEFLHEOMPPGSDG-LEWJYISDSA-N 1 2 365.452 3.256 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820055 502105057 /nfs/dbraw/zinc/10/50/57/502105057.db2.gz DEFLHEOMPPGSDG-LEWJYISDSA-N 1 2 365.452 3.256 20 30 FGEDLO CC(C)(C)n1ncc2c1nc(N1CC=C(c3ccc(C#N)cc3)CC1)[nH+]c2N ZINC000596178642 506294824 /nfs/dbraw/zinc/29/48/24/506294824.db2.gz IVWPJYGECOXMKF-UHFFFAOYSA-N 1 2 373.464 3.329 20 30 FGEDLO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000464860643 502125477 /nfs/dbraw/zinc/12/54/77/502125477.db2.gz ZQZZBPQBVAUNKJ-UHFFFAOYSA-N 1 2 369.490 3.389 20 30 FGEDLO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000464860643 502125484 /nfs/dbraw/zinc/12/54/84/502125484.db2.gz ZQZZBPQBVAUNKJ-UHFFFAOYSA-N 1 2 369.490 3.389 20 30 FGEDLO CC(C)n1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475355911 502146892 /nfs/dbraw/zinc/14/68/92/502146892.db2.gz QFFQPJNIZLKIBJ-IBGZPJMESA-N 1 2 357.889 3.500 20 30 FGEDLO Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461728677 502182066 /nfs/dbraw/zinc/18/20/66/502182066.db2.gz ISLBJERDXBBYKX-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1ccccc1F ZINC000475591431 502222006 /nfs/dbraw/zinc/22/20/06/502222006.db2.gz PMBCFZAPXSPBKF-MRXNPFEDSA-N 1 2 358.323 3.143 20 30 FGEDLO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000468978841 502250201 /nfs/dbraw/zinc/25/02/01/502250201.db2.gz LRMQGZJZOSZMDO-ZJUUUORDSA-N 1 2 360.405 3.154 20 30 FGEDLO C=CC[N@H+](Cc1ccncc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000472239666 502282222 /nfs/dbraw/zinc/28/22/22/502282222.db2.gz LJQPTOHNWOJEDA-CQSZACIVSA-N 1 2 354.845 3.460 20 30 FGEDLO C=CC[N@@H+](Cc1ccncc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000472239666 502282230 /nfs/dbraw/zinc/28/22/30/502282230.db2.gz LJQPTOHNWOJEDA-CQSZACIVSA-N 1 2 354.845 3.460 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596198256 506304928 /nfs/dbraw/zinc/30/49/28/506304928.db2.gz XIJYWTJWAMTLHJ-ZDUSSCGKSA-N 1 2 357.439 3.115 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000476230743 502421651 /nfs/dbraw/zinc/42/16/51/502421651.db2.gz KLWYHEVHVDCXLR-MRXNPFEDSA-N 1 2 357.433 3.278 20 30 FGEDLO Cc1ccccc1-c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000472776074 502438277 /nfs/dbraw/zinc/43/82/77/502438277.db2.gz SGVRVCFZPFVMIH-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473161676 502531912 /nfs/dbraw/zinc/53/19/12/502531912.db2.gz NNKGSPYUPAPJQF-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473161676 502531917 /nfs/dbraw/zinc/53/19/17/502531917.db2.gz NNKGSPYUPAPJQF-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO CC(C)[C@H](CNc1c(C#N)cnc2c(F)cc(F)cc21)N1CC[NH+](C)CC1 ZINC000462920319 502626606 /nfs/dbraw/zinc/62/66/06/502626606.db2.gz XPVHVSBPIMFWCR-SFHVURJKSA-N 1 2 373.451 3.069 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000484617714 502684134 /nfs/dbraw/zinc/68/41/34/502684134.db2.gz BCKSZNUSDYGQQW-UHFFFAOYSA-N 1 2 362.458 3.212 20 30 FGEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000466802829 502684968 /nfs/dbraw/zinc/68/49/68/502684968.db2.gz QCXXZCGJMZPZHM-RDJZCZTQSA-N 1 2 355.404 3.457 20 30 FGEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000466802829 502684974 /nfs/dbraw/zinc/68/49/74/502684974.db2.gz QCXXZCGJMZPZHM-RDJZCZTQSA-N 1 2 355.404 3.457 20 30 FGEDLO C=CCn1cccc1C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000488916524 502837848 /nfs/dbraw/zinc/83/78/48/502837848.db2.gz LJCQLDMCHODXDI-KRWDZBQOSA-N 1 2 370.522 3.257 20 30 FGEDLO C=CCn1cccc1C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000488916524 502837852 /nfs/dbraw/zinc/83/78/52/502837852.db2.gz LJCQLDMCHODXDI-KRWDZBQOSA-N 1 2 370.522 3.257 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOc4ccc(F)cc4C3)C2=O)cc1 ZINC000489235921 502908038 /nfs/dbraw/zinc/90/80/38/502908038.db2.gz UTZMGTDNDNJNQM-LJQANCHMSA-N 1 2 365.408 3.087 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOc4ccc(F)cc4C3)C2=O)cc1 ZINC000489235921 502908040 /nfs/dbraw/zinc/90/80/40/502908040.db2.gz UTZMGTDNDNJNQM-LJQANCHMSA-N 1 2 365.408 3.087 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)NCc2[nH]cc[nH+]2)n(-c2ccc(C#N)cc2)n1 ZINC000501088706 502934750 /nfs/dbraw/zinc/93/47/50/502934750.db2.gz XPYDEHIJOLVDRV-UHFFFAOYSA-N 1 2 363.425 3.086 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513593978 502974727 /nfs/dbraw/zinc/97/47/27/502974727.db2.gz KIDMMKOGJIRGDU-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513593978 502974729 /nfs/dbraw/zinc/97/47/29/502974729.db2.gz KIDMMKOGJIRGDU-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513661892 502994512 /nfs/dbraw/zinc/99/45/12/502994512.db2.gz WTPXGUICYJKAHB-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513661892 502994517 /nfs/dbraw/zinc/99/45/17/502994517.db2.gz WTPXGUICYJKAHB-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)sc1C ZINC000602906973 506345742 /nfs/dbraw/zinc/34/57/42/506345742.db2.gz JMPSGBKFJZWDFV-CYBMUJFWSA-N 1 2 369.494 3.233 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000501474508 503015590 /nfs/dbraw/zinc/01/55/90/503015590.db2.gz FARXLZFDVOWFSW-CQSZACIVSA-N 1 2 351.288 3.470 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC000501474508 503015586 /nfs/dbraw/zinc/01/55/86/503015586.db2.gz FARXLZFDVOWFSW-CQSZACIVSA-N 1 2 351.288 3.470 20 30 FGEDLO N#Cc1ccnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000497771208 503037905 /nfs/dbraw/zinc/03/79/05/503037905.db2.gz IBNHZYYSCZOBBD-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000497771208 503037906 /nfs/dbraw/zinc/03/79/06/503037906.db2.gz IBNHZYYSCZOBBD-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO CCN(CC)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000506102064 503048103 /nfs/dbraw/zinc/04/81/03/503048103.db2.gz WVHWJTXYNQFCJZ-UHFFFAOYSA-N 1 2 369.538 3.179 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000506102064 503048107 /nfs/dbraw/zinc/04/81/07/503048107.db2.gz WVHWJTXYNQFCJZ-UHFFFAOYSA-N 1 2 369.538 3.179 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000510351349 503096995 /nfs/dbraw/zinc/09/69/95/503096995.db2.gz GXXDZNDNJRPHQY-SFHVURJKSA-N 1 2 354.454 3.278 20 30 FGEDLO N#Cc1ccccc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000506394954 503109078 /nfs/dbraw/zinc/10/90/78/503109078.db2.gz MJQKOPFUEKEYPN-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000506458527 503118443 /nfs/dbraw/zinc/11/84/43/503118443.db2.gz CTYKKMMKKKBFJT-UHFFFAOYSA-N 1 2 350.462 3.138 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000506477132 503123271 /nfs/dbraw/zinc/12/32/71/503123271.db2.gz MAAMNIAKTLXPTH-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1C ZINC000602924591 506354310 /nfs/dbraw/zinc/35/43/10/506354310.db2.gz GGOGGLCJTJTMBB-UHFFFAOYSA-N 1 2 359.861 3.115 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1C ZINC000602924591 506354313 /nfs/dbraw/zinc/35/43/13/506354313.db2.gz GGOGGLCJTJTMBB-UHFFFAOYSA-N 1 2 359.861 3.115 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054241 506362909 /nfs/dbraw/zinc/36/29/09/506362909.db2.gz HSPAVQQKOBTALB-LLVKDONJSA-N 1 2 355.335 3.252 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CCCCC1 ZINC000515342312 503318722 /nfs/dbraw/zinc/31/87/22/503318722.db2.gz WDPQMPHUKKLPGG-KRWDZBQOSA-N 1 2 361.436 3.314 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CCCCC1 ZINC000515342312 503318723 /nfs/dbraw/zinc/31/87/23/503318723.db2.gz WDPQMPHUKKLPGG-KRWDZBQOSA-N 1 2 361.436 3.314 20 30 FGEDLO COc1cccc([C@@H](C)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000507731487 503357838 /nfs/dbraw/zinc/35/78/38/503357838.db2.gz JKCNQGSQCPCRSG-GOSISDBHSA-N 1 2 365.477 3.324 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503332013 503390658 /nfs/dbraw/zinc/39/06/58/503390658.db2.gz XYMWVWUVMPORJW-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503332013 503390662 /nfs/dbraw/zinc/39/06/62/503390662.db2.gz XYMWVWUVMPORJW-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(CO)o1 ZINC000512221369 503490576 /nfs/dbraw/zinc/49/05/76/503490576.db2.gz XSFYWXOBCRGLLW-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(CO)o1 ZINC000512221369 503490580 /nfs/dbraw/zinc/49/05/80/503490580.db2.gz XSFYWXOBCRGLLW-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023202 503534656 /nfs/dbraw/zinc/53/46/56/503534656.db2.gz GVNSZKJQHRIFEE-GOEBONIOSA-N 1 2 363.889 3.003 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023202 503534660 /nfs/dbraw/zinc/53/46/60/503534660.db2.gz GVNSZKJQHRIFEE-GOEBONIOSA-N 1 2 363.889 3.003 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000512428457 503547705 /nfs/dbraw/zinc/54/77/05/503547705.db2.gz UTYREFATTBDJPD-SFHVURJKSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000512428457 503547710 /nfs/dbraw/zinc/54/77/10/503547710.db2.gz UTYREFATTBDJPD-SFHVURJKSA-N 1 2 370.493 3.206 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(F)(C#N)CC2)c(C)c1 ZINC000500106379 503555281 /nfs/dbraw/zinc/55/52/81/503555281.db2.gz OUTPQTUBKUMPAG-SFHVURJKSA-N 1 2 369.444 3.279 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(C)cc1)Cc1cnn(C(C)C)c1 ZINC000512506046 503572454 /nfs/dbraw/zinc/57/24/54/503572454.db2.gz GKSXOJDUZARXMY-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(C)cc1)Cc1cnn(C(C)C)c1 ZINC000512506046 503572458 /nfs/dbraw/zinc/57/24/58/503572458.db2.gz GKSXOJDUZARXMY-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000512543008 503580396 /nfs/dbraw/zinc/58/03/96/503580396.db2.gz YGZSUNFJNVWHAN-OAHLLOKOSA-N 1 2 358.408 3.005 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000512543008 503580399 /nfs/dbraw/zinc/58/03/99/503580399.db2.gz YGZSUNFJNVWHAN-OAHLLOKOSA-N 1 2 358.408 3.005 20 30 FGEDLO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654851 503604582 /nfs/dbraw/zinc/60/45/82/503604582.db2.gz PGEBSAFTVPMKEG-DKZVUGQWSA-N 1 2 367.468 3.231 20 30 FGEDLO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654851 503604587 /nfs/dbraw/zinc/60/45/87/503604587.db2.gz PGEBSAFTVPMKEG-DKZVUGQWSA-N 1 2 367.468 3.231 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527048617 503657500 /nfs/dbraw/zinc/65/75/00/503657500.db2.gz BJZNCQGVRDPFHT-GJZGRUSLSA-N 1 2 361.873 3.134 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000527048617 503657506 /nfs/dbraw/zinc/65/75/06/503657506.db2.gz BJZNCQGVRDPFHT-GJZGRUSLSA-N 1 2 361.873 3.134 20 30 FGEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccn2)CC1 ZINC000517072834 503658308 /nfs/dbraw/zinc/65/83/08/503658308.db2.gz KDFIUVPBOUGUGN-LBXVMSDZSA-N 1 2 374.448 3.141 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000540097701 503671420 /nfs/dbraw/zinc/67/14/20/503671420.db2.gz HLDUSGFPQMEFEU-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000540097701 503671424 /nfs/dbraw/zinc/67/14/24/503671424.db2.gz HLDUSGFPQMEFEU-QGZVFWFLSA-N 1 2 366.465 3.420 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000543536909 503804517 /nfs/dbraw/zinc/80/45/17/503804517.db2.gz FEIJRPZNWRJCLJ-HOCLYGCPSA-N 1 2 359.470 3.186 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000543545431 503808741 /nfs/dbraw/zinc/80/87/41/503808741.db2.gz QTZCSSBPIQEQDW-ZIAGYGMSSA-N 1 2 367.515 3.092 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1 ZINC000543548032 503808941 /nfs/dbraw/zinc/80/89/41/503808941.db2.gz SUFPFMOYMQOJCE-NEPJUHHUSA-N 1 2 359.455 3.062 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cc2n1C ZINC000530059030 503817713 /nfs/dbraw/zinc/81/77/13/503817713.db2.gz ABBLUCKVVPHDOW-UHFFFAOYSA-N 1 2 374.444 3.189 20 30 FGEDLO N#Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000537166094 503824805 /nfs/dbraw/zinc/82/48/05/503824805.db2.gz NLYPTEYWJPEURG-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)n1 ZINC000517789602 503838655 /nfs/dbraw/zinc/83/86/55/503838655.db2.gz LMEUGAWTZWGQLC-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO C[C@H](C#N)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543805256 503899982 /nfs/dbraw/zinc/89/99/82/503899982.db2.gz JLIRLPMGONIYIG-IUODEOHRSA-N 1 2 352.841 3.075 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000543807922 503901489 /nfs/dbraw/zinc/90/14/89/503901489.db2.gz VDYAWCWBFCAAND-UHFFFAOYSA-N 1 2 361.445 3.482 20 30 FGEDLO Cc1ccnc(OC2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000543906725 503937677 /nfs/dbraw/zinc/93/76/77/503937677.db2.gz FQMDZLQOMFXNKV-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000543916847 503940854 /nfs/dbraw/zinc/94/08/54/503940854.db2.gz ITDGIYFKYNWOHN-OAHLLOKOSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000543916847 503940863 /nfs/dbraw/zinc/94/08/63/503940863.db2.gz ITDGIYFKYNWOHN-OAHLLOKOSA-N 1 2 359.495 3.132 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1OC(C)C ZINC000546966286 503941135 /nfs/dbraw/zinc/94/11/35/503941135.db2.gz GUZDWQSBCNEHTA-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543976271 503957496 /nfs/dbraw/zinc/95/74/96/503957496.db2.gz AKQWCKVILKSHGN-UHFFFAOYSA-N 1 2 350.466 3.137 20 30 FGEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC000547255161 504035691 /nfs/dbraw/zinc/03/56/91/504035691.db2.gz KLFGNZSDEQPFNS-UHFFFAOYSA-N 1 2 361.361 3.105 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000530751311 504074242 /nfs/dbraw/zinc/07/42/42/504074242.db2.gz VBJZKXSSVTYJQP-MOPGFXCFSA-N 1 2 359.433 3.316 20 30 FGEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530877542 504116825 /nfs/dbraw/zinc/11/68/25/504116825.db2.gz HNCGAKSTEDVLOR-AWEZNQCLSA-N 1 2 360.295 3.228 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(Cc4ccccc4)no3)CCOCC2)cc1 ZINC000528784994 504379019 /nfs/dbraw/zinc/37/90/19/504379019.db2.gz WKAWFMHXYBNUIL-UHFFFAOYSA-N 1 2 374.444 3.328 20 30 FGEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000545504972 504509215 /nfs/dbraw/zinc/50/92/15/504509215.db2.gz HDOBXPVZYPKRJY-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000542581728 504546352 /nfs/dbraw/zinc/54/63/52/504546352.db2.gz STADVAAQLYQGHS-QWRGUYRKSA-N 1 2 373.482 3.258 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000548812430 504577026 /nfs/dbraw/zinc/57/70/26/504577026.db2.gz RMAVPXNDIQVITJ-GOSISDBHSA-N 1 2 353.470 3.439 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000521319933 504708986 /nfs/dbraw/zinc/70/89/86/504708986.db2.gz UTBFDVWPSPFXEZ-ZDUSSCGKSA-N 1 2 367.261 3.217 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000532662775 504729018 /nfs/dbraw/zinc/72/90/18/504729018.db2.gz BZDCOVYGSSPZHG-CQSZACIVSA-N 1 2 364.474 3.477 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000532662775 504729023 /nfs/dbraw/zinc/72/90/23/504729023.db2.gz BZDCOVYGSSPZHG-CQSZACIVSA-N 1 2 364.474 3.477 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc(OC)c1O ZINC000529664187 504754868 /nfs/dbraw/zinc/75/48/68/504754868.db2.gz DXIZTRVWPUJWEE-UHFFFAOYSA-N 1 2 351.450 3.355 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc(OC)c1O ZINC000529664187 504754872 /nfs/dbraw/zinc/75/48/72/504754872.db2.gz DXIZTRVWPUJWEE-UHFFFAOYSA-N 1 2 351.450 3.355 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000521631515 504766844 /nfs/dbraw/zinc/76/68/44/504766844.db2.gz JQKMNDQZDKNMLC-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000521631515 504766846 /nfs/dbraw/zinc/76/68/46/504766846.db2.gz JQKMNDQZDKNMLC-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536628676 504771363 /nfs/dbraw/zinc/77/13/63/504771363.db2.gz ZYUQHLWHPJERCI-UHFFFAOYSA-N 1 2 373.460 3.307 20 30 FGEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536628676 504771364 /nfs/dbraw/zinc/77/13/64/504771364.db2.gz ZYUQHLWHPJERCI-UHFFFAOYSA-N 1 2 373.460 3.307 20 30 FGEDLO N#CC1(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000562381634 504801056 /nfs/dbraw/zinc/80/10/56/504801056.db2.gz BXWPOUWLRJBWEL-OAHLLOKOSA-N 1 2 364.852 3.046 20 30 FGEDLO N#CC1(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000562381634 504801061 /nfs/dbraw/zinc/80/10/61/504801061.db2.gz BXWPOUWLRJBWEL-OAHLLOKOSA-N 1 2 364.852 3.046 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000556336787 504847583 /nfs/dbraw/zinc/84/75/83/504847583.db2.gz NHMGQWRHHWMFRF-UHFFFAOYSA-N 1 2 359.495 3.276 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000556336787 504847587 /nfs/dbraw/zinc/84/75/87/504847587.db2.gz NHMGQWRHHWMFRF-UHFFFAOYSA-N 1 2 359.495 3.276 20 30 FGEDLO N#Cc1c(NCc2ccc(N3CCCC3)[nH+]c2)nc2cc(Cl)ccn21 ZINC000553309878 504879239 /nfs/dbraw/zinc/87/92/39/504879239.db2.gz LJPZGFONRNDASB-UHFFFAOYSA-N 1 2 352.829 3.467 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000562703494 504914919 /nfs/dbraw/zinc/91/49/19/504914919.db2.gz BJBIHIJGYSJNNR-GHMZBOCLSA-N 1 2 373.482 3.115 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c2[nH+]ccn21 ZINC000556636219 504926463 /nfs/dbraw/zinc/92/64/63/504926463.db2.gz CMMMTIBSCYQATF-KSSFIOAISA-N 1 2 365.437 3.014 20 30 FGEDLO CC[N@@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000553494243 504930921 /nfs/dbraw/zinc/93/09/21/504930921.db2.gz LOKBOTLPJLHXHS-RDJZCZTQSA-N 1 2 361.371 3.321 20 30 FGEDLO CC[N@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000553494243 504930926 /nfs/dbraw/zinc/93/09/26/504930926.db2.gz LOKBOTLPJLHXHS-RDJZCZTQSA-N 1 2 361.371 3.321 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000562872177 504971693 /nfs/dbraw/zinc/97/16/93/504971693.db2.gz FQOXLGZXYQMIQS-NQIIRXRSSA-N 1 2 369.509 3.258 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000562872177 504971698 /nfs/dbraw/zinc/97/16/98/504971698.db2.gz FQOXLGZXYQMIQS-NQIIRXRSSA-N 1 2 369.509 3.258 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2n1C ZINC000560085171 504988020 /nfs/dbraw/zinc/98/80/20/504988020.db2.gz ZMILALUMIYYCRA-UHFFFAOYSA-N 1 2 359.311 3.420 20 30 FGEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000556926949 505020304 /nfs/dbraw/zinc/02/03/04/505020304.db2.gz FJPQODUPYGMDEA-UHFFFAOYSA-N 1 2 359.433 3.416 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000560497004 505104774 /nfs/dbraw/zinc/10/47/74/505104774.db2.gz FHODNJVCXXURIP-QGZVFWFLSA-N 1 2 359.433 3.225 20 30 FGEDLO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1C ZINC000566563882 505207688 /nfs/dbraw/zinc/20/76/88/505207688.db2.gz JLHQRPNMIBCVEB-UHFFFAOYSA-N 1 2 350.422 3.406 20 30 FGEDLO N#Cc1ccc2ncc(C[NH2+][C@@H](CO)c3c(Cl)cccc3Cl)n2c1 ZINC000551821715 505319052 /nfs/dbraw/zinc/31/90/52/505319052.db2.gz PIZFKSJREJDUIW-HNNXBMFYSA-N 1 2 361.232 3.336 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000561350577 505322441 /nfs/dbraw/zinc/32/24/41/505322441.db2.gz XSMGWKUHUKPUOS-IPMKNSEASA-N 1 2 363.465 3.353 20 30 FGEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000558183580 505329856 /nfs/dbraw/zinc/32/98/56/505329856.db2.gz PPFJLJAXFXZJFP-IBGZPJMESA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000558183580 505329861 /nfs/dbraw/zinc/32/98/61/505329861.db2.gz PPFJLJAXFXZJFP-IBGZPJMESA-N 1 2 372.490 3.424 20 30 FGEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000558218390 505337743 /nfs/dbraw/zinc/33/77/43/505337743.db2.gz SHMABFAMBIMXRU-OAQYLSRUSA-N 1 2 363.461 3.375 20 30 FGEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000558218390 505337747 /nfs/dbraw/zinc/33/77/47/505337747.db2.gz SHMABFAMBIMXRU-OAQYLSRUSA-N 1 2 363.461 3.375 20 30 FGEDLO COc1ccncc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000561871750 505456186 /nfs/dbraw/zinc/45/61/86/505456186.db2.gz ALLXDJPOCRDTIU-SFHVURJKSA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000555635298 505481616 /nfs/dbraw/zinc/48/16/16/505481616.db2.gz WUUODPNSKYDRQF-OCCSQVGLSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000555635298 505481620 /nfs/dbraw/zinc/48/16/20/505481620.db2.gz WUUODPNSKYDRQF-OCCSQVGLSA-N 1 2 354.429 3.384 20 30 FGEDLO C=CCCCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000564666810 505486977 /nfs/dbraw/zinc/48/69/77/505486977.db2.gz QWGDAZMTRLXKOQ-CALCHBBNSA-N 1 2 360.502 3.241 20 30 FGEDLO N#Cc1csc(CN[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000562071894 505510259 /nfs/dbraw/zinc/51/02/59/505510259.db2.gz XYXGDRXCYVNWMH-CQSZACIVSA-N 1 2 366.412 3.398 20 30 FGEDLO N#Cc1csc(CN[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000562071894 505510264 /nfs/dbraw/zinc/51/02/64/505510264.db2.gz XYXGDRXCYVNWMH-CQSZACIVSA-N 1 2 366.412 3.398 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000562078820 505511934 /nfs/dbraw/zinc/51/19/34/505511934.db2.gz ZIHFYHYRSLOTGK-GFCCVEGCSA-N 1 2 367.261 3.217 20 30 FGEDLO C=CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807279 505558570 /nfs/dbraw/zinc/55/85/70/505558570.db2.gz XPVXDKQLKARENQ-UHFFFAOYSA-N 1 2 352.232 3.234 20 30 FGEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccc(F)cc21 ZINC000593117650 506403615 /nfs/dbraw/zinc/40/36/15/506403615.db2.gz QTTYTJDJCWDDGT-OAHLLOKOSA-N 1 2 372.465 3.133 20 30 FGEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccc(F)cc21 ZINC000593117650 506403619 /nfs/dbraw/zinc/40/36/19/506403619.db2.gz QTTYTJDJCWDDGT-OAHLLOKOSA-N 1 2 372.465 3.133 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccncc2Br)CC1 ZINC000599399019 506441183 /nfs/dbraw/zinc/44/11/83/506441183.db2.gz IUKOWNACVVKCQD-UHFFFAOYSA-N 1 2 357.255 3.296 20 30 FGEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000582838981 506448770 /nfs/dbraw/zinc/44/87/70/506448770.db2.gz MUZCINRZBZGMPM-UHFFFAOYSA-N 1 2 361.496 3.384 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)C1(F)F ZINC000599513716 506479969 /nfs/dbraw/zinc/47/99/69/506479969.db2.gz SURHAYAGOHQUIB-BETUJISGSA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)C1(F)F ZINC000599513716 506479977 /nfs/dbraw/zinc/47/99/77/506479977.db2.gz SURHAYAGOHQUIB-BETUJISGSA-N 1 2 353.438 3.464 20 30 FGEDLO N#Cc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000589303349 506509821 /nfs/dbraw/zinc/50/98/21/506509821.db2.gz BIPRWSDWIMOQAY-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO CN(C(=O)NCC1(C#N)CCCC1)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603434196 506511948 /nfs/dbraw/zinc/51/19/48/506511948.db2.gz CPMRKPRDQVTDAM-INIZCTEOSA-N 1 2 355.417 3.364 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1C#N ZINC000589309751 506513502 /nfs/dbraw/zinc/51/35/02/506513502.db2.gz MUFJUPDBCOLSMB-KRWDZBQOSA-N 1 2 366.856 3.349 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1C#N ZINC000589309751 506513509 /nfs/dbraw/zinc/51/35/09/506513509.db2.gz MUFJUPDBCOLSMB-KRWDZBQOSA-N 1 2 366.856 3.349 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1C#N ZINC000589309752 506513542 /nfs/dbraw/zinc/51/35/42/506513542.db2.gz MUFJUPDBCOLSMB-QGZVFWFLSA-N 1 2 366.856 3.349 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1C#N ZINC000589309752 506513550 /nfs/dbraw/zinc/51/35/50/506513550.db2.gz MUFJUPDBCOLSMB-QGZVFWFLSA-N 1 2 366.856 3.349 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635141 506541642 /nfs/dbraw/zinc/54/16/42/506541642.db2.gz NBXMYLAMLNMZMH-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635141 506541648 /nfs/dbraw/zinc/54/16/48/506541648.db2.gz NBXMYLAMLNMZMH-LBPRGKRZSA-N 1 2 351.372 3.014 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599634398 506541780 /nfs/dbraw/zinc/54/17/80/506541780.db2.gz JTSIYHFLMHDMAV-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599634398 506541789 /nfs/dbraw/zinc/54/17/89/506541789.db2.gz JTSIYHFLMHDMAV-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599647556 506548796 /nfs/dbraw/zinc/54/87/96/506548796.db2.gz QMCHEJSDGPRIOH-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599647556 506548801 /nfs/dbraw/zinc/54/88/01/506548801.db2.gz QMCHEJSDGPRIOH-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO CC(C)(C#N)CC[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599668444 506568972 /nfs/dbraw/zinc/56/89/72/506568972.db2.gz FEPICQMKDRXVHR-UHFFFAOYSA-N 1 2 353.388 3.289 20 30 FGEDLO CC(C)(C#N)CC[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599668444 506568980 /nfs/dbraw/zinc/56/89/80/506568980.db2.gz FEPICQMKDRXVHR-UHFFFAOYSA-N 1 2 353.388 3.289 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)c1C#N ZINC000589520713 506577100 /nfs/dbraw/zinc/57/71/00/506577100.db2.gz UDPRCIPVVDYMFA-UHFFFAOYSA-N 1 2 359.524 3.369 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000593387282 506593249 /nfs/dbraw/zinc/59/32/49/506593249.db2.gz WYNLJPLUWUYPKT-IRXDYDNUSA-N 1 2 362.424 3.093 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000593387282 506593257 /nfs/dbraw/zinc/59/32/57/506593257.db2.gz WYNLJPLUWUYPKT-IRXDYDNUSA-N 1 2 362.424 3.093 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603689501 506595628 /nfs/dbraw/zinc/59/56/28/506595628.db2.gz NNANYDXPGICYLK-AWEZNQCLSA-N 1 2 362.393 3.152 20 30 FGEDLO Cc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c(C)[nH+]1 ZINC000596791377 506600005 /nfs/dbraw/zinc/60/00/05/506600005.db2.gz XDACUPRDIOPPJR-UHFFFAOYSA-N 1 2 350.422 3.398 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000583125318 506602381 /nfs/dbraw/zinc/60/23/81/506602381.db2.gz FZPJTCCDVYRPMV-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000583125318 506602387 /nfs/dbraw/zinc/60/23/87/506602387.db2.gz FZPJTCCDVYRPMV-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000596842641 506631352 /nfs/dbraw/zinc/63/13/52/506631352.db2.gz OHDAAOKFTIWEPS-HZPDHXFCSA-N 1 2 363.446 3.081 20 30 FGEDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000583201802 506646487 /nfs/dbraw/zinc/64/64/87/506646487.db2.gz NTUWOTIOMPKJBL-CQSZACIVSA-N 1 2 361.511 3.326 20 30 FGEDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000583201802 506646490 /nfs/dbraw/zinc/64/64/90/506646490.db2.gz NTUWOTIOMPKJBL-CQSZACIVSA-N 1 2 361.511 3.326 20 30 FGEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000593559924 506683683 /nfs/dbraw/zinc/68/36/83/506683683.db2.gz LLQXCLVZKLHWKJ-MRXNPFEDSA-N 1 2 358.467 3.127 20 30 FGEDLO Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000596985242 506713552 /nfs/dbraw/zinc/71/35/52/506713552.db2.gz CGVAPXQEPKXWFE-UHFFFAOYSA-N 1 2 363.387 3.023 20 30 FGEDLO Cn1nc(C(F)(F)F)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000596985242 506713554 /nfs/dbraw/zinc/71/35/54/506713554.db2.gz CGVAPXQEPKXWFE-UHFFFAOYSA-N 1 2 363.387 3.023 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000597058611 506755762 /nfs/dbraw/zinc/75/57/62/506755762.db2.gz NXSYNBRWBQFASN-UHFFFAOYSA-N 1 2 368.481 3.116 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000609080177 506771531 /nfs/dbraw/zinc/77/15/31/506771531.db2.gz DBWUAJBPCBRUKQ-UHFFFAOYSA-N 1 2 372.375 3.297 20 30 FGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000612853748 506782497 /nfs/dbraw/zinc/78/24/97/506782497.db2.gz YONLZBCFOCTLII-OAQYLSRUSA-N 1 2 363.461 3.351 20 30 FGEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000612853748 506782500 /nfs/dbraw/zinc/78/25/00/506782500.db2.gz YONLZBCFOCTLII-OAQYLSRUSA-N 1 2 363.461 3.351 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597184075 506822409 /nfs/dbraw/zinc/82/24/09/506822409.db2.gz SISZGJQRLRZPCW-UHFFFAOYSA-N 1 2 355.511 3.182 20 30 FGEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184440 506822536 /nfs/dbraw/zinc/82/25/36/506822536.db2.gz WVECNIPNBWMCQV-UHFFFAOYSA-N 1 2 363.490 3.436 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000593936404 506835614 /nfs/dbraw/zinc/83/56/14/506835614.db2.gz AWDDMIGAXJHQBI-OAHLLOKOSA-N 1 2 363.490 3.442 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)nn1 ZINC000593974374 506860522 /nfs/dbraw/zinc/86/05/22/506860522.db2.gz AOKZLCGLTYJVAY-NJAFHUGGSA-N 1 2 360.502 3.329 20 30 FGEDLO C=CCCn1cc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)nn1 ZINC000593974374 506860530 /nfs/dbraw/zinc/86/05/30/506860530.db2.gz AOKZLCGLTYJVAY-NJAFHUGGSA-N 1 2 360.502 3.329 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026720 506891993 /nfs/dbraw/zinc/89/19/93/506891993.db2.gz NTSPVHFEXHMZLR-ZFWWWQNUSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026720 506892002 /nfs/dbraw/zinc/89/20/02/506892002.db2.gz NTSPVHFEXHMZLR-ZFWWWQNUSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCCCC1 ZINC000594053535 506908880 /nfs/dbraw/zinc/90/88/80/506908880.db2.gz CBSNTSQBECPSMO-SJLPKXTDSA-N 1 2 366.465 3.279 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)nc1 ZINC000590754309 506939574 /nfs/dbraw/zinc/93/95/74/506939574.db2.gz VDMGHYDVIIXTHU-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)nc1 ZINC000590754309 506939580 /nfs/dbraw/zinc/93/95/80/506939580.db2.gz VDMGHYDVIIXTHU-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO N#CCN1CCC(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000609620978 506949480 /nfs/dbraw/zinc/94/94/80/506949480.db2.gz YDZYNWZRFBTEPJ-UHFFFAOYSA-N 1 2 370.840 3.245 20 30 FGEDLO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583847609 507006425 /nfs/dbraw/zinc/00/64/25/507006425.db2.gz SBQYOVZURXUOIW-INIZCTEOSA-N 1 2 364.243 3.077 20 30 FGEDLO N#CCCCCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000594216721 507017059 /nfs/dbraw/zinc/01/70/59/507017059.db2.gz LSRCNVUBMGDLAL-UHFFFAOYSA-N 1 2 353.388 3.434 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000594314545 507075492 /nfs/dbraw/zinc/07/54/92/507075492.db2.gz KSUCQJHTCYYTSZ-SFHVURJKSA-N 1 2 372.472 3.492 20 30 FGEDLO CC[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000610139031 507113719 /nfs/dbraw/zinc/11/37/19/507113719.db2.gz DWBOKNXPGHZIDI-FXAWDEMLSA-N 1 2 354.498 3.354 20 30 FGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000610161019 507120306 /nfs/dbraw/zinc/12/03/06/507120306.db2.gz IZGLGTGINOENDQ-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO C=CCCn1cc(CSCc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000594561017 507186194 /nfs/dbraw/zinc/18/61/94/507186194.db2.gz OTUONTYHVKYMHR-UHFFFAOYSA-N 1 2 358.511 3.120 20 30 FGEDLO N#CC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC2(CC2)C1 ZINC000601036617 507237088 /nfs/dbraw/zinc/23/70/88/507237088.db2.gz UXECLJXOUWOKOP-UHFFFAOYSA-N 1 2 374.448 3.346 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000610486111 507257671 /nfs/dbraw/zinc/25/76/71/507257671.db2.gz MEBQJGRNWBAWSN-MRXNPFEDSA-N 1 2 366.440 3.015 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240903 507307855 /nfs/dbraw/zinc/30/78/55/507307855.db2.gz QEJYRBWETCEVDT-UHFFFAOYSA-N 1 2 355.423 3.027 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610594194 507310074 /nfs/dbraw/zinc/31/00/74/507310074.db2.gz YHLLPEKVZUSTRF-YADHBBJMSA-N 1 2 374.488 3.484 20 30 FGEDLO Cc1cccn2c(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c[nH+]c12 ZINC000598261380 507348714 /nfs/dbraw/zinc/34/87/14/507348714.db2.gz GQJPEDLFLHIDHE-OAHLLOKOSA-N 1 2 363.396 3.119 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CC4(CC4)C3)n2)O1 ZINC000601385229 507352152 /nfs/dbraw/zinc/35/21/52/507352152.db2.gz LCAUPVWSBGWNRM-WBVHZDCISA-N 1 2 364.449 3.367 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CC4(CC4)C3)n2)O1 ZINC000601385229 507352161 /nfs/dbraw/zinc/35/21/61/507352161.db2.gz LCAUPVWSBGWNRM-WBVHZDCISA-N 1 2 364.449 3.367 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846787 507411921 /nfs/dbraw/zinc/41/19/21/507411921.db2.gz HOZXOYWLUYHRHP-MRXNPFEDSA-N 1 2 373.460 3.297 20 30 FGEDLO CSc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000595355594 507469342 /nfs/dbraw/zinc/46/93/42/507469342.db2.gz CWJIFAHYTLMINR-UHFFFAOYSA-N 1 2 354.479 3.468 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592059627 507469959 /nfs/dbraw/zinc/46/99/59/507469959.db2.gz VTWCJALQLILXIX-HNNXBMFYSA-N 1 2 363.490 3.442 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000595396868 507480389 /nfs/dbraw/zinc/48/03/89/507480389.db2.gz SYWRVLAZKUMGTP-GOSISDBHSA-N 1 2 373.378 3.293 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000595396868 507480397 /nfs/dbraw/zinc/48/03/97/507480397.db2.gz SYWRVLAZKUMGTP-GOSISDBHSA-N 1 2 373.378 3.293 20 30 FGEDLO CC(C)(C)c1csc([C@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589092 507507820 /nfs/dbraw/zinc/50/78/20/507507820.db2.gz CZAUDNRMGVOGIR-UONOGXRCSA-N 1 2 351.516 3.115 20 30 FGEDLO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589092 507507828 /nfs/dbraw/zinc/50/78/28/507507828.db2.gz CZAUDNRMGVOGIR-UONOGXRCSA-N 1 2 351.516 3.115 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000598650690 507534288 /nfs/dbraw/zinc/53/42/88/507534288.db2.gz WBAFBSSWYYOAIV-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000598650690 507534295 /nfs/dbraw/zinc/53/42/95/507534295.db2.gz WBAFBSSWYYOAIV-UHFFFAOYSA-N 1 2 366.465 3.086 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000595537906 507548359 /nfs/dbraw/zinc/54/83/59/507548359.db2.gz HLIMYUOIQXPWRY-IBGZPJMESA-N 1 2 365.481 3.351 20 30 FGEDLO COC(=O)C1([N@H+](Cc2ccc(C#N)cc2OC(F)F)C2CC2)CCC1 ZINC000595538532 507548945 /nfs/dbraw/zinc/54/89/45/507548945.db2.gz QSTJXIQIWFLYIG-UHFFFAOYSA-N 1 2 350.365 3.220 20 30 FGEDLO COC(=O)C1([N@@H+](Cc2ccc(C#N)cc2OC(F)F)C2CC2)CCC1 ZINC000595538532 507548949 /nfs/dbraw/zinc/54/89/49/507548949.db2.gz QSTJXIQIWFLYIG-UHFFFAOYSA-N 1 2 350.365 3.220 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179930 507551099 /nfs/dbraw/zinc/55/10/99/507551099.db2.gz NTTZFSGAECJSOA-OAHLLOKOSA-N 1 2 372.419 3.491 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179930 507551103 /nfs/dbraw/zinc/55/11/03/507551103.db2.gz NTTZFSGAECJSOA-OAHLLOKOSA-N 1 2 372.419 3.491 20 30 FGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000611194811 507557206 /nfs/dbraw/zinc/55/72/06/507557206.db2.gz QJXCXGXPGVCYRX-HNNXBMFYSA-N 1 2 355.219 3.078 20 30 FGEDLO COCC#CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000611194811 507557212 /nfs/dbraw/zinc/55/72/12/507557212.db2.gz QJXCXGXPGVCYRX-HNNXBMFYSA-N 1 2 355.219 3.078 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598726003 507569253 /nfs/dbraw/zinc/56/92/53/507569253.db2.gz LYTZUYZLJSGQRA-SFHVURJKSA-N 1 2 358.511 3.488 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598726003 507569259 /nfs/dbraw/zinc/56/92/59/507569259.db2.gz LYTZUYZLJSGQRA-SFHVURJKSA-N 1 2 358.511 3.488 20 30 FGEDLO CSc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000611246616 507577483 /nfs/dbraw/zinc/57/74/83/507577483.db2.gz IUNKHIPTGLIVFK-UHFFFAOYSA-N 1 2 367.478 3.025 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613400 507592160 /nfs/dbraw/zinc/59/21/60/507592160.db2.gz CMVBPGYXVOPOJC-ZDUSSCGKSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613400 507592165 /nfs/dbraw/zinc/59/21/65/507592165.db2.gz CMVBPGYXVOPOJC-ZDUSSCGKSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595621919 507598178 /nfs/dbraw/zinc/59/81/78/507598178.db2.gz ZTURVHVPEMTRSL-MSOLQXFVSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621919 507598182 /nfs/dbraw/zinc/59/81/82/507598182.db2.gz ZTURVHVPEMTRSL-MSOLQXFVSA-N 1 2 365.481 3.442 20 30 FGEDLO CC(C)C[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000602181090 507616482 /nfs/dbraw/zinc/61/64/82/507616482.db2.gz NUJKLQLWOWQUCR-FQEVSTJZSA-N 1 2 365.481 3.445 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000585817539 507646878 /nfs/dbraw/zinc/64/68/78/507646878.db2.gz XOBHELZDSQLOPE-KRWDZBQOSA-N 1 2 353.388 3.289 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)ccn1 ZINC000595723347 507648540 /nfs/dbraw/zinc/64/85/40/507648540.db2.gz XCDASYYZDQGOTR-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1 ZINC000586790264 507672557 /nfs/dbraw/zinc/67/25/57/507672557.db2.gz GZNWCYMFCLGSSS-LJQANCHMSA-N 1 2 362.408 3.074 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3noc(-c4ccsc4)n3)CCOCC2)c1 ZINC000595771626 507678297 /nfs/dbraw/zinc/67/82/97/507678297.db2.gz AGPWFEBWUWBZAW-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000592522504 507692554 /nfs/dbraw/zinc/69/25/54/507692554.db2.gz NTIZQRGMFHLDKB-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000592522504 507692559 /nfs/dbraw/zinc/69/25/59/507692559.db2.gz NTIZQRGMFHLDKB-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611500683 507707913 /nfs/dbraw/zinc/70/79/13/507707913.db2.gz NYDXYRCPZVFCBB-CYBMUJFWSA-N 1 2 363.421 3.448 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840603 507710193 /nfs/dbraw/zinc/71/01/93/507710193.db2.gz PUIDLMQDHVZNQE-CWTRNNRKSA-N 1 2 355.511 3.176 20 30 FGEDLO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840603 507710194 /nfs/dbraw/zinc/71/01/94/507710194.db2.gz PUIDLMQDHVZNQE-CWTRNNRKSA-N 1 2 355.511 3.176 20 30 FGEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000602455771 507716704 /nfs/dbraw/zinc/71/67/04/507716704.db2.gz SNKUWCZOYSGCBP-OAQYLSRUSA-N 1 2 372.476 3.113 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000587866756 507718346 /nfs/dbraw/zinc/71/83/46/507718346.db2.gz VZXCIDVUKXTPOV-OAHLLOKOSA-N 1 2 363.421 3.162 20 30 FGEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550435 507733889 /nfs/dbraw/zinc/73/38/89/507733889.db2.gz AWUWPOMPNIGYQD-RHSMWYFYSA-N 1 2 371.412 3.149 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000611562879 507740558 /nfs/dbraw/zinc/74/05/58/507740558.db2.gz VALNPXLUWDZSLV-QGZVFWFLSA-N 1 2 351.454 3.039 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCO1 ZINC000330340624 568267081 /nfs/dbraw/zinc/26/70/81/568267081.db2.gz YDTNSSYWDQHTKB-SJCJKPOMSA-N 1 2 370.384 3.038 20 30 FGEDLO C=CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000735409809 598676153 /nfs/dbraw/zinc/67/61/53/598676153.db2.gz LNNDATSSJZYXRP-UHFFFAOYSA-N 1 2 372.379 3.419 20 30 FGEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000611807544 676055916 /nfs/dbraw/zinc/05/59/16/676055916.db2.gz LOLUWTSNAOOLAA-UHFFFAOYSA-N 1 2 354.801 3.013 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000113249231 700569786 /nfs/dbraw/zinc/56/97/86/700569786.db2.gz CFOQNGJLNYVHFH-GFCCVEGCSA-N 1 2 361.829 3.207 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177623709 705631084 /nfs/dbraw/zinc/63/10/84/705631084.db2.gz KWGGRZLDKIYZHL-HVEKOLDVSA-N 1 2 362.905 3.486 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177623709 705631088 /nfs/dbraw/zinc/63/10/88/705631088.db2.gz KWGGRZLDKIYZHL-HVEKOLDVSA-N 1 2 362.905 3.486 20 30 FGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000185889284 712704046 /nfs/dbraw/zinc/70/40/46/712704046.db2.gz XMAATVOQZZWSBK-BXUZGUMPSA-N 1 2 360.259 3.406 20 30 FGEDLO CON=Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000255639152 713703395 /nfs/dbraw/zinc/70/33/95/713703395.db2.gz LDSYRWTUBDMKNJ-UHFFFAOYSA-N 1 2 358.467 3.362 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCCOC4)n2)C1 ZINC000329682419 713831678 /nfs/dbraw/zinc/83/16/78/713831678.db2.gz YQIZCIWKRNSTTG-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCCOC4)n2)C1 ZINC000329682419 713831680 /nfs/dbraw/zinc/83/16/80/713831680.db2.gz YQIZCIWKRNSTTG-CQSZACIVSA-N 1 2 364.515 3.033 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000622769545 715089930 /nfs/dbraw/zinc/08/99/30/715089930.db2.gz MASSSODDROFSSW-QGZVFWFLSA-N 1 2 361.917 3.047 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000625510756 715742887 /nfs/dbraw/zinc/74/28/87/715742887.db2.gz IKWJEIMPWSPFPE-UHFFFAOYSA-N 1 2 364.305 3.154 20 30 FGEDLO Cc1cc(Br)cn2c(CN=Nc3ncncc3Cl)c[nH+]c12 ZINC000780281033 724456654 /nfs/dbraw/zinc/45/66/54/724456654.db2.gz XTXYVRMENMCCOZ-UHFFFAOYSA-N 1 2 365.622 3.295 20 30 FGEDLO C=CCCn1cc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nn1 ZINC000653487053 719047213 /nfs/dbraw/zinc/04/72/13/719047213.db2.gz DHLIGXBFUCYFHM-MRXNPFEDSA-N 1 2 359.905 3.386 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)nc1C1CC1 ZINC000782289413 724648812 /nfs/dbraw/zinc/64/88/12/724648812.db2.gz IKNXKPFOCMEQLW-MRXNPFEDSA-N 1 2 355.511 3.395 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](Cc3ccncc3)C2)nc1C1CC1 ZINC000782289413 724648813 /nfs/dbraw/zinc/64/88/13/724648813.db2.gz IKNXKPFOCMEQLW-MRXNPFEDSA-N 1 2 355.511 3.395 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H](C)COC ZINC000664319157 720624281 /nfs/dbraw/zinc/62/42/81/720624281.db2.gz FODRPHPJXYDCQS-CABCVRRESA-N 1 2 366.531 3.430 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H](C)COC ZINC000664319157 720624289 /nfs/dbraw/zinc/62/42/89/720624289.db2.gz FODRPHPJXYDCQS-CABCVRRESA-N 1 2 366.531 3.430 20 30 FGEDLO C#CCN(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732469409 722485136 /nfs/dbraw/zinc/48/51/36/722485136.db2.gz HSNTXQQALYKRDP-MRXNPFEDSA-N 1 2 351.853 3.108 20 30 FGEDLO C#CCN(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732469409 722485137 /nfs/dbraw/zinc/48/51/37/722485137.db2.gz HSNTXQQALYKRDP-MRXNPFEDSA-N 1 2 351.853 3.108 20 30 FGEDLO C#CCNC(=O)C1CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000747797935 722661011 /nfs/dbraw/zinc/66/10/11/722661011.db2.gz IGLRCCBXSNJMJE-UHFFFAOYSA-N 1 2 363.870 3.036 20 30 FGEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000749966168 722750272 /nfs/dbraw/zinc/75/02/72/722750272.db2.gz LEPAOSGCNZQCTG-CQSZACIVSA-N 1 2 362.474 3.332 20 30 FGEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000749966168 722750274 /nfs/dbraw/zinc/75/02/74/722750274.db2.gz LEPAOSGCNZQCTG-CQSZACIVSA-N 1 2 362.474 3.332 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[N@@H+](C)C[C@@H]3C)cc2)cc1 ZINC000752157821 722846537 /nfs/dbraw/zinc/84/65/37/722846537.db2.gz DHXYTQXUYBGPJZ-HNNXBMFYSA-N 1 2 357.479 3.177 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000752157821 722846540 /nfs/dbraw/zinc/84/65/40/722846540.db2.gz DHXYTQXUYBGPJZ-HNNXBMFYSA-N 1 2 357.479 3.177 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899851 722947661 /nfs/dbraw/zinc/94/76/61/722947661.db2.gz LRTABXYGZJTEJT-FUHWJXTLSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000754899851 722947662 /nfs/dbraw/zinc/94/76/62/722947662.db2.gz LRTABXYGZJTEJT-FUHWJXTLSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000759842953 723023568 /nfs/dbraw/zinc/02/35/68/723023568.db2.gz FMHALYZVOOVXLL-GOSISDBHSA-N 1 2 360.816 3.064 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000759842953 723023571 /nfs/dbraw/zinc/02/35/71/723023571.db2.gz FMHALYZVOOVXLL-GOSISDBHSA-N 1 2 360.816 3.064 20 30 FGEDLO COC(=O)c1ccc(Br)c(N=NC(C)c2cn(C)c(C)[nH+]2)c1 ZINC000793117829 723401382 /nfs/dbraw/zinc/40/13/82/723401382.db2.gz QLRMHWBIACFNHO-UHFFFAOYSA-N 1 2 365.231 3.114 20 30 FGEDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000793540366 723447314 /nfs/dbraw/zinc/44/73/14/723447314.db2.gz ONIWEPVBKHJZIW-UHFFFAOYSA-N 1 2 350.447 3.269 20 30 FGEDLO COc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc(OC)c1OC ZINC000794689666 723541142 /nfs/dbraw/zinc/54/11/42/723541142.db2.gz CCOYRWYCGRWVPM-VOTSOKGWSA-N 1 2 362.451 3.127 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccn(-c3ccc(Cl)cc3)n2)cc1 ZINC000767090399 723606685 /nfs/dbraw/zinc/60/66/85/723606685.db2.gz GPRUVNJSKDZKSN-UHFFFAOYSA-N 1 2 356.813 3.371 20 30 FGEDLO C=C(Cl)CNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799371789 724020070 /nfs/dbraw/zinc/02/00/70/724020070.db2.gz LIKYGFAFWHRPMI-HNNXBMFYSA-N 1 2 351.878 3.054 20 30 FGEDLO C=C(Cl)CNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799371789 724020074 /nfs/dbraw/zinc/02/00/74/724020074.db2.gz LIKYGFAFWHRPMI-HNNXBMFYSA-N 1 2 351.878 3.054 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)s1 ZINC000799636511 724072810 /nfs/dbraw/zinc/07/28/10/724072810.db2.gz RGTHMAAOPQJCLS-UHFFFAOYSA-N 1 2 353.491 3.449 20 30 FGEDLO C=C[C@](C)(CCOC)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805925385 725104202 /nfs/dbraw/zinc/10/42/02/725104202.db2.gz LVGBYVNABUUHTO-LJQANCHMSA-N 1 2 366.527 3.436 20 30 FGEDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811465760 725367458 /nfs/dbraw/zinc/36/74/58/725367458.db2.gz MPIAUAAVGLJEBP-UHFFFAOYSA-N 1 2 362.417 3.222 20 30 FGEDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811465760 725367459 /nfs/dbraw/zinc/36/74/59/725367459.db2.gz MPIAUAAVGLJEBP-UHFFFAOYSA-N 1 2 362.417 3.222 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(Br)nc2)s1 ZINC000811696308 725377026 /nfs/dbraw/zinc/37/70/26/725377026.db2.gz LRPKMPKKQVFNJC-GQCTYLIASA-N 1 2 352.257 3.258 20 30 FGEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000812933901 726823916 /nfs/dbraw/zinc/82/39/16/726823916.db2.gz DBHBQWVJSSPQQP-SFHVURJKSA-N 1 2 357.454 3.089 20 30 FGEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(N)[nH+]c3)cc2c1C ZINC000821038296 729052447 /nfs/dbraw/zinc/05/24/47/729052447.db2.gz HISVTUJGYOEZTD-HWKANZROSA-N 1 2 353.403 3.265 20 30 FGEDLO C#CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 ZINC000830333712 729550674 /nfs/dbraw/zinc/55/06/74/729550674.db2.gz GQVOEXNQOODTHE-UHFFFAOYSA-N 1 2 355.463 3.102 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852752654 731629871 /nfs/dbraw/zinc/62/98/71/731629871.db2.gz GOCHJYOMYPVPPI-UHFFFAOYSA-N 1 2 353.344 3.227 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000852752654 731629876 /nfs/dbraw/zinc/62/98/76/731629876.db2.gz GOCHJYOMYPVPPI-UHFFFAOYSA-N 1 2 353.344 3.227 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000853524799 731717576 /nfs/dbraw/zinc/71/75/76/731717576.db2.gz QLTOTSASWZLNOH-AWEZNQCLSA-N 1 2 374.282 3.258 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000853524799 731717577 /nfs/dbraw/zinc/71/75/77/731717577.db2.gz QLTOTSASWZLNOH-AWEZNQCLSA-N 1 2 374.282 3.258 20 30 FGEDLO C[N@@H+](Cc1ncc(Br)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC000862401821 732825977 /nfs/dbraw/zinc/82/59/77/732825977.db2.gz UGFNOYZIPZZWBQ-INIZCTEOSA-N 1 2 364.218 3.020 20 30 FGEDLO C[N@H+](Cc1ncc(Br)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC000862401821 732825981 /nfs/dbraw/zinc/82/59/81/732825981.db2.gz UGFNOYZIPZZWBQ-INIZCTEOSA-N 1 2 364.218 3.020 20 30 FGEDLO CC(=[NH+]NCC(F)(F)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000863180663 732920323 /nfs/dbraw/zinc/92/03/23/732920323.db2.gz GEYHEMDCPDGYDE-UHFFFAOYSA-N 1 2 351.319 3.034 20 30 FGEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(Cl)cc2)c(N2CCCC2)n1 ZINC000863950539 733019431 /nfs/dbraw/zinc/01/94/31/733019431.db2.gz APNZQUAJMQPUJP-UHFFFAOYSA-N 1 2 351.241 3.412 20 30 FGEDLO N#CCc1ccsc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000870044238 733805767 /nfs/dbraw/zinc/80/57/67/733805767.db2.gz SKHRBVHPPZHQPG-UHFFFAOYSA-N 1 2 356.447 3.003 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876736164 736137714 /nfs/dbraw/zinc/13/77/14/736137714.db2.gz SDUBFSVXYWSCAS-WFASDCNBSA-N 1 2 364.877 3.342 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876736164 736137718 /nfs/dbraw/zinc/13/77/18/736137718.db2.gz SDUBFSVXYWSCAS-WFASDCNBSA-N 1 2 364.877 3.342 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2ccc(I)s2)CC1 ZINC000895833927 742459366 /nfs/dbraw/zinc/45/93/66/742459366.db2.gz FXLSIXNYEPZPEM-UHFFFAOYSA-N 1 2 363.264 3.256 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3c(Cl)nc4cc(Cl)ccn43)CC2)C1 ZINC000897599472 742694392 /nfs/dbraw/zinc/69/43/92/742694392.db2.gz MHJHGVMPTBBUBM-UHFFFAOYSA-N 1 2 366.248 3.479 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899976433 743035972 /nfs/dbraw/zinc/03/59/72/743035972.db2.gz WRCAYTQRNMUMFH-KAMYIIQDSA-N 1 2 354.903 3.195 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](Cc2cc(C)sc2C)C1 ZINC000952446457 762525741 /nfs/dbraw/zinc/52/57/41/762525741.db2.gz LQZPDZNTEJXVAD-OALUTQOASA-N 1 2 362.539 3.379 20 30 FGEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1cccc(Cl)c1C ZINC000915050794 757870769 /nfs/dbraw/zinc/87/07/69/757870769.db2.gz CQAIFUFTLAFWFS-UHFFFAOYSA-N 1 2 360.849 3.075 20 30 FGEDLO CN(CCC#N)c1ccc(C=[NH+]NC(=S)NCc2ccccc2)cc1 ZINC000915924595 758005209 /nfs/dbraw/zinc/00/52/09/758005209.db2.gz ULMBKOREQIQJGC-UHFFFAOYSA-N 1 2 351.479 3.035 20 30 FGEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000931142664 760788630 /nfs/dbraw/zinc/78/86/30/760788630.db2.gz SWYJKTDQHHTOBE-LLVKDONJSA-N 1 2 374.790 3.146 20 30 FGEDLO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653013 761446469 /nfs/dbraw/zinc/44/64/69/761446469.db2.gz AFVYAGIWVVTCOO-AWEZNQCLSA-N 1 2 360.479 3.073 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000971572825 762915009 /nfs/dbraw/zinc/91/50/09/762915009.db2.gz OIWHBKFKXJUFGS-QKPAOTATSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000971572825 762915014 /nfs/dbraw/zinc/91/50/14/762915014.db2.gz OIWHBKFKXJUFGS-QKPAOTATSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000981186231 763461914 /nfs/dbraw/zinc/46/19/14/763461914.db2.gz QBTSLUPDIANVHU-ZBFHGGJFSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000981186231 763461916 /nfs/dbraw/zinc/46/19/16/763461916.db2.gz QBTSLUPDIANVHU-ZBFHGGJFSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001015828445 765811276 /nfs/dbraw/zinc/81/12/76/765811276.db2.gz HTZFSYPKLQMBET-INWMFGNUSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001015828445 765811280 /nfs/dbraw/zinc/81/12/80/765811280.db2.gz HTZFSYPKLQMBET-INWMFGNUSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040809 766110432 /nfs/dbraw/zinc/11/04/32/766110432.db2.gz BILZSCYEPRJQHA-YHUYYLMFSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040809 766110437 /nfs/dbraw/zinc/11/04/37/766110437.db2.gz BILZSCYEPRJQHA-YHUYYLMFSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001028142361 766112169 /nfs/dbraw/zinc/11/21/69/766112169.db2.gz KCBHCDDAWSGDFA-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001028142361 766112173 /nfs/dbraw/zinc/11/21/73/766112173.db2.gz KCBHCDDAWSGDFA-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001028142939 766112394 /nfs/dbraw/zinc/11/23/94/766112394.db2.gz UOOJONGGPHYMJB-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001028142939 766112400 /nfs/dbraw/zinc/11/24/00/766112400.db2.gz UOOJONGGPHYMJB-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001028855452 766136470 /nfs/dbraw/zinc/13/64/70/766136470.db2.gz DBZWVOSEQGBFRP-MOSGJHBISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001028855452 766136476 /nfs/dbraw/zinc/13/64/76/766136476.db2.gz DBZWVOSEQGBFRP-MOSGJHBISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001033432368 766215005 /nfs/dbraw/zinc/21/50/05/766215005.db2.gz NTPOQCXGRFDMCL-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001033432368 766215006 /nfs/dbraw/zinc/21/50/06/766215006.db2.gz NTPOQCXGRFDMCL-NUJGCVRESA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cc(C)sc2C)C1 ZINC001044029464 766488217 /nfs/dbraw/zinc/48/82/17/766488217.db2.gz LCZJNNUDJJCHHX-OALUTQOASA-N 1 2 362.539 3.379 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000579563941 505575913 /nfs/dbraw/zinc/57/59/13/505575913.db2.gz HTHGKLNFIYHJLC-AWEZNQCLSA-N 1 2 359.426 3.410 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000579563941 505575916 /nfs/dbraw/zinc/57/59/16/505575916.db2.gz HTHGKLNFIYHJLC-AWEZNQCLSA-N 1 2 359.426 3.410 20 30 FGEDLO C[C@@H](CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000570970060 505622923 /nfs/dbraw/zinc/62/29/23/505622923.db2.gz HGJRKTBZLBLIIO-SMDDNHRTSA-N 1 2 352.316 3.114 20 30 FGEDLO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000048246364 493807231 /nfs/dbraw/zinc/80/72/31/493807231.db2.gz GJTMOJZRVYFFPU-DNVCBOLYSA-N 1 2 359.433 3.442 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cn21 ZINC000068569851 493843720 /nfs/dbraw/zinc/84/37/20/493843720.db2.gz WAQQGYVDLSPDIV-HXUWFJFHSA-N 1 2 362.433 3.234 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000029686910 493851248 /nfs/dbraw/zinc/85/12/48/493851248.db2.gz BDWGQIBQAYBPHP-SFTDATJTSA-N 1 2 363.436 3.145 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058451970 493854974 /nfs/dbraw/zinc/85/49/74/493854974.db2.gz AADYIHUJAOILSV-UHFFFAOYSA-N 1 2 359.433 3.088 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000029920402 493867341 /nfs/dbraw/zinc/86/73/41/493867341.db2.gz GGYXZBBCGFJNMM-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076346383 493871281 /nfs/dbraw/zinc/87/12/81/493871281.db2.gz KJBFGGRRXJMAEE-KBPBESRZSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076346383 493871286 /nfs/dbraw/zinc/87/12/86/493871286.db2.gz KJBFGGRRXJMAEE-KBPBESRZSA-N 1 2 361.511 3.326 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214520 493880295 /nfs/dbraw/zinc/88/02/95/493880295.db2.gz GIEGNYVIMZSFBV-LLVKDONJSA-N 1 2 362.227 3.373 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214520 493880297 /nfs/dbraw/zinc/88/02/97/493880297.db2.gz GIEGNYVIMZSFBV-LLVKDONJSA-N 1 2 362.227 3.373 20 30 FGEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076403194 493886703 /nfs/dbraw/zinc/88/67/03/493886703.db2.gz NIWZHKBLPWZCKP-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000076403194 493886704 /nfs/dbraw/zinc/88/67/04/493886704.db2.gz NIWZHKBLPWZCKP-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000050108310 493898583 /nfs/dbraw/zinc/89/85/83/493898583.db2.gz SKRTVUJWAWAZMP-UHFFFAOYSA-N 1 2 363.421 3.437 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514886 493907678 /nfs/dbraw/zinc/90/76/78/493907678.db2.gz DDMMOYMOZXXYEN-UHFFFAOYSA-N 1 2 364.287 3.033 20 30 FGEDLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514886 493907680 /nfs/dbraw/zinc/90/76/80/493907680.db2.gz DDMMOYMOZXXYEN-UHFFFAOYSA-N 1 2 364.287 3.033 20 30 FGEDLO Cc1nc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)ccc1C#N ZINC000081931387 493967949 /nfs/dbraw/zinc/96/79/49/493967949.db2.gz FJBVIIQKDYKOHI-UHFFFAOYSA-N 1 2 359.433 3.021 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000076805259 493974155 /nfs/dbraw/zinc/97/41/55/493974155.db2.gz XPXINLDDRZLHQZ-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084131886 494050070 /nfs/dbraw/zinc/05/00/70/494050070.db2.gz IVTKSOFFDBBYER-QFBILLFUSA-N 1 2 367.497 3.201 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084131886 494050073 /nfs/dbraw/zinc/05/00/73/494050073.db2.gz IVTKSOFFDBBYER-QFBILLFUSA-N 1 2 367.497 3.201 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660877 494051347 /nfs/dbraw/zinc/05/13/47/494051347.db2.gz ZEEACNKDGWFOMY-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO C[N@H+](CCCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000052802683 494063592 /nfs/dbraw/zinc/06/35/92/494063592.db2.gz MSLCUMBGIIUKEB-GOSISDBHSA-N 1 2 374.444 3.076 20 30 FGEDLO C[N@@H+](CCCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000052802683 494063597 /nfs/dbraw/zinc/06/35/97/494063597.db2.gz MSLCUMBGIIUKEB-GOSISDBHSA-N 1 2 374.444 3.076 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000063754037 494083784 /nfs/dbraw/zinc/08/37/84/494083784.db2.gz VRJRTHWLVWFLKW-UHFFFAOYSA-N 1 2 369.490 3.367 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000063754037 494083791 /nfs/dbraw/zinc/08/37/91/494083791.db2.gz VRJRTHWLVWFLKW-UHFFFAOYSA-N 1 2 369.490 3.367 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000053638679 494154315 /nfs/dbraw/zinc/15/43/15/494154315.db2.gz NLNMFXLWHCJTSX-UHFFFAOYSA-N 1 2 372.490 3.280 20 30 FGEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000041530088 494167621 /nfs/dbraw/zinc/16/76/21/494167621.db2.gz XIXPHBYLEQUKRF-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](C)C#N ZINC000054180965 494203887 /nfs/dbraw/zinc/20/38/87/494203887.db2.gz ROMHZPCOFUCHPX-MRVPVSSYSA-N 1 2 362.065 3.469 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000072662703 494228064 /nfs/dbraw/zinc/22/80/64/494228064.db2.gz UJBVLHCXLZEGTH-UHFFFAOYSA-N 1 2 372.494 3.313 20 30 FGEDLO COC(=O)c1sccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000088506166 494244941 /nfs/dbraw/zinc/24/49/41/494244941.db2.gz USHNJASXAILZIZ-UHFFFAOYSA-N 1 2 356.447 3.450 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccccc2Cl)c(C#N)c1C ZINC000054611897 494251094 /nfs/dbraw/zinc/25/10/94/494251094.db2.gz NODSUCLXNJOCKE-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccccc2Cl)c(C#N)c1C ZINC000054611897 494251095 /nfs/dbraw/zinc/25/10/95/494251095.db2.gz NODSUCLXNJOCKE-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054678605 494259758 /nfs/dbraw/zinc/25/97/58/494259758.db2.gz GFCURURVMDHTEO-UHFFFAOYSA-N 1 2 372.494 3.474 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(CCC#N)CC2CC2)C[C@H](C)O1 ZINC000078492401 494306761 /nfs/dbraw/zinc/30/67/61/494306761.db2.gz WDJSPVKFFDOHHT-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(CCC#N)CC2CC2)C[C@H](C)O1 ZINC000078492401 494306763 /nfs/dbraw/zinc/30/67/63/494306763.db2.gz WDJSPVKFFDOHHT-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055328126 494328368 /nfs/dbraw/zinc/32/83/68/494328368.db2.gz ACYSCNAJXUZQMD-UHFFFAOYSA-N 1 2 362.389 3.444 20 30 FGEDLO CCOC(=O)c1ccc(C#N)c(SCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000055336870 494328868 /nfs/dbraw/zinc/32/88/68/494328868.db2.gz XKICIRIZCXXSQR-UHFFFAOYSA-N 1 2 352.419 3.378 20 30 FGEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000568531636 505717111 /nfs/dbraw/zinc/71/71/11/505717111.db2.gz JLYYYUVTRRLQTD-UHFFFAOYSA-N 1 2 367.428 3.008 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000045029229 494392045 /nfs/dbraw/zinc/39/20/45/494392045.db2.gz LCHNCDMQRRKOQW-UHFFFAOYSA-N 1 2 364.449 3.307 20 30 FGEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066919803 494437771 /nfs/dbraw/zinc/43/77/71/494437771.db2.gz HMRNBRADXQMNKR-HLIPFELVSA-N 1 2 373.497 3.441 20 30 FGEDLO CC(C)c1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000090110680 494442771 /nfs/dbraw/zinc/44/27/71/494442771.db2.gz PLNFNAWLCKMGFR-OAHLLOKOSA-N 1 2 365.485 3.100 20 30 FGEDLO C=CCOCCCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000079610802 494492528 /nfs/dbraw/zinc/49/25/28/494492528.db2.gz IBSPGISTRYQRIH-UHFFFAOYSA-N 1 2 365.477 3.243 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000067319580 494514560 /nfs/dbraw/zinc/51/45/60/494514560.db2.gz PZJIPTQWMINBOX-UHFFFAOYSA-N 1 2 352.438 3.391 20 30 FGEDLO C[N@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529451 494536444 /nfs/dbraw/zinc/53/64/44/494536444.db2.gz AHGGGNPCUOMEPX-UHFFFAOYSA-N 1 2 352.369 3.291 20 30 FGEDLO C[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046529451 494536449 /nfs/dbraw/zinc/53/64/49/494536449.db2.gz AHGGGNPCUOMEPX-UHFFFAOYSA-N 1 2 352.369 3.291 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000023288839 494559928 /nfs/dbraw/zinc/55/99/28/494559928.db2.gz HIGQJMGYUOCZFC-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091889195 494713960 /nfs/dbraw/zinc/71/39/60/494713960.db2.gz DRCFZPJOFZJRSJ-UHFFFAOYSA-N 1 2 373.453 3.379 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@H](C#N)C4CC4)cc3)[nH+]c12 ZINC000108828072 494793811 /nfs/dbraw/zinc/79/38/11/494793811.db2.gz MVSFUMKGJRYILK-LJQANCHMSA-N 1 2 360.417 3.254 20 30 FGEDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075620833 494803103 /nfs/dbraw/zinc/80/31/03/494803103.db2.gz ASCHRNRGCVAZKD-MRXNPFEDSA-N 1 2 350.422 3.345 20 30 FGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000075620833 494803105 /nfs/dbraw/zinc/80/31/05/494803105.db2.gz ASCHRNRGCVAZKD-MRXNPFEDSA-N 1 2 350.422 3.345 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000027775506 494885077 /nfs/dbraw/zinc/88/50/77/494885077.db2.gz KRSIALTUOOUJOH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000027775506 494885080 /nfs/dbraw/zinc/88/50/80/494885080.db2.gz KRSIALTUOOUJOH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000027776968 494885338 /nfs/dbraw/zinc/88/53/38/494885338.db2.gz MJZBDSQZAKWWHL-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000027776968 494885341 /nfs/dbraw/zinc/88/53/41/494885341.db2.gz MJZBDSQZAKWWHL-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000122938887 495056722 /nfs/dbraw/zinc/05/67/22/495056722.db2.gz YQEVXYSLRRFBLG-AWEZNQCLSA-N 1 2 364.367 3.459 20 30 FGEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000122938887 495056724 /nfs/dbraw/zinc/05/67/24/495056724.db2.gz YQEVXYSLRRFBLG-AWEZNQCLSA-N 1 2 364.367 3.459 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c2ccccc21 ZINC000133888696 495075637 /nfs/dbraw/zinc/07/56/37/495075637.db2.gz JFYXOHHIQVKKPJ-QFIPXVFZSA-N 1 2 373.456 3.329 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c2ccccc21 ZINC000133888696 495075641 /nfs/dbraw/zinc/07/56/41/495075641.db2.gz JFYXOHHIQVKKPJ-QFIPXVFZSA-N 1 2 373.456 3.329 20 30 FGEDLO COc1cccc([C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)c1 ZINC000119185478 495112784 /nfs/dbraw/zinc/11/27/84/495112784.db2.gz CGYNLGNEUDCYLE-OAQYLSRUSA-N 1 2 352.434 3.409 20 30 FGEDLO COc1cccc([C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)c1 ZINC000119185478 495112786 /nfs/dbraw/zinc/11/27/86/495112786.db2.gz CGYNLGNEUDCYLE-OAQYLSRUSA-N 1 2 352.434 3.409 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000128569906 495117962 /nfs/dbraw/zinc/11/79/62/495117962.db2.gz NBPRJKSBBFMEPD-MRXNPFEDSA-N 1 2 353.491 3.458 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000134512499 495160941 /nfs/dbraw/zinc/16/09/41/495160941.db2.gz FKCXRZQHGUNFPF-KKSFZXQISA-N 1 2 357.498 3.276 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000134512499 495160945 /nfs/dbraw/zinc/16/09/45/495160945.db2.gz FKCXRZQHGUNFPF-KKSFZXQISA-N 1 2 357.498 3.276 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000103139707 495197107 /nfs/dbraw/zinc/19/71/07/495197107.db2.gz MUGFTTMCWUZZMN-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000103139707 495197110 /nfs/dbraw/zinc/19/71/10/495197110.db2.gz MUGFTTMCWUZZMN-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000134929052 495226042 /nfs/dbraw/zinc/22/60/42/495226042.db2.gz JVTKCBUQXPXTNT-UHFFFAOYSA-N 1 2 360.421 3.430 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000574419910 505768740 /nfs/dbraw/zinc/76/87/40/505768740.db2.gz AKQVPALLDCFZJO-HIFRSBDPSA-N 1 2 371.437 3.224 20 30 FGEDLO COc1cccc([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000138464148 495462590 /nfs/dbraw/zinc/46/25/90/495462590.db2.gz NLFYXGRUMYBPBD-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000571665968 505786133 /nfs/dbraw/zinc/78/61/33/505786133.db2.gz LQTAKFBKZRVZLE-CJNGLKHVSA-N 1 2 369.490 3.017 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000131207171 495506679 /nfs/dbraw/zinc/50/66/79/495506679.db2.gz XLQKSJJBYCTJAV-IBGZPJMESA-N 1 2 354.454 3.131 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000115535778 495513958 /nfs/dbraw/zinc/51/39/58/495513958.db2.gz GZXODIUIDBIAPD-NRFANRHFSA-N 1 2 374.419 3.494 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000115535778 495513960 /nfs/dbraw/zinc/51/39/60/495513960.db2.gz GZXODIUIDBIAPD-NRFANRHFSA-N 1 2 374.419 3.494 20 30 FGEDLO Cc1ccc(C)c(OC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115537172 495514308 /nfs/dbraw/zinc/51/43/08/495514308.db2.gz KFELDLBNZMLBEZ-NRFANRHFSA-N 1 2 363.461 3.245 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000176211448 495548540 /nfs/dbraw/zinc/54/85/40/495548540.db2.gz XWLVXKDLMAMOQR-LJQANCHMSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000176211448 495548543 /nfs/dbraw/zinc/54/85/43/495548543.db2.gz XWLVXKDLMAMOQR-LJQANCHMSA-N 1 2 372.465 3.178 20 30 FGEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182610722 495635301 /nfs/dbraw/zinc/63/53/01/495635301.db2.gz OYLHOYRQCDGGGM-LJQANCHMSA-N 1 2 364.405 3.094 20 30 FGEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182610722 495635305 /nfs/dbraw/zinc/63/53/05/495635305.db2.gz OYLHOYRQCDGGGM-LJQANCHMSA-N 1 2 364.405 3.094 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccc(Cl)c4)C3)n2c1 ZINC000185643811 495658856 /nfs/dbraw/zinc/65/88/56/495658856.db2.gz XLEFKKWUSSPESU-SFHVURJKSA-N 1 2 352.825 3.433 20 30 FGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154602997 495669013 /nfs/dbraw/zinc/66/90/13/495669013.db2.gz PGCGCHFBHQXEOU-GOSISDBHSA-N 1 2 363.383 3.420 20 30 FGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154602997 495669016 /nfs/dbraw/zinc/66/90/16/495669016.db2.gz PGCGCHFBHQXEOU-GOSISDBHSA-N 1 2 363.383 3.420 20 30 FGEDLO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000182837619 495722587 /nfs/dbraw/zinc/72/25/87/495722587.db2.gz RIAYAMIRBKYZEW-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000159550012 495757368 /nfs/dbraw/zinc/75/73/68/495757368.db2.gz VUVOMFJMIRBYDN-SFHVURJKSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000159550012 495757371 /nfs/dbraw/zinc/75/73/71/495757371.db2.gz VUVOMFJMIRBYDN-SFHVURJKSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(CN(C(=O)NCCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000171299387 495811206 /nfs/dbraw/zinc/81/12/06/495811206.db2.gz CIEWZJIXEGQZMF-UHFFFAOYSA-N 1 2 359.433 3.123 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180067066 495842873 /nfs/dbraw/zinc/84/28/73/495842873.db2.gz VSBOUOUVAMMZKC-HLLBOEOZSA-N 1 2 353.426 3.289 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000155135376 495848690 /nfs/dbraw/zinc/84/86/90/495848690.db2.gz ZSKXEKUGSKAVQF-UHFFFAOYSA-N 1 2 352.344 3.011 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180096939 495857030 /nfs/dbraw/zinc/85/70/30/495857030.db2.gz UGYOCPOXLGQBNF-HNNXBMFYSA-N 1 2 365.437 3.163 20 30 FGEDLO COc1cccc(C(N)=[NH+]OCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000174213575 495866763 /nfs/dbraw/zinc/86/67/63/495866763.db2.gz IETCAEFRSRYOFH-UHFFFAOYSA-N 1 2 355.438 3.403 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000180131030 495871763 /nfs/dbraw/zinc/87/17/63/495871763.db2.gz CJPUOYAAJFOQHC-UHFFFAOYSA-N 1 2 366.465 3.083 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000186288162 495930289 /nfs/dbraw/zinc/93/02/89/495930289.db2.gz CILSIGPURZILSX-SFHVURJKSA-N 1 2 368.525 3.028 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000186288162 495930294 /nfs/dbraw/zinc/93/02/94/495930294.db2.gz CILSIGPURZILSX-SFHVURJKSA-N 1 2 368.525 3.028 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1F ZINC000160753771 496035493 /nfs/dbraw/zinc/03/54/93/496035493.db2.gz QMQKTXDDEQRQPN-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1F ZINC000160753771 496035502 /nfs/dbraw/zinc/03/55/02/496035502.db2.gz QMQKTXDDEQRQPN-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000174725987 496078759 /nfs/dbraw/zinc/07/87/59/496078759.db2.gz YODJYCXOPGBXDM-SFHVURJKSA-N 1 2 364.440 3.437 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186713212 496117830 /nfs/dbraw/zinc/11/78/30/496117830.db2.gz GRXMWEVCYUWCQT-LHSJRXKWSA-N 1 2 365.433 3.227 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186713212 496117837 /nfs/dbraw/zinc/11/78/37/496117837.db2.gz GRXMWEVCYUWCQT-LHSJRXKWSA-N 1 2 365.433 3.227 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000152452314 496156785 /nfs/dbraw/zinc/15/67/85/496156785.db2.gz FBIQABCZZVNCJC-UHFFFAOYSA-N 1 2 371.387 3.229 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180964149 496221861 /nfs/dbraw/zinc/22/18/61/496221861.db2.gz XMZSSWFDBIUAIY-ZDUSSCGKSA-N 1 2 354.454 3.250 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000172313376 496249342 /nfs/dbraw/zinc/24/93/42/496249342.db2.gz CDOBEQIKZMFTDV-LIRRHRJNSA-N 1 2 353.853 3.468 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000172313376 496249347 /nfs/dbraw/zinc/24/93/47/496249347.db2.gz CDOBEQIKZMFTDV-LIRRHRJNSA-N 1 2 353.853 3.468 20 30 FGEDLO N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000175173892 496278688 /nfs/dbraw/zinc/27/86/88/496278688.db2.gz QKZOUTHTHVMYED-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000175173892 496278693 /nfs/dbraw/zinc/27/86/93/496278693.db2.gz QKZOUTHTHVMYED-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184212387 496288610 /nfs/dbraw/zinc/28/86/10/496288610.db2.gz SQJSFDZWYGVSLV-MAUKXSAKSA-N 1 2 355.438 3.482 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000184520116 496422064 /nfs/dbraw/zinc/42/20/64/496422064.db2.gz CPMAZUBFBYTQTL-BXUZGUMPSA-N 1 2 359.451 3.006 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000184530537 496425308 /nfs/dbraw/zinc/42/53/08/496425308.db2.gz LGXVNPAMRGLANY-PBHICJAKSA-N 1 2 359.401 3.031 20 30 FGEDLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000187427306 496436740 /nfs/dbraw/zinc/43/67/40/496436740.db2.gz CTAJWDLVUFRQIS-KRWDZBQOSA-N 1 2 363.870 3.100 20 30 FGEDLO N#CCC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccn1 ZINC000178387432 496437206 /nfs/dbraw/zinc/43/72/06/496437206.db2.gz ZBGYUWMYQXVVRP-UHFFFAOYSA-N 1 2 356.857 3.157 20 30 FGEDLO N#CCC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccn1 ZINC000178387432 496437210 /nfs/dbraw/zinc/43/72/10/496437210.db2.gz ZBGYUWMYQXVVRP-UHFFFAOYSA-N 1 2 356.857 3.157 20 30 FGEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157246053 496438096 /nfs/dbraw/zinc/43/80/96/496438096.db2.gz HBYZCRDMNWPIPS-UHFFFAOYSA-N 1 2 373.497 3.068 20 30 FGEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157246053 496438100 /nfs/dbraw/zinc/43/81/00/496438100.db2.gz HBYZCRDMNWPIPS-UHFFFAOYSA-N 1 2 373.497 3.068 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccco1 ZINC000184590353 496454915 /nfs/dbraw/zinc/45/49/15/496454915.db2.gz WZPQVYUCWQJWFO-FUHWJXTLSA-N 1 2 355.438 3.201 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153467291 496465421 /nfs/dbraw/zinc/46/54/21/496465421.db2.gz FWSLGOHBGIBMFX-SJLPKXTDSA-N 1 2 354.454 3.241 20 30 FGEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000571921604 505846032 /nfs/dbraw/zinc/84/60/32/505846032.db2.gz AAPGBWYGNYSWCN-UHFFFAOYSA-N 1 2 360.417 3.033 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(C)o1 ZINC000184666371 496485236 /nfs/dbraw/zinc/48/52/36/496485236.db2.gz LKNDWQULCGBVLQ-TWODHEICSA-N 1 2 361.486 3.185 20 30 FGEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1 ZINC000184807877 496539300 /nfs/dbraw/zinc/53/93/00/496539300.db2.gz JYVSFVWKMSKSFB-CQSZACIVSA-N 1 2 371.366 3.383 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000178923523 496618138 /nfs/dbraw/zinc/61/81/38/496618138.db2.gz WDBXSIZVXBWUIY-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000178923523 496618144 /nfs/dbraw/zinc/61/81/44/496618144.db2.gz WDBXSIZVXBWUIY-UHFFFAOYSA-N 1 2 374.893 3.121 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1Cl ZINC000153920687 496624470 /nfs/dbraw/zinc/62/44/70/496624470.db2.gz LOUWLGHRBZTKLF-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158300917 496671797 /nfs/dbraw/zinc/67/17/97/496671797.db2.gz VOQRTJOQAQEMJJ-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000158300917 496671804 /nfs/dbraw/zinc/67/18/04/496671804.db2.gz VOQRTJOQAQEMJJ-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO CCC1(CC)C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000185298160 496726248 /nfs/dbraw/zinc/72/62/48/496726248.db2.gz GOVZJAWOPJEUKC-AREMUKBSSA-N 1 2 370.522 3.082 20 30 FGEDLO CCC1(CC)C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000185298160 496726249 /nfs/dbraw/zinc/72/62/49/496726249.db2.gz GOVZJAWOPJEUKC-AREMUKBSSA-N 1 2 370.522 3.082 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000195167954 496840444 /nfs/dbraw/zinc/84/04/44/496840444.db2.gz DZDUVPVQTGTGDZ-HXUWFJFHSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000195167954 496840448 /nfs/dbraw/zinc/84/04/48/496840448.db2.gz DZDUVPVQTGTGDZ-HXUWFJFHSA-N 1 2 358.486 3.444 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc(OC)c1O ZINC000191744942 496875960 /nfs/dbraw/zinc/87/59/60/496875960.db2.gz ZTQQWPVLVZXQAZ-QGZVFWFLSA-N 1 2 359.495 3.153 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc(OC)c1O ZINC000191744942 496875965 /nfs/dbraw/zinc/87/59/65/496875965.db2.gz ZTQQWPVLVZXQAZ-QGZVFWFLSA-N 1 2 359.495 3.153 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273763432 496899461 /nfs/dbraw/zinc/89/94/61/496899461.db2.gz YKGKCNRBTPUDDN-LSDHHAIUSA-N 1 2 371.510 3.449 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277882642 496920382 /nfs/dbraw/zinc/92/03/82/496920382.db2.gz SNBROKMAOGHXKD-QZTJIDSGSA-N 1 2 351.454 3.285 20 30 FGEDLO N#CCC[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277882642 496920388 /nfs/dbraw/zinc/92/03/88/496920388.db2.gz SNBROKMAOGHXKD-QZTJIDSGSA-N 1 2 351.454 3.285 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000191917786 496930973 /nfs/dbraw/zinc/93/09/73/496930973.db2.gz NEHLFYZWQRYJKM-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000191917786 496930976 /nfs/dbraw/zinc/93/09/76/496930976.db2.gz NEHLFYZWQRYJKM-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO Cc1ccn2cc(CNC(=O)CCCCOc3cccc(C#N)c3)[nH+]c2c1 ZINC000264628437 496948257 /nfs/dbraw/zinc/94/82/57/496948257.db2.gz ASZMYEQEBOWTNW-UHFFFAOYSA-N 1 2 362.433 3.380 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000578169885 505877903 /nfs/dbraw/zinc/87/79/03/505877903.db2.gz JALHRPZNNUHIPL-AWEZNQCLSA-N 1 2 360.483 3.404 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000578169885 505877907 /nfs/dbraw/zinc/87/79/07/505877907.db2.gz JALHRPZNNUHIPL-AWEZNQCLSA-N 1 2 360.483 3.404 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192086568 496991193 /nfs/dbraw/zinc/99/11/93/496991193.db2.gz KNTHIAHHAXJVOT-LJQANCHMSA-N 1 2 372.472 3.467 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000192086568 496991197 /nfs/dbraw/zinc/99/11/97/496991197.db2.gz KNTHIAHHAXJVOT-LJQANCHMSA-N 1 2 372.472 3.467 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1=O ZINC000248476840 497024224 /nfs/dbraw/zinc/02/42/24/497024224.db2.gz YJASHPNXNIKAEW-IRXDYDNUSA-N 1 2 371.437 3.017 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1=O ZINC000248476840 497024227 /nfs/dbraw/zinc/02/42/27/497024227.db2.gz YJASHPNXNIKAEW-IRXDYDNUSA-N 1 2 371.437 3.017 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000192257374 497050818 /nfs/dbraw/zinc/05/08/18/497050818.db2.gz YKDIRFJTHOTFDE-MRXNPFEDSA-N 1 2 354.454 3.023 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCC(CCC#N)CC1)C2 ZINC000578189419 505882787 /nfs/dbraw/zinc/88/27/87/505882787.db2.gz QAXARWBISZHTQH-INIZCTEOSA-N 1 2 357.502 3.221 20 30 FGEDLO N#CCc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000189420339 497112373 /nfs/dbraw/zinc/11/23/73/497112373.db2.gz PINFXLSKIWEOJW-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO N#CCc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000189420339 497112383 /nfs/dbraw/zinc/11/23/83/497112383.db2.gz PINFXLSKIWEOJW-UHFFFAOYSA-N 1 2 353.853 3.194 20 30 FGEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000192475875 497126912 /nfs/dbraw/zinc/12/69/12/497126912.db2.gz JFEGVYWNXXNXPI-UHFFFAOYSA-N 1 2 371.456 3.063 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000574949530 505889176 /nfs/dbraw/zinc/88/91/76/505889176.db2.gz GETGZUXQNUXGIB-UHFFFAOYSA-N 1 2 366.465 3.283 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000574949530 505889180 /nfs/dbraw/zinc/88/91/80/505889180.db2.gz GETGZUXQNUXGIB-UHFFFAOYSA-N 1 2 366.465 3.283 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000278669991 497184380 /nfs/dbraw/zinc/18/43/80/497184380.db2.gz QZPRSZDCUQCXFO-TZMCWYRMSA-N 1 2 352.265 3.443 20 30 FGEDLO Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000252008395 497295345 /nfs/dbraw/zinc/29/53/45/497295345.db2.gz QGWGCBVKYMWHKU-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC000266342970 497310364 /nfs/dbraw/zinc/31/03/64/497310364.db2.gz BYGYLAZMSUWHQR-UHFFFAOYSA-N 1 2 374.366 3.325 20 30 FGEDLO CCc1cc(N)nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[nH+]1 ZINC000279055714 497319045 /nfs/dbraw/zinc/31/90/45/497319045.db2.gz HVGJOZBHBSMYAG-GFCCVEGCSA-N 1 2 373.457 3.188 20 30 FGEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000279068275 497323172 /nfs/dbraw/zinc/32/31/72/497323172.db2.gz ZWHAARDCSQKTHN-NSHDSACASA-N 1 2 374.432 3.497 20 30 FGEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000190108999 497360795 /nfs/dbraw/zinc/36/07/95/497360795.db2.gz ZKVIGWHVQRTVSG-NRFANRHFSA-N 1 2 350.462 3.396 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000266693254 497400132 /nfs/dbraw/zinc/40/01/32/497400132.db2.gz CPGOOFUOQLMECV-HNNXBMFYSA-N 1 2 358.442 3.338 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000266693254 497400134 /nfs/dbraw/zinc/40/01/34/497400134.db2.gz CPGOOFUOQLMECV-HNNXBMFYSA-N 1 2 358.442 3.338 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000245450813 497413879 /nfs/dbraw/zinc/41/38/79/497413879.db2.gz OYJYXYHXIMUVRB-KPFFTGBYSA-N 1 2 357.498 3.073 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000245450813 497413885 /nfs/dbraw/zinc/41/38/85/497413885.db2.gz OYJYXYHXIMUVRB-KPFFTGBYSA-N 1 2 357.498 3.073 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000569316302 505905976 /nfs/dbraw/zinc/90/59/76/505905976.db2.gz HRWUHYKDDOOVRG-INMHGKMJSA-N 1 2 373.522 3.376 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000569316302 505905981 /nfs/dbraw/zinc/90/59/81/505905981.db2.gz HRWUHYKDDOOVRG-INMHGKMJSA-N 1 2 373.522 3.376 20 30 FGEDLO COC1(C)CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000271786097 497449420 /nfs/dbraw/zinc/44/94/20/497449420.db2.gz TVJMJEZHFULGEY-UHFFFAOYSA-N 1 2 361.511 3.328 20 30 FGEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000193790932 497483346 /nfs/dbraw/zinc/48/33/46/497483346.db2.gz IEZLRTJWGDUVCJ-UHFFFAOYSA-N 1 2 374.444 3.449 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000279845273 497561827 /nfs/dbraw/zinc/56/18/27/497561827.db2.gz RKCKLMMMGDLKFN-FUHWJXTLSA-N 1 2 358.461 3.091 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1-c1ccccc1 ZINC000572222466 505918125 /nfs/dbraw/zinc/91/81/25/505918125.db2.gz LQXKEECMBJZZFP-UHFFFAOYSA-N 1 2 374.448 3.207 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1-c1ccccc1 ZINC000572222466 505918127 /nfs/dbraw/zinc/91/81/27/505918127.db2.gz LQXKEECMBJZZFP-UHFFFAOYSA-N 1 2 374.448 3.207 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000272480758 497640443 /nfs/dbraw/zinc/64/04/43/497640443.db2.gz BAKXDIWVYMXSKA-UHFFFAOYSA-N 1 2 363.465 3.314 20 30 FGEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194786248 497771198 /nfs/dbraw/zinc/77/11/98/497771198.db2.gz UZLWXRUBVGADIK-UHFFFAOYSA-N 1 2 351.406 3.321 20 30 FGEDLO CCc1csc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)n1 ZINC000329729492 497883198 /nfs/dbraw/zinc/88/31/98/497883198.db2.gz HPSMBSGORKYKRK-TZMCWYRMSA-N 1 2 359.499 3.080 20 30 FGEDLO CCc1csc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000329729492 497883202 /nfs/dbraw/zinc/88/32/02/497883202.db2.gz HPSMBSGORKYKRK-TZMCWYRMSA-N 1 2 359.499 3.080 20 30 FGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC(F)F)CC1 ZINC000280801136 497903553 /nfs/dbraw/zinc/90/35/53/497903553.db2.gz PLILIRJHNKTYRF-UHFFFAOYSA-N 1 2 374.353 3.150 20 30 FGEDLO CC[C@H](NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1c(C)nn(C)c1C ZINC000329797344 497903815 /nfs/dbraw/zinc/90/38/15/497903815.db2.gz FMBVCSQDGUZIPD-HNNXBMFYSA-N 1 2 372.517 3.317 20 30 FGEDLO C[C@]12CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]1C2(Cl)Cl ZINC000284879480 497929345 /nfs/dbraw/zinc/92/93/45/497929345.db2.gz SXYCHQBNRJLHSK-JMSVASOKSA-N 1 2 370.305 3.241 20 30 FGEDLO C[C@]12CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]1C2(Cl)Cl ZINC000284879480 497929340 /nfs/dbraw/zinc/92/93/40/497929340.db2.gz SXYCHQBNRJLHSK-JMSVASOKSA-N 1 2 370.305 3.241 20 30 FGEDLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000329861849 497931276 /nfs/dbraw/zinc/93/12/76/497931276.db2.gz YDVVBZCRDARCPK-JQHSSLGASA-N 1 2 359.470 3.160 20 30 FGEDLO CNC(=O)[C@H](NC(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC000329861849 497931280 /nfs/dbraw/zinc/93/12/80/497931280.db2.gz YDVVBZCRDARCPK-JQHSSLGASA-N 1 2 359.470 3.160 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccc2c(c1)CCCC2 ZINC000329904405 497946852 /nfs/dbraw/zinc/94/68/52/497946852.db2.gz JBROJAFRGKUCRZ-GSHUGGBRSA-N 1 2 372.509 3.463 20 30 FGEDLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccc2c(c1)CCCC2 ZINC000329904405 497946855 /nfs/dbraw/zinc/94/68/55/497946855.db2.gz JBROJAFRGKUCRZ-GSHUGGBRSA-N 1 2 372.509 3.463 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000329928765 497956219 /nfs/dbraw/zinc/95/62/19/497956219.db2.gz MVDDASFXAKLKHH-FOIQADDNSA-N 1 2 354.454 3.145 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000329928765 497956222 /nfs/dbraw/zinc/95/62/22/497956222.db2.gz MVDDASFXAKLKHH-FOIQADDNSA-N 1 2 354.454 3.145 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329940183 497961874 /nfs/dbraw/zinc/96/18/74/497961874.db2.gz BMDQBNUFVMEDEP-MJGOQNOKSA-N 1 2 369.513 3.250 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccc(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329956249 497969590 /nfs/dbraw/zinc/96/95/90/497969590.db2.gz LDQIJTPKWGNGNL-CZUORRHYSA-N 1 2 361.515 3.003 20 30 FGEDLO Cc1cc(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000301148845 497973024 /nfs/dbraw/zinc/97/30/24/497973024.db2.gz NOOOFFWOQFSBGJ-UHFFFAOYSA-N 1 2 356.861 3.155 20 30 FGEDLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329985734 497981483 /nfs/dbraw/zinc/98/14/83/497981483.db2.gz DOLXYOZPCHBZFL-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO COC1(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCC(C)CC1 ZINC000330007190 497988317 /nfs/dbraw/zinc/98/83/17/497988317.db2.gz DISDVRLUNBPFIG-UHFFFAOYSA-N 1 2 362.518 3.411 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281039381 497997240 /nfs/dbraw/zinc/99/72/40/497997240.db2.gz NURSKYVXYUYKBZ-KPFFTGBYSA-N 1 2 373.497 3.183 20 30 FGEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000330028303 497997233 /nfs/dbraw/zinc/99/72/33/497997233.db2.gz OHCGQQGOEVJODF-CVEARBPZSA-N 1 2 357.458 3.262 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@H]3C)n2)C1 ZINC000330067724 498009383 /nfs/dbraw/zinc/00/93/83/498009383.db2.gz URDFSVYGOYMPHC-ZIAGYGMSSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC(C)(C)[C@H]3C)n2)C1 ZINC000330067724 498009390 /nfs/dbraw/zinc/00/93/90/498009390.db2.gz URDFSVYGOYMPHC-ZIAGYGMSSA-N 1 2 366.531 3.420 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000330093200 498019230 /nfs/dbraw/zinc/01/92/30/498019230.db2.gz RLJQVNVFMXEAIA-QGZVFWFLSA-N 1 2 373.545 3.403 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000330104475 498023860 /nfs/dbraw/zinc/02/38/60/498023860.db2.gz GZSWEXVGICUJRF-VGOFRKELSA-N 1 2 374.525 3.363 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000330104475 498023867 /nfs/dbraw/zinc/02/38/67/498023867.db2.gz GZSWEXVGICUJRF-VGOFRKELSA-N 1 2 374.525 3.363 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C#N)cc2F)CC1 ZINC000292513025 498043257 /nfs/dbraw/zinc/04/32/57/498043257.db2.gz VRWWBVGPUXPSPG-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C#N)cc2F)CC1 ZINC000292513025 498043263 /nfs/dbraw/zinc/04/32/63/498043263.db2.gz VRWWBVGPUXPSPG-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(C)(C)c1ccc2c(c1)CN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330202031 498059264 /nfs/dbraw/zinc/05/92/64/498059264.db2.gz YTGQXBSGMBVTJI-SFHVURJKSA-N 1 2 352.482 3.468 20 30 FGEDLO CC(C)(C)c1ccc2c(c1)CN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330202031 498059267 /nfs/dbraw/zinc/05/92/67/498059267.db2.gz YTGQXBSGMBVTJI-SFHVURJKSA-N 1 2 352.482 3.468 20 30 FGEDLO O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330230260 498070332 /nfs/dbraw/zinc/07/03/32/498070332.db2.gz DJIIIRFCEZQBDH-UHFFFAOYSA-N 1 2 354.458 3.220 20 30 FGEDLO CN(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cn2c([nH+]1)CCCC2 ZINC000330234184 498073070 /nfs/dbraw/zinc/07/30/70/498073070.db2.gz GIJGQXKKPKROJW-QGZVFWFLSA-N 1 2 354.454 3.132 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000301367568 498077291 /nfs/dbraw/zinc/07/72/91/498077291.db2.gz OHGCKMLCLBPWCM-LJQANCHMSA-N 1 2 369.488 3.238 20 30 FGEDLO COc1ccc([C@H](NC(=O)N2CC3(C2)CCCC3)c2[nH+]ccn2C)cc1 ZINC000330264934 498085385 /nfs/dbraw/zinc/08/53/85/498085385.db2.gz YMYPNPVJUBGTLQ-KRWDZBQOSA-N 1 2 354.454 3.308 20 30 FGEDLO CCN1CCN(C(=O)NCC2(c3ccccc3)CCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330320540 498104612 /nfs/dbraw/zinc/10/46/12/498104612.db2.gz FGFMXQODLMMGEJ-GOSISDBHSA-N 1 2 367.497 3.124 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(C)cc3cccnc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330324198 498105497 /nfs/dbraw/zinc/10/54/97/498105497.db2.gz IGQCIWQJDXAQKL-QGZVFWFLSA-N 1 2 364.453 3.191 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H](C2CCCC2)C(F)(F)F)CCO1 ZINC000330332476 498107936 /nfs/dbraw/zinc/10/79/36/498107936.db2.gz OYHRLLPIPHPYLT-VHDGCEQUSA-N 1 2 374.407 3.265 20 30 FGEDLO CCc1nc2cc(NC(=O)N3CCN(CC)[C@@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000330335117 498108881 /nfs/dbraw/zinc/10/88/81/498108881.db2.gz RFWAXEJOFJGWAM-OAHLLOKOSA-N 1 2 368.441 3.038 20 30 FGEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)S1 ZINC000301512186 498142757 /nfs/dbraw/zinc/14/27/57/498142757.db2.gz FNTPIBPYWOPWJN-LLVKDONJSA-N 1 2 354.401 3.190 20 30 FGEDLO Cc1nc(N[C@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)ccc1C#N ZINC000569674654 505990176 /nfs/dbraw/zinc/99/01/76/505990176.db2.gz LRDXSFRHLKVUGP-HNNXBMFYSA-N 1 2 365.387 3.252 20 30 FGEDLO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1 ZINC000330702661 498176989 /nfs/dbraw/zinc/17/69/89/498176989.db2.gz PEIZAIRKGNPXKK-UHFFFAOYSA-N 1 2 374.529 3.225 20 30 FGEDLO CC(C)CNC(=O)c1cccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1 ZINC000330702661 498176995 /nfs/dbraw/zinc/17/69/95/498176995.db2.gz PEIZAIRKGNPXKK-UHFFFAOYSA-N 1 2 374.529 3.225 20 30 FGEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000330937605 498221758 /nfs/dbraw/zinc/22/17/58/498221758.db2.gz AQKPCNRBNCRYGJ-HNNXBMFYSA-N 1 2 360.502 3.080 20 30 FGEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000330937605 498221764 /nfs/dbraw/zinc/22/17/64/498221764.db2.gz AQKPCNRBNCRYGJ-HNNXBMFYSA-N 1 2 360.502 3.080 20 30 FGEDLO C#CCOc1ccc(CNC(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000296942888 498259384 /nfs/dbraw/zinc/25/93/84/498259384.db2.gz GYPVTTKKZWHGHZ-UHFFFAOYSA-N 1 2 368.481 3.079 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296943433 498260443 /nfs/dbraw/zinc/26/04/43/498260443.db2.gz PIUWBKSSGKHDDV-INIZCTEOSA-N 1 2 356.401 3.186 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1C ZINC000286247930 498338623 /nfs/dbraw/zinc/33/86/23/498338623.db2.gz SCGTWYADHYWXPR-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1C ZINC000286247930 498338630 /nfs/dbraw/zinc/33/86/30/498338630.db2.gz SCGTWYADHYWXPR-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000365280576 498385024 /nfs/dbraw/zinc/38/50/24/498385024.db2.gz BBVKPCGBFOZHML-UHFFFAOYSA-N 1 2 373.460 3.137 20 30 FGEDLO C=CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000290530192 498586929 /nfs/dbraw/zinc/58/69/29/498586929.db2.gz VFOWUIGQLVOTLG-WSYSLRRZSA-N 1 2 371.449 3.366 20 30 FGEDLO C=CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000290530192 498586934 /nfs/dbraw/zinc/58/69/34/498586934.db2.gz VFOWUIGQLVOTLG-WSYSLRRZSA-N 1 2 371.449 3.366 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nc3scc(C4CC4)n23)n1 ZINC000298057161 498652874 /nfs/dbraw/zinc/65/28/74/498652874.db2.gz JPTMUUNRCTUTPO-UHFFFAOYSA-N 1 2 353.495 3.433 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nc3scc(C4CC4)n23)n1 ZINC000298057161 498652884 /nfs/dbraw/zinc/65/28/84/498652884.db2.gz JPTMUUNRCTUTPO-UHFFFAOYSA-N 1 2 353.495 3.433 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000365841548 498665698 /nfs/dbraw/zinc/66/56/98/498665698.db2.gz UWNNUQGOTLOGSI-HNNXBMFYSA-N 1 2 373.522 3.374 20 30 FGEDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000290849309 498699514 /nfs/dbraw/zinc/69/95/14/498699514.db2.gz IYAWYZQTLPPUEO-HNNXBMFYSA-N 1 2 357.458 3.195 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cscc1C(F)(F)F ZINC000579063294 506084765 /nfs/dbraw/zinc/08/47/65/506084765.db2.gz YIGFXYZWBLMHPG-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cscc1C(F)(F)F ZINC000579063294 506084766 /nfs/dbraw/zinc/08/47/66/506084766.db2.gz YIGFXYZWBLMHPG-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]2)CC1 ZINC000294649991 498761747 /nfs/dbraw/zinc/76/17/47/498761747.db2.gz YJWIOKKMMGHXTI-OAQYLSRUSA-N 1 2 352.482 3.408 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000298512131 498797432 /nfs/dbraw/zinc/79/74/32/498797432.db2.gz QVOBICBGPNJPIT-UHFFFAOYSA-N 1 2 352.438 3.430 20 30 FGEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283362138 498862845 /nfs/dbraw/zinc/86/28/45/498862845.db2.gz SZOYAETZJNZNOF-UHFFFAOYSA-N 1 2 370.501 3.049 20 30 FGEDLO FC(F)c1nc(C2([NH2+]CCOCC(F)(F)C(F)(F)F)CCC2)no1 ZINC000366313265 498870443 /nfs/dbraw/zinc/87/04/43/498870443.db2.gz OYUABVOJPPSNIS-UHFFFAOYSA-N 1 2 365.249 3.190 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)cc1 ZINC000576183518 506096110 /nfs/dbraw/zinc/09/61/10/506096110.db2.gz UXFRXPIHGFWQEZ-HZCBDIJESA-N 1 2 374.488 3.332 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000328658925 498892766 /nfs/dbraw/zinc/89/27/66/498892766.db2.gz RXIZUIFBNMGRPJ-WMZOPIPTSA-N 1 2 372.444 3.196 20 30 FGEDLO CC(C)(C(=O)NCc1ccnc(OC2CCCCC2)c1)[NH+]1CCOCC1 ZINC000328681277 498901195 /nfs/dbraw/zinc/90/11/95/498901195.db2.gz OCLUNVGPQYRTMU-UHFFFAOYSA-N 1 2 361.486 3.360 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000570178115 506109091 /nfs/dbraw/zinc/10/90/91/506109091.db2.gz CVECFIDZRKNQSA-FQEVSTJZSA-N 1 2 374.488 3.133 20 30 FGEDLO CC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCOCC1 ZINC000328789113 498939154 /nfs/dbraw/zinc/93/91/54/498939154.db2.gz PRISGXYVKJCEJR-INIZCTEOSA-N 1 2 362.474 3.383 20 30 FGEDLO CC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCOCC1 ZINC000328789113 498939158 /nfs/dbraw/zinc/93/91/58/498939158.db2.gz PRISGXYVKJCEJR-INIZCTEOSA-N 1 2 362.474 3.383 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H](C2CCOCC2)C1 ZINC000328837127 498956677 /nfs/dbraw/zinc/95/66/77/498956677.db2.gz MYOGQZIEDPHXFT-AWEZNQCLSA-N 1 2 362.861 3.150 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnc3c(cnn3CC(C)C)c1)CCC2 ZINC000328851075 498961623 /nfs/dbraw/zinc/96/16/23/498961623.db2.gz WOPFBJDAIYFPQC-OAHLLOKOSA-N 1 2 366.469 3.474 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@](C)(O)C2CC2)c2ccc(Cl)cc2)C1 ZINC000329051247 499026788 /nfs/dbraw/zinc/02/67/88/499026788.db2.gz RILCHYOHRSJPIQ-UHOSZYNNSA-N 1 2 366.889 3.219 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@](C)(O)C2CC2)c2ccc(Cl)cc2)C1 ZINC000329051247 499026792 /nfs/dbraw/zinc/02/67/92/499026792.db2.gz RILCHYOHRSJPIQ-UHOSZYNNSA-N 1 2 366.889 3.219 20 30 FGEDLO C[C@H]1CC(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C[C@H](C)O1 ZINC000329081525 499035739 /nfs/dbraw/zinc/03/57/39/499035739.db2.gz DDIIJNJAVAYGIE-STQMWFEESA-N 1 2 358.442 3.191 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CCOCC1 ZINC000329082561 499037046 /nfs/dbraw/zinc/03/70/46/499037046.db2.gz SFWLVRJDHNDSGA-DZJNRPSUSA-N 1 2 360.502 3.360 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000579244500 506128153 /nfs/dbraw/zinc/12/81/53/506128153.db2.gz OMHKEEAEYRVHPO-IBGZPJMESA-N 1 2 351.450 3.164 20 30 FGEDLO O=C(NCCNc1ncc(Cl)cc1Cl)C1([NH+]2CCOCC2)CCC1 ZINC000329087108 499038342 /nfs/dbraw/zinc/03/83/42/499038342.db2.gz HDHGOZYYWSOCER-UHFFFAOYSA-N 1 2 373.284 3.012 20 30 FGEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000284098873 499048065 /nfs/dbraw/zinc/04/80/65/499048065.db2.gz LDNRCZMKLNABKB-BXKDBHETSA-N 1 2 370.331 3.284 20 30 FGEDLO COCC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329177822 499064373 /nfs/dbraw/zinc/06/43/73/499064373.db2.gz NHJWNWXAWHXEGZ-OAHLLOKOSA-N 1 2 362.518 3.158 20 30 FGEDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000329213519 499074119 /nfs/dbraw/zinc/07/41/19/499074119.db2.gz JPCXEPPDWVPDJB-CQSZACIVSA-N 1 2 373.316 3.202 20 30 FGEDLO Cc1nc(-c2ccc(NC(=O)[C@H](C)[NH+]3CCSCC3)cc2Cl)n[nH]1 ZINC000329212177 499074527 /nfs/dbraw/zinc/07/45/27/499074527.db2.gz HPZQWGGCFDAXHP-JTQLQIEISA-N 1 2 365.890 3.459 20 30 FGEDLO O=C(Nc1ccccc1O[C@H]1CCOC1)C1CC[NH+](CC(F)F)CC1 ZINC000329220092 499075460 /nfs/dbraw/zinc/07/54/60/499075460.db2.gz SWAKXXYPYAIVKR-AWEZNQCLSA-N 1 2 354.397 3.419 20 30 FGEDLO CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C(C)(C)O1 ZINC000329254553 499084720 /nfs/dbraw/zinc/08/47/20/499084720.db2.gz WXNMTTVAJORIOK-MRXNPFEDSA-N 1 2 360.502 3.422 20 30 FGEDLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+]C12CCN(c1ccc(C#N)cc1)CC2 ZINC000333935184 499101060 /nfs/dbraw/zinc/10/10/60/499101060.db2.gz JGCCTIPMOGVIIT-UHFFFAOYSA-N 1 2 354.498 3.111 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329342445 499103513 /nfs/dbraw/zinc/10/35/13/499103513.db2.gz SOTSXRJGOLCQGP-QRTARXTBSA-N 1 2 374.428 3.064 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329342445 499103515 /nfs/dbraw/zinc/10/35/15/499103515.db2.gz SOTSXRJGOLCQGP-QRTARXTBSA-N 1 2 374.428 3.064 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892623 499108336 /nfs/dbraw/zinc/10/83/36/499108336.db2.gz KLYRTVMNWBGQTK-MOPGFXCFSA-N 1 2 366.465 3.009 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc(-c3cccc(OC)c3)c[nH]2)C1=O ZINC000366892623 499108338 /nfs/dbraw/zinc/10/83/38/499108338.db2.gz KLYRTVMNWBGQTK-MOPGFXCFSA-N 1 2 366.465 3.009 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC000329368714 499109874 /nfs/dbraw/zinc/10/98/74/499109874.db2.gz HZTHYSGMRLUQDS-ZDUSSCGKSA-N 1 2 368.437 3.481 20 30 FGEDLO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329405929 499115824 /nfs/dbraw/zinc/11/58/24/499115824.db2.gz BZASAOVFFKAPHB-FZCLSBEQSA-N 1 2 358.486 3.017 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)c1ccccc1 ZINC000329403218 499115833 /nfs/dbraw/zinc/11/58/33/499115833.db2.gz CBBQIISPQJZFKD-HXUWFJFHSA-N 1 2 355.482 3.214 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1)c1ccccc1 ZINC000329403218 499115836 /nfs/dbraw/zinc/11/58/36/499115836.db2.gz CBBQIISPQJZFKD-HXUWFJFHSA-N 1 2 355.482 3.214 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH]1 ZINC000329436349 499121772 /nfs/dbraw/zinc/12/17/72/499121772.db2.gz JVYUSJLHZXXWIE-NSHDSACASA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH]1 ZINC000329436349 499121773 /nfs/dbraw/zinc/12/17/73/499121773.db2.gz JVYUSJLHZXXWIE-NSHDSACASA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329436349 499121776 /nfs/dbraw/zinc/12/17/76/499121776.db2.gz JVYUSJLHZXXWIE-NSHDSACASA-N 1 2 353.879 3.164 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000329436349 499121779 /nfs/dbraw/zinc/12/17/79/499121779.db2.gz JVYUSJLHZXXWIE-NSHDSACASA-N 1 2 353.879 3.164 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)C1CCOCC1 ZINC000329476245 499126784 /nfs/dbraw/zinc/12/67/84/499126784.db2.gz NWCSACCTFOJBRB-SQWLQELKSA-N 1 2 366.531 3.111 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCOCC2(CC2)C1)c1ccc2c(c1)OCCO2 ZINC000329477010 499126828 /nfs/dbraw/zinc/12/68/28/499126828.db2.gz UIZWOBVAYSTTKV-FQEVSTJZSA-N 1 2 374.481 3.224 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCOCC2(CC2)C1)c1ccc2c(c1)OCCO2 ZINC000329477010 499126829 /nfs/dbraw/zinc/12/68/29/499126829.db2.gz UIZWOBVAYSTTKV-FQEVSTJZSA-N 1 2 374.481 3.224 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329488980 499127812 /nfs/dbraw/zinc/12/78/12/499127812.db2.gz YFPSYYUNXMFAEP-MRXNPFEDSA-N 1 2 365.481 3.280 20 30 FGEDLO Cc1nc(C2CC2)oc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329497425 499128038 /nfs/dbraw/zinc/12/80/38/499128038.db2.gz GHZYCYDAVKXKFO-UHFFFAOYSA-N 1 2 367.409 3.210 20 30 FGEDLO C[C@@H]1COCCN1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498747 499128287 /nfs/dbraw/zinc/12/82/87/499128287.db2.gz XXZHXHXMXZBCDP-AEFFLSMTSA-N 1 2 374.529 3.170 20 30 FGEDLO COc1ccccc1-n1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367228931 499165410 /nfs/dbraw/zinc/16/54/10/499165410.db2.gz CXEHLBFDVMWRCV-UHFFFAOYSA-N 1 2 373.460 3.333 20 30 FGEDLO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)cnn1C ZINC000367269150 499171221 /nfs/dbraw/zinc/17/12/21/499171221.db2.gz FJKJKCWQTUNEPE-KRWDZBQOSA-N 1 2 369.494 3.120 20 30 FGEDLO Cc1c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)cnn1C ZINC000367269150 499171224 /nfs/dbraw/zinc/17/12/24/499171224.db2.gz FJKJKCWQTUNEPE-KRWDZBQOSA-N 1 2 369.494 3.120 20 30 FGEDLO Cc1cnn(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000370205407 499197315 /nfs/dbraw/zinc/19/73/15/499197315.db2.gz AAWMKYBOLQTRGP-UHFFFAOYSA-N 1 2 357.483 3.017 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000370481957 499224726 /nfs/dbraw/zinc/22/47/26/499224726.db2.gz ALXGSBRMMSAYGD-QRWLVFNGSA-N 1 2 353.372 3.470 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000370481957 499224727 /nfs/dbraw/zinc/22/47/27/499224727.db2.gz ALXGSBRMMSAYGD-QRWLVFNGSA-N 1 2 353.372 3.470 20 30 FGEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000367932678 499247053 /nfs/dbraw/zinc/24/70/53/499247053.db2.gz QULSHCURUSVOQA-GOSISDBHSA-N 1 2 368.437 3.226 20 30 FGEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000367932678 499247055 /nfs/dbraw/zinc/24/70/55/499247055.db2.gz QULSHCURUSVOQA-GOSISDBHSA-N 1 2 368.437 3.226 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cs1 ZINC000370858157 499263123 /nfs/dbraw/zinc/26/31/23/499263123.db2.gz BNWCLHFZQNOFON-UHFFFAOYSA-N 1 2 368.506 3.120 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cs1 ZINC000370858157 499263125 /nfs/dbraw/zinc/26/31/25/499263125.db2.gz BNWCLHFZQNOFON-UHFFFAOYSA-N 1 2 368.506 3.120 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cs1 ZINC000371037165 499282465 /nfs/dbraw/zinc/28/24/65/499282465.db2.gz QLYMLLRBAUVUHB-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cs1 ZINC000371037165 499282466 /nfs/dbraw/zinc/28/24/66/499282466.db2.gz QLYMLLRBAUVUHB-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000368513418 499303501 /nfs/dbraw/zinc/30/35/01/499303501.db2.gz DOTZHHORIKJEQV-UHFFFAOYSA-N 1 2 353.397 3.186 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000369347943 499394361 /nfs/dbraw/zinc/39/43/61/499394361.db2.gz YXHBBPCTLMTROG-MRXNPFEDSA-N 1 2 369.465 3.186 20 30 FGEDLO COc1ccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1OCCCC#N ZINC000372124181 499401106 /nfs/dbraw/zinc/40/11/06/499401106.db2.gz JYGFTIMYRZIGMB-GOSISDBHSA-N 1 2 362.470 3.004 20 30 FGEDLO COc1ccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1OCCCC#N ZINC000372124181 499401107 /nfs/dbraw/zinc/40/11/07/499401107.db2.gz JYGFTIMYRZIGMB-GOSISDBHSA-N 1 2 362.470 3.004 20 30 FGEDLO CCCc1nc([C@@H](NCc2c[nH+]c3ccc(C#N)cn23)c2ccccc2)no1 ZINC000369477524 499407169 /nfs/dbraw/zinc/40/71/69/499407169.db2.gz ARZIAHRIFOWFFU-FQEVSTJZSA-N 1 2 372.432 3.421 20 30 FGEDLO CCOc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491901 499408563 /nfs/dbraw/zinc/40/85/63/499408563.db2.gz SYWUHMDMWNZOJQ-BTYIYWSLSA-N 1 2 365.408 3.070 20 30 FGEDLO CCOc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491901 499408564 /nfs/dbraw/zinc/40/85/64/499408564.db2.gz SYWUHMDMWNZOJQ-BTYIYWSLSA-N 1 2 365.408 3.070 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000372392591 499428020 /nfs/dbraw/zinc/42/80/20/499428020.db2.gz WZANVXDJCXGLRV-UHFFFAOYSA-N 1 2 358.449 3.056 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000372392591 499428022 /nfs/dbraw/zinc/42/80/22/499428022.db2.gz WZANVXDJCXGLRV-UHFFFAOYSA-N 1 2 358.449 3.056 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107378 499451863 /nfs/dbraw/zinc/45/18/63/499451863.db2.gz RYOIVIUBTVDTSQ-WMLDXEAASA-N 1 2 365.355 3.348 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107378 499451864 /nfs/dbraw/zinc/45/18/64/499451864.db2.gz RYOIVIUBTVDTSQ-WMLDXEAASA-N 1 2 365.355 3.348 20 30 FGEDLO CN1c2ccc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2CCC1=O ZINC000373582733 499478039 /nfs/dbraw/zinc/47/80/39/499478039.db2.gz HRSQTCSGIBDTFR-NRFANRHFSA-N 1 2 361.445 3.041 20 30 FGEDLO CN1c2ccc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2CCC1=O ZINC000373582733 499478040 /nfs/dbraw/zinc/47/80/40/499478040.db2.gz HRSQTCSGIBDTFR-NRFANRHFSA-N 1 2 361.445 3.041 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000373644287 499481617 /nfs/dbraw/zinc/48/16/17/499481617.db2.gz LEUBBZBNMADBPW-HNNXBMFYSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000373644287 499481618 /nfs/dbraw/zinc/48/16/18/499481618.db2.gz LEUBBZBNMADBPW-HNNXBMFYSA-N 1 2 359.861 3.394 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000373783445 499487700 /nfs/dbraw/zinc/48/77/00/499487700.db2.gz QMMWBOQOPVDESH-SFHVURJKSA-N 1 2 367.453 3.090 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000375256976 499499837 /nfs/dbraw/zinc/49/98/37/499499837.db2.gz CBUBGTKEMBOWMF-OXQOHEQNSA-N 1 2 360.461 3.217 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000378355420 499506093 /nfs/dbraw/zinc/50/60/93/499506093.db2.gz OKFAGZRWBIILDG-UHFFFAOYSA-N 1 2 355.401 3.068 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C#N)c1C ZINC000378354277 499506314 /nfs/dbraw/zinc/50/63/14/499506314.db2.gz INFPDDVWNHPBKF-UHFFFAOYSA-N 1 2 360.417 3.368 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C#N)c1C ZINC000378354277 499506316 /nfs/dbraw/zinc/50/63/16/499506316.db2.gz INFPDDVWNHPBKF-UHFFFAOYSA-N 1 2 360.417 3.368 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@]23CCOC3)sc2c1CCCCC2 ZINC000375326310 499507415 /nfs/dbraw/zinc/50/74/15/499507415.db2.gz KEAXXRHCNPIIDK-LJQANCHMSA-N 1 2 359.495 3.082 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@]23CCOC3)sc2c1CCCCC2 ZINC000375326310 499507417 /nfs/dbraw/zinc/50/74/17/499507417.db2.gz KEAXXRHCNPIIDK-LJQANCHMSA-N 1 2 359.495 3.082 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000378368268 499507875 /nfs/dbraw/zinc/50/78/75/499507875.db2.gz GJCNTTFYUGHYHV-SFHVURJKSA-N 1 2 352.438 3.205 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000378533248 499529133 /nfs/dbraw/zinc/52/91/33/499529133.db2.gz AEPSZBVCIQVTJV-IBGZPJMESA-N 1 2 366.465 3.432 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000378533248 499529135 /nfs/dbraw/zinc/52/91/35/499529135.db2.gz AEPSZBVCIQVTJV-IBGZPJMESA-N 1 2 366.465 3.432 20 30 FGEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000375975578 499573101 /nfs/dbraw/zinc/57/31/01/499573101.db2.gz RPOAQRBUROKIRY-HNNXBMFYSA-N 1 2 351.372 3.436 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000376734349 499633154 /nfs/dbraw/zinc/63/31/54/499633154.db2.gz AFFGTFRUVKSYKE-UHFFFAOYSA-N 1 2 361.424 3.464 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cscc3C#N)CCCC2)no1 ZINC000410557171 499667753 /nfs/dbraw/zinc/66/77/53/499667753.db2.gz MCWXKHTZAFWSBP-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411192508 499709399 /nfs/dbraw/zinc/70/93/99/499709399.db2.gz NADPFBMTSDOCIO-UHFFFAOYSA-N 1 2 355.413 3.299 20 30 FGEDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCCC1 ZINC000411268624 499719274 /nfs/dbraw/zinc/71/92/74/499719274.db2.gz AFTUDNBMXZTADL-UHFFFAOYSA-N 1 2 363.845 3.006 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[S@](=O)Cc3cn4ccccc4[nH+]3)o2)cc1 ZINC000378040703 499755836 /nfs/dbraw/zinc/75/58/36/499755836.db2.gz GGHRYDCBXWUTJQ-AREMUKBSSA-N 1 2 362.414 3.310 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000378179494 499762390 /nfs/dbraw/zinc/76/23/90/499762390.db2.gz JJALIUNCXICHOW-OAHLLOKOSA-N 1 2 350.422 3.361 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414171225 499765378 /nfs/dbraw/zinc/76/53/78/499765378.db2.gz XFMTVOIWQTVLPY-GFCCVEGCSA-N 1 2 370.293 3.309 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414171225 499765379 /nfs/dbraw/zinc/76/53/79/499765379.db2.gz XFMTVOIWQTVLPY-GFCCVEGCSA-N 1 2 370.293 3.309 20 30 FGEDLO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413031178 499905239 /nfs/dbraw/zinc/90/52/39/499905239.db2.gz WSOKDFNCGMEBHZ-KRWDZBQOSA-N 1 2 372.450 3.322 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000413402947 499949480 /nfs/dbraw/zinc/94/94/80/499949480.db2.gz KBKUGHYUTKUBQX-RBUKOAKNSA-N 1 2 350.466 3.147 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428932036 499961391 /nfs/dbraw/zinc/96/13/91/499961391.db2.gz PLPPMZJSCKBQRY-XEZPLFJOSA-N 1 2 356.388 3.158 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428932036 499961396 /nfs/dbraw/zinc/96/13/96/499961396.db2.gz PLPPMZJSCKBQRY-XEZPLFJOSA-N 1 2 356.388 3.158 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000576475694 506167650 /nfs/dbraw/zinc/16/76/50/506167650.db2.gz KKHNQPAVKHPJMM-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccn3)C2)c(C#N)c1C ZINC000576475694 506167655 /nfs/dbraw/zinc/16/76/55/506167655.db2.gz KKHNQPAVKHPJMM-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413580111 499996050 /nfs/dbraw/zinc/99/60/50/499996050.db2.gz PHLXMHNUJSPPNQ-BHIYHBOVSA-N 1 2 352.482 3.283 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413580111 499996053 /nfs/dbraw/zinc/99/60/53/499996053.db2.gz PHLXMHNUJSPPNQ-BHIYHBOVSA-N 1 2 352.482 3.283 20 30 FGEDLO CC(C)([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000429235810 500029762 /nfs/dbraw/zinc/02/97/62/500029762.db2.gz KBKLULMWQVAMMX-UHFFFAOYSA-N 1 2 352.316 3.028 20 30 FGEDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1cn2ccccc2c1C#N ZINC000429400289 500069898 /nfs/dbraw/zinc/06/98/98/500069898.db2.gz YDYQMRIVGKPJDB-HOTGVXAUSA-N 1 2 352.482 3.278 20 30 FGEDLO CC(C)n1c[nH+]cc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000425332112 500077012 /nfs/dbraw/zinc/07/70/12/500077012.db2.gz CCIOOWWRYLBRIR-IBGZPJMESA-N 1 2 357.889 3.500 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548058 500141322 /nfs/dbraw/zinc/14/13/22/500141322.db2.gz GDMAQYHKESXIJC-RBUKOAKNSA-N 1 2 354.450 3.053 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548058 500141325 /nfs/dbraw/zinc/14/13/25/500141325.db2.gz GDMAQYHKESXIJC-RBUKOAKNSA-N 1 2 354.450 3.053 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)CNc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000426439473 500272204 /nfs/dbraw/zinc/27/22/04/500272204.db2.gz IAVKCFSAIHYQNZ-INIZCTEOSA-N 1 2 364.449 3.002 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000426650198 500300699 /nfs/dbraw/zinc/30/06/99/500300699.db2.gz AEVDWNNQUVXSFW-UHFFFAOYSA-N 1 2 373.185 3.038 20 30 FGEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000419262907 500347264 /nfs/dbraw/zinc/34/72/64/500347264.db2.gz UIJVPRPCUFQKKN-TUKIKUTGSA-N 1 2 351.244 3.335 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419642528 500387360 /nfs/dbraw/zinc/38/73/60/500387360.db2.gz MDFOOWSDLIPXOW-UHFFFAOYSA-N 1 2 360.889 3.170 20 30 FGEDLO C=CCC[C@H]1NC(=O)N([C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000419954067 500409977 /nfs/dbraw/zinc/40/99/77/500409977.db2.gz PYSLERLYEUOCFJ-MSOLQXFVSA-N 1 2 352.438 3.128 20 30 FGEDLO C=CCC[C@@H]1NC(=O)N([C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000419954078 500410020 /nfs/dbraw/zinc/41/00/20/500410020.db2.gz PYSLERLYEUOCFJ-ZWKOTPCHSA-N 1 2 352.438 3.128 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427996216 500456176 /nfs/dbraw/zinc/45/61/76/500456176.db2.gz NDUIETPYZUVVNM-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO CC[N@H+](CCCNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000432040860 500459169 /nfs/dbraw/zinc/45/91/69/500459169.db2.gz ISVJCKXOGLEONR-UHFFFAOYSA-N 1 2 350.466 3.271 20 30 FGEDLO CC[N@@H+](CCCNC(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1 ZINC000432040860 500459170 /nfs/dbraw/zinc/45/91/70/500459170.db2.gz ISVJCKXOGLEONR-UHFFFAOYSA-N 1 2 350.466 3.271 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428472829 500514498 /nfs/dbraw/zinc/51/44/98/500514498.db2.gz JYLYGNKABWSWNQ-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428472829 500514502 /nfs/dbraw/zinc/51/45/02/500514502.db2.gz JYLYGNKABWSWNQ-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420924629 500531996 /nfs/dbraw/zinc/53/19/96/500531996.db2.gz KGKOPWFDGXXJNG-JSGCOSHPSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420924629 500531997 /nfs/dbraw/zinc/53/19/97/500531997.db2.gz KGKOPWFDGXXJNG-JSGCOSHPSA-N 1 2 363.483 3.000 20 30 FGEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126165 500605325 /nfs/dbraw/zinc/60/53/25/500605325.db2.gz RDTKCGDCBNFQBI-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126165 500605326 /nfs/dbraw/zinc/60/53/26/500605326.db2.gz RDTKCGDCBNFQBI-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)on2)c1 ZINC000447541691 500620810 /nfs/dbraw/zinc/62/08/10/500620810.db2.gz MTYOJMDARJBLSS-UHFFFAOYSA-N 1 2 369.384 3.329 20 30 FGEDLO C=C[C@H](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442841403 500633115 /nfs/dbraw/zinc/63/31/15/500633115.db2.gz MOIFYWNKIMLGCF-VGSWGCGISA-N 1 2 372.509 3.269 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437791293 500696278 /nfs/dbraw/zinc/69/62/78/500696278.db2.gz ZTAMTZMVNHTIBR-SXLOBPIMSA-N 1 2 357.498 3.026 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437791293 500696280 /nfs/dbraw/zinc/69/62/80/500696280.db2.gz ZTAMTZMVNHTIBR-SXLOBPIMSA-N 1 2 357.498 3.026 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000443465698 500727781 /nfs/dbraw/zinc/72/77/81/500727781.db2.gz OIUHFGLPPATTEN-UHFFFAOYSA-N 1 2 362.437 3.042 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434492317 500850974 /nfs/dbraw/zinc/85/09/74/500850974.db2.gz GNXGDUVPBBKIMN-UHFFFAOYSA-N 1 2 372.465 3.293 20 30 FGEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)cc1OC ZINC000434837964 500899957 /nfs/dbraw/zinc/89/99/57/500899957.db2.gz IGXVABLRSUPUJY-UHFFFAOYSA-N 1 2 371.437 3.246 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)cc1OC ZINC000434837964 500899961 /nfs/dbraw/zinc/89/99/61/500899961.db2.gz IGXVABLRSUPUJY-UHFFFAOYSA-N 1 2 371.437 3.246 20 30 FGEDLO C=CC[C@H]1N(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCC1(C)C ZINC000444876381 500915562 /nfs/dbraw/zinc/91/55/62/500915562.db2.gz BEAOGPDFEKXPFS-GOSISDBHSA-N 1 2 372.513 3.195 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1OC ZINC000449526452 501025781 /nfs/dbraw/zinc/02/57/81/501025781.db2.gz DUWJXANQCVTMTQ-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1OC ZINC000449526452 501025783 /nfs/dbraw/zinc/02/57/83/501025783.db2.gz DUWJXANQCVTMTQ-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1c(F)cccc1F ZINC000435927877 501047544 /nfs/dbraw/zinc/04/75/44/501047544.db2.gz NVFNRFIEBWUQEQ-QFBILLFUSA-N 1 2 371.431 3.456 20 30 FGEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)Cc2ccccc21 ZINC000441120926 501090483 /nfs/dbraw/zinc/09/04/83/501090483.db2.gz XATDAUNCFNHTEY-LJQANCHMSA-N 1 2 350.418 3.229 20 30 FGEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)Cc2ccccc21 ZINC000441120926 501090485 /nfs/dbraw/zinc/09/04/85/501090485.db2.gz XATDAUNCFNHTEY-LJQANCHMSA-N 1 2 350.418 3.229 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000449952478 501135239 /nfs/dbraw/zinc/13/52/39/501135239.db2.gz OBGWBERCGPHTSD-SFHVURJKSA-N 1 2 372.419 3.084 20 30 FGEDLO C=CCC1(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCCCC1 ZINC000457669064 501283024 /nfs/dbraw/zinc/28/30/24/501283024.db2.gz WRBVNLZOFNYDHJ-KRWDZBQOSA-N 1 2 372.513 3.385 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000457723994 501294713 /nfs/dbraw/zinc/29/47/13/501294713.db2.gz DIKCOZCZASASOD-HKUYNNGSSA-N 1 2 362.901 3.186 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000457723994 501294715 /nfs/dbraw/zinc/29/47/15/501294715.db2.gz DIKCOZCZASASOD-HKUYNNGSSA-N 1 2 362.901 3.186 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546799 501318946 /nfs/dbraw/zinc/31/89/46/501318946.db2.gz JWLXYTCROUSEDG-HNNXBMFYSA-N 1 2 370.434 3.346 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546799 501318948 /nfs/dbraw/zinc/31/89/48/501318948.db2.gz JWLXYTCROUSEDG-HNNXBMFYSA-N 1 2 370.434 3.346 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F ZINC000611674009 506251155 /nfs/dbraw/zinc/25/11/55/506251155.db2.gz RILNPLVQRJQOMY-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)ccc1F ZINC000611674009 506251162 /nfs/dbraw/zinc/25/11/62/506251162.db2.gz RILNPLVQRJQOMY-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000455961874 501426734 /nfs/dbraw/zinc/42/67/34/501426734.db2.gz AEWHFECOARCCCQ-UHFFFAOYSA-N 1 2 364.449 3.021 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1C#N ZINC000452065962 501428121 /nfs/dbraw/zinc/42/81/21/501428121.db2.gz JEILYVFYDDRAMK-RDTXWAMCSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](O)C2)c1C#N ZINC000452065962 501428122 /nfs/dbraw/zinc/42/81/22/501428122.db2.gz JEILYVFYDDRAMK-RDTXWAMCSA-N 1 2 372.513 3.123 20 30 FGEDLO C=CCC1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000453973572 501435680 /nfs/dbraw/zinc/43/56/80/501435680.db2.gz LUJINSULOJWLKQ-UHFFFAOYSA-N 1 2 352.438 3.064 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC(C)(C)C#N)c(C)c1 ZINC000458580802 501479679 /nfs/dbraw/zinc/47/96/79/501479679.db2.gz RGKVEMKGBMGBDT-GOSISDBHSA-N 1 2 353.470 3.432 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000456364978 501510119 /nfs/dbraw/zinc/51/01/19/501510119.db2.gz VOBWKSZLXJQZRU-OAHLLOKOSA-N 1 2 362.437 3.171 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000454556464 501577083 /nfs/dbraw/zinc/57/70/83/501577083.db2.gz UUIJQXOGHKOAPR-UHFFFAOYSA-N 1 2 362.477 3.439 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302600 501765743 /nfs/dbraw/zinc/76/57/43/501765743.db2.gz JDICKYTYMXTONG-XIRDDKMYSA-N 1 2 351.368 3.330 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302600 501765751 /nfs/dbraw/zinc/76/57/51/501765751.db2.gz JDICKYTYMXTONG-XIRDDKMYSA-N 1 2 351.368 3.330 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)cn2c1 ZINC000460326484 501792295 /nfs/dbraw/zinc/79/22/95/501792295.db2.gz IYMLZMQVFXNMTA-UHFFFAOYSA-N 1 2 357.373 3.099 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000467521152 501815497 /nfs/dbraw/zinc/81/54/97/501815497.db2.gz XMMSUBUBGMZBSD-IBGZPJMESA-N 1 2 350.890 3.465 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C#N)ccc3C)CC2)cs1 ZINC000596155030 506283544 /nfs/dbraw/zinc/28/35/44/506283544.db2.gz PZKGRDJFYQMQDC-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc(C#N)ccc3C)CC2)cs1 ZINC000596155030 506283549 /nfs/dbraw/zinc/28/35/49/506283549.db2.gz PZKGRDJFYQMQDC-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO N#Cc1cccc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000468639382 502133638 /nfs/dbraw/zinc/13/36/38/502133638.db2.gz PVCFEUNIHLTJPA-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000486435327 502153906 /nfs/dbraw/zinc/15/39/06/502153906.db2.gz QCPRQQNHNYKBOP-KRWDZBQOSA-N 1 2 359.416 3.491 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000486435327 502153912 /nfs/dbraw/zinc/15/39/12/502153912.db2.gz QCPRQQNHNYKBOP-KRWDZBQOSA-N 1 2 359.416 3.491 20 30 FGEDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(Cl)cc1C#N ZINC000461975815 502260799 /nfs/dbraw/zinc/26/07/99/502260799.db2.gz VVHKIWKCYAPQIF-MOPGFXCFSA-N 1 2 368.868 3.005 20 30 FGEDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(Cl)cc1C#N ZINC000461975815 502260804 /nfs/dbraw/zinc/26/08/04/502260804.db2.gz VVHKIWKCYAPQIF-MOPGFXCFSA-N 1 2 368.868 3.005 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000599069081 506308236 /nfs/dbraw/zinc/30/82/36/506308236.db2.gz UEDRNGXNLZMGQF-WMZOPIPTSA-N 1 2 365.481 3.077 20 30 FGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483369004 502363959 /nfs/dbraw/zinc/36/39/59/502363959.db2.gz OIRAXAUBZSMJIT-CRAIPNDOSA-N 1 2 353.384 3.327 20 30 FGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483369004 502363961 /nfs/dbraw/zinc/36/39/61/502363961.db2.gz OIRAXAUBZSMJIT-CRAIPNDOSA-N 1 2 353.384 3.327 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)s3)CC2)c1 ZINC000487279792 502407024 /nfs/dbraw/zinc/40/70/24/502407024.db2.gz OVILWTJMOVELIV-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473030094 502504858 /nfs/dbraw/zinc/50/48/58/502504858.db2.gz ZUGWOJSZDIANBY-ZDUSSCGKSA-N 1 2 350.509 3.048 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000487835111 502543628 /nfs/dbraw/zinc/54/36/28/502543628.db2.gz KSPOIWBGLVUPEE-SJLPKXTDSA-N 1 2 351.450 3.035 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cccs2)CC1 ZINC000466483047 502583689 /nfs/dbraw/zinc/58/36/89/502583689.db2.gz SVEHLXNUINBRLS-CYBMUJFWSA-N 1 2 374.897 3.422 20 30 FGEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1C(F)(F)F ZINC000596237401 506323566 /nfs/dbraw/zinc/32/35/66/506323566.db2.gz XDBLXYWADWOHLF-LBPRGKRZSA-N 1 2 374.366 3.190 20 30 FGEDLO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)CC#N)[C@H](c3ccco3)C2)cc1 ZINC000602871215 506332226 /nfs/dbraw/zinc/33/22/26/506332226.db2.gz ZKPZJLOAKOABOG-QAPCUYQASA-N 1 2 350.422 3.158 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1)CCCCC2 ZINC000602879846 506335844 /nfs/dbraw/zinc/33/58/44/506335844.db2.gz GLJBTSFMYZQIEZ-MRXNPFEDSA-N 1 2 369.494 3.387 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1)CCCCC2 ZINC000602879846 506335849 /nfs/dbraw/zinc/33/58/49/506335849.db2.gz GLJBTSFMYZQIEZ-MRXNPFEDSA-N 1 2 369.494 3.387 20 30 FGEDLO C=CCn1cccc1C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000488916525 502837893 /nfs/dbraw/zinc/83/78/93/502837893.db2.gz LJCQLDMCHODXDI-QGZVFWFLSA-N 1 2 370.522 3.257 20 30 FGEDLO C=CCn1cccc1C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000488916525 502837898 /nfs/dbraw/zinc/83/78/98/502837898.db2.gz LJCQLDMCHODXDI-QGZVFWFLSA-N 1 2 370.522 3.257 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)cc1 ZINC000505242825 502876053 /nfs/dbraw/zinc/87/60/53/502876053.db2.gz PWYQRKMMLQKREX-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cncc1F ZINC000513270297 502893092 /nfs/dbraw/zinc/89/30/92/502893092.db2.gz CDOMAXWFHRBGDI-VIFPVBQESA-N 1 2 350.756 3.174 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1c(F)cccc1C#N ZINC000505492630 502916612 /nfs/dbraw/zinc/91/66/12/502916612.db2.gz BYLKVSSTDJIKSO-UHFFFAOYSA-N 1 2 350.397 3.105 20 30 FGEDLO CCOC(=O)c1csc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602899403 506343682 /nfs/dbraw/zinc/34/36/82/506343682.db2.gz IKDIJQYQQQZXJK-UHFFFAOYSA-N 1 2 370.478 3.268 20 30 FGEDLO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513655040 502991414 /nfs/dbraw/zinc/99/14/14/502991414.db2.gz OXGWUWVHVBIURM-HTAPYJJXSA-N 1 2 361.445 3.319 20 30 FGEDLO CC(C)Oc1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513655040 502991419 /nfs/dbraw/zinc/99/14/19/502991419.db2.gz OXGWUWVHVBIURM-HTAPYJJXSA-N 1 2 361.445 3.319 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000497602716 502997398 /nfs/dbraw/zinc/99/73/98/502997398.db2.gz LRZZQWWWISPSPN-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501869185 503098025 /nfs/dbraw/zinc/09/80/25/503098025.db2.gz HDJJTJWDESSUAR-ZBFHGGJFSA-N 1 2 368.403 3.088 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501869185 503098029 /nfs/dbraw/zinc/09/80/29/503098029.db2.gz HDJJTJWDESSUAR-ZBFHGGJFSA-N 1 2 368.403 3.088 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000490045204 503099114 /nfs/dbraw/zinc/09/91/14/503099114.db2.gz GMAGXNZCSJVPSV-LJQANCHMSA-N 1 2 371.868 3.147 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000490045204 503099117 /nfs/dbraw/zinc/09/91/17/503099117.db2.gz GMAGXNZCSJVPSV-LJQANCHMSA-N 1 2 371.868 3.147 20 30 FGEDLO C=CCn1cccc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000490074832 503104763 /nfs/dbraw/zinc/10/47/63/503104763.db2.gz VIXQVHDNCCRIDH-UHFFFAOYSA-N 1 2 371.485 3.098 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4c(F)ccc(F)c4C3)C2=O)cc1 ZINC000490101172 503109182 /nfs/dbraw/zinc/10/91/82/503109182.db2.gz JMRHPYUYINIEGY-HXUWFJFHSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4c(F)ccc(F)c4C3)C2=O)cc1 ZINC000490101172 503109188 /nfs/dbraw/zinc/10/91/88/503109188.db2.gz JMRHPYUYINIEGY-HXUWFJFHSA-N 1 2 367.399 3.390 20 30 FGEDLO C=C(C)CN(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000498155621 503119895 /nfs/dbraw/zinc/11/98/95/503119895.db2.gz CNYKNTSXKDCRSS-UHFFFAOYSA-N 1 2 350.466 3.362 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1C ZINC000602927680 506355930 /nfs/dbraw/zinc/35/59/30/506355930.db2.gz XUWZWTBKQOEGRP-CQSZACIVSA-N 1 2 357.458 3.060 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1C ZINC000602927680 506355932 /nfs/dbraw/zinc/35/59/32/506355932.db2.gz XUWZWTBKQOEGRP-CQSZACIVSA-N 1 2 357.458 3.060 20 30 FGEDLO N#CC1(F)CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000510873690 503207917 /nfs/dbraw/zinc/20/79/17/503207917.db2.gz UWEZDGPMDVPZOS-UHFFFAOYSA-N 1 2 369.234 3.438 20 30 FGEDLO Cn1nccc1-c1ccccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506994098 503207840 /nfs/dbraw/zinc/20/78/40/503207840.db2.gz CGRKRZZIFRGHHV-UHFFFAOYSA-N 1 2 371.488 3.277 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510900634 503213749 /nfs/dbraw/zinc/21/37/49/503213749.db2.gz DSYFTABOVCPUHB-SFHVURJKSA-N 1 2 359.445 3.076 20 30 FGEDLO Cc1[nH+]c(N2CCC[C@@H](CC#N)C2)nc(N2CCC[C@H](CC#N)C2)c1F ZINC000596328643 506359896 /nfs/dbraw/zinc/35/98/96/506359896.db2.gz IFXIUCPZTPYHNL-CVEARBPZSA-N 1 2 356.449 3.184 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000511178282 503275081 /nfs/dbraw/zinc/27/50/81/503275081.db2.gz ZCARFNLAJJXXPA-HNNXBMFYSA-N 1 2 369.415 3.284 20 30 FGEDLO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319457 503276639 /nfs/dbraw/zinc/27/66/39/503276639.db2.gz OSEUFMQDLIXMFJ-SFHVURJKSA-N 1 2 374.488 3.048 20 30 FGEDLO C[C@H](c1cccc(NC(=O)Cc2c(F)cccc2C#N)c1)[NH+]1CCOCC1 ZINC000511192555 503277580 /nfs/dbraw/zinc/27/75/80/503277580.db2.gz KQBYKESZYXVGCM-OAHLLOKOSA-N 1 2 367.424 3.272 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000502915692 503307473 /nfs/dbraw/zinc/30/74/73/503307473.db2.gz HMEMGKBZHZBHFC-IBGZPJMESA-N 1 2 365.481 3.366 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000502915692 503307475 /nfs/dbraw/zinc/30/74/75/503307475.db2.gz HMEMGKBZHZBHFC-IBGZPJMESA-N 1 2 365.481 3.366 20 30 FGEDLO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055779 506364592 /nfs/dbraw/zinc/36/45/92/506364592.db2.gz PBJOXDMOVJSMPY-KBPBESRZSA-N 1 2 361.511 3.325 20 30 FGEDLO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055779 506364598 /nfs/dbraw/zinc/36/45/98/506364598.db2.gz PBJOXDMOVJSMPY-KBPBESRZSA-N 1 2 361.511 3.325 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957572 506365896 /nfs/dbraw/zinc/36/58/96/506365896.db2.gz WDESJVVNCOUQHB-AWEZNQCLSA-N 1 2 354.479 3.296 20 30 FGEDLO CC(C)Oc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000515487497 503348585 /nfs/dbraw/zinc/34/85/85/503348585.db2.gz JLKCYPHLWLRYAF-IBGZPJMESA-N 1 2 372.494 3.171 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000492770046 503384633 /nfs/dbraw/zinc/38/46/33/503384633.db2.gz KRPQQMFZCPSQQF-ZDUSSCGKSA-N 1 2 363.177 3.210 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000492770046 503384636 /nfs/dbraw/zinc/38/46/36/503384636.db2.gz KRPQQMFZCPSQQF-ZDUSSCGKSA-N 1 2 363.177 3.210 20 30 FGEDLO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCCC1(C)C ZINC000515766215 503398295 /nfs/dbraw/zinc/39/82/95/503398295.db2.gz HXXJEDLDOQPBFW-SFHVURJKSA-N 1 2 368.481 3.414 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512169732 503475704 /nfs/dbraw/zinc/47/57/04/503475704.db2.gz PTYMQRYGCAFEOI-UHFFFAOYSA-N 1 2 362.857 3.120 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512169732 503475707 /nfs/dbraw/zinc/47/57/07/503475707.db2.gz PTYMQRYGCAFEOI-UHFFFAOYSA-N 1 2 362.857 3.120 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000512184608 503479429 /nfs/dbraw/zinc/47/94/29/503479429.db2.gz XSZUVUZLQJWPDK-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000512184608 503479433 /nfs/dbraw/zinc/47/94/33/503479433.db2.gz XSZUVUZLQJWPDK-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(CO)o1 ZINC000512182517 503479659 /nfs/dbraw/zinc/47/96/59/503479659.db2.gz SEMMLRFZQYOMBR-UHFFFAOYSA-N 1 2 373.840 3.314 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(CO)o1 ZINC000512182517 503479661 /nfs/dbraw/zinc/47/96/61/503479661.db2.gz SEMMLRFZQYOMBR-UHFFFAOYSA-N 1 2 373.840 3.314 20 30 FGEDLO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508477428 503501727 /nfs/dbraw/zinc/50/17/27/503501727.db2.gz LFHPHAFOPINDJX-UHFFFAOYSA-N 1 2 355.486 3.112 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2Br)C1=O ZINC000499989988 503528748 /nfs/dbraw/zinc/52/87/48/503528748.db2.gz VWDWEAYFODDWFF-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2Br)C1=O ZINC000499989988 503528751 /nfs/dbraw/zinc/52/87/51/503528751.db2.gz VWDWEAYFODDWFF-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000512427269 503547012 /nfs/dbraw/zinc/54/70/12/503547012.db2.gz LBHXYYWAAVGHHK-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000512427269 503547015 /nfs/dbraw/zinc/54/70/15/503547015.db2.gz LBHXYYWAAVGHHK-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cnn(C(C)C)c1 ZINC000512506072 503572634 /nfs/dbraw/zinc/57/26/34/503572634.db2.gz GRPZOSHGKMHEIK-WOJBJXKFSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cnn(C(C)C)c1 ZINC000512506072 503572637 /nfs/dbraw/zinc/57/26/37/503572637.db2.gz GRPZOSHGKMHEIK-WOJBJXKFSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2ccsc2n1 ZINC000512537068 503579537 /nfs/dbraw/zinc/57/95/37/503579537.db2.gz NFHYGOUKCYNMGV-UHFFFAOYSA-N 1 2 357.483 3.112 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2ccsc2n1 ZINC000512537068 503579539 /nfs/dbraw/zinc/57/95/39/503579539.db2.gz NFHYGOUKCYNMGV-UHFFFAOYSA-N 1 2 357.483 3.112 20 30 FGEDLO Cc1csc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1C#N ZINC000603011461 506380462 /nfs/dbraw/zinc/38/04/62/506380462.db2.gz DNYVRKOCSJLFQR-UHFFFAOYSA-N 1 2 373.507 3.198 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000527051468 503659034 /nfs/dbraw/zinc/65/90/34/503659034.db2.gz NGACCFZMWFYCSB-AWEZNQCLSA-N 1 2 373.884 3.186 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000533077799 503723126 /nfs/dbraw/zinc/72/31/26/503723126.db2.gz YUKAPNLDJABISM-NRFANRHFSA-N 1 2 358.445 3.472 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377703 503783206 /nfs/dbraw/zinc/78/32/06/503783206.db2.gz HALZGGMITFPSSM-LBPRGKRZSA-N 1 2 350.260 3.004 20 30 FGEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527377703 503783212 /nfs/dbraw/zinc/78/32/12/503783212.db2.gz HALZGGMITFPSSM-LBPRGKRZSA-N 1 2 350.260 3.004 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000533421055 503837388 /nfs/dbraw/zinc/83/73/88/503837388.db2.gz KQHRBINOALUWKA-TWGQIWQCSA-N 1 2 374.488 3.218 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000533417928 503838076 /nfs/dbraw/zinc/83/80/76/503838076.db2.gz VXHNRNTVURTWMQ-UHFFFAOYSA-N 1 2 370.234 3.190 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000533494127 503864503 /nfs/dbraw/zinc/86/45/03/503864503.db2.gz BADKHXPTZJUDRC-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO CCCOc1cccc2c(N(C)CCCc3[nH]nc(N)c3C#N)cc[nH+]c12 ZINC000540870415 503920292 /nfs/dbraw/zinc/92/02/92/503920292.db2.gz SOPXIDXGLMEYJW-UHFFFAOYSA-N 1 2 364.453 3.100 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000533954857 504000126 /nfs/dbraw/zinc/00/01/26/504000126.db2.gz CHPCHHOZUBZJAH-INIZCTEOSA-N 1 2 372.538 3.231 20 30 FGEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132676 504020395 /nfs/dbraw/zinc/02/03/95/504020395.db2.gz SQONQNXCTDCSCB-IERDGZPVSA-N 1 2 363.461 3.123 20 30 FGEDLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132676 504020400 /nfs/dbraw/zinc/02/04/00/504020400.db2.gz SQONQNXCTDCSCB-IERDGZPVSA-N 1 2 363.461 3.123 20 30 FGEDLO CCn1c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)nc2cc(C#N)ccc21 ZINC000534277485 504094227 /nfs/dbraw/zinc/09/42/27/504094227.db2.gz WWYLPPHHJSOUOR-UHFFFAOYSA-N 1 2 358.405 3.065 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2ccon2)c1C#N ZINC000544546511 504169791 /nfs/dbraw/zinc/16/97/91/504169791.db2.gz MTSLDNYMKTWEFN-AWEZNQCLSA-N 1 2 363.421 3.243 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000531171222 504213297 /nfs/dbraw/zinc/21/32/97/504213297.db2.gz XPPVCPYPKYLDKF-UHFFFAOYSA-N 1 2 368.487 3.296 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3ncccc3C#N)[nH+]c12 ZINC000544701697 504225123 /nfs/dbraw/zinc/22/51/23/504225123.db2.gz OHABOYKPUICJEQ-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000544705658 504228377 /nfs/dbraw/zinc/22/83/77/504228377.db2.gz HEOZYXPJCZGIPL-FQEVSTJZSA-N 1 2 374.444 3.300 20 30 FGEDLO N#Cc1ccc(CCc2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000544705658 504228385 /nfs/dbraw/zinc/22/83/85/504228385.db2.gz HEOZYXPJCZGIPL-FQEVSTJZSA-N 1 2 374.444 3.300 20 30 FGEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)c1 ZINC000538603126 504299849 /nfs/dbraw/zinc/29/98/49/504299849.db2.gz JIIDRLYASRIMEV-HXUWFJFHSA-N 1 2 366.442 3.434 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788146 504372549 /nfs/dbraw/zinc/37/25/49/504372549.db2.gz MFVSVUAEOGHMHS-GJZGRUSLSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788146 504372551 /nfs/dbraw/zinc/37/25/51/504372551.db2.gz MFVSVUAEOGHMHS-GJZGRUSLSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000532098000 504533194 /nfs/dbraw/zinc/53/31/94/504533194.db2.gz UFKLXBHJDDGGKZ-NRFANRHFSA-N 1 2 360.417 3.356 20 30 FGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCO1 ZINC000532098000 504533197 /nfs/dbraw/zinc/53/31/97/504533197.db2.gz UFKLXBHJDDGGKZ-NRFANRHFSA-N 1 2 360.417 3.356 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000548752603 504553908 /nfs/dbraw/zinc/55/39/08/504553908.db2.gz KNXDUXSLZPNFOE-OKILXGFUSA-N 1 2 366.465 3.396 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000548752603 504553913 /nfs/dbraw/zinc/55/39/13/504553913.db2.gz KNXDUXSLZPNFOE-OKILXGFUSA-N 1 2 366.465 3.396 20 30 FGEDLO COCc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1C#N ZINC000529209614 504585945 /nfs/dbraw/zinc/58/59/45/504585945.db2.gz IHUQDPNMPVHUHJ-UHFFFAOYSA-N 1 2 363.421 3.025 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000532413894 504640185 /nfs/dbraw/zinc/64/01/85/504640185.db2.gz ABZIDVHLNGKXOZ-WMZOPIPTSA-N 1 2 350.528 3.448 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)Cc1cccs1 ZINC000532413894 504640192 /nfs/dbraw/zinc/64/01/92/504640192.db2.gz ABZIDVHLNGKXOZ-WMZOPIPTSA-N 1 2 350.528 3.448 20 30 FGEDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000549033008 504661978 /nfs/dbraw/zinc/66/19/78/504661978.db2.gz AULZCAATHWMQHW-OAQYLSRUSA-N 1 2 362.433 3.352 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCOCC12CCCC2)c1cccc(Cl)c1 ZINC000536493397 504747799 /nfs/dbraw/zinc/74/77/99/504747799.db2.gz VTCIEYHILDMPIC-UHFFFAOYSA-N 1 2 361.873 3.232 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCOCC12CCCC2)c1cccc(Cl)c1 ZINC000536493397 504747803 /nfs/dbraw/zinc/74/78/03/504747803.db2.gz VTCIEYHILDMPIC-UHFFFAOYSA-N 1 2 361.873 3.232 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Cl ZINC000529674572 504758560 /nfs/dbraw/zinc/75/85/60/504758560.db2.gz PJMYQWVLPUWXCF-CABCVRRESA-N 1 2 355.887 3.056 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Cl ZINC000529674572 504758563 /nfs/dbraw/zinc/75/85/63/504758563.db2.gz PJMYQWVLPUWXCF-CABCVRRESA-N 1 2 355.887 3.056 20 30 FGEDLO Cc1cc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)oc2c(Br)c1 ZINC000565051711 504782367 /nfs/dbraw/zinc/78/23/67/504782367.db2.gz QWHILOVMIOSLHV-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO N#CC1(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000562381633 504801121 /nfs/dbraw/zinc/80/11/21/504801121.db2.gz BXWPOUWLRJBWEL-HNNXBMFYSA-N 1 2 364.852 3.046 20 30 FGEDLO N#CC1(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000562381633 504801126 /nfs/dbraw/zinc/80/11/26/504801126.db2.gz BXWPOUWLRJBWEL-HNNXBMFYSA-N 1 2 364.852 3.046 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000559259184 504811297 /nfs/dbraw/zinc/81/12/97/504811297.db2.gz JHTZERFQFCAYMN-UHFFFAOYSA-N 1 2 370.378 3.146 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000556557750 504904296 /nfs/dbraw/zinc/90/42/96/504904296.db2.gz PLEQKRRHGZQFQN-UHFFFAOYSA-N 1 2 359.433 3.021 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CF)c1C#N ZINC000550010288 504951160 /nfs/dbraw/zinc/95/11/60/504951160.db2.gz OAPAOHKQYGBGHI-QGZVFWFLSA-N 1 2 372.419 3.477 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2CF)c1C#N ZINC000550010288 504951166 /nfs/dbraw/zinc/95/11/66/504951166.db2.gz OAPAOHKQYGBGHI-QGZVFWFLSA-N 1 2 372.419 3.477 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000557075805 505060115 /nfs/dbraw/zinc/06/01/15/505060115.db2.gz HLMJAMLMRIHKSE-UHFFFAOYSA-N 1 2 368.868 3.182 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000554267095 505129322 /nfs/dbraw/zinc/12/93/22/505129322.db2.gz BQMWUTLSQFPJKL-IBGZPJMESA-N 1 2 371.444 3.370 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000563890849 505268195 /nfs/dbraw/zinc/26/81/95/505268195.db2.gz UBGSGKSZYGZEOO-FQEVSTJZSA-N 1 2 371.868 3.493 20 30 FGEDLO CC(C)c1nc(N2CCN(c3cnccc3C#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000566773206 505268809 /nfs/dbraw/zinc/26/88/09/505268809.db2.gz CHVCQPOJYCDRFJ-UHFFFAOYSA-N 1 2 364.497 3.491 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cn2c1 ZINC000563903065 505271416 /nfs/dbraw/zinc/27/14/16/505271416.db2.gz QDYROEMXJULUPR-FQEVSTJZSA-N 1 2 362.433 3.234 20 30 FGEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000567059899 505351663 /nfs/dbraw/zinc/35/16/63/505351663.db2.gz IOOXECJHMVZMAB-SJORKVTESA-N 1 2 363.461 3.123 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000564422356 505415499 /nfs/dbraw/zinc/41/54/99/505415499.db2.gz PIRDOSNNRJPDKU-ZRNYENFQSA-N 1 2 366.465 3.145 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2n1C ZINC000603154413 506440468 /nfs/dbraw/zinc/44/04/68/506440468.db2.gz FPCGHTICJHWHRM-LJQANCHMSA-N 1 2 373.460 3.104 20 30 FGEDLO Cc1cccn2cc(Cc3noc([C@H](C#N)Cc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000589117892 506449157 /nfs/dbraw/zinc/44/91/57/506449157.db2.gz VCKGMKOVXPTQLV-KRWDZBQOSA-N 1 2 368.400 3.338 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158702 506465846 /nfs/dbraw/zinc/46/58/46/506465846.db2.gz OUASDDJHIGAAOZ-HNAYVOBHSA-N 1 2 363.889 3.191 20 30 FGEDLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158702 506465850 /nfs/dbraw/zinc/46/58/50/506465850.db2.gz OUASDDJHIGAAOZ-HNAYVOBHSA-N 1 2 363.889 3.191 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000612160471 506466938 /nfs/dbraw/zinc/46/69/38/506466938.db2.gz JAFYGMHMQVRERD-LJQANCHMSA-N 1 2 355.511 3.320 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000612160471 506466944 /nfs/dbraw/zinc/46/69/44/506466944.db2.gz JAFYGMHMQVRERD-LJQANCHMSA-N 1 2 355.511 3.320 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195019 506477274 /nfs/dbraw/zinc/47/72/74/506477274.db2.gz BRFCOKWQCHRDQM-QZTJIDSGSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195019 506477281 /nfs/dbraw/zinc/47/72/81/506477281.db2.gz BRFCOKWQCHRDQM-QZTJIDSGSA-N 1 2 373.815 3.232 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CCCC3)n2)O1 ZINC000596613155 506489853 /nfs/dbraw/zinc/48/98/53/506489853.db2.gz CAKYRINOVXBTIC-NVXWUHKLSA-N 1 2 352.438 3.367 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(C3(C#N)CCCC3)n2)O1 ZINC000596613155 506489857 /nfs/dbraw/zinc/48/98/57/506489857.db2.gz CAKYRINOVXBTIC-NVXWUHKLSA-N 1 2 352.438 3.367 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4cc(F)ccc43)CC2)cc1 ZINC000596659219 506516388 /nfs/dbraw/zinc/51/63/88/506516388.db2.gz VQFVBRULTGMREG-OAQYLSRUSA-N 1 2 363.436 3.072 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000612306572 506520593 /nfs/dbraw/zinc/52/05/93/506520593.db2.gz UJTSCBFKGHPQOE-UZLBHIALSA-N 1 2 356.470 3.237 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599634163 506542191 /nfs/dbraw/zinc/54/21/91/506542191.db2.gz GMRQBNDDDGWTON-KRWDZBQOSA-N 1 2 359.351 3.162 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599634163 506542195 /nfs/dbraw/zinc/54/21/95/506542195.db2.gz GMRQBNDDDGWTON-KRWDZBQOSA-N 1 2 359.351 3.162 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593357776 506570275 /nfs/dbraw/zinc/57/02/75/506570275.db2.gz IEZOVDCGTSYRHN-KRWDZBQOSA-N 1 2 351.454 3.087 20 30 FGEDLO C[N@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599683838 506578162 /nfs/dbraw/zinc/57/81/62/506578162.db2.gz VIPSHTQEABEHDB-UHFFFAOYSA-N 1 2 357.454 3.192 20 30 FGEDLO C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599683838 506578170 /nfs/dbraw/zinc/57/81/70/506578170.db2.gz VIPSHTQEABEHDB-UHFFFAOYSA-N 1 2 357.454 3.192 20 30 FGEDLO Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1Oc1cc[nH+]cc1 ZINC000589556170 506585608 /nfs/dbraw/zinc/58/56/08/506585608.db2.gz PIDVLJYXROZFLM-UHFFFAOYSA-N 1 2 366.402 3.250 20 30 FGEDLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000612543719 506617426 /nfs/dbraw/zinc/61/74/26/506617426.db2.gz RNUOJQBWBBTYII-HUUCEWRRSA-N 1 2 351.454 3.258 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2)c1C ZINC000589659858 506622296 /nfs/dbraw/zinc/62/22/96/506622296.db2.gz XFWLQVDJCFNOKG-UHFFFAOYSA-N 1 2 366.446 3.356 20 30 FGEDLO N#C[C@@]1(F)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000589763982 506645016 /nfs/dbraw/zinc/64/50/16/506645016.db2.gz FFSBRQBDJJZCPL-IBGZPJMESA-N 1 2 353.401 3.356 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(OC)c(C#N)cc2F)c[nH+]1 ZINC000599818751 506654591 /nfs/dbraw/zinc/65/45/91/506654591.db2.gz ZQSSIPJQFOPHEV-UHFFFAOYSA-N 1 2 371.416 3.269 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccsc3C#N)CC2)c(C)[nH+]1 ZINC000596912152 506673112 /nfs/dbraw/zinc/67/31/12/506673112.db2.gz BXSJHRBSNXYRHI-UHFFFAOYSA-N 1 2 355.467 3.294 20 30 FGEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000596993928 506720198 /nfs/dbraw/zinc/72/01/98/506720198.db2.gz YRESZYKQKKSPKN-UHFFFAOYSA-N 1 2 372.476 3.040 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc4c(cccc4C)[nH]3)CC2)c1C#N ZINC000597132369 506794939 /nfs/dbraw/zinc/79/49/39/506794939.db2.gz HOFRMLVCOXVCKB-UHFFFAOYSA-N 1 2 351.479 3.435 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000597182497 506820615 /nfs/dbraw/zinc/82/06/15/506820615.db2.gz CUJYBGSNYUGJCF-OAHLLOKOSA-N 1 2 360.508 3.250 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000597184439 506821869 /nfs/dbraw/zinc/82/18/69/506821869.db2.gz WUGXRZNINDYXQB-UHFFFAOYSA-N 1 2 355.492 3.394 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000597184424 506822714 /nfs/dbraw/zinc/82/27/14/506822714.db2.gz WGNGSURVEUZJGX-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000593953373 506846555 /nfs/dbraw/zinc/84/65/55/506846555.db2.gz FKPDLQYDXGNYCN-MRXNPFEDSA-N 1 2 353.491 3.143 20 30 FGEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc1 ZINC000590754984 506939133 /nfs/dbraw/zinc/93/91/33/506939133.db2.gz YCXSHHFPKLBAKU-MRXNPFEDSA-N 1 2 354.429 3.296 20 30 FGEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc1 ZINC000590754984 506939138 /nfs/dbraw/zinc/93/91/38/506939138.db2.gz YCXSHHFPKLBAKU-MRXNPFEDSA-N 1 2 354.429 3.296 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3Cc4ccc(C#N)cc4C3)c2C1 ZINC000594132550 506963758 /nfs/dbraw/zinc/96/37/58/506963758.db2.gz TZWJNTRGKLMPML-UHFFFAOYSA-N 1 2 368.440 3.250 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3Cc4ccc(C#N)cc4C3)c2C1 ZINC000594132550 506963764 /nfs/dbraw/zinc/96/37/64/506963764.db2.gz TZWJNTRGKLMPML-UHFFFAOYSA-N 1 2 368.440 3.250 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610406025 507227733 /nfs/dbraw/zinc/22/77/33/507227733.db2.gz UVBXMQZYXZDSGI-FQEVSTJZSA-N 1 2 373.460 3.417 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000610454582 507247260 /nfs/dbraw/zinc/24/72/60/507247260.db2.gz ZFGJJJWZQCVSJT-UHFFFAOYSA-N 1 2 363.421 3.277 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000605902710 507300341 /nfs/dbraw/zinc/30/03/41/507300341.db2.gz QMEMCNYWKASUGA-ICSRJNTNSA-N 1 2 371.477 3.384 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000605902710 507300348 /nfs/dbraw/zinc/30/03/48/507300348.db2.gz QMEMCNYWKASUGA-ICSRJNTNSA-N 1 2 371.477 3.384 20 30 FGEDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H](C)CO2)c1 ZINC000584470498 507362840 /nfs/dbraw/zinc/36/28/40/507362840.db2.gz GWZLMJGSXKMKJM-OXJNMPFZSA-N 1 2 361.449 3.180 20 30 FGEDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H](C)CO2)c1 ZINC000584470498 507362841 /nfs/dbraw/zinc/36/28/41/507362841.db2.gz GWZLMJGSXKMKJM-OXJNMPFZSA-N 1 2 361.449 3.180 20 30 FGEDLO COc1ccc2ncc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000591892199 507398470 /nfs/dbraw/zinc/39/84/70/507398470.db2.gz GIJHBQKXZGWCHF-UHFFFAOYSA-N 1 2 359.433 3.144 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000610968137 507457973 /nfs/dbraw/zinc/45/79/73/507457973.db2.gz YZUBURGOIFSFHA-UHFFFAOYSA-N 1 2 363.461 3.142 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148832 507510538 /nfs/dbraw/zinc/51/05/38/507510538.db2.gz CQOFOZUPYRHDHL-HRAATJIYSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148832 507510543 /nfs/dbraw/zinc/51/05/43/507510543.db2.gz CQOFOZUPYRHDHL-HRAATJIYSA-N 1 2 365.433 3.156 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000611090143 507512712 /nfs/dbraw/zinc/51/27/12/507512712.db2.gz BTQGPPDPXZMKMM-IBGZPJMESA-N 1 2 354.475 3.415 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000611090143 507512716 /nfs/dbraw/zinc/51/27/16/507512716.db2.gz BTQGPPDPXZMKMM-IBGZPJMESA-N 1 2 354.475 3.415 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195738 507533765 /nfs/dbraw/zinc/53/37/65/507533765.db2.gz URIZIGCMPNYHSN-KBPBESRZSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195738 507533768 /nfs/dbraw/zinc/53/37/68/507533768.db2.gz URIZIGCMPNYHSN-KBPBESRZSA-N 1 2 373.522 3.469 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520169 507541261 /nfs/dbraw/zinc/54/12/61/507541261.db2.gz YRGDPYYOJUVVAQ-OLZOCXBDSA-N 1 2 361.877 3.217 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520169 507541265 /nfs/dbraw/zinc/54/12/65/507541265.db2.gz YRGDPYYOJUVVAQ-OLZOCXBDSA-N 1 2 361.877 3.217 20 30 FGEDLO N#CCCN1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000611175099 507546045 /nfs/dbraw/zinc/54/60/45/507546045.db2.gz WSBYYHRJPYIAIB-UHFFFAOYSA-N 1 2 370.884 3.345 20 30 FGEDLO N#CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000598679094 507550152 /nfs/dbraw/zinc/55/01/52/507550152.db2.gz XAHGJKSDTGWBDQ-CQSZACIVSA-N 1 2 358.230 3.333 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000614551061 507561595 /nfs/dbraw/zinc/56/15/95/507561595.db2.gz IEPJNSOQMYYUHL-GOSISDBHSA-N 1 2 368.481 3.021 20 30 FGEDLO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000592268658 507573204 /nfs/dbraw/zinc/57/32/04/507573204.db2.gz QYUDULOMPLZAMP-AWEZNQCLSA-N 1 2 371.391 3.018 20 30 FGEDLO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000592268658 507573207 /nfs/dbraw/zinc/57/32/07/507573207.db2.gz QYUDULOMPLZAMP-AWEZNQCLSA-N 1 2 371.391 3.018 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602081282 507584596 /nfs/dbraw/zinc/58/45/96/507584596.db2.gz VSACHQLTOZVSQG-LJQANCHMSA-N 1 2 365.433 3.179 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602081282 507584603 /nfs/dbraw/zinc/58/46/03/507584603.db2.gz VSACHQLTOZVSQG-LJQANCHMSA-N 1 2 365.433 3.179 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620712 507595301 /nfs/dbraw/zinc/59/53/01/507595301.db2.gz PEBYWYXHXOVZIW-HUUCEWRRSA-N 1 2 356.495 3.269 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620712 507595306 /nfs/dbraw/zinc/59/53/06/507595306.db2.gz PEBYWYXHXOVZIW-HUUCEWRRSA-N 1 2 356.495 3.269 20 30 FGEDLO C=CCCOCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607063852 507601608 /nfs/dbraw/zinc/60/16/08/507601608.db2.gz LOUIHJRTNNQPHH-UHFFFAOYSA-N 1 2 374.529 3.318 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000595630525 507602775 /nfs/dbraw/zinc/60/27/75/507602775.db2.gz YVXJCFPMTINGKQ-UHFFFAOYSA-N 1 2 372.450 3.249 20 30 FGEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1)c1ccccc1 ZINC000595634038 507603881 /nfs/dbraw/zinc/60/38/81/507603881.db2.gz URXBFZQKDXAPMG-MRXNPFEDSA-N 1 2 368.506 3.183 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000602165436 507611850 /nfs/dbraw/zinc/61/18/50/507611850.db2.gz FJZBRTDTGCUFOE-HRAATJIYSA-N 1 2 363.461 3.361 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000602165436 507611856 /nfs/dbraw/zinc/61/18/56/507611856.db2.gz FJZBRTDTGCUFOE-HRAATJIYSA-N 1 2 363.461 3.361 20 30 FGEDLO C[C@@H]([NH2+]Cc1ncc(I)s1)c1cccc(C#N)c1 ZINC000586778301 507668361 /nfs/dbraw/zinc/66/83/61/507668361.db2.gz IMYXMUGZLBVVLW-SECBINFHSA-N 1 2 369.231 3.470 20 30 FGEDLO C[C@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473595 507697840 /nfs/dbraw/zinc/69/78/40/507697840.db2.gz WRNWJZSCMFZAIS-JTSKRJEESA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473595 507697844 /nfs/dbraw/zinc/69/78/44/507697844.db2.gz WRNWJZSCMFZAIS-JTSKRJEESA-N 1 2 367.468 3.375 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595885809 507728968 /nfs/dbraw/zinc/72/89/68/507728968.db2.gz JMVHZENCZMWKJN-MRXNPFEDSA-N 1 2 364.371 3.112 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595885809 507728972 /nfs/dbraw/zinc/72/89/72/507728972.db2.gz JMVHZENCZMWKJN-MRXNPFEDSA-N 1 2 364.371 3.112 20 30 FGEDLO N#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000592650887 507748953 /nfs/dbraw/zinc/74/89/53/507748953.db2.gz OUTDQDPMVHKEGI-LJQANCHMSA-N 1 2 369.852 3.098 20 30 FGEDLO N#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000592650887 507748957 /nfs/dbraw/zinc/74/89/57/507748957.db2.gz OUTDQDPMVHKEGI-LJQANCHMSA-N 1 2 369.852 3.098 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC(C)(C)c2ccccc2)CCO1 ZINC000330338646 568266437 /nfs/dbraw/zinc/26/64/37/568266437.db2.gz VQWTZQPUUHDYJJ-AEFFLSMTSA-N 1 2 356.470 3.122 20 30 FGEDLO C[C@@H](NC(=O)CO[NH+]=C(N)Cc1ccccc1Cl)c1cccs1 ZINC000119863298 700641448 /nfs/dbraw/zinc/64/14/48/700641448.db2.gz PHITXYFLDKRXTF-LLVKDONJSA-N 1 2 351.859 3.110 20 30 FGEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)Cc2ccccc2Cl)no1 ZINC000131234751 700812308 /nfs/dbraw/zinc/81/23/08/700812308.db2.gz JVNOOTSSBGUBBS-UHFFFAOYSA-N 1 2 363.830 3.186 20 30 FGEDLO CS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000156791390 705131860 /nfs/dbraw/zinc/13/18/60/705131860.db2.gz SHAWMTUJCAVHBJ-UHFFFAOYSA-N 1 2 354.475 3.234 20 30 FGEDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000156791390 705131864 /nfs/dbraw/zinc/13/18/64/705131864.db2.gz SHAWMTUJCAVHBJ-UHFFFAOYSA-N 1 2 354.475 3.234 20 30 FGEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nnc(-c2cccs2)o1 ZINC000158207713 705177745 /nfs/dbraw/zinc/17/77/45/705177745.db2.gz PGSIKDDHUDNHLB-SNVBAGLBSA-N 1 2 356.407 3.131 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c(F)c1 ZINC000174776615 705519048 /nfs/dbraw/zinc/51/90/48/705519048.db2.gz AGNICBCWJLNEBG-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177256937 705614887 /nfs/dbraw/zinc/61/48/87/705614887.db2.gz FGCVJQXHCAWTNQ-MRXNPFEDSA-N 1 2 354.372 3.267 20 30 FGEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177256937 705614893 /nfs/dbraw/zinc/61/48/93/705614893.db2.gz FGCVJQXHCAWTNQ-MRXNPFEDSA-N 1 2 354.372 3.267 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000373815138 713873561 /nfs/dbraw/zinc/87/35/61/713873561.db2.gz OJNWGGXAYHFEHE-DOTOQJQBSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000373815138 713873567 /nfs/dbraw/zinc/87/35/67/713873567.db2.gz OJNWGGXAYHFEHE-DOTOQJQBSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796141 713944374 /nfs/dbraw/zinc/94/43/74/713944374.db2.gz CIRGOOJGSNCKGJ-PBHICJAKSA-N 1 2 355.463 3.410 20 30 FGEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796141 713944376 /nfs/dbraw/zinc/94/43/76/713944376.db2.gz CIRGOOJGSNCKGJ-PBHICJAKSA-N 1 2 355.463 3.410 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H]3CCCOC3)CC2)c(C#N)c1C ZINC000374848726 713947884 /nfs/dbraw/zinc/94/78/84/713947884.db2.gz XTBWZYVQMWABMW-INIZCTEOSA-N 1 2 361.511 3.314 20 30 FGEDLO C#CCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000780016790 724441268 /nfs/dbraw/zinc/44/12/68/724441268.db2.gz RQMVUIICUCQDOJ-AZUAARDMSA-N 1 2 362.901 3.412 20 30 FGEDLO C#CCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000780016790 724441270 /nfs/dbraw/zinc/44/12/70/724441270.db2.gz RQMVUIICUCQDOJ-AZUAARDMSA-N 1 2 362.901 3.412 20 30 FGEDLO C=CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633486968 716943617 /nfs/dbraw/zinc/94/36/17/716943617.db2.gz NONVMBNVRCTTAH-INIZCTEOSA-N 1 2 360.527 3.133 20 30 FGEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799112557 723988857 /nfs/dbraw/zinc/98/88/57/723988857.db2.gz VRDZWMAREWDGAI-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635547292 717177905 /nfs/dbraw/zinc/17/79/05/717177905.db2.gz FNVCFXKTJBJJLC-HNNXBMFYSA-N 1 2 353.344 3.258 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H](C)COC ZINC000661242658 720214003 /nfs/dbraw/zinc/21/40/03/720214003.db2.gz RUCRNHJTEJNZNQ-LBPRGKRZSA-N 1 2 351.497 3.333 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H](C)COC ZINC000661242658 720214005 /nfs/dbraw/zinc/21/40/05/720214005.db2.gz RUCRNHJTEJNZNQ-LBPRGKRZSA-N 1 2 351.497 3.333 20 30 FGEDLO COc1ccccc1OCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948207 724711271 /nfs/dbraw/zinc/71/12/71/724711271.db2.gz IAOWIXRULSLKGJ-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000782948217 724711350 /nfs/dbraw/zinc/71/13/50/724711350.db2.gz IGEYTRQISVGWLZ-UHFFFAOYSA-N 1 2 368.162 3.334 20 30 FGEDLO Cc1cc(Br)cn2c(CN=Nc3nccnc3Cl)c[nH+]c12 ZINC000783845328 724795707 /nfs/dbraw/zinc/79/57/07/724795707.db2.gz FAYZYNBOOHINAJ-UHFFFAOYSA-N 1 2 365.622 3.295 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(OC)c2)CC1 ZINC001165034027 721873414 /nfs/dbraw/zinc/87/34/14/721873414.db2.gz CVVOIVRGPLSLTE-UHFFFAOYSA-N 1 2 360.845 3.239 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784035307 724814845 /nfs/dbraw/zinc/81/48/45/724814845.db2.gz PSPQGBHLRIYSMN-AWEZNQCLSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784035307 724814849 /nfs/dbraw/zinc/81/48/49/724814849.db2.gz PSPQGBHLRIYSMN-AWEZNQCLSA-N 1 2 358.515 3.383 20 30 FGEDLO CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000731935702 722479610 /nfs/dbraw/zinc/47/96/10/722479610.db2.gz MUZAZLDUGHRHNX-UHFFFAOYSA-N 1 2 354.435 3.112 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000735937336 722520484 /nfs/dbraw/zinc/52/04/84/722520484.db2.gz HOLREFQQZLDTSK-UHFFFAOYSA-N 1 2 354.233 3.065 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000755283182 722951989 /nfs/dbraw/zinc/95/19/89/722951989.db2.gz WMASOWKQQPIAPO-UHFFFAOYSA-N 1 2 373.305 3.185 20 30 FGEDLO C#CCNC(=S)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000758191953 722985892 /nfs/dbraw/zinc/98/58/92/722985892.db2.gz UGCXJMDDYRPFKK-UHFFFAOYSA-N 1 2 364.877 3.076 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043997 723115770 /nfs/dbraw/zinc/11/57/70/723115770.db2.gz GLYNEANFTGNMCQ-CHWSQXEVSA-N 1 2 357.351 3.345 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043997 723115772 /nfs/dbraw/zinc/11/57/72/723115772.db2.gz GLYNEANFTGNMCQ-CHWSQXEVSA-N 1 2 357.351 3.345 20 30 FGEDLO CCCOc1c(Br)cc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790306299 723125294 /nfs/dbraw/zinc/12/52/94/723125294.db2.gz WRWJQXOORYCCRY-UHFFFAOYSA-N 1 2 367.247 3.426 20 30 FGEDLO CCc1nnc(C2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)[nH]1 ZINC000792398523 723334507 /nfs/dbraw/zinc/33/45/07/723334507.db2.gz ZTXJFQUYAHCHIP-UHFFFAOYSA-N 1 2 359.861 3.302 20 30 FGEDLO CCc1n[nH]c(C2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)n1 ZINC000792398523 723334512 /nfs/dbraw/zinc/33/45/12/723334512.db2.gz ZTXJFQUYAHCHIP-UHFFFAOYSA-N 1 2 359.861 3.302 20 30 FGEDLO CCc1nc(C2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)n[nH]1 ZINC000792398523 723334513 /nfs/dbraw/zinc/33/45/13/723334513.db2.gz ZTXJFQUYAHCHIP-UHFFFAOYSA-N 1 2 359.861 3.302 20 30 FGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2ncncc2F)CC1 ZINC000793211506 723411678 /nfs/dbraw/zinc/41/16/78/723411678.db2.gz NOHHCNMONIZCFV-UHFFFAOYSA-N 1 2 351.788 3.472 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793242385 723415465 /nfs/dbraw/zinc/41/54/65/723415465.db2.gz PLULDVDKLBVWHN-UHFFFAOYSA-N 1 2 354.328 3.403 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1Cc2cccc(Br)c2C1=O ZINC000795407230 723588669 /nfs/dbraw/zinc/58/86/69/723588669.db2.gz AYVQXYOONJYUSE-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1Cc2cccc(Br)c2C1=O ZINC000795407230 723588672 /nfs/dbraw/zinc/58/86/72/723588672.db2.gz AYVQXYOONJYUSE-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO S=C(NN=Cc1cccc2[nH+]ccn21)Nc1cccc(Br)c1 ZINC000771095963 723727782 /nfs/dbraw/zinc/72/77/82/723727782.db2.gz AWPMVXPDMRWAEC-UHFFFAOYSA-N 1 2 374.267 3.417 20 30 FGEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[C@H]1CCSC1 ZINC000773983064 723845676 /nfs/dbraw/zinc/84/56/76/723845676.db2.gz FIMHZHBCWUNVIJ-NWDGAFQWSA-N 1 2 364.421 3.045 20 30 FGEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)[C@H]1CCSC1 ZINC000773983064 723845680 /nfs/dbraw/zinc/84/56/80/723845680.db2.gz FIMHZHBCWUNVIJ-NWDGAFQWSA-N 1 2 364.421 3.045 20 30 FGEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCCO1 ZINC000775340893 723983454 /nfs/dbraw/zinc/98/34/54/723983454.db2.gz JGXMGSFYELCTGO-HOCLYGCPSA-N 1 2 360.255 3.110 20 30 FGEDLO C#CC[NH+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C)CC1 ZINC000800742473 724226726 /nfs/dbraw/zinc/22/67/26/724226726.db2.gz PMOVHKKBUWPPMR-UHFFFAOYSA-N 1 2 371.897 3.105 20 30 FGEDLO CN(C)c1ncnc(Cl)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801526700 724310654 /nfs/dbraw/zinc/31/06/54/724310654.db2.gz WIFFIFFREXQGCQ-UHFFFAOYSA-N 1 2 353.857 3.357 20 30 FGEDLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801526700 724310656 /nfs/dbraw/zinc/31/06/56/724310656.db2.gz WIFFIFFREXQGCQ-UHFFFAOYSA-N 1 2 353.857 3.357 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](OC)c2ccc(Cl)cc2)n1 ZINC000801550952 724312682 /nfs/dbraw/zinc/31/26/82/724312682.db2.gz ISAVEMFSTXSFSF-IBGZPJMESA-N 1 2 361.873 3.006 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](OC)c2ccc(Cl)cc2)n1 ZINC000801550952 724312684 /nfs/dbraw/zinc/31/26/84/724312684.db2.gz ISAVEMFSTXSFSF-IBGZPJMESA-N 1 2 361.873 3.006 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746943 725090659 /nfs/dbraw/zinc/09/06/59/725090659.db2.gz NXZMEUNYHGTVGT-VQTJNVASSA-N 1 2 356.853 3.189 20 30 FGEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CCO2)c1 ZINC000805746943 725090661 /nfs/dbraw/zinc/09/06/61/725090661.db2.gz NXZMEUNYHGTVGT-VQTJNVASSA-N 1 2 356.853 3.189 20 30 FGEDLO C=CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806081347 725115079 /nfs/dbraw/zinc/11/50/79/725115079.db2.gz HWFFKKRTKBQSHE-OALUTQOASA-N 1 2 351.535 3.408 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807193424 725156293 /nfs/dbraw/zinc/15/62/93/725156293.db2.gz XBNUKSSFFHQGBA-RTBURBONSA-N 1 2 360.860 3.393 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807193424 725156295 /nfs/dbraw/zinc/15/62/95/725156295.db2.gz XBNUKSSFFHQGBA-RTBURBONSA-N 1 2 360.860 3.393 20 30 FGEDLO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405076 725306493 /nfs/dbraw/zinc/30/64/93/725306493.db2.gz MZFYXKYJESKFNN-NWDGAFQWSA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405076 725306496 /nfs/dbraw/zinc/30/64/96/725306496.db2.gz MZFYXKYJESKFNN-NWDGAFQWSA-N 1 2 372.284 3.296 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000820744905 729024616 /nfs/dbraw/zinc/02/46/16/729024616.db2.gz MTTMUBKYAVCPFX-MRXNPFEDSA-N 1 2 360.820 3.466 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1F ZINC000820744905 729024618 /nfs/dbraw/zinc/02/46/18/729024618.db2.gz MTTMUBKYAVCPFX-MRXNPFEDSA-N 1 2 360.820 3.466 20 30 FGEDLO C#CC1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000830321439 729550161 /nfs/dbraw/zinc/55/01/61/729550161.db2.gz LUPJLIVAHBBQMB-UHFFFAOYSA-N 1 2 369.778 3.180 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000840734103 730167363 /nfs/dbraw/zinc/16/73/63/730167363.db2.gz CZKHTZUVHUQLPL-AWEZNQCLSA-N 1 2 351.472 3.248 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000840734103 730167364 /nfs/dbraw/zinc/16/73/64/730167364.db2.gz CZKHTZUVHUQLPL-AWEZNQCLSA-N 1 2 351.472 3.248 20 30 FGEDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1nnc2n1CCCCC2 ZINC000851929218 731520597 /nfs/dbraw/zinc/52/05/97/731520597.db2.gz HONIPBJDKYWSTH-CYBMUJFWSA-N 1 2 359.861 3.411 20 30 FGEDLO C#CCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852502260 731593994 /nfs/dbraw/zinc/59/39/94/731593994.db2.gz DDNUMAVUKTXUOI-HOTGVXAUSA-N 1 2 356.363 3.076 20 30 FGEDLO C#CCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852502260 731593997 /nfs/dbraw/zinc/59/39/97/731593997.db2.gz DDNUMAVUKTXUOI-HOTGVXAUSA-N 1 2 356.363 3.076 20 30 FGEDLO C#CCOCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000853011321 731649636 /nfs/dbraw/zinc/64/96/36/731649636.db2.gz FUDAFZUOYFFHJR-CYBMUJFWSA-N 1 2 364.902 3.285 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000859607107 732359938 /nfs/dbraw/zinc/35/99/38/732359938.db2.gz UKQABWTUJXOBGR-STQMWFEESA-N 1 2 361.408 3.315 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000859607107 732359941 /nfs/dbraw/zinc/35/99/41/732359941.db2.gz UKQABWTUJXOBGR-STQMWFEESA-N 1 2 361.408 3.315 20 30 FGEDLO N#Cc1cc(C(F)(F)F)cc(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000865502731 733214955 /nfs/dbraw/zinc/21/49/55/733214955.db2.gz JALGBYJXROOPAN-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1cc(C(F)(F)F)cc(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000865502731 733214957 /nfs/dbraw/zinc/21/49/57/733214957.db2.gz JALGBYJXROOPAN-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000865849849 733281766 /nfs/dbraw/zinc/28/17/66/733281766.db2.gz RXENPHYBVYKTMF-SNVBAGLBSA-N 1 2 352.257 3.486 20 30 FGEDLO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866309451 733335289 /nfs/dbraw/zinc/33/52/89/733335289.db2.gz GPANVSIGNDSMIU-GOEBONIOSA-N 1 2 358.463 3.167 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(ccnc4Cl)o3)CC2)nc1 ZINC000876565880 736114781 /nfs/dbraw/zinc/11/47/81/736114781.db2.gz PTWFJSUQWOUAJP-UHFFFAOYSA-N 1 2 353.813 3.070 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000876940660 736165189 /nfs/dbraw/zinc/16/51/89/736165189.db2.gz XZUXEKKOTQEHDN-KRWDZBQOSA-N 1 2 354.841 3.060 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2c3c(sc2=O)C[C@H](CCC)CC3)CC1 ZINC000884478591 737667791 /nfs/dbraw/zinc/66/77/91/737667791.db2.gz GSXVIWWKBGFSEG-OAHLLOKOSA-N 1 2 350.528 3.175 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000891816196 739939554 /nfs/dbraw/zinc/93/95/54/739939554.db2.gz QYQJAONWSWKUGL-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000891816196 739939558 /nfs/dbraw/zinc/93/95/58/739939558.db2.gz QYQJAONWSWKUGL-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO C#C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000894869850 742344879 /nfs/dbraw/zinc/34/48/79/742344879.db2.gz FSBGXGFJONRKJB-KRWDZBQOSA-N 1 2 371.282 3.303 20 30 FGEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cn(C(C)C)nn3)c[nH+]c12 ZINC000901525351 743298013 /nfs/dbraw/zinc/29/80/13/743298013.db2.gz KMPYXOVXKDCMDZ-PLNGDYQASA-N 1 2 374.242 3.474 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Oc2ccccc2C#N)n1 ZINC000914607208 757811250 /nfs/dbraw/zinc/81/12/50/757811250.db2.gz LUFQMUDHLUSTCY-ZDUSSCGKSA-N 1 2 358.467 3.263 20 30 FGEDLO COc1cccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000915945080 758009340 /nfs/dbraw/zinc/00/93/40/758009340.db2.gz VSQYTAXGVCXPTF-UHFFFAOYSA-N 1 2 355.467 3.033 20 30 FGEDLO CC(=[NH+]Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N)cc1 ZINC000920376528 758544917 /nfs/dbraw/zinc/54/49/17/758544917.db2.gz LCXKJIBMLPWYIR-UHFFFAOYSA-N 1 2 360.483 3.182 20 30 FGEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCCc4c(Cl)ccnc43)CC2)cn1 ZINC000926822781 759827514 /nfs/dbraw/zinc/82/75/14/759827514.db2.gz LEUDXRDSZDDEKY-GOSISDBHSA-N 1 2 353.857 3.201 20 30 FGEDLO Cc1ccc(C[N@H+](C[C@H](O)CC#N)C[C@H]2CCCO2)c(Br)c1 ZINC000930310964 760576922 /nfs/dbraw/zinc/57/69/22/760576922.db2.gz VCRIEXJICVPDOZ-HZPDHXFCSA-N 1 2 367.287 3.013 20 30 FGEDLO Cc1ccc(C[N@@H+](C[C@H](O)CC#N)C[C@H]2CCCO2)c(Br)c1 ZINC000930310964 760576929 /nfs/dbraw/zinc/57/69/29/760576929.db2.gz VCRIEXJICVPDOZ-HZPDHXFCSA-N 1 2 367.287 3.013 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ncc(Br)cn2)cc1 ZINC000932264556 761113859 /nfs/dbraw/zinc/11/38/59/761113859.db2.gz JLQPLXBMPKFGFK-MRXNPFEDSA-N 1 2 357.255 3.490 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2ncc(Br)cn2)cc1 ZINC000932264556 761113865 /nfs/dbraw/zinc/11/38/65/761113865.db2.gz JLQPLXBMPKFGFK-MRXNPFEDSA-N 1 2 357.255 3.490 20 30 FGEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932360833 761146948 /nfs/dbraw/zinc/14/69/48/761146948.db2.gz HBOLTWBQQAQWNO-MEDUHNTESA-N 1 2 355.829 3.070 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613185 761439687 /nfs/dbraw/zinc/43/96/87/761439687.db2.gz RQKDIKFMERLYMX-UHFFFAOYSA-N 1 2 350.447 3.310 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000933658936 761448370 /nfs/dbraw/zinc/44/83/70/761448370.db2.gz WLJVHEMMSLUPEZ-UHFFFAOYSA-N 1 2 359.813 3.228 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959595 762846614 /nfs/dbraw/zinc/84/66/14/762846614.db2.gz DWRKKSUWOTUGAG-BFYDXBDKSA-N 1 2 355.320 3.446 20 30 FGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959595 762846618 /nfs/dbraw/zinc/84/66/18/762846618.db2.gz DWRKKSUWOTUGAG-BFYDXBDKSA-N 1 2 355.320 3.446 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788958 762929244 /nfs/dbraw/zinc/92/92/44/762929244.db2.gz SWGVMSKCEAVBNW-QLFBSQMISA-N 1 2 369.328 3.293 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788958 762929249 /nfs/dbraw/zinc/92/92/49/762929249.db2.gz SWGVMSKCEAVBNW-QLFBSQMISA-N 1 2 369.328 3.293 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001028142482 766112605 /nfs/dbraw/zinc/11/26/05/766112605.db2.gz MYGWHSANDPQWEY-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001028142482 766112609 /nfs/dbraw/zinc/11/26/09/766112609.db2.gz MYGWHSANDPQWEY-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC001028191933 766118732 /nfs/dbraw/zinc/11/87/32/766118732.db2.gz DFMRAMGNSRLWIK-CEXWTWQISA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1C[C@H]1C1CC1 ZINC001028191933 766118735 /nfs/dbraw/zinc/11/87/35/766118735.db2.gz DFMRAMGNSRLWIK-CEXWTWQISA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001032043007 766194154 /nfs/dbraw/zinc/19/41/54/766194154.db2.gz QWBWUWJYSAPLLH-VQTJNVASSA-N 1 2 356.897 3.176 20 30 FGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001032108114 766194931 /nfs/dbraw/zinc/19/49/31/766194931.db2.gz AADAUCUSHANIIB-QWHCGFSZSA-N 1 2 358.791 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001033432077 766215120 /nfs/dbraw/zinc/21/51/20/766215120.db2.gz LGMKGSUBHVJYNO-IYOUNJFTSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001033432077 766215123 /nfs/dbraw/zinc/21/51/23/766215123.db2.gz LGMKGSUBHVJYNO-IYOUNJFTSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001046844421 766607978 /nfs/dbraw/zinc/60/79/78/766607978.db2.gz AKQIQOUNWQGVSY-PMUMKWKESA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001046844421 766607979 /nfs/dbraw/zinc/60/79/79/766607979.db2.gz AKQIQOUNWQGVSY-PMUMKWKESA-N 1 2 354.828 3.401 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000302115016 257384204 /nfs/dbraw/zinc/38/42/04/257384204.db2.gz REFNTNLRVXEHFS-UHFFFAOYSA-N 1 2 354.479 3.238 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000302115016 257384205 /nfs/dbraw/zinc/38/42/05/257384205.db2.gz REFNTNLRVXEHFS-UHFFFAOYSA-N 1 2 354.479 3.238 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000573621803 505580325 /nfs/dbraw/zinc/58/03/25/505580325.db2.gz MOSZKYFVJWERIO-AWEZNQCLSA-N 1 2 358.467 3.348 20 30 FGEDLO N#CC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CCCCC1 ZINC000594717184 507249616 /nfs/dbraw/zinc/24/96/16/507249616.db2.gz IJGLTKLEALMPNU-AWEZNQCLSA-N 1 2 350.260 3.039 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571162801 505668820 /nfs/dbraw/zinc/66/88/20/505668820.db2.gz MGSUZDWNXFMHST-RDJZCZTQSA-N 1 2 373.819 3.313 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571162801 505668822 /nfs/dbraw/zinc/66/88/22/505668822.db2.gz MGSUZDWNXFMHST-RDJZCZTQSA-N 1 2 373.819 3.313 20 30 FGEDLO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000048051705 493777149 /nfs/dbraw/zinc/77/71/49/493777149.db2.gz ONENDTSXGNZNSJ-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO N#Cc1c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn2ccccc12 ZINC000080906353 493789729 /nfs/dbraw/zinc/78/97/29/493789729.db2.gz FZEYLVPLLBWZJN-JOCHJYFZSA-N 1 2 355.445 3.193 20 30 FGEDLO N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000057782342 493797245 /nfs/dbraw/zinc/79/72/45/493797245.db2.gz IBPUCQQDFBPWAW-UHFFFAOYSA-N 1 2 358.323 3.411 20 30 FGEDLO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000048246360 493807330 /nfs/dbraw/zinc/80/73/30/493807330.db2.gz GJTMOJZRVYFFPU-HNAYVOBHSA-N 1 2 359.433 3.442 20 30 FGEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000081040972 493819667 /nfs/dbraw/zinc/81/96/67/493819667.db2.gz RMCYXDDYYUQGNL-GFCCVEGCSA-N 1 2 361.667 3.078 20 30 FGEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000081040972 493819670 /nfs/dbraw/zinc/81/96/70/493819670.db2.gz RMCYXDDYYUQGNL-GFCCVEGCSA-N 1 2 361.667 3.078 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152873 493833463 /nfs/dbraw/zinc/83/34/63/493833463.db2.gz XHQNWUSOCKGXOS-PMACEKPBSA-N 1 2 359.429 3.054 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1C(=O)c2ccccc2C1=O ZINC000076152873 493833465 /nfs/dbraw/zinc/83/34/65/493833465.db2.gz XHQNWUSOCKGXOS-PMACEKPBSA-N 1 2 359.429 3.054 20 30 FGEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000081158768 493840293 /nfs/dbraw/zinc/84/02/93/493840293.db2.gz XBLVNVKPHFICOY-UHFFFAOYSA-N 1 2 367.840 3.351 20 30 FGEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC000081158768 493840297 /nfs/dbraw/zinc/84/02/97/493840297.db2.gz XBLVNVKPHFICOY-UHFFFAOYSA-N 1 2 367.840 3.351 20 30 FGEDLO C=CCc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc(OC)c1OC ZINC000058401258 493849750 /nfs/dbraw/zinc/84/97/50/493849750.db2.gz YNUYMHNEVCNVDO-UHFFFAOYSA-N 1 2 373.478 3.129 20 30 FGEDLO C=CCc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc(OC)c1OC ZINC000058401258 493849752 /nfs/dbraw/zinc/84/97/52/493849752.db2.gz YNUYMHNEVCNVDO-UHFFFAOYSA-N 1 2 373.478 3.129 20 30 FGEDLO C[C@H](Cc1ccsc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000050156948 493904072 /nfs/dbraw/zinc/90/40/72/493904072.db2.gz PJSRIMFBYMHPOM-MRXNPFEDSA-N 1 2 368.506 3.078 20 30 FGEDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000050991201 493941850 /nfs/dbraw/zinc/94/18/50/493941850.db2.gz CIIZJMLSZMERQA-SNVBAGLBSA-N 1 2 364.446 3.012 20 30 FGEDLO N#CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000070030028 494038779 /nfs/dbraw/zinc/03/87/79/494038779.db2.gz CCJRMKDBQVLYMN-LJQANCHMSA-N 1 2 367.474 3.318 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297589 494040904 /nfs/dbraw/zinc/04/09/04/494040904.db2.gz NLLTVANBBVXXBZ-UHFFFAOYSA-N 1 2 367.449 3.250 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297589 494040907 /nfs/dbraw/zinc/04/09/07/494040907.db2.gz NLLTVANBBVXXBZ-UHFFFAOYSA-N 1 2 367.449 3.250 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OCC)c1)Cc1cccc(C#N)c1 ZINC000063299902 494042100 /nfs/dbraw/zinc/04/21/00/494042100.db2.gz RNMHYLPRRYSCQD-UHFFFAOYSA-N 1 2 363.461 3.261 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cccc(OCC)c1)Cc1cccc(C#N)c1 ZINC000063299902 494042103 /nfs/dbraw/zinc/04/21/03/494042103.db2.gz RNMHYLPRRYSCQD-UHFFFAOYSA-N 1 2 363.461 3.261 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1cccc(C#N)c1 ZINC000063300321 494042162 /nfs/dbraw/zinc/04/21/62/494042162.db2.gz SFNWVFGTNKCHGL-UHFFFAOYSA-N 1 2 369.446 3.033 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1cccc(C#N)c1 ZINC000063300321 494042165 /nfs/dbraw/zinc/04/21/65/494042165.db2.gz SFNWVFGTNKCHGL-UHFFFAOYSA-N 1 2 369.446 3.033 20 30 FGEDLO N#Cc1csc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000084258626 494060203 /nfs/dbraw/zinc/06/02/03/494060203.db2.gz JJXNYBNHCHOXCD-UHFFFAOYSA-N 1 2 350.447 3.379 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000070870116 494062778 /nfs/dbraw/zinc/06/27/78/494062778.db2.gz HBAUEWCXYZUBIC-SCLBCKFNSA-N 1 2 351.878 3.223 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000070870116 494062783 /nfs/dbraw/zinc/06/27/83/494062783.db2.gz HBAUEWCXYZUBIC-SCLBCKFNSA-N 1 2 351.878 3.223 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865657 494069850 /nfs/dbraw/zinc/06/98/50/494069850.db2.gz OFBRYAQQQUAEBZ-QGZVFWFLSA-N 1 2 355.463 3.239 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865657 494069851 /nfs/dbraw/zinc/06/98/51/494069851.db2.gz OFBRYAQQQUAEBZ-QGZVFWFLSA-N 1 2 355.463 3.239 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000053513894 494141772 /nfs/dbraw/zinc/14/17/72/494141772.db2.gz REDOEHKJXLVLNJ-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000042657453 494235241 /nfs/dbraw/zinc/23/52/41/494235241.db2.gz VYVKNTGBOGINIH-HXUWFJFHSA-N 1 2 367.449 3.152 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000012989820 494273677 /nfs/dbraw/zinc/27/36/77/494273677.db2.gz KNQGONKJEGXBLQ-LJQANCHMSA-N 1 2 362.477 3.144 20 30 FGEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000016563864 494394489 /nfs/dbraw/zinc/39/44/89/494394489.db2.gz SFBISZCUHQARFC-UHFFFAOYSA-N 1 2 355.463 3.381 20 30 FGEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000016563864 494394494 /nfs/dbraw/zinc/39/44/94/494394494.db2.gz SFBISZCUHQARFC-UHFFFAOYSA-N 1 2 355.463 3.381 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079256139 494425338 /nfs/dbraw/zinc/42/53/38/494425338.db2.gz FABCWPYESUARGN-INIZCTEOSA-N 1 2 364.449 3.027 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225923 494506693 /nfs/dbraw/zinc/50/66/93/494506693.db2.gz UGYQMWMQWLACCW-CJNGLKHVSA-N 1 2 366.868 3.417 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286181 494511953 /nfs/dbraw/zinc/51/19/53/494511953.db2.gz XYLLPDUZUOWBAI-UHFFFAOYSA-N 1 2 351.454 3.141 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000056512343 494517174 /nfs/dbraw/zinc/51/71/74/494517174.db2.gz ZGGBPTQEFGUUKV-IBGZPJMESA-N 1 2 357.425 3.456 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000056512343 494517180 /nfs/dbraw/zinc/51/71/80/494517180.db2.gz ZGGBPTQEFGUUKV-IBGZPJMESA-N 1 2 357.425 3.456 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000125950266 494586251 /nfs/dbraw/zinc/58/62/51/494586251.db2.gz SEDLTDLMJPYVRG-YJBOKZPZSA-N 1 2 369.465 3.352 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1F ZINC000108406265 494701004 /nfs/dbraw/zinc/70/10/04/494701004.db2.gz DSRWJQWNXZUVAY-YJBOKZPZSA-N 1 2 361.461 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1F ZINC000108406265 494701011 /nfs/dbraw/zinc/70/10/11/494701011.db2.gz DSRWJQWNXZUVAY-YJBOKZPZSA-N 1 2 361.461 3.218 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326948 494762825 /nfs/dbraw/zinc/76/28/25/494762825.db2.gz CHDYDPOIBYQCJO-WMLDXEAASA-N 1 2 365.930 3.438 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116326948 494762832 /nfs/dbraw/zinc/76/28/32/494762832.db2.gz CHDYDPOIBYQCJO-WMLDXEAASA-N 1 2 365.930 3.438 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCN1CC(F)(F)F ZINC000092102860 494791019 /nfs/dbraw/zinc/79/10/19/494791019.db2.gz MOMHYOHCSRPTRY-OAHLLOKOSA-N 1 2 355.404 3.438 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCN1CC(F)(F)F ZINC000092102860 494791025 /nfs/dbraw/zinc/79/10/25/494791025.db2.gz MOMHYOHCSRPTRY-OAHLLOKOSA-N 1 2 355.404 3.438 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000025946790 494792572 /nfs/dbraw/zinc/79/25/72/494792572.db2.gz OZPMEMDURXKVPD-NRFANRHFSA-N 1 2 373.456 3.258 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OC ZINC000075553210 494792694 /nfs/dbraw/zinc/79/26/94/494792694.db2.gz HHCBGAYJQHMCPF-HNNXBMFYSA-N 1 2 355.438 3.175 20 30 FGEDLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025958678 494792838 /nfs/dbraw/zinc/79/28/38/494792838.db2.gz FNSYKWMHRLYAJY-UHFFFAOYSA-N 1 2 361.489 3.452 20 30 FGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000075594278 494801082 /nfs/dbraw/zinc/80/10/82/494801082.db2.gz BARVDXLRWZSYHY-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000075620239 494803692 /nfs/dbraw/zinc/80/36/92/494803692.db2.gz BARFALKQQHRYFB-UHFFFAOYSA-N 1 2 362.389 3.011 20 30 FGEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000075620239 494803696 /nfs/dbraw/zinc/80/36/96/494803696.db2.gz BARFALKQQHRYFB-UHFFFAOYSA-N 1 2 362.389 3.011 20 30 FGEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1OCCc2ccccc21 ZINC000075681505 494815266 /nfs/dbraw/zinc/81/52/66/494815266.db2.gz CEAALGIZYXUAHG-LJQANCHMSA-N 1 2 360.417 3.354 20 30 FGEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1OCCc2ccccc21 ZINC000075681505 494815274 /nfs/dbraw/zinc/81/52/74/494815274.db2.gz CEAALGIZYXUAHG-LJQANCHMSA-N 1 2 360.417 3.354 20 30 FGEDLO C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026296456 494815690 /nfs/dbraw/zinc/81/56/90/494815690.db2.gz CHVQRYGOHJZLRB-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(C#N)c1 ZINC000026323531 494817732 /nfs/dbraw/zinc/81/77/32/494817732.db2.gz OKOMSLXSALLYCD-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(C#N)c1 ZINC000026323531 494817735 /nfs/dbraw/zinc/81/77/35/494817735.db2.gz OKOMSLXSALLYCD-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(I)c1OC ZINC000093091022 494825067 /nfs/dbraw/zinc/82/50/67/494825067.db2.gz FWDAIPDGFVFBFT-JTQLQIEISA-N 1 2 374.222 3.042 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(I)c1OC ZINC000093091022 494825069 /nfs/dbraw/zinc/82/50/69/494825069.db2.gz FWDAIPDGFVFBFT-JTQLQIEISA-N 1 2 374.222 3.042 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109133501 494837019 /nfs/dbraw/zinc/83/70/19/494837019.db2.gz XLCQPIRVJTZSNZ-HXUWFJFHSA-N 1 2 366.486 3.400 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109133501 494837023 /nfs/dbraw/zinc/83/70/23/494837023.db2.gz XLCQPIRVJTZSNZ-HXUWFJFHSA-N 1 2 366.486 3.400 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(Br)c1 ZINC000102639617 495149495 /nfs/dbraw/zinc/14/94/95/495149495.db2.gz NFXRWZJOCUCSPV-HNNXBMFYSA-N 1 2 369.222 3.020 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000119383138 495155715 /nfs/dbraw/zinc/15/57/15/495155715.db2.gz NALWHKNLQORBRE-MRXNPFEDSA-N 1 2 368.437 3.312 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000119383138 495155718 /nfs/dbraw/zinc/15/57/18/495155718.db2.gz NALWHKNLQORBRE-MRXNPFEDSA-N 1 2 368.437 3.312 20 30 FGEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c(C)o1 ZINC000103143232 495198317 /nfs/dbraw/zinc/19/83/17/495198317.db2.gz KUGUUGLNJRRLHH-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO C[C@@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000124097541 495233672 /nfs/dbraw/zinc/23/36/72/495233672.db2.gz JDOONMMHZBMHOM-CRAIPNDOSA-N 1 2 354.479 3.098 20 30 FGEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000103474361 495239769 /nfs/dbraw/zinc/23/97/69/495239769.db2.gz ZVSLJGCHEHKVIC-GOSISDBHSA-N 1 2 367.497 3.194 20 30 FGEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000103474361 495239771 /nfs/dbraw/zinc/23/97/71/495239771.db2.gz ZVSLJGCHEHKVIC-GOSISDBHSA-N 1 2 367.497 3.194 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135152014 495256740 /nfs/dbraw/zinc/25/67/40/495256740.db2.gz SRSREPDDDOPKFU-UHFFFAOYSA-N 1 2 352.482 3.410 20 30 FGEDLO Cn1ncc2c1nc[nH+]c2SCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000135289737 495273507 /nfs/dbraw/zinc/27/35/07/495273507.db2.gz PQJLBEDLXFVHDG-UHFFFAOYSA-N 1 2 364.352 3.406 20 30 FGEDLO COc1ccccc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714879 495300601 /nfs/dbraw/zinc/30/06/01/495300601.db2.gz ZDGFJOCWHJZYDP-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO CC(C)[N@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104948966 495317525 /nfs/dbraw/zinc/31/75/25/495317525.db2.gz YDYKYIOSAWEDAD-UHFFFAOYSA-N 1 2 356.495 3.056 20 30 FGEDLO CC(C)[N@@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000104948966 495317531 /nfs/dbraw/zinc/31/75/31/495317531.db2.gz YDYKYIOSAWEDAD-UHFFFAOYSA-N 1 2 356.495 3.056 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C#N)CC2)C[C@H](C)O1 ZINC000105004859 495324849 /nfs/dbraw/zinc/32/48/49/495324849.db2.gz XWYGVSLVULCESX-HOTGVXAUSA-N 1 2 356.470 3.063 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000571619776 505774839 /nfs/dbraw/zinc/77/48/39/505774839.db2.gz UKMHMVPNKZXSLU-IRXDYDNUSA-N 1 2 366.490 3.094 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c1C#N ZINC000571619776 505774844 /nfs/dbraw/zinc/77/48/44/505774844.db2.gz UKMHMVPNKZXSLU-IRXDYDNUSA-N 1 2 366.490 3.094 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000120426688 495375285 /nfs/dbraw/zinc/37/52/85/495375285.db2.gz ILYDJSIVZUQUQK-UHFFFAOYSA-N 1 2 354.479 3.354 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000120426688 495375287 /nfs/dbraw/zinc/37/52/87/495375287.db2.gz ILYDJSIVZUQUQK-UHFFFAOYSA-N 1 2 354.479 3.354 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000120426951 495375561 /nfs/dbraw/zinc/37/55/61/495375561.db2.gz BFYFQRJEAKWKPV-OAHLLOKOSA-N 1 2 354.479 3.131 20 30 FGEDLO FC(F)(F)c1ccc(C#CCN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000125239265 495411768 /nfs/dbraw/zinc/41/17/68/495411768.db2.gz XONRHTZEFQBNHC-UHFFFAOYSA-N 1 2 359.395 3.270 20 30 FGEDLO C=CCC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000130913020 495465881 /nfs/dbraw/zinc/46/58/81/495465881.db2.gz ZHFIJKAAHRIKEC-VQTJNVASSA-N 1 2 357.498 3.200 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000130985831 495476058 /nfs/dbraw/zinc/47/60/58/495476058.db2.gz JQIUHFYWSJBSCR-KBXCAEBGSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000130985831 495476060 /nfs/dbraw/zinc/47/60/60/495476060.db2.gz JQIUHFYWSJBSCR-KBXCAEBGSA-N 1 2 353.422 3.462 20 30 FGEDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863171 495502166 /nfs/dbraw/zinc/50/21/66/495502166.db2.gz XEWFFGDRQOFSHL-CJNGLKHVSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863171 495502169 /nfs/dbraw/zinc/50/21/69/495502169.db2.gz XEWFFGDRQOFSHL-CJNGLKHVSA-N 1 2 361.511 3.062 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C(N)=O)cc1 ZINC000115597018 495520825 /nfs/dbraw/zinc/52/08/25/495520825.db2.gz ZLZHXYDZYKOHRU-HNNXBMFYSA-N 1 2 351.303 3.032 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CSCc2ccc(C#N)cc2)CC1(C)C ZINC000568834447 505788261 /nfs/dbraw/zinc/78/82/61/505788261.db2.gz KCOGWKGOAACAMT-QGZVFWFLSA-N 1 2 354.479 3.135 20 30 FGEDLO C[N@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176244152 495561149 /nfs/dbraw/zinc/56/11/49/495561149.db2.gz XXMCPJULNUENLI-UHFFFAOYSA-N 1 2 362.882 3.160 20 30 FGEDLO C[N@@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176244152 495561157 /nfs/dbraw/zinc/56/11/57/495561157.db2.gz XXMCPJULNUENLI-UHFFFAOYSA-N 1 2 362.882 3.160 20 30 FGEDLO Cc1cc2[nH+]cn(C[C@@H](O)CN(CCC#N)Cc3ccco3)c2cc1C ZINC000176295520 495584528 /nfs/dbraw/zinc/58/45/28/495584528.db2.gz NOUYTBWFZDWMHD-KRWDZBQOSA-N 1 2 352.438 3.023 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173555158 495586353 /nfs/dbraw/zinc/58/63/53/495586353.db2.gz WJOHSXSCOJAAGB-UHFFFAOYSA-N 1 2 358.442 3.136 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173555158 495586359 /nfs/dbraw/zinc/58/63/59/495586359.db2.gz WJOHSXSCOJAAGB-UHFFFAOYSA-N 1 2 358.442 3.136 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000182669826 495657200 /nfs/dbraw/zinc/65/72/00/495657200.db2.gz INCVAYVXGBPPQC-ZDUSSCGKSA-N 1 2 353.422 3.162 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000182669826 495657204 /nfs/dbraw/zinc/65/72/04/495657204.db2.gz INCVAYVXGBPPQC-ZDUSSCGKSA-N 1 2 353.422 3.162 20 30 FGEDLO C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000150858145 495658592 /nfs/dbraw/zinc/65/85/92/495658592.db2.gz BATWMIYXTWMCRQ-UHFFFAOYSA-N 1 2 369.465 3.401 20 30 FGEDLO C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000150858145 495658597 /nfs/dbraw/zinc/65/85/97/495658597.db2.gz BATWMIYXTWMCRQ-UHFFFAOYSA-N 1 2 369.465 3.401 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cnn(C)c1 ZINC000170985605 495677602 /nfs/dbraw/zinc/67/76/02/495677602.db2.gz RJBAVFJCQJXQHP-OAHLLOKOSA-N 1 2 371.510 3.275 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)Cc1cnn(C)c1 ZINC000170985605 495677606 /nfs/dbraw/zinc/67/76/06/495677606.db2.gz RJBAVFJCQJXQHP-OAHLLOKOSA-N 1 2 371.510 3.275 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000176587032 495710945 /nfs/dbraw/zinc/71/09/45/495710945.db2.gz NHMCEPAWFXXFCQ-CVEARBPZSA-N 1 2 361.511 3.100 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000176587032 495710953 /nfs/dbraw/zinc/71/09/53/495710953.db2.gz NHMCEPAWFXXFCQ-CVEARBPZSA-N 1 2 361.511 3.100 20 30 FGEDLO N#C[C@@]1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC12CCCC2 ZINC000571732632 505800621 /nfs/dbraw/zinc/80/06/21/505800621.db2.gz WGKBBGJJIMCAOP-HXUWFJFHSA-N 1 2 357.885 3.288 20 30 FGEDLO N#C[C@@]1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC12CCCC2 ZINC000571732632 505800624 /nfs/dbraw/zinc/80/06/24/505800624.db2.gz WGKBBGJJIMCAOP-HXUWFJFHSA-N 1 2 357.885 3.288 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173902437 495739346 /nfs/dbraw/zinc/73/93/46/495739346.db2.gz LQFPHDRYNREJLM-HOTGVXAUSA-N 1 2 374.510 3.019 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185977806 495807262 /nfs/dbraw/zinc/80/72/62/495807262.db2.gz OFBSXKCBZNFFMR-GHMZBOCLSA-N 1 2 362.421 3.211 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)nc1 ZINC000179987882 495812607 /nfs/dbraw/zinc/81/26/07/495812607.db2.gz NNLWGQVNXXDXNC-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000180059025 495839980 /nfs/dbraw/zinc/83/99/80/495839980.db2.gz MOZBJSYINRAEPQ-HNNXBMFYSA-N 1 2 361.405 3.485 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165161 495887901 /nfs/dbraw/zinc/88/79/01/495887901.db2.gz ZVLCBIKNUIOJNC-NRFANRHFSA-N 1 2 374.444 3.238 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165161 495887909 /nfs/dbraw/zinc/88/79/09/495887909.db2.gz ZVLCBIKNUIOJNC-NRFANRHFSA-N 1 2 374.444 3.238 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc(OC)c1 ZINC000155269162 495897701 /nfs/dbraw/zinc/89/77/01/495897701.db2.gz QUNYMZDSOSSEQW-NRFANRHFSA-N 1 2 351.450 3.086 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000155298220 495909153 /nfs/dbraw/zinc/90/91/53/495909153.db2.gz DYFCPIYOLRDEAX-SWLSCSKDSA-N 1 2 355.360 3.172 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000155298220 495909160 /nfs/dbraw/zinc/90/91/60/495909160.db2.gz DYFCPIYOLRDEAX-SWLSCSKDSA-N 1 2 355.360 3.172 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174325313 495910999 /nfs/dbraw/zinc/91/09/99/495910999.db2.gz KWZUTRWSIQFTJR-LSDHHAIUSA-N 1 2 372.469 3.209 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174333675 495914964 /nfs/dbraw/zinc/91/49/64/495914964.db2.gz XVXUWPCYTZIWMR-KGLIPLIRSA-N 1 2 360.433 3.339 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ccn[nH]3)C1)CCC2 ZINC000171630612 495956329 /nfs/dbraw/zinc/95/63/29/495956329.db2.gz VVPWISPCCJVNRK-CYBMUJFWSA-N 1 2 369.494 3.040 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3ccn[nH]3)C1)CCC2 ZINC000171630612 495956334 /nfs/dbraw/zinc/95/63/34/495956334.db2.gz VVPWISPCCJVNRK-CYBMUJFWSA-N 1 2 369.494 3.040 20 30 FGEDLO CC(=O)c1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174486217 495980257 /nfs/dbraw/zinc/98/02/57/495980257.db2.gz UMZHRNVHZXYAOC-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO CC(=O)c1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174486217 495980258 /nfs/dbraw/zinc/98/02/58/495980258.db2.gz UMZHRNVHZXYAOC-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000577907471 505816082 /nfs/dbraw/zinc/81/60/82/505816082.db2.gz BTWZYKPBGUGPKI-JXFKEZNVSA-N 1 2 353.466 3.401 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492085 496020189 /nfs/dbraw/zinc/02/01/89/496020189.db2.gz VTSGIJFHEZRDIL-LBPRGKRZSA-N 1 2 353.388 3.267 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492085 496020192 /nfs/dbraw/zinc/02/01/92/496020192.db2.gz VTSGIJFHEZRDIL-LBPRGKRZSA-N 1 2 353.388 3.267 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000177397012 496046506 /nfs/dbraw/zinc/04/65/06/496046506.db2.gz ZDTYIFWSMYLMLQ-MRXNPFEDSA-N 1 2 353.447 3.296 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000177397012 496046513 /nfs/dbraw/zinc/04/65/13/496046513.db2.gz ZDTYIFWSMYLMLQ-MRXNPFEDSA-N 1 2 353.447 3.296 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000571847607 505826736 /nfs/dbraw/zinc/82/67/36/505826736.db2.gz WDBXUCYLGQHIIQ-UKPHBRMFSA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000571847607 505826741 /nfs/dbraw/zinc/82/67/41/505826741.db2.gz WDBXUCYLGQHIIQ-UKPHBRMFSA-N 1 2 354.410 3.007 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152397618 496138824 /nfs/dbraw/zinc/13/88/24/496138824.db2.gz FVGNMJRITRGIQF-CSMYWGQOSA-N 1 2 354.853 3.322 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152397618 496138829 /nfs/dbraw/zinc/13/88/29/496138829.db2.gz FVGNMJRITRGIQF-CSMYWGQOSA-N 1 2 354.853 3.322 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000177631321 496139042 /nfs/dbraw/zinc/13/90/42/496139042.db2.gz QMMUTGRECPCWTQ-GOSISDBHSA-N 1 2 365.477 3.018 20 30 FGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000177725725 496173877 /nfs/dbraw/zinc/17/38/77/496173877.db2.gz FZUXIINVQMTOAR-HOCLYGCPSA-N 1 2 354.458 3.426 20 30 FGEDLO CCOC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180938720 496208773 /nfs/dbraw/zinc/20/87/73/496208773.db2.gz LQDZSZXVJXHQFQ-UHFFFAOYSA-N 1 2 351.244 3.096 20 30 FGEDLO C#CCC(C)(C)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000184102552 496239059 /nfs/dbraw/zinc/23/90/59/496239059.db2.gz LTJGCLDPXRZATB-UHFFFAOYSA-N 1 2 372.900 3.072 20 30 FGEDLO C#CCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000184102552 496239067 /nfs/dbraw/zinc/23/90/67/496239067.db2.gz LTJGCLDPXRZATB-UHFFFAOYSA-N 1 2 372.900 3.072 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156550236 496276300 /nfs/dbraw/zinc/27/63/00/496276300.db2.gz XCTSTXLFMFPIKR-ZWKOTPCHSA-N 1 2 365.905 3.319 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156550236 496276304 /nfs/dbraw/zinc/27/63/04/496276304.db2.gz XCTSTXLFMFPIKR-ZWKOTPCHSA-N 1 2 365.905 3.319 20 30 FGEDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336429 496338454 /nfs/dbraw/zinc/33/84/54/496338454.db2.gz NOKKBXJZWSCEJM-ZIAGYGMSSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162336429 496338458 /nfs/dbraw/zinc/33/84/58/496338458.db2.gz NOKKBXJZWSCEJM-ZIAGYGMSSA-N 1 2 361.511 3.062 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000184605584 496461216 /nfs/dbraw/zinc/46/12/16/496461216.db2.gz ROFNZNXMJHFEOO-INIZCTEOSA-N 1 2 369.425 3.066 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CC[S@](=O)C(CC)(CC)C2)cc(OC)c1O ZINC000187555135 496488644 /nfs/dbraw/zinc/48/86/44/496488644.db2.gz BSIIKDJPGAFNHB-DEOSSOPVSA-N 1 2 351.512 3.252 20 30 FGEDLO C=CCc1cc(C[N@H+]2CC[S@](=O)C(CC)(CC)C2)cc(OC)c1O ZINC000187555135 496488649 /nfs/dbraw/zinc/48/86/49/496488649.db2.gz BSIIKDJPGAFNHB-DEOSSOPVSA-N 1 2 351.512 3.252 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)c(F)c1 ZINC000163374637 496506260 /nfs/dbraw/zinc/50/62/60/496506260.db2.gz XICPNKPPHCVULI-UHFFFAOYSA-N 1 2 354.360 3.300 20 30 FGEDLO C[N@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000157777172 496551944 /nfs/dbraw/zinc/55/19/44/496551944.db2.gz IWHWJMCZZHHCGK-UHFFFAOYSA-N 1 2 374.535 3.458 20 30 FGEDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000157777172 496551946 /nfs/dbraw/zinc/55/19/46/496551946.db2.gz IWHWJMCZZHHCGK-UHFFFAOYSA-N 1 2 374.535 3.458 20 30 FGEDLO CCOC1CC(CNc2cccc(C(F)F)c2C#N)([NH+]2CCOCC2)C1 ZINC000580844396 505851798 /nfs/dbraw/zinc/85/17/98/505851798.db2.gz PGMPWDVZFWJCOG-UHFFFAOYSA-N 1 2 365.424 3.178 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000164089308 496585180 /nfs/dbraw/zinc/58/51/80/496585180.db2.gz VRBIKTQHZWHRLB-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000157994339 496603926 /nfs/dbraw/zinc/60/39/26/496603926.db2.gz ILGMLSLIVDSRQE-KZNAEPCWSA-N 1 2 369.383 3.205 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000157994339 496603928 /nfs/dbraw/zinc/60/39/28/496603928.db2.gz ILGMLSLIVDSRQE-KZNAEPCWSA-N 1 2 369.383 3.205 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCOC2(CCCC2)C1)c1cccc(Cl)c1 ZINC000158004986 496606382 /nfs/dbraw/zinc/60/63/82/496606382.db2.gz WEOZTHTXHMJNRX-UHFFFAOYSA-N 1 2 361.873 3.232 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCOC2(CCCC2)C1)c1cccc(Cl)c1 ZINC000158004986 496606386 /nfs/dbraw/zinc/60/63/86/496606386.db2.gz WEOZTHTXHMJNRX-UHFFFAOYSA-N 1 2 361.873 3.232 20 30 FGEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000178939255 496623744 /nfs/dbraw/zinc/62/37/44/496623744.db2.gz PTIYSORRKUJWOS-UHFFFAOYSA-N 1 2 361.361 3.319 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000185194399 496699710 /nfs/dbraw/zinc/69/97/10/496699710.db2.gz YNQYPRBQGQMPSA-HUUCEWRRSA-N 1 2 369.469 3.353 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000185306311 496726952 /nfs/dbraw/zinc/72/69/52/496726952.db2.gz ISHOQTVSWJEDPU-HNAYVOBHSA-N 1 2 367.399 3.431 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](c4c(F)cccc4F)C3)C2=O)cc1 ZINC000185306311 496726955 /nfs/dbraw/zinc/72/69/55/496726955.db2.gz ISHOQTVSWJEDPU-HNAYVOBHSA-N 1 2 367.399 3.431 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C1CC1 ZINC000268602561 496743883 /nfs/dbraw/zinc/74/38/83/496743883.db2.gz VEBYCDQYQZJQLH-UXHICEINSA-N 1 2 368.868 3.222 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000191435850 496761327 /nfs/dbraw/zinc/76/13/27/496761327.db2.gz WTWYUMHXBPXKSK-IRXDYDNUSA-N 1 2 371.462 3.062 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000191435850 496761333 /nfs/dbraw/zinc/76/13/33/496761333.db2.gz WTWYUMHXBPXKSK-IRXDYDNUSA-N 1 2 371.462 3.062 20 30 FGEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4nccc(C#N)c4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000273308425 496770474 /nfs/dbraw/zinc/77/04/74/496770474.db2.gz MZMUUDCOACZUQC-CQSZACIVSA-N 1 2 362.393 3.430 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000195056838 496806863 /nfs/dbraw/zinc/80/68/63/496806863.db2.gz RJSXUSLJYGZFHE-PKOBYXMFSA-N 1 2 365.458 3.134 20 30 FGEDLO COc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccccn2)cc1Cl ZINC000268935785 496828657 /nfs/dbraw/zinc/82/86/57/496828657.db2.gz GWWLMRGMGOWXEI-UHFFFAOYSA-N 1 2 372.856 3.488 20 30 FGEDLO COc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccccn2)cc1Cl ZINC000268935785 496828658 /nfs/dbraw/zinc/82/86/58/496828658.db2.gz GWWLMRGMGOWXEI-UHFFFAOYSA-N 1 2 372.856 3.488 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188572904 496836259 /nfs/dbraw/zinc/83/62/59/496836259.db2.gz UACQUPOPRNOOHG-AWEZNQCLSA-N 1 2 369.852 3.436 20 30 FGEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)CC2)cc1 ZINC000188666805 496870171 /nfs/dbraw/zinc/87/01/71/496870171.db2.gz SFEUIBURCBJABT-UHFFFAOYSA-N 1 2 363.436 3.073 20 30 FGEDLO Cc1cc(C#N)nc(N[C@@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)n1 ZINC000574875858 505873655 /nfs/dbraw/zinc/87/36/55/505873655.db2.gz BHMVGBYJNGZFGH-CYBMUJFWSA-N 1 2 366.375 3.225 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000269414609 496941533 /nfs/dbraw/zinc/94/15/33/496941533.db2.gz HAZSRHWTNLMVNS-SRGMZFCMSA-N 1 2 373.478 3.137 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000269414609 496941538 /nfs/dbraw/zinc/94/15/38/496941538.db2.gz HAZSRHWTNLMVNS-SRGMZFCMSA-N 1 2 373.478 3.137 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018259 496979823 /nfs/dbraw/zinc/97/98/23/496979823.db2.gz SGMIRLVGGNNINQ-AEFFLSMTSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018259 496979826 /nfs/dbraw/zinc/97/98/26/496979826.db2.gz SGMIRLVGGNNINQ-AEFFLSMTSA-N 1 2 373.815 3.232 20 30 FGEDLO C=C(C)[C@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)OCC ZINC000270017588 497041856 /nfs/dbraw/zinc/04/18/56/497041856.db2.gz HTZGKGXFWHUMOB-SFHVURJKSA-N 1 2 357.454 3.093 20 30 FGEDLO Cc1csc([C@H](C#N)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000572068725 505881098 /nfs/dbraw/zinc/88/10/98/505881098.db2.gz OAXBZYICTHLTCW-MRXNPFEDSA-N 1 2 357.504 3.490 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000270045461 497046960 /nfs/dbraw/zinc/04/69/60/497046960.db2.gz DFGJSOWDCUABJH-KRWDZBQOSA-N 1 2 359.433 3.225 20 30 FGEDLO C[C@@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)n1cc[nH+]c1 ZINC000569225490 505883176 /nfs/dbraw/zinc/88/31/76/505883176.db2.gz IDXWCVCVKFFRGX-NSHDSACASA-N 1 2 352.316 3.286 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000574945836 505888255 /nfs/dbraw/zinc/88/82/55/505888255.db2.gz CDCKRUISCYROHN-UHFFFAOYSA-N 1 2 374.444 3.028 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643891 497173419 /nfs/dbraw/zinc/17/34/19/497173419.db2.gz QUSZXXQBYSFKAG-NGEICVOHSA-N 1 2 372.469 3.346 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643891 497173423 /nfs/dbraw/zinc/17/34/23/497173423.db2.gz QUSZXXQBYSFKAG-NGEICVOHSA-N 1 2 372.469 3.346 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccon3)sc2C1 ZINC000265846971 497192840 /nfs/dbraw/zinc/19/28/40/497192840.db2.gz XVMHXDIEKHBXHM-GFCCVEGCSA-N 1 2 358.467 3.193 20 30 FGEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccon3)sc2C1 ZINC000265846971 497192846 /nfs/dbraw/zinc/19/28/46/497192846.db2.gz XVMHXDIEKHBXHM-GFCCVEGCSA-N 1 2 358.467 3.193 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)c1 ZINC000265987484 497225908 /nfs/dbraw/zinc/22/59/08/497225908.db2.gz HJTYUKQKAYGQNI-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)on1 ZINC000266112560 497258842 /nfs/dbraw/zinc/25/88/42/497258842.db2.gz TZGAENKFMYAQHN-UHFFFAOYSA-N 1 2 367.840 3.379 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000278977155 497288518 /nfs/dbraw/zinc/28/85/18/497288518.db2.gz QSEWFEVAVZPWBK-VIFPVBQESA-N 1 2 354.357 3.323 20 30 FGEDLO C=CCOc1ccccc1C[NH2+]Cc1c(Br)c(C)nn1C ZINC000279114202 497337154 /nfs/dbraw/zinc/33/71/54/497337154.db2.gz KUQVRKKALANQDY-UHFFFAOYSA-N 1 2 350.260 3.346 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-])CCCC2 ZINC000275501798 497345634 /nfs/dbraw/zinc/34/56/34/497345634.db2.gz CLRBGFFLYIQURS-QGZVFWFLSA-N 1 2 351.410 3.420 20 30 FGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1F ZINC000190324940 497437594 /nfs/dbraw/zinc/43/75/94/497437594.db2.gz DTRZFOMMRUGGRP-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000279615890 497487611 /nfs/dbraw/zinc/48/76/11/497487611.db2.gz XIVTWTIGLCBXGM-UHFFFAOYSA-N 1 2 370.403 3.389 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193948079 497529945 /nfs/dbraw/zinc/52/99/45/497529945.db2.gz VIVRIKKELVIOPM-UHFFFAOYSA-N 1 2 360.417 3.026 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805957 497547793 /nfs/dbraw/zinc/54/77/93/497547793.db2.gz PMAIUAJLZLJSEO-XNJGSVPQSA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](C)O2 ZINC000279805957 497547800 /nfs/dbraw/zinc/54/78/00/497547800.db2.gz PMAIUAJLZLJSEO-XNJGSVPQSA-N 1 2 365.271 3.089 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000191076116 497701127 /nfs/dbraw/zinc/70/11/27/497701127.db2.gz WBWJJRXPNKLNQV-CYBMUJFWSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000191076116 497701130 /nfs/dbraw/zinc/70/11/30/497701130.db2.gz WBWJJRXPNKLNQV-CYBMUJFWSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000191143349 497722473 /nfs/dbraw/zinc/72/24/73/497722473.db2.gz AXLMWJJWZTXXRB-OLZOCXBDSA-N 1 2 361.511 3.305 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000191143349 497722477 /nfs/dbraw/zinc/72/24/77/497722477.db2.gz AXLMWJJWZTXXRB-OLZOCXBDSA-N 1 2 361.511 3.305 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)c2ccccc2[nH+]1 ZINC000194679445 497737793 /nfs/dbraw/zinc/73/77/93/497737793.db2.gz WZJDBNFTDQRYRC-UHFFFAOYSA-N 1 2 367.430 3.478 20 30 FGEDLO Cc1csc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246631663 497791601 /nfs/dbraw/zinc/79/16/01/497791601.db2.gz ZNHIEJPIBBZUEG-GJZGRUSLSA-N 1 2 372.519 3.370 20 30 FGEDLO Cc1csc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000246631663 497791603 /nfs/dbraw/zinc/79/16/03/497791603.db2.gz ZNHIEJPIBBZUEG-GJZGRUSLSA-N 1 2 372.519 3.370 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOCC2(CCC2)C1)c1ccccc1F ZINC000329539351 497823692 /nfs/dbraw/zinc/82/36/92/497823692.db2.gz VZWAOPFIZQFWIC-QGZVFWFLSA-N 1 2 372.444 3.065 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CCCCOc2cccc(C#N)c2)CC1(C)C ZINC000295884016 497840543 /nfs/dbraw/zinc/84/05/43/497840543.db2.gz MEWUVZULFKQBDT-LJQANCHMSA-N 1 2 366.465 3.451 20 30 FGEDLO C[C@]1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)OCCc2sccc21 ZINC000329630719 497850964 /nfs/dbraw/zinc/85/09/64/497850964.db2.gz RBCHREORPVYNID-GOSISDBHSA-N 1 2 360.483 3.053 20 30 FGEDLO C[C@]1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)OCCc2sccc21 ZINC000329630719 497850970 /nfs/dbraw/zinc/85/09/70/497850970.db2.gz RBCHREORPVYNID-GOSISDBHSA-N 1 2 360.483 3.053 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc3c2OCO3)CC1 ZINC000329724017 497880040 /nfs/dbraw/zinc/88/00/40/497880040.db2.gz FSYNXEPAFHBFHF-CYBMUJFWSA-N 1 2 359.451 3.401 20 30 FGEDLO Cc1cc(N2CCC([C@H](O)C(=O)NC3CC3)CC2)c2cccc(F)c2[nH+]1 ZINC000329733101 497883172 /nfs/dbraw/zinc/88/31/72/497883172.db2.gz QQCAUPWQCKZARM-IBGZPJMESA-N 1 2 357.429 3.379 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nccn3C(F)F)CC2)c1 ZINC000299672236 497889445 /nfs/dbraw/zinc/88/94/45/497889445.db2.gz UWSWFZAYVWNDGH-UHFFFAOYSA-N 1 2 359.380 3.001 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280817752 497909887 /nfs/dbraw/zinc/90/98/87/497909887.db2.gz NDDPHVUWDJMLDC-LJQANCHMSA-N 1 2 371.444 3.105 20 30 FGEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2cccc3ccsc32)CC1 ZINC000329845013 497923115 /nfs/dbraw/zinc/92/31/15/497923115.db2.gz XWCFJCYISTWBQL-ZDUSSCGKSA-N 1 2 357.479 3.167 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H](C2CC2)O1 ZINC000329912213 497949309 /nfs/dbraw/zinc/94/93/09/497949309.db2.gz OFEYTSADEWWOAY-CRAIPNDOSA-N 1 2 358.486 3.159 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H](C2CC2)O1 ZINC000329912213 497949316 /nfs/dbraw/zinc/94/93/16/497949316.db2.gz OFEYTSADEWWOAY-CRAIPNDOSA-N 1 2 358.486 3.159 20 30 FGEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000329927137 497955432 /nfs/dbraw/zinc/95/54/32/497955432.db2.gz WSUURTGLETUQQG-YOEHRIQHSA-N 1 2 374.872 3.166 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000280944147 497959725 /nfs/dbraw/zinc/95/97/25/497959725.db2.gz IYALTZHBSFGRGK-UHFFFAOYSA-N 1 2 363.421 3.162 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CC[C@H](C)CC2)on1 ZINC000329972786 497976448 /nfs/dbraw/zinc/97/64/48/497976448.db2.gz ZFZKEOYWUAOTGI-HJWJTTGWSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H]2CC[C@H](C)CC2)on1 ZINC000329972786 497976454 /nfs/dbraw/zinc/97/64/54/497976454.db2.gz ZFZKEOYWUAOTGI-HJWJTTGWSA-N 1 2 366.481 3.320 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329993571 497984156 /nfs/dbraw/zinc/98/41/56/497984156.db2.gz LMUUVYMEYLDWIW-IAGOWNOFSA-N 1 2 373.888 3.343 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)C1CCOCC1 ZINC000285074571 497986571 /nfs/dbraw/zinc/98/65/71/497986571.db2.gz PHYOBJGEFKWSBT-AQKVLALTSA-N 1 2 364.449 3.072 20 30 FGEDLO CCN1CCN(C(=O)Nc2nc3c(s2)CCCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330042948 498000570 /nfs/dbraw/zinc/00/05/70/498000570.db2.gz DYCURZCENMMZBB-CQSZACIVSA-N 1 2 374.514 3.059 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075592 498012339 /nfs/dbraw/zinc/01/23/39/498012339.db2.gz LXDWXPVGOSOZDU-YVEFUNNKSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075592 498012342 /nfs/dbraw/zinc/01/23/42/498012342.db2.gz LXDWXPVGOSOZDU-YVEFUNNKSA-N 1 2 353.488 3.006 20 30 FGEDLO CC(C)n1ncc2c1C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC2 ZINC000330118144 498028666 /nfs/dbraw/zinc/02/86/66/498028666.db2.gz YBOUDGHLKITSII-HZPDHXFCSA-N 1 2 356.474 3.186 20 30 FGEDLO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000330124969 498030201 /nfs/dbraw/zinc/03/02/01/498030201.db2.gz CNJPIQUCYOBLBJ-VQIMIIECSA-N 1 2 369.469 3.040 20 30 FGEDLO CN(C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1)C1CCCCC1 ZINC000301270341 498030712 /nfs/dbraw/zinc/03/07/12/498030712.db2.gz JRYQHKWYGDCJOP-UHFFFAOYSA-N 1 2 374.916 3.125 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132244 498032753 /nfs/dbraw/zinc/03/27/53/498032753.db2.gz QGHBKEAERIGGAJ-XFQAVAEZSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132244 498032755 /nfs/dbraw/zinc/03/27/55/498032755.db2.gz QGHBKEAERIGGAJ-XFQAVAEZSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132245 498032970 /nfs/dbraw/zinc/03/29/70/498032970.db2.gz QGHBKEAERIGGAJ-ZOCZFRKYSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132245 498032973 /nfs/dbraw/zinc/03/29/73/498032973.db2.gz QGHBKEAERIGGAJ-ZOCZFRKYSA-N 1 2 369.465 3.481 20 30 FGEDLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000330151171 498041913 /nfs/dbraw/zinc/04/19/13/498041913.db2.gz NLTRDVFJBNDWIM-KRWDZBQOSA-N 1 2 364.445 3.330 20 30 FGEDLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000330151171 498041918 /nfs/dbraw/zinc/04/19/18/498041918.db2.gz NLTRDVFJBNDWIM-KRWDZBQOSA-N 1 2 364.445 3.330 20 30 FGEDLO CCOC1(C)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000330202427 498059998 /nfs/dbraw/zinc/05/99/98/498059998.db2.gz ZGWRTYNFLKAPPF-HNNXBMFYSA-N 1 2 362.518 3.300 20 30 FGEDLO O=C(NCC1CC(F)(F)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330205857 498060905 /nfs/dbraw/zinc/06/09/05/498060905.db2.gz DTBROXQCYCCMJC-UHFFFAOYSA-N 1 2 352.429 3.358 20 30 FGEDLO Cc1cc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)cnc1N1CCCC[C@@H]1C ZINC000330226449 498068499 /nfs/dbraw/zinc/06/84/99/498068499.db2.gz BMQQYURQSFGBRD-JKSUJKDBSA-N 1 2 368.485 3.306 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cnc1N1CCCC[C@@H]1C ZINC000330226449 498068505 /nfs/dbraw/zinc/06/85/05/498068505.db2.gz BMQQYURQSFGBRD-JKSUJKDBSA-N 1 2 368.485 3.306 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)cs1 ZINC000575427691 505975470 /nfs/dbraw/zinc/97/54/70/505975470.db2.gz YLQITJDYDOYYIA-UHFFFAOYSA-N 1 2 355.511 3.025 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000285535414 498120014 /nfs/dbraw/zinc/12/00/14/498120014.db2.gz FQFAHSVXZVBQCS-IXVUQVCVSA-N 1 2 364.440 3.330 20 30 FGEDLO C[C@H]1CC(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[C@H](C)C1 ZINC000330588242 498155874 /nfs/dbraw/zinc/15/58/74/498155874.db2.gz OMDDGKYNRPIMOV-HUUCEWRRSA-N 1 2 366.527 3.151 20 30 FGEDLO N#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000301545474 498155972 /nfs/dbraw/zinc/15/59/72/498155972.db2.gz OSBOCSOZOVXOAF-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO Cc1nc(N[C@@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)ccc1C#N ZINC000569674659 505989822 /nfs/dbraw/zinc/98/98/22/505989822.db2.gz LRDXSFRHLKVUGP-OAHLLOKOSA-N 1 2 365.387 3.252 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000330861650 498206883 /nfs/dbraw/zinc/20/68/83/498206883.db2.gz VMOBRMDHLXLSMN-OBJOEFQTSA-N 1 2 350.260 3.366 20 30 FGEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301766361 498256658 /nfs/dbraw/zinc/25/66/58/498256658.db2.gz HGRJHAQPYUCMCG-AWEZNQCLSA-N 1 2 360.377 3.100 20 30 FGEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000289760527 498280964 /nfs/dbraw/zinc/28/09/64/498280964.db2.gz QHWWGJJSSZQFFH-GFCCVEGCSA-N 1 2 362.886 3.044 20 30 FGEDLO CC(=O)CC(C)(C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000365074020 498284317 /nfs/dbraw/zinc/28/43/17/498284317.db2.gz XQHLEDSLLBPHDC-UHFFFAOYSA-N 1 2 355.482 3.056 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000281903198 498312344 /nfs/dbraw/zinc/31/23/44/498312344.db2.gz FUASMNCNGMPZOK-AWEZNQCLSA-N 1 2 370.280 3.041 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000281903198 498312354 /nfs/dbraw/zinc/31/23/54/498312354.db2.gz FUASMNCNGMPZOK-AWEZNQCLSA-N 1 2 370.280 3.041 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520071 506006405 /nfs/dbraw/zinc/00/64/05/506006405.db2.gz FCEGKZHYGCKPQY-INWMFGNUSA-N 1 2 352.356 3.351 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520071 506006410 /nfs/dbraw/zinc/00/64/10/506006410.db2.gz FCEGKZHYGCKPQY-INWMFGNUSA-N 1 2 352.356 3.351 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000365244816 498370688 /nfs/dbraw/zinc/37/06/88/498370688.db2.gz UHGWHWVWNKZZNY-NSPYISDASA-N 1 2 371.799 3.030 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000365244816 498370693 /nfs/dbraw/zinc/37/06/93/498370693.db2.gz UHGWHWVWNKZZNY-NSPYISDASA-N 1 2 371.799 3.030 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361325883 498376112 /nfs/dbraw/zinc/37/61/12/498376112.db2.gz PZEMSFGHGVWSRA-UHFFFAOYSA-N 1 2 372.432 3.037 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331569116 498376486 /nfs/dbraw/zinc/37/64/86/498376486.db2.gz NXVOQGIDVFDKGU-OXJNMPFZSA-N 1 2 354.454 3.409 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331569116 498376495 /nfs/dbraw/zinc/37/64/95/498376495.db2.gz NXVOQGIDVFDKGU-OXJNMPFZSA-N 1 2 354.454 3.409 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331592724 498386112 /nfs/dbraw/zinc/38/61/12/498386112.db2.gz MXRWRRRISWXMEU-LIRRHRJNSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c1C#N ZINC000331592724 498386117 /nfs/dbraw/zinc/38/61/17/498386117.db2.gz MXRWRRRISWXMEU-LIRRHRJNSA-N 1 2 372.513 3.123 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000293446925 498387584 /nfs/dbraw/zinc/38/75/84/498387584.db2.gz PEKXXZSJAXNNGX-CYBMUJFWSA-N 1 2 366.918 3.408 20 30 FGEDLO N#CC1CCC(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000282194351 498418580 /nfs/dbraw/zinc/41/85/80/498418580.db2.gz LDZSQKAGTYWYDB-UHFFFAOYSA-N 1 2 367.453 3.414 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C1CC1 ZINC000576060376 506066705 /nfs/dbraw/zinc/06/67/05/506066705.db2.gz NGHWEDPNTNEGHS-IBGZPJMESA-N 1 2 352.438 3.108 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232800 498716660 /nfs/dbraw/zinc/71/66/60/498716660.db2.gz XRRHRKIWLNLJTM-KKSFZXQISA-N 1 2 371.444 3.187 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232800 498716666 /nfs/dbraw/zinc/71/66/66/498716666.db2.gz XRRHRKIWLNLJTM-KKSFZXQISA-N 1 2 371.444 3.187 20 30 FGEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000291032733 498764614 /nfs/dbraw/zinc/76/46/14/498764614.db2.gz ZAOOGUDRFWUXIY-AWEZNQCLSA-N 1 2 370.478 3.114 20 30 FGEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000291032733 498764620 /nfs/dbraw/zinc/76/46/20/498764620.db2.gz ZAOOGUDRFWUXIY-AWEZNQCLSA-N 1 2 370.478 3.114 20 30 FGEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2noc(-c3cccs3)n2)cc1 ZINC000294928615 498853185 /nfs/dbraw/zinc/85/31/85/498853185.db2.gz GDDLVMKUDWZSAX-UHFFFAOYSA-N 1 2 353.451 3.438 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000333052728 498884144 /nfs/dbraw/zinc/88/41/44/498884144.db2.gz BVQRDVBCUSSVOY-QUCCMNQESA-N 1 2 368.481 3.425 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3cccs3)C1)CCC2 ZINC000328656656 498891029 /nfs/dbraw/zinc/89/10/29/498891029.db2.gz OBSKDLGAZTTZHI-GJZGRUSLSA-N 1 2 360.483 3.118 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366435671 498926249 /nfs/dbraw/zinc/92/62/49/498926249.db2.gz HZZHKSCQAASFTO-KRWDZBQOSA-N 1 2 364.449 3.168 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366435671 498926255 /nfs/dbraw/zinc/92/62/55/498926255.db2.gz HZZHKSCQAASFTO-KRWDZBQOSA-N 1 2 364.449 3.168 20 30 FGEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000283604354 498935881 /nfs/dbraw/zinc/93/58/81/498935881.db2.gz MMNDZJJJDLPRPB-HNNXBMFYSA-N 1 2 372.542 3.461 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CCO[C@H]1C1CC1 ZINC000328826026 498951133 /nfs/dbraw/zinc/95/11/33/498951133.db2.gz HVZQANUSJRMVAG-ICSRJNTNSA-N 1 2 364.449 3.304 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1coc(C2CCCC2)n1 ZINC000328839583 498956561 /nfs/dbraw/zinc/95/65/61/498956561.db2.gz YUGPFGXVJDUHCF-UHFFFAOYSA-N 1 2 356.426 3.069 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000328883825 498972371 /nfs/dbraw/zinc/97/23/71/498972371.db2.gz YECLTYVBQWJMII-GDBMZVCRSA-N 1 2 354.454 3.426 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCO[C@@H](C)C3)n2)C1 ZINC000328892747 498976310 /nfs/dbraw/zinc/97/63/10/498976310.db2.gz UMLNKYMJULXVGK-KGLIPLIRSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCO[C@@H](C)C3)n2)C1 ZINC000328892747 498976313 /nfs/dbraw/zinc/97/63/13/498976313.db2.gz UMLNKYMJULXVGK-KGLIPLIRSA-N 1 2 352.504 3.031 20 30 FGEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328933615 498990125 /nfs/dbraw/zinc/99/01/25/498990125.db2.gz PTBFSPKTDQHMCN-ZDUSSCGKSA-N 1 2 361.829 3.417 20 30 FGEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000328955645 498998752 /nfs/dbraw/zinc/99/87/52/498998752.db2.gz NHNIXKVMCVYODY-QWQRMKEZSA-N 1 2 355.486 3.092 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)C2 ZINC000328974529 499003367 /nfs/dbraw/zinc/00/33/67/499003367.db2.gz VWZJJQVMIZORGF-RHSMWYFYSA-N 1 2 362.518 3.409 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000366618934 499006227 /nfs/dbraw/zinc/00/62/27/499006227.db2.gz CQMUTQLCTJCCOJ-UHFFFAOYSA-N 1 2 359.433 3.142 20 30 FGEDLO Cc1cnc([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000366629075 499009606 /nfs/dbraw/zinc/00/96/06/499009606.db2.gz IXCWACKGRLLUEJ-KRWDZBQOSA-N 1 2 354.479 3.167 20 30 FGEDLO Cc1cnc([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000366629075 499009612 /nfs/dbraw/zinc/00/96/12/499009612.db2.gz IXCWACKGRLLUEJ-KRWDZBQOSA-N 1 2 354.479 3.167 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000363829576 499014835 /nfs/dbraw/zinc/01/48/35/499014835.db2.gz ZMGIVFAJALMIDS-MOPGFXCFSA-N 1 2 359.433 3.316 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000329040912 499022223 /nfs/dbraw/zinc/02/22/23/499022223.db2.gz SQXSTKDSNBHCKS-DDUZABMNSA-N 1 2 358.486 3.397 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2ccccc2Cl)CCC(=O)N1C1CC1 ZINC000329044411 499024163 /nfs/dbraw/zinc/02/41/63/499024163.db2.gz JDOPLUWXJNKMKJ-CRAIPNDOSA-N 1 2 372.856 3.273 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)CCC2 ZINC000329096850 499040625 /nfs/dbraw/zinc/04/06/25/499040625.db2.gz YHFMVLCKGGYNNZ-OTWHNJEPSA-N 1 2 368.481 3.350 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329151286 499056583 /nfs/dbraw/zinc/05/65/83/499056583.db2.gz AAQQYWRPIGAZAH-MISYRCLQSA-N 1 2 358.482 3.364 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329151286 499056587 /nfs/dbraw/zinc/05/65/87/499056587.db2.gz AAQQYWRPIGAZAH-MISYRCLQSA-N 1 2 358.482 3.364 20 30 FGEDLO Cc1nc(-c2ccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)cc2Cl)n[nH]1 ZINC000329212178 499074274 /nfs/dbraw/zinc/07/42/74/499074274.db2.gz HPZQWGGCFDAXHP-SNVBAGLBSA-N 1 2 365.890 3.459 20 30 FGEDLO O=C(Nc1ccccc1O[C@@H]1CCOC1)C1CC[NH+](CC(F)F)CC1 ZINC000329220093 499075300 /nfs/dbraw/zinc/07/53/00/499075300.db2.gz SWAKXXYPYAIVKR-CQSZACIVSA-N 1 2 354.397 3.419 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC[C@H](c3[nH]cc[nH+]3)C1)C2 ZINC000329240645 499081463 /nfs/dbraw/zinc/08/14/63/499081463.db2.gz RCHVFQFIQFECCI-GJZGRUSLSA-N 1 2 370.501 3.012 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000329241349 499082160 /nfs/dbraw/zinc/08/21/60/499082160.db2.gz RPGUEHNSBJAKCR-IBGZPJMESA-N 1 2 369.509 3.353 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000329241349 499082164 /nfs/dbraw/zinc/08/21/64/499082164.db2.gz RPGUEHNSBJAKCR-IBGZPJMESA-N 1 2 369.509 3.353 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)COc1cccc(F)c1)C2 ZINC000329245280 499083253 /nfs/dbraw/zinc/08/32/53/499083253.db2.gz ADRXYUXFKXLBBB-AWEZNQCLSA-N 1 2 374.460 3.422 20 30 FGEDLO O=C(Nc1cccc2c1OCO2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000329345002 499104197 /nfs/dbraw/zinc/10/41/97/499104197.db2.gz ULXOAWSUVPODLX-UHFFFAOYSA-N 1 2 373.840 3.432 20 30 FGEDLO NC(=[NH+]OCc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCCO1 ZINC000284442251 499108994 /nfs/dbraw/zinc/10/89/94/499108994.db2.gz PLWMNSVRJFXKCN-CYBMUJFWSA-N 1 2 355.316 3.328 20 30 FGEDLO CCOCC[NH+]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329361576 499109036 /nfs/dbraw/zinc/10/90/36/499109036.db2.gz CMTRJZMWYOFQAO-UHFFFAOYSA-N 1 2 366.531 3.390 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329423867 499118767 /nfs/dbraw/zinc/11/87/67/499118767.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329423867 499118768 /nfs/dbraw/zinc/11/87/68/499118768.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329423867 499118771 /nfs/dbraw/zinc/11/87/71/499118771.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329423867 499118774 /nfs/dbraw/zinc/11/87/74/499118774.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000329423867 499118776 /nfs/dbraw/zinc/11/87/76/499118776.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000329423867 499118779 /nfs/dbraw/zinc/11/87/79/499118779.db2.gz GGWCIKHFSGJHMO-HIFRSBDPSA-N 1 2 357.458 3.286 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000329436233 499121117 /nfs/dbraw/zinc/12/11/17/499121117.db2.gz JUAROONWGHOLRL-RISCZKNCSA-N 1 2 355.364 3.056 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)c1 ZINC000369950823 499156267 /nfs/dbraw/zinc/15/62/67/499156267.db2.gz FUAWMDCEGXOZOB-UHFFFAOYSA-N 1 2 357.498 3.140 20 30 FGEDLO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000370331188 499210163 /nfs/dbraw/zinc/21/01/63/499210163.db2.gz ARNMYHUTNOZJQD-SANMLTNESA-N 1 2 367.478 3.185 20 30 FGEDLO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nnc1C1CCC1 ZINC000367592322 499215608 /nfs/dbraw/zinc/21/56/08/499215608.db2.gz CAUYNXQQLACNAI-UHFFFAOYSA-N 1 2 369.444 3.137 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371543826 499339587 /nfs/dbraw/zinc/33/95/87/499339587.db2.gz PBEOBDKNPFTVNT-HKZYLEAXSA-N 1 2 358.401 3.234 20 30 FGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000371543826 499339588 /nfs/dbraw/zinc/33/95/88/499339588.db2.gz PBEOBDKNPFTVNT-HKZYLEAXSA-N 1 2 358.401 3.234 20 30 FGEDLO Cc1cc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)cs1 ZINC000369002959 499355683 /nfs/dbraw/zinc/35/56/83/499355683.db2.gz SBZPLTSWNQHCAM-INIZCTEOSA-N 1 2 360.504 3.191 20 30 FGEDLO Cc1cc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)cs1 ZINC000369002959 499355685 /nfs/dbraw/zinc/35/56/85/499355685.db2.gz SBZPLTSWNQHCAM-INIZCTEOSA-N 1 2 360.504 3.191 20 30 FGEDLO N#C[C@]1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCc2ccccc2C1 ZINC000371920758 499379576 /nfs/dbraw/zinc/37/95/76/499379576.db2.gz FMYLYIUNAPGYJJ-NRFANRHFSA-N 1 2 368.400 3.268 20 30 FGEDLO N#CCc1ccc(C(=O)NC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000372941135 499443869 /nfs/dbraw/zinc/44/38/69/499443869.db2.gz VTXPGSIEFIEYQT-UHFFFAOYSA-N 1 2 373.460 3.023 20 30 FGEDLO N#Cc1cccc([C@H]2CN(Cc3cn4cc(Cl)ccc4[nH+]3)CCO2)c1 ZINC000378313248 499500627 /nfs/dbraw/zinc/50/06/27/499500627.db2.gz LYSJFRHNANRNAK-GOSISDBHSA-N 1 2 352.825 3.433 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000378454992 499518987 /nfs/dbraw/zinc/51/89/87/499518987.db2.gz ADSOBDLZOWOOCY-KRWDZBQOSA-N 1 2 371.872 3.157 20 30 FGEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935933 499569610 /nfs/dbraw/zinc/56/96/10/499569610.db2.gz YATDNOQXTMBTBT-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000375935933 499569611 /nfs/dbraw/zinc/56/96/11/499569611.db2.gz YATDNOQXTMBTBT-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cc(F)cc(C#N)c1 ZINC000376145410 499586440 /nfs/dbraw/zinc/58/64/40/499586440.db2.gz TWFSLAIGBHJTGE-GOSISDBHSA-N 1 2 353.397 3.050 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(-c3cccnc3)c2)n1 ZINC000376635051 499625069 /nfs/dbraw/zinc/62/50/69/499625069.db2.gz RFPFFINWEXKXQP-UHFFFAOYSA-N 1 2 360.461 3.227 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(-c3cccnc3)c2)n1 ZINC000376635051 499625071 /nfs/dbraw/zinc/62/50/71/499625071.db2.gz RFPFFINWEXKXQP-UHFFFAOYSA-N 1 2 360.461 3.227 20 30 FGEDLO CC(C)(C)n1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nn1 ZINC000377689771 499720209 /nfs/dbraw/zinc/72/02/09/499720209.db2.gz FCCXOMOCQXYARI-UHFFFAOYSA-N 1 2 357.433 3.087 20 30 FGEDLO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414161220 499764838 /nfs/dbraw/zinc/76/48/38/499764838.db2.gz KBAVPDRFGYDOLB-GFCCVEGCSA-N 1 2 359.253 3.171 20 30 FGEDLO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414161220 499764840 /nfs/dbraw/zinc/76/48/40/499764840.db2.gz KBAVPDRFGYDOLB-GFCCVEGCSA-N 1 2 359.253 3.171 20 30 FGEDLO N#CC1(CCS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)CCCCC1 ZINC000414417126 499789107 /nfs/dbraw/zinc/78/91/07/499789107.db2.gz PDFFZHKUXHQSBG-UHFFFAOYSA-N 1 2 363.405 3.224 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411954605 499806093 /nfs/dbraw/zinc/80/60/93/499806093.db2.gz UYDABPQFXPYRFE-FUHWJXTLSA-N 1 2 367.474 3.049 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411954605 499806094 /nfs/dbraw/zinc/80/60/94/499806094.db2.gz UYDABPQFXPYRFE-FUHWJXTLSA-N 1 2 367.474 3.049 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413148065 499919624 /nfs/dbraw/zinc/91/96/24/499919624.db2.gz XBEPWUQXUVJOPP-ZDUSSCGKSA-N 1 2 361.371 3.250 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)[nH+]cn2)C1 ZINC000413206127 499926904 /nfs/dbraw/zinc/92/69/04/499926904.db2.gz PJMHQVAXQNAHCG-JQHSSLGASA-N 1 2 351.454 3.141 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)nc[nH+]2)C1 ZINC000413206127 499926906 /nfs/dbraw/zinc/92/69/06/499926906.db2.gz PJMHQVAXQNAHCG-JQHSSLGASA-N 1 2 351.454 3.141 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929124 499960593 /nfs/dbraw/zinc/96/05/93/499960593.db2.gz LSXJPWUXGQDHAY-NVXWUHKLSA-N 1 2 373.415 3.197 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428929124 499960598 /nfs/dbraw/zinc/96/05/98/499960598.db2.gz LSXJPWUXGQDHAY-NVXWUHKLSA-N 1 2 373.415 3.197 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232541 500028641 /nfs/dbraw/zinc/02/86/41/500028641.db2.gz BSAXTSWZAKASMP-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232541 500028645 /nfs/dbraw/zinc/02/86/45/500028645.db2.gz BSAXTSWZAKASMP-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC000421402999 500039130 /nfs/dbraw/zinc/03/91/30/500039130.db2.gz WNZHGWNQKGZZHL-QGZVFWFLSA-N 1 2 368.271 3.387 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@]23CCOC3)cc1OC ZINC000421402999 500039135 /nfs/dbraw/zinc/03/91/35/500039135.db2.gz WNZHGWNQKGZZHL-QGZVFWFLSA-N 1 2 368.271 3.387 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(C#N)c[nH+]1 ZINC000425208854 500043904 /nfs/dbraw/zinc/04/39/04/500043904.db2.gz QIJLJCZYTLJMQS-UHFFFAOYSA-N 1 2 374.366 3.243 20 30 FGEDLO CC[C@H](C(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1)c1ccccc1 ZINC000425229455 500050902 /nfs/dbraw/zinc/05/09/02/500050902.db2.gz UDPSWQGKJKRNGK-FQEVSTJZSA-N 1 2 362.477 3.280 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414043187 500136099 /nfs/dbraw/zinc/13/60/99/500136099.db2.gz PMPXOAMOILBOPZ-UHFFFAOYSA-N 1 2 371.506 3.264 20 30 FGEDLO COCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1OC ZINC000430121106 500195851 /nfs/dbraw/zinc/19/58/51/500195851.db2.gz MLXGKLHAUJXINS-UXHICEINSA-N 1 2 366.461 3.460 20 30 FGEDLO COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1OC ZINC000430121106 500195854 /nfs/dbraw/zinc/19/58/54/500195854.db2.gz MLXGKLHAUJXINS-UXHICEINSA-N 1 2 366.461 3.460 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2(CC#N)CC2)c(C)c1 ZINC000430910591 500305186 /nfs/dbraw/zinc/30/51/86/500305186.db2.gz VXFHTDDKOGTODW-SFHVURJKSA-N 1 2 351.454 3.234 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccccc2Cl)on1 ZINC000419216448 500344275 /nfs/dbraw/zinc/34/42/75/500344275.db2.gz NSBXNKWZZFRECJ-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)nn1 ZINC000424176455 500463672 /nfs/dbraw/zinc/46/36/72/500463672.db2.gz XUSGWVRFDBVMHI-UHFFFAOYSA-N 1 2 350.470 3.237 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)nn1 ZINC000424176823 500464133 /nfs/dbraw/zinc/46/41/33/500464133.db2.gz YOUDTTSDPRUUAL-UHFFFAOYSA-N 1 2 370.888 3.269 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000428164577 500476217 /nfs/dbraw/zinc/47/62/17/500476217.db2.gz JJGPCNBIJHFMSD-UHFFFAOYSA-N 1 2 350.447 3.472 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)nn1 ZINC000424292386 500482114 /nfs/dbraw/zinc/48/21/14/500482114.db2.gz GTPYVEMXVCDYQX-LLVKDONJSA-N 1 2 351.248 3.086 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)nn1 ZINC000424295969 500483246 /nfs/dbraw/zinc/48/32/46/500483246.db2.gz NWPZDKMULJHTME-HNNXBMFYSA-N 1 2 374.510 3.031 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000432560119 500532584 /nfs/dbraw/zinc/53/25/84/500532584.db2.gz TWSCAFQEDCFBHJ-IBGZPJMESA-N 1 2 359.514 3.270 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)oc1C ZINC000432934151 500592986 /nfs/dbraw/zinc/59/29/86/500592986.db2.gz YTALQVDJPFTBTF-ZDUSSCGKSA-N 1 2 371.412 3.269 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3OC)CC2)ccc1C#N ZINC000442883684 500639634 /nfs/dbraw/zinc/63/96/34/500639634.db2.gz VTKCQHXNYHXYOV-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437404242 500641089 /nfs/dbraw/zinc/64/10/89/500641089.db2.gz MXZAJRWFXWPHRX-KRWDZBQOSA-N 1 2 371.387 3.223 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437404242 500641091 /nfs/dbraw/zinc/64/10/91/500641091.db2.gz MXZAJRWFXWPHRX-KRWDZBQOSA-N 1 2 371.387 3.223 20 30 FGEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000437417108 500642513 /nfs/dbraw/zinc/64/25/13/500642513.db2.gz JAVHAZBIBCEHDF-UHFFFAOYSA-N 1 2 373.403 3.490 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000433204188 500646856 /nfs/dbraw/zinc/64/68/56/500646856.db2.gz FIKKFHZNWIKATL-FQEVSTJZSA-N 1 2 350.418 3.358 20 30 FGEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCO1 ZINC000447835165 500674289 /nfs/dbraw/zinc/67/42/89/500674289.db2.gz MUQIZRHCEQOKLC-FQEVSTJZSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCO1 ZINC000447835165 500674292 /nfs/dbraw/zinc/67/42/92/500674292.db2.gz MUQIZRHCEQOKLC-FQEVSTJZSA-N 1 2 353.466 3.485 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000438002648 500727321 /nfs/dbraw/zinc/72/73/21/500727321.db2.gz UNRHLRSFBMSMCW-PEIUBTGKSA-N 1 2 369.509 3.008 20 30 FGEDLO C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1c(F)cccc1F ZINC000443507853 500731498 /nfs/dbraw/zinc/73/14/98/500731498.db2.gz HKHJHNOZZZYWNS-CQSZACIVSA-N 1 2 370.325 3.387 20 30 FGEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1C(F)(F)F ZINC000443508988 500732177 /nfs/dbraw/zinc/73/21/77/500732177.db2.gz MAOCOUMBOFLWDE-UHFFFAOYSA-N 1 2 361.371 3.391 20 30 FGEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cc1 ZINC000433767587 500741017 /nfs/dbraw/zinc/74/10/17/500741017.db2.gz UQEPLEHHZLPFTH-UHFFFAOYSA-N 1 2 363.490 3.195 20 30 FGEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)cc1 ZINC000433767587 500741019 /nfs/dbraw/zinc/74/10/19/500741019.db2.gz UQEPLEHHZLPFTH-UHFFFAOYSA-N 1 2 363.490 3.195 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448958209 500881008 /nfs/dbraw/zinc/88/10/08/500881008.db2.gz WFNKAVCOPBDPJP-HNNXBMFYSA-N 1 2 374.847 3.084 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448958209 500881010 /nfs/dbraw/zinc/88/10/10/500881010.db2.gz WFNKAVCOPBDPJP-HNNXBMFYSA-N 1 2 374.847 3.084 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000444717904 500886799 /nfs/dbraw/zinc/88/67/99/500886799.db2.gz JIYXVLUNZNYABW-PBHICJAKSA-N 1 2 358.404 3.109 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000444717904 500886801 /nfs/dbraw/zinc/88/68/01/500886801.db2.gz JIYXVLUNZNYABW-PBHICJAKSA-N 1 2 358.404 3.109 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000439366930 500889945 /nfs/dbraw/zinc/88/99/45/500889945.db2.gz CMVJRFUVNIHDSC-UHFFFAOYSA-N 1 2 364.405 3.175 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000439435285 500896207 /nfs/dbraw/zinc/89/62/07/500896207.db2.gz GJMOZLQWAIAPAR-UHFFFAOYSA-N 1 2 355.829 3.269 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C(C)C)nc2)c(C#N)c1C ZINC000440453538 501009615 /nfs/dbraw/zinc/00/96/15/501009615.db2.gz DUWJGAHKBPQMRA-ZDUSSCGKSA-N 1 2 355.442 3.141 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)c(C#N)c1C ZINC000440453538 501009617 /nfs/dbraw/zinc/00/96/17/501009617.db2.gz DUWJGAHKBPQMRA-ZDUSSCGKSA-N 1 2 355.442 3.141 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1OC ZINC000449469684 501011076 /nfs/dbraw/zinc/01/10/76/501011076.db2.gz VGUHQNUYMUIBLG-UHFFFAOYSA-N 1 2 353.344 3.359 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000449551860 501031322 /nfs/dbraw/zinc/03/13/22/501031322.db2.gz HOIGMDPYAYMZRO-SFHVURJKSA-N 1 2 369.914 3.306 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000449551860 501031323 /nfs/dbraw/zinc/03/13/23/501031323.db2.gz HOIGMDPYAYMZRO-SFHVURJKSA-N 1 2 369.914 3.306 20 30 FGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000435971543 501052699 /nfs/dbraw/zinc/05/26/99/501052699.db2.gz JARUOINVOZKJQX-XPTSAGLGSA-N 1 2 364.268 3.259 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1C#N ZINC000582455254 506232174 /nfs/dbraw/zinc/23/21/74/506232174.db2.gz LBOHMQZWVSRTTH-UHFFFAOYSA-N 1 2 364.421 3.247 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3ncsc3C2)c1C ZINC000446078847 501070520 /nfs/dbraw/zinc/07/05/20/501070520.db2.gz HKDSOEANPOLIIY-UHFFFAOYSA-N 1 2 354.479 3.065 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3ncsc3C2)c1C ZINC000446078847 501070524 /nfs/dbraw/zinc/07/05/24/501070524.db2.gz HKDSOEANPOLIIY-UHFFFAOYSA-N 1 2 354.479 3.065 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CNc2cccc(C#N)c2)c(C)c1 ZINC000442181200 501205180 /nfs/dbraw/zinc/20/51/80/501205180.db2.gz KYCLENDUTWENDG-NRFANRHFSA-N 1 2 373.460 3.341 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000602644889 506242424 /nfs/dbraw/zinc/24/24/24/506242424.db2.gz MPRLWMKCYIAOAA-HZPDHXFCSA-N 1 2 354.454 3.410 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451019919 501239585 /nfs/dbraw/zinc/23/95/85/501239585.db2.gz UMFDOBYIHWSVKN-MRXNPFEDSA-N 1 2 359.861 3.115 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451019919 501239586 /nfs/dbraw/zinc/23/95/86/501239586.db2.gz UMFDOBYIHWSVKN-MRXNPFEDSA-N 1 2 359.861 3.115 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455270926 501259743 /nfs/dbraw/zinc/25/97/43/501259743.db2.gz HVGYYIQPJVQGTA-HKUYNNGSSA-N 1 2 369.513 3.412 20 30 FGEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651063 506245178 /nfs/dbraw/zinc/24/51/78/506245178.db2.gz VDWZODLMRMVBIG-MOPGFXCFSA-N 1 2 369.900 3.407 20 30 FGEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651063 506245182 /nfs/dbraw/zinc/24/51/82/506245182.db2.gz VDWZODLMRMVBIG-MOPGFXCFSA-N 1 2 369.900 3.407 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455548459 501331075 /nfs/dbraw/zinc/33/10/75/501331075.db2.gz TXHWTYHZDLYJSA-AWEZNQCLSA-N 1 2 372.469 3.347 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793100 501373008 /nfs/dbraw/zinc/37/30/08/501373008.db2.gz BCFXXYBWRYPZFB-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793100 501373010 /nfs/dbraw/zinc/37/30/10/501373010.db2.gz BCFXXYBWRYPZFB-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1F ZINC000611674195 506250813 /nfs/dbraw/zinc/25/08/13/506250813.db2.gz SEPPPVJLTOUSIC-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1F ZINC000611674195 506250816 /nfs/dbraw/zinc/25/08/16/506250816.db2.gz SEPPPVJLTOUSIC-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458507224 501461876 /nfs/dbraw/zinc/46/18/76/501461876.db2.gz LWGLQDPLQHIZIN-LSDHHAIUSA-N 1 2 351.516 3.021 20 30 FGEDLO C=CC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458507224 501461878 /nfs/dbraw/zinc/46/18/78/501461878.db2.gz LWGLQDPLQHIZIN-LSDHHAIUSA-N 1 2 351.516 3.021 20 30 FGEDLO Cc1nc(N2CCN(c3ccccc3C#N)CC2)c(Br)c(C)[nH+]1 ZINC000596101663 506258828 /nfs/dbraw/zinc/25/88/28/506258828.db2.gz KHIUBWUWHLCJLM-UHFFFAOYSA-N 1 2 372.270 3.054 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459230680 501616614 /nfs/dbraw/zinc/61/66/14/501616614.db2.gz FVSHVJQJJAHASH-UHFFFAOYSA-N 1 2 362.905 3.416 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000459281005 501624282 /nfs/dbraw/zinc/62/42/82/501624282.db2.gz BMVOXZWDUPUWJD-UHFFFAOYSA-N 1 2 364.405 3.317 20 30 FGEDLO COCCCOc1cccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000459620338 501688126 /nfs/dbraw/zinc/68/81/26/501688126.db2.gz VSSZHUFYBZCHRX-UHFFFAOYSA-N 1 2 352.434 3.237 20 30 FGEDLO N#Cc1ccc(OC2C[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000460581406 501867767 /nfs/dbraw/zinc/86/77/67/501867767.db2.gz LFLXFDOLSWMYLW-UHFFFAOYSA-N 1 2 355.825 3.303 20 30 FGEDLO COc1cc[nH+]c(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471003778 501887581 /nfs/dbraw/zinc/88/75/81/501887581.db2.gz FVEXNMQPZFEKMM-IBGZPJMESA-N 1 2 356.857 3.126 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000588371720 506280538 /nfs/dbraw/zinc/28/05/38/506280538.db2.gz DJOVCVWBHOPNDA-KRWDZBQOSA-N 1 2 353.470 3.333 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)cc1Cl ZINC000471149720 501935348 /nfs/dbraw/zinc/93/53/48/501935348.db2.gz XXSFHHUPAJKRSG-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471167479 501944734 /nfs/dbraw/zinc/94/47/34/501944734.db2.gz CCWJVBSXOHSPID-IBGZPJMESA-N 1 2 357.417 3.129 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471167479 501944738 /nfs/dbraw/zinc/94/47/38/501944738.db2.gz CCWJVBSXOHSPID-IBGZPJMESA-N 1 2 357.417 3.129 20 30 FGEDLO N#Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccn1 ZINC000474792266 501953696 /nfs/dbraw/zinc/95/36/96/501953696.db2.gz LSWAMGGZZPRXET-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3c(F)cccc3F)CC2)cc1 ZINC000485908095 501984242 /nfs/dbraw/zinc/98/42/42/501984242.db2.gz NXKHOXNLEZUXDJ-IBGZPJMESA-N 1 2 355.388 3.242 20 30 FGEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000602762501 506288953 /nfs/dbraw/zinc/28/89/53/506288953.db2.gz KDZSPYQNPXRFQB-UHFFFAOYSA-N 1 2 351.372 3.157 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@H](C(=O)OCC)C2CCOCC2)cc1Cl ZINC000475133763 502074266 /nfs/dbraw/zinc/07/42/66/502074266.db2.gz DMPWVFFVLQXWGF-SFHVURJKSA-N 1 2 367.873 3.353 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464740006 502079629 /nfs/dbraw/zinc/07/96/29/502079629.db2.gz RBJNKMUNCTVPAO-KRWDZBQOSA-N 1 2 373.460 3.262 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813784 502102639 /nfs/dbraw/zinc/10/26/39/502102639.db2.gz OGBYFNGANSCLRV-RTBURBONSA-N 1 2 365.502 3.405 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813784 502102642 /nfs/dbraw/zinc/10/26/42/502102642.db2.gz OGBYFNGANSCLRV-RTBURBONSA-N 1 2 365.502 3.405 20 30 FGEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1C#N ZINC000461730639 502182107 /nfs/dbraw/zinc/18/21/07/502182107.db2.gz NTTMMLBYWCVPMH-UHFFFAOYSA-N 1 2 351.841 3.109 20 30 FGEDLO Cc1[nH+]c(N2CCC(C)(C#N)CC2)nc(N2CCC(C)(C#N)CC2)c1F ZINC000596189050 506300273 /nfs/dbraw/zinc/30/02/73/506300273.db2.gz MWYRSAGWWZTZBL-UHFFFAOYSA-N 1 2 356.449 3.184 20 30 FGEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000483031198 502251053 /nfs/dbraw/zinc/25/10/53/502251053.db2.gz XULKQYZQOLQUTD-CYBMUJFWSA-N 1 2 354.479 3.271 20 30 FGEDLO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000483031198 502251055 /nfs/dbraw/zinc/25/10/55/502251055.db2.gz XULKQYZQOLQUTD-CYBMUJFWSA-N 1 2 354.479 3.271 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476069133 502376450 /nfs/dbraw/zinc/37/64/50/502376450.db2.gz GPVDVARUTZBDSE-UYAOXDASSA-N 1 2 362.477 3.374 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000466086975 502474800 /nfs/dbraw/zinc/47/48/00/502474800.db2.gz QEDCGFRMMJYHID-LEWJYISDSA-N 1 2 366.509 3.354 20 30 FGEDLO N#Cc1cc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)ccc1F ZINC000469707962 502510316 /nfs/dbraw/zinc/51/03/16/502510316.db2.gz PZJLALPOHWYPFS-UHFFFAOYSA-N 1 2 362.408 3.457 20 30 FGEDLO CCN(C)c1ccc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)c[nH+]1 ZINC000480311080 502534596 /nfs/dbraw/zinc/53/45/96/502534596.db2.gz YNEJNJWSIRBNNT-UHFFFAOYSA-N 1 2 366.856 3.282 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000488035842 502607927 /nfs/dbraw/zinc/60/79/27/502607927.db2.gz YFCLZHLPQWPHRZ-GOSISDBHSA-N 1 2 364.493 3.128 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602850291 506327463 /nfs/dbraw/zinc/32/74/63/506327463.db2.gz FDYXXCFOSYYAFJ-MRXNPFEDSA-N 1 2 351.328 3.211 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000602850291 506327469 /nfs/dbraw/zinc/32/74/69/506327469.db2.gz FDYXXCFOSYYAFJ-MRXNPFEDSA-N 1 2 351.328 3.211 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCCCC#N ZINC000588753252 506327829 /nfs/dbraw/zinc/32/78/29/506327829.db2.gz GOSZXGCIOCUQGB-IBGZPJMESA-N 1 2 357.498 3.210 20 30 FGEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000466822407 502695046 /nfs/dbraw/zinc/69/50/46/502695046.db2.gz MQQYFNXLBJQEFN-YHYXMXQVSA-N 1 2 374.488 3.141 20 30 FGEDLO C=C(C)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000488570376 502753404 /nfs/dbraw/zinc/75/34/04/502753404.db2.gz UYNFQCJGDMPYTF-QGZVFWFLSA-N 1 2 365.905 3.367 20 30 FGEDLO C=C(C)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000488570376 502753406 /nfs/dbraw/zinc/75/34/06/502753406.db2.gz UYNFQCJGDMPYTF-QGZVFWFLSA-N 1 2 365.905 3.367 20 30 FGEDLO Cc1cc(Cl)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000477459798 502779289 /nfs/dbraw/zinc/77/92/89/502779289.db2.gz KLVPLBMHSJCKIM-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000477477543 502783323 /nfs/dbraw/zinc/78/33/23/502783323.db2.gz QHXROQBURDGIBC-UHFFFAOYSA-N 1 2 368.502 3.280 20 30 FGEDLO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100275 502820908 /nfs/dbraw/zinc/82/09/08/502820908.db2.gz ZCPHIZANLPPDML-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100275 502820913 /nfs/dbraw/zinc/82/09/13/502820913.db2.gz ZCPHIZANLPPDML-YWZLYKJASA-N 1 2 351.837 3.494 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000509106621 502823382 /nfs/dbraw/zinc/82/33/82/502823382.db2.gz HFSZPLJPSHYTRJ-UHFFFAOYSA-N 1 2 353.491 3.318 20 30 FGEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000509249018 502859536 /nfs/dbraw/zinc/85/95/36/502859536.db2.gz SGUGXSTUVYWTHO-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889540 506340321 /nfs/dbraw/zinc/34/03/21/506340321.db2.gz WMIRVWRJZZANPB-UYAOXDASSA-N 1 2 372.428 3.205 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889540 506340324 /nfs/dbraw/zinc/34/03/24/506340324.db2.gz WMIRVWRJZZANPB-UYAOXDASSA-N 1 2 372.428 3.205 20 30 FGEDLO N#Cc1ccccc1NC1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000602897256 506340757 /nfs/dbraw/zinc/34/07/57/506340757.db2.gz VTQDDAYVSKQFAB-UHFFFAOYSA-N 1 2 363.387 3.394 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)c1 ZINC000505613235 502950446 /nfs/dbraw/zinc/95/04/46/502950446.db2.gz QZMHUWXJQJCGAE-CQSZACIVSA-N 1 2 356.857 3.498 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835813 502996500 /nfs/dbraw/zinc/99/65/00/502996500.db2.gz ZIBXYZGFGNDHMA-NVXWUHKLSA-N 1 2 367.449 3.496 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835813 502996505 /nfs/dbraw/zinc/99/65/05/502996505.db2.gz ZIBXYZGFGNDHMA-NVXWUHKLSA-N 1 2 367.449 3.496 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3ccc(Br)cn3)CC2)nc1 ZINC000602908461 506346376 /nfs/dbraw/zinc/34/63/76/506346376.db2.gz RHWSUMQLUPJZIL-UHFFFAOYSA-N 1 2 357.255 3.490 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000506099462 503047372 /nfs/dbraw/zinc/04/73/72/503047372.db2.gz MFJFLUPEVLARPM-UHFFFAOYSA-N 1 2 358.445 3.130 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1cccc(F)c1 ZINC000506116083 503051143 /nfs/dbraw/zinc/05/11/43/503051143.db2.gz PKKLLWVWBHJGBN-IBGZPJMESA-N 1 2 366.371 3.018 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000489945490 503071753 /nfs/dbraw/zinc/07/17/53/503071753.db2.gz ATOMDYWNBGPQNR-NRFANRHFSA-N 1 2 358.445 3.417 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1OC ZINC000510217107 503072870 /nfs/dbraw/zinc/07/28/70/503072870.db2.gz XUQIEHQFWUOMNQ-UHFFFAOYSA-N 1 2 372.490 3.280 20 30 FGEDLO COc1ccc(OC(F)F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000506354182 503099635 /nfs/dbraw/zinc/09/96/35/503099635.db2.gz BECRXYISGBAOAQ-UHFFFAOYSA-N 1 2 373.403 3.490 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510441608 503116829 /nfs/dbraw/zinc/11/68/29/503116829.db2.gz GVTPRQZKMGCQTG-UHFFFAOYSA-N 1 2 362.408 3.450 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510441608 503116834 /nfs/dbraw/zinc/11/68/34/503116834.db2.gz GVTPRQZKMGCQTG-UHFFFAOYSA-N 1 2 362.408 3.450 20 30 FGEDLO CCn1c(C[NH2+]C[C@@H](C#N)CCC#N)nc2cc(Br)ccc21 ZINC000514901061 503223226 /nfs/dbraw/zinc/22/32/26/503223226.db2.gz MPABMBNNGHGJKS-GFCCVEGCSA-N 1 2 360.259 3.352 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000510957996 503225369 /nfs/dbraw/zinc/22/53/69/503225369.db2.gz KTVYHPYOTCYSIQ-UHFFFAOYSA-N 1 2 366.421 3.259 20 30 FGEDLO CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(F)(C#N)CC1 ZINC000510972767 503228685 /nfs/dbraw/zinc/22/86/85/503228685.db2.gz ZKWBZABKJOJILR-UHFFFAOYSA-N 1 2 357.385 3.346 20 30 FGEDLO N#Cc1nc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)sc1Cl ZINC000599180788 506363056 /nfs/dbraw/zinc/36/30/56/506363056.db2.gz ZBEXDYYEWYWDGS-UHFFFAOYSA-N 1 2 357.870 3.472 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1Cl ZINC000503042175 503332512 /nfs/dbraw/zinc/33/25/12/503332512.db2.gz OAPSRSWJESAINT-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1Cl ZINC000503042175 503332514 /nfs/dbraw/zinc/33/25/14/503332514.db2.gz OAPSRSWJESAINT-HNNXBMFYSA-N 1 2 357.903 3.304 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000511635609 503359039 /nfs/dbraw/zinc/35/90/39/503359039.db2.gz HRGZVUDZYORGNJ-AWEZNQCLSA-N 1 2 351.360 3.470 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602977340 506371641 /nfs/dbraw/zinc/37/16/41/506371641.db2.gz ADUJMHMHIYTBNS-NHYWBVRUSA-N 1 2 357.351 3.085 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602977340 506371651 /nfs/dbraw/zinc/37/16/51/506371651.db2.gz ADUJMHMHIYTBNS-NHYWBVRUSA-N 1 2 357.351 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000512193440 503482525 /nfs/dbraw/zinc/48/25/25/503482525.db2.gz HYMCRHSQKGYPDA-HNNXBMFYSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000512193440 503482528 /nfs/dbraw/zinc/48/25/28/503482528.db2.gz HYMCRHSQKGYPDA-HNNXBMFYSA-N 1 2 358.438 3.186 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1[N+](=O)[O-] ZINC000512237195 503494365 /nfs/dbraw/zinc/49/43/65/503494365.db2.gz NUPKSRXNOQCSPY-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO CC(C)(CO)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000516352471 503499856 /nfs/dbraw/zinc/49/98/56/503499856.db2.gz XENCCORTXMXFDZ-LJQANCHMSA-N 1 2 362.433 3.458 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000494228214 503507614 /nfs/dbraw/zinc/50/76/14/503507614.db2.gz UKJGTUWQCWLZJN-PMACEKPBSA-N 1 2 357.498 3.118 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000512408498 503541232 /nfs/dbraw/zinc/54/12/32/503541232.db2.gz HWDYVRQZQAKSQO-HNNXBMFYSA-N 1 2 363.479 3.315 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000512408498 503541236 /nfs/dbraw/zinc/54/12/36/503541236.db2.gz HWDYVRQZQAKSQO-HNNXBMFYSA-N 1 2 363.479 3.315 20 30 FGEDLO C[C@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516684852 503568084 /nfs/dbraw/zinc/56/80/84/503568084.db2.gz NIEHEXMJLUZTEJ-FXAWDEMLSA-N 1 2 354.498 3.212 20 30 FGEDLO N#Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)s1 ZINC000494885697 503629905 /nfs/dbraw/zinc/62/99/05/503629905.db2.gz JBHNRNLUJSHFOY-UHFFFAOYSA-N 1 2 352.419 3.169 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)C1CC1 ZINC000540054540 503653473 /nfs/dbraw/zinc/65/34/73/503653473.db2.gz WNAVQDDDOQMJJW-UHFFFAOYSA-N 1 2 373.478 3.416 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)C1CC1 ZINC000540054540 503653476 /nfs/dbraw/zinc/65/34/76/503653476.db2.gz WNAVQDDDOQMJJW-UHFFFAOYSA-N 1 2 373.478 3.416 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025844 503703926 /nfs/dbraw/zinc/70/39/26/503703926.db2.gz LFUUQOCMZOOYBZ-QGZVFWFLSA-N 1 2 352.463 3.473 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533025844 503703931 /nfs/dbraw/zinc/70/39/31/503703931.db2.gz LFUUQOCMZOOYBZ-QGZVFWFLSA-N 1 2 352.463 3.473 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000533238530 503773096 /nfs/dbraw/zinc/77/30/96/503773096.db2.gz UMQFIQDYNCVEQF-FQEVSTJZSA-N 1 2 368.477 3.034 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000533238530 503773099 /nfs/dbraw/zinc/77/30/99/503773099.db2.gz UMQFIQDYNCVEQF-FQEVSTJZSA-N 1 2 368.477 3.034 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)c1 ZINC000540508005 503798204 /nfs/dbraw/zinc/79/82/04/503798204.db2.gz PWZWASJMELSQEC-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000543510870 503799149 /nfs/dbraw/zinc/79/91/49/503799149.db2.gz PKWYMJIFSFRGQH-VXGBXAGGSA-N 1 2 359.455 3.062 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000517661783 503799391 /nfs/dbraw/zinc/79/93/91/503799391.db2.gz KAOXJTNOQODXQQ-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000517661783 503799397 /nfs/dbraw/zinc/79/93/97/503799397.db2.gz KAOXJTNOQODXQQ-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000537119799 503809475 /nfs/dbraw/zinc/80/94/75/503809475.db2.gz HKKMFBMTNSELIF-UHFFFAOYSA-N 1 2 366.465 3.352 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000537170652 503826108 /nfs/dbraw/zinc/82/61/08/503826108.db2.gz KGYSINXWNLFXOL-MRXNPFEDSA-N 1 2 351.425 3.411 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540664194 503848991 /nfs/dbraw/zinc/84/89/91/503848991.db2.gz WLWXAWPHYBHTLU-UHFFFAOYSA-N 1 2 353.388 3.403 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533681907 503921332 /nfs/dbraw/zinc/92/13/32/503921332.db2.gz HZEKQLZLOCOCGI-UYAOXDASSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533681907 503921335 /nfs/dbraw/zinc/92/13/35/503921335.db2.gz HZEKQLZLOCOCGI-UYAOXDASSA-N 1 2 371.843 3.455 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000533699271 503925952 /nfs/dbraw/zinc/92/59/52/503925952.db2.gz KGGCWYGIEBUGAT-QGZVFWFLSA-N 1 2 373.416 3.109 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)n1 ZINC000546965356 503940221 /nfs/dbraw/zinc/94/02/21/503940221.db2.gz BSNPCJQPEWNHPC-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1OC ZINC000546971152 503942262 /nfs/dbraw/zinc/94/22/62/503942262.db2.gz FFEQEGAFZMSTBI-UHFFFAOYSA-N 1 2 358.482 3.093 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1OC ZINC000546971152 503942269 /nfs/dbraw/zinc/94/22/69/503942269.db2.gz FFEQEGAFZMSTBI-UHFFFAOYSA-N 1 2 358.482 3.093 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1C#N ZINC000533776393 503949321 /nfs/dbraw/zinc/94/93/21/503949321.db2.gz RMTRJLXVQSCQKB-MGPUTAFESA-N 1 2 350.418 3.307 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1C#N ZINC000533776393 503949324 /nfs/dbraw/zinc/94/93/24/503949324.db2.gz RMTRJLXVQSCQKB-MGPUTAFESA-N 1 2 350.418 3.307 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530427471 503961368 /nfs/dbraw/zinc/96/13/68/503961368.db2.gz NJIYZWIXBDAFPI-QGZVFWFLSA-N 1 2 366.856 3.366 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c(OC(F)F)c1 ZINC000541023544 503978376 /nfs/dbraw/zinc/97/83/76/503978376.db2.gz VYWKJMFIOCRESD-AWEZNQCLSA-N 1 2 354.303 3.261 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(C#N)c3)CC2)s1 ZINC000530669941 504047785 /nfs/dbraw/zinc/04/77/85/504047785.db2.gz LTJHNUWHMWMEAK-UHFFFAOYSA-N 1 2 353.491 3.069 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848300 504077569 /nfs/dbraw/zinc/07/75/69/504077569.db2.gz ADNKGFHPUAPYPZ-QWHCGFSZSA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848300 504077574 /nfs/dbraw/zinc/07/75/74/504077574.db2.gz ADNKGFHPUAPYPZ-QWHCGFSZSA-N 1 2 352.278 3.465 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541310261 504083669 /nfs/dbraw/zinc/08/36/69/504083669.db2.gz PWEGYUCLJDOTOZ-CVEARBPZSA-N 1 2 352.841 3.217 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541310261 504083675 /nfs/dbraw/zinc/08/36/75/504083675.db2.gz PWEGYUCLJDOTOZ-CVEARBPZSA-N 1 2 352.841 3.217 20 30 FGEDLO C=CCNC(=O)C[NH2+]Cc1c(Cl)cccc1OCc1cccc(OC)c1 ZINC000538517330 504271340 /nfs/dbraw/zinc/27/13/40/504271340.db2.gz VIAZIQPFOIUWMU-UHFFFAOYSA-N 1 2 374.868 3.319 20 30 FGEDLO C=C(C)COCCNC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000535170677 504361218 /nfs/dbraw/zinc/36/12/18/504361218.db2.gz BMNSRDNWVSLCQU-QGZVFWFLSA-N 1 2 356.470 3.111 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542114953 504368822 /nfs/dbraw/zinc/36/88/22/504368822.db2.gz CRZMPRGVVKTJNM-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3noc(Cc4ccccc4)n3)CCOCC2)cc1 ZINC000528781082 504376768 /nfs/dbraw/zinc/37/67/68/504376768.db2.gz DUXJQFBLFQPDKI-UHFFFAOYSA-N 1 2 374.444 3.328 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000545296824 504433440 /nfs/dbraw/zinc/43/34/40/504433440.db2.gz RPEQXKXCNDXQSL-INIZCTEOSA-N 1 2 374.391 3.269 20 30 FGEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCC#N)c2cc(F)ccc2F)c1 ZINC000542498379 504514177 /nfs/dbraw/zinc/51/41/77/504514177.db2.gz SGBVHVMWBIMVBU-GOSISDBHSA-N 1 2 364.417 3.351 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(F)cc1 ZINC000539377537 504547238 /nfs/dbraw/zinc/54/72/38/504547238.db2.gz SRSNLFZEMMUHNY-KRWDZBQOSA-N 1 2 352.369 3.225 20 30 FGEDLO N#Cc1cccc(Cc2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000545685772 504562302 /nfs/dbraw/zinc/56/23/02/504562302.db2.gz NDZPYYBRSVUCFM-IBGZPJMESA-N 1 2 360.417 3.106 20 30 FGEDLO N#Cc1cccc(Cc2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000545685772 504562305 /nfs/dbraw/zinc/56/23/05/504562305.db2.gz NDZPYYBRSVUCFM-IBGZPJMESA-N 1 2 360.417 3.106 20 30 FGEDLO N#Cc1cccc(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000545685773 504562371 /nfs/dbraw/zinc/56/23/71/504562371.db2.gz NDZPYYBRSVUCFM-LJQANCHMSA-N 1 2 360.417 3.106 20 30 FGEDLO N#Cc1cccc(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000545685773 504562375 /nfs/dbraw/zinc/56/23/75/504562375.db2.gz NDZPYYBRSVUCFM-LJQANCHMSA-N 1 2 360.417 3.106 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378135 504628595 /nfs/dbraw/zinc/62/85/95/504628595.db2.gz HLFQWEYJRRCOJL-CVEARBPZSA-N 1 2 371.481 3.329 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378135 504628600 /nfs/dbraw/zinc/62/86/00/504628600.db2.gz HLFQWEYJRRCOJL-CVEARBPZSA-N 1 2 371.481 3.329 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)n1 ZINC000521038944 504635340 /nfs/dbraw/zinc/63/53/40/504635340.db2.gz UWZXGWIRZKLZFR-OAHLLOKOSA-N 1 2 372.469 3.072 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)n1 ZINC000521038944 504635345 /nfs/dbraw/zinc/63/53/45/504635345.db2.gz UWZXGWIRZKLZFR-OAHLLOKOSA-N 1 2 372.469 3.072 20 30 FGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(-n2cncn2)c(F)c1 ZINC000545927719 504641713 /nfs/dbraw/zinc/64/17/13/504641713.db2.gz ZNNFSIJDLBNIPY-UHFFFAOYSA-N 1 2 352.373 3.096 20 30 FGEDLO N#Cc1ccc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532902952 504772230 /nfs/dbraw/zinc/77/22/30/504772230.db2.gz QYDTVQSHIAUFSZ-IBGZPJMESA-N 1 2 370.384 3.091 20 30 FGEDLO N#Cc1ccc(CSCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000556016543 504778836 /nfs/dbraw/zinc/77/88/36/504778836.db2.gz XUXJDHHUSDTLIA-IAGOWNOFSA-N 1 2 370.478 3.300 20 30 FGEDLO N#Cc1ccc(CSCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000556016543 504778840 /nfs/dbraw/zinc/77/88/40/504778840.db2.gz XUXJDHHUSDTLIA-IAGOWNOFSA-N 1 2 370.478 3.300 20 30 FGEDLO N#CCCOCCSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000549375919 504803990 /nfs/dbraw/zinc/80/39/90/504803990.db2.gz NTHNBTDXYKRLLB-UHFFFAOYSA-N 1 2 359.842 3.491 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000565168808 504814264 /nfs/dbraw/zinc/81/42/64/504814264.db2.gz FMXBHRMPPKNRNB-LLVKDONJSA-N 1 2 350.394 3.309 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000559306846 504826347 /nfs/dbraw/zinc/82/63/47/504826347.db2.gz LVNLGRVOOQSBSQ-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000559306846 504826350 /nfs/dbraw/zinc/82/63/50/504826350.db2.gz LVNLGRVOOQSBSQ-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1c(F)cccc1F ZINC000553429051 504912985 /nfs/dbraw/zinc/91/29/85/504912985.db2.gz MRFNVZQLQGDKSZ-HNNXBMFYSA-N 1 2 361.352 3.042 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000553434842 504914472 /nfs/dbraw/zinc/91/44/72/504914472.db2.gz SUXBMFCWYVPTSO-UHFFFAOYSA-N 1 2 351.406 3.176 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565695451 504960247 /nfs/dbraw/zinc/96/02/47/504960247.db2.gz HFFSUAPNNSARAW-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565695451 504960248 /nfs/dbraw/zinc/96/02/48/504960248.db2.gz HFFSUAPNNSARAW-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000553616172 504963861 /nfs/dbraw/zinc/96/38/61/504963861.db2.gz XYNCHTWEYQBPOI-GFCCVEGCSA-N 1 2 357.907 3.260 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000553616172 504963864 /nfs/dbraw/zinc/96/38/64/504963864.db2.gz XYNCHTWEYQBPOI-GFCCVEGCSA-N 1 2 357.907 3.260 20 30 FGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000550126079 504971535 /nfs/dbraw/zinc/97/15/35/504971535.db2.gz LGUTULDWCFRJKM-CQSZACIVSA-N 1 2 355.463 3.283 20 30 FGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000550126079 504971540 /nfs/dbraw/zinc/97/15/40/504971540.db2.gz LGUTULDWCFRJKM-CQSZACIVSA-N 1 2 355.463 3.283 20 30 FGEDLO COc1cccc2c1cc[nH+]c2N1CCN(c2snc(C)c2C#N)CC1 ZINC000560213906 505020332 /nfs/dbraw/zinc/02/03/32/505020332.db2.gz YRGYKTDPAJTTSZ-UHFFFAOYSA-N 1 2 365.462 3.207 20 30 FGEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000553890293 505033883 /nfs/dbraw/zinc/03/38/83/505033883.db2.gz IZJTWNYGVLVEHZ-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000566013021 505055210 /nfs/dbraw/zinc/05/52/10/505055210.db2.gz CCUDEOIUBQUJEV-ZBEGNZNMSA-N 1 2 370.266 3.042 20 30 FGEDLO C=CCOc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000557364878 505118032 /nfs/dbraw/zinc/11/80/32/505118032.db2.gz SURCLNMHTLGWSL-UHFFFAOYSA-N 1 2 361.445 3.355 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000554267096 505128986 /nfs/dbraw/zinc/12/89/86/505128986.db2.gz BQMWUTLSQFPJKL-LJQANCHMSA-N 1 2 371.444 3.370 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C#N)cc1OC ZINC000563496983 505156249 /nfs/dbraw/zinc/15/62/49/505156249.db2.gz BBDASONJFJECHG-UHFFFAOYSA-N 1 2 355.442 3.270 20 30 FGEDLO COc1cncc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000566997206 505333722 /nfs/dbraw/zinc/33/37/22/505333722.db2.gz VUXJWKVQLBZQSE-IBGZPJMESA-N 1 2 356.857 3.126 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3coc4ccccc34)CC2)cc1 ZINC000552004651 505367340 /nfs/dbraw/zinc/36/73/40/505367340.db2.gz VSGWOZLUODGXJS-UHFFFAOYSA-N 1 2 359.429 3.191 20 30 FGEDLO CSc1ccc(OCC[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000564398044 505407513 /nfs/dbraw/zinc/40/75/13/505407513.db2.gz YWOVEKPBMCASAC-UHFFFAOYSA-N 1 2 374.535 3.246 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000561866363 505454643 /nfs/dbraw/zinc/45/46/43/505454643.db2.gz SZLNOXNHXMGIJD-HXUWFJFHSA-N 1 2 350.466 3.090 20 30 FGEDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000562210581 505540522 /nfs/dbraw/zinc/54/05/22/505540522.db2.gz JZQHTQKUKWHUFH-SFHVURJKSA-N 1 2 364.401 3.128 20 30 FGEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000603062618 506404369 /nfs/dbraw/zinc/40/43/69/506404369.db2.gz FAQVMGZTSHKQSA-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362885 506427707 /nfs/dbraw/zinc/42/77/07/506427707.db2.gz RGVMQGRBOANPAY-NVXWUHKLSA-N 1 2 362.271 3.328 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362885 506427712 /nfs/dbraw/zinc/42/77/12/506427712.db2.gz RGVMQGRBOANPAY-NVXWUHKLSA-N 1 2 362.271 3.328 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCc1ccc(Br)cc1 ZINC000593155222 506428372 /nfs/dbraw/zinc/42/83/72/506428372.db2.gz BZGMTZUHOXFXCL-KRWDZBQOSA-N 1 2 366.303 3.122 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589166344 506467687 /nfs/dbraw/zinc/46/76/87/506467687.db2.gz HYPBXOIXVIHUGV-QGZVFWFLSA-N 1 2 366.808 3.170 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000596580103 506469974 /nfs/dbraw/zinc/46/99/74/506469974.db2.gz LBOQVSJLPYNBJT-HNNXBMFYSA-N 1 2 360.889 3.033 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000596580103 506469977 /nfs/dbraw/zinc/46/99/77/506469977.db2.gz LBOQVSJLPYNBJT-HNNXBMFYSA-N 1 2 360.889 3.033 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174571 506473378 /nfs/dbraw/zinc/47/33/78/506473378.db2.gz IJYUSIAXTIFKBU-QGZVFWFLSA-N 1 2 373.815 3.443 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1Cl ZINC000612174571 506473381 /nfs/dbraw/zinc/47/33/81/506473381.db2.gz IJYUSIAXTIFKBU-QGZVFWFLSA-N 1 2 373.815 3.443 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3cccc(C#N)c3)n2)O1 ZINC000596613621 506490364 /nfs/dbraw/zinc/49/03/64/506490364.db2.gz DPFFIYCYYJDORR-UZLBHIALSA-N 1 2 374.444 3.494 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3cccc(C#N)c3)n2)O1 ZINC000596613621 506490368 /nfs/dbraw/zinc/49/03/68/506490368.db2.gz DPFFIYCYYJDORR-UZLBHIALSA-N 1 2 374.444 3.494 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC000593271787 506503983 /nfs/dbraw/zinc/50/39/83/506503983.db2.gz RXJAUECDDNIYTN-UHFFFAOYSA-N 1 2 370.497 3.035 20 30 FGEDLO N#CC1(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCCCC1 ZINC000596673543 506524934 /nfs/dbraw/zinc/52/49/34/506524934.db2.gz BYOWYHMXBRDQQN-INIZCTEOSA-N 1 2 361.511 3.102 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636858 506543511 /nfs/dbraw/zinc/54/35/11/506543511.db2.gz QTBRJLVHQCRWIA-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636858 506543521 /nfs/dbraw/zinc/54/35/21/506543521.db2.gz QTBRJLVHQCRWIA-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO COc1cc(OC)c(C2CC[NH+](Cc3nc(C#N)cs3)CC2)c(OC)c1 ZINC000589494322 506568458 /nfs/dbraw/zinc/56/84/58/506568458.db2.gz OFBBVWMMAWNXJD-UHFFFAOYSA-N 1 2 373.478 3.420 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C2CCCC2)c1 ZINC000597022938 506736647 /nfs/dbraw/zinc/73/66/47/506736647.db2.gz RJLIORZTRRXTIK-UHFFFAOYSA-N 1 2 355.482 3.032 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000583434225 506777525 /nfs/dbraw/zinc/77/75/25/506777525.db2.gz VNOWEHUFTKFHFP-HZPDHXFCSA-N 1 2 373.522 3.256 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000583434225 506777528 /nfs/dbraw/zinc/77/75/28/506777528.db2.gz VNOWEHUFTKFHFP-HZPDHXFCSA-N 1 2 373.522 3.256 20 30 FGEDLO N#CC1(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000597121415 506787235 /nfs/dbraw/zinc/78/72/35/506787235.db2.gz OYHODNKOJHWOMT-UHFFFAOYSA-N 1 2 360.049 3.311 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CCCOc3ccc(F)cc3)CC2)cc1 ZINC000604474844 506842801 /nfs/dbraw/zinc/84/28/01/506842801.db2.gz BKKOZICMODPMEE-UHFFFAOYSA-N 1 2 353.441 3.284 20 30 FGEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000613016048 506865533 /nfs/dbraw/zinc/86/55/33/506865533.db2.gz BAGJKPJXVBAFDF-IBGZPJMESA-N 1 2 364.449 3.011 20 30 FGEDLO N#Cc1cnccc1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000609785451 507000872 /nfs/dbraw/zinc/00/08/72/507000872.db2.gz FYGBIKCYCROIRY-UHFFFAOYSA-N 1 2 350.765 3.468 20 30 FGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590959321 507060477 /nfs/dbraw/zinc/06/04/77/507060477.db2.gz XHYCZBAUFJJANY-XEZPLFJOSA-N 1 2 356.495 3.498 20 30 FGEDLO C[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc(C#N)c1 ZINC000594303727 507070901 /nfs/dbraw/zinc/07/09/01/507070901.db2.gz HKOCFLBNWPVZGE-RISCZKNCSA-N 1 2 350.344 3.205 20 30 FGEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000591019785 507080447 /nfs/dbraw/zinc/08/04/47/507080447.db2.gz COWWOJDVTHOHHP-FQEVSTJZSA-N 1 2 352.434 3.235 20 30 FGEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000591019785 507080456 /nfs/dbraw/zinc/08/04/56/507080456.db2.gz COWWOJDVTHOHHP-FQEVSTJZSA-N 1 2 352.434 3.235 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1C#N ZINC000591045362 507092767 /nfs/dbraw/zinc/09/27/67/507092767.db2.gz PTDQBBBEILLCJN-FPOVZHCZSA-N 1 2 358.445 3.360 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1C#N ZINC000591045362 507092773 /nfs/dbraw/zinc/09/27/73/507092773.db2.gz PTDQBBBEILLCJN-FPOVZHCZSA-N 1 2 358.445 3.360 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083436 507106589 /nfs/dbraw/zinc/10/65/89/507106589.db2.gz VXCYKALFEBPANA-INIZCTEOSA-N 1 2 356.495 3.437 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083436 507106593 /nfs/dbraw/zinc/10/65/93/507106593.db2.gz VXCYKALFEBPANA-INIZCTEOSA-N 1 2 356.495 3.437 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601035984 507236793 /nfs/dbraw/zinc/23/67/93/507236793.db2.gz MTYMZGGDCIBTSO-INIZCTEOSA-N 1 2 351.425 3.411 20 30 FGEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000601182337 507289987 /nfs/dbraw/zinc/28/99/87/507289987.db2.gz VCXOHALIIFOOCG-KRWDZBQOSA-N 1 2 373.254 3.069 20 30 FGEDLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601186472 507291069 /nfs/dbraw/zinc/29/10/69/507291069.db2.gz VILXUOQYZZRKQV-UHFFFAOYSA-N 1 2 359.433 3.280 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614056997 507349598 /nfs/dbraw/zinc/34/95/98/507349598.db2.gz XHVJOIZQMAPGMQ-LJQANCHMSA-N 1 2 366.465 3.296 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)[NH+]2CCOCC2)cc1 ZINC000584501935 507380279 /nfs/dbraw/zinc/38/02/79/507380279.db2.gz BBQWXMXTZXMNAK-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222652 507412509 /nfs/dbraw/zinc/41/25/09/507412509.db2.gz SJTWKTBITWOXAY-AWEZNQCLSA-N 1 2 373.522 3.328 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222652 507412518 /nfs/dbraw/zinc/41/25/18/507412518.db2.gz SJTWKTBITWOXAY-AWEZNQCLSA-N 1 2 373.522 3.328 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1OC ZINC000606470466 507419205 /nfs/dbraw/zinc/41/92/05/507419205.db2.gz VHQOQVOUVRNPCF-UHFFFAOYSA-N 1 2 352.232 3.035 20 30 FGEDLO N#Cc1cc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)ccn1 ZINC000610957189 507454207 /nfs/dbraw/zinc/45/42/07/507454207.db2.gz AYVNRZYDWBFFEM-UHFFFAOYSA-N 1 2 358.430 3.434 20 30 FGEDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610967204 507457351 /nfs/dbraw/zinc/45/73/51/507457351.db2.gz JIUOOWFQDHNRST-QGZVFWFLSA-N 1 2 366.465 3.437 20 30 FGEDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000610967204 507457361 /nfs/dbraw/zinc/45/73/61/507457361.db2.gz JIUOOWFQDHNRST-QGZVFWFLSA-N 1 2 366.465 3.437 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)NC3(c4cccc(C#N)c4)CC3)cn21 ZINC000592129639 507495751 /nfs/dbraw/zinc/49/57/51/507495751.db2.gz LWVFGDLPHLPPEN-UHFFFAOYSA-N 1 2 359.433 3.045 20 30 FGEDLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1OC ZINC000592145194 507507032 /nfs/dbraw/zinc/50/70/32/507507032.db2.gz MSPDWULHNMTDFZ-IBGZPJMESA-N 1 2 373.478 3.068 20 30 FGEDLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1OC ZINC000592145194 507507037 /nfs/dbraw/zinc/50/70/37/507507037.db2.gz MSPDWULHNMTDFZ-IBGZPJMESA-N 1 2 373.478 3.068 20 30 FGEDLO CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150650 507510125 /nfs/dbraw/zinc/51/01/25/507510125.db2.gz FVFPOVNTQNQMSC-MRXNPFEDSA-N 1 2 353.260 3.088 20 30 FGEDLO CCCOc1ccc(Br)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150650 507510130 /nfs/dbraw/zinc/51/01/30/507510130.db2.gz FVFPOVNTQNQMSC-MRXNPFEDSA-N 1 2 353.260 3.088 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150580 507510746 /nfs/dbraw/zinc/51/07/46/507510746.db2.gz GYKHKHPUJOEAQS-MGPLVRAMSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150580 507510748 /nfs/dbraw/zinc/51/07/48/507510748.db2.gz GYKHKHPUJOEAQS-MGPLVRAMSA-N 1 2 367.236 3.455 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000592151435 507510761 /nfs/dbraw/zinc/51/07/61/507510761.db2.gz OWKNDYYNZYRUQO-IBGZPJMESA-N 1 2 357.841 3.164 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000592151435 507510767 /nfs/dbraw/zinc/51/07/67/507510767.db2.gz OWKNDYYNZYRUQO-IBGZPJMESA-N 1 2 357.841 3.164 20 30 FGEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584842663 507535888 /nfs/dbraw/zinc/53/58/88/507535888.db2.gz CLTORTCFSGQJIB-UHFFFAOYSA-N 1 2 363.215 3.199 20 30 FGEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584842663 507535896 /nfs/dbraw/zinc/53/58/96/507535896.db2.gz CLTORTCFSGQJIB-UHFFFAOYSA-N 1 2 363.215 3.199 20 30 FGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(C#N)ccc2Br)n1 ZINC000595526135 507545434 /nfs/dbraw/zinc/54/54/34/507545434.db2.gz KBPRPWBZGQGYEJ-UHFFFAOYSA-N 1 2 361.243 3.150 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)sc2c1CCCCC2 ZINC000611179679 507548926 /nfs/dbraw/zinc/54/89/26/507548926.db2.gz HKGHUHMZNOLRMK-NSHDSACASA-N 1 2 353.438 3.414 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)sc2c1CCCCC2 ZINC000611179679 507548933 /nfs/dbraw/zinc/54/89/33/507548933.db2.gz HKGHUHMZNOLRMK-NSHDSACASA-N 1 2 353.438 3.414 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000614578718 507570732 /nfs/dbraw/zinc/57/07/32/507570732.db2.gz VVLHCZXMNPCYAU-LJQANCHMSA-N 1 2 350.466 3.443 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000614578718 507570740 /nfs/dbraw/zinc/57/07/40/507570740.db2.gz VVLHCZXMNPCYAU-LJQANCHMSA-N 1 2 350.466 3.443 20 30 FGEDLO CC(C)C[C@@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)n1cc[nH+]c1 ZINC000602123855 507600005 /nfs/dbraw/zinc/60/00/05/507600005.db2.gz UHNWZFIKXKCTFS-SFHVURJKSA-N 1 2 362.437 3.048 20 30 FGEDLO CCc1c[nH]c(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)[nH+]1 ZINC000602165427 507611710 /nfs/dbraw/zinc/61/17/10/507611710.db2.gz FFCXWNQTYWCJQO-GFCCVEGCSA-N 1 2 364.371 3.474 20 30 FGEDLO CC(C)(NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C#N)c1 ZINC000602177715 507617036 /nfs/dbraw/zinc/61/70/36/507617036.db2.gz IFAOPYYZHNBKFB-AWEZNQCLSA-N 1 2 350.344 3.300 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1[nH+]ccn1CC(F)(F)F ZINC000611370631 507646177 /nfs/dbraw/zinc/64/61/77/507646177.db2.gz NXZMILKTIUHYIK-UHFFFAOYSA-N 1 2 367.281 3.177 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000595723219 507648568 /nfs/dbraw/zinc/64/85/68/507648568.db2.gz SDJGAHFBDMFWNT-MRXNPFEDSA-N 1 2 362.474 3.257 20 30 FGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000611383502 507653086 /nfs/dbraw/zinc/65/30/86/507653086.db2.gz GLSLGFGKFGXIHZ-RYUDHWBXSA-N 1 2 364.243 3.314 20 30 FGEDLO N#CCCN(C(=O)C[NH+]1CCC(c2ccon2)CC1)c1cccc(Cl)c1 ZINC000595832918 507706551 /nfs/dbraw/zinc/70/65/51/507706551.db2.gz KDEYMVNJRJSNAO-UHFFFAOYSA-N 1 2 372.856 3.454 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611501025 507709665 /nfs/dbraw/zinc/70/96/65/507709665.db2.gz QBCKFJJAXACTCA-KRWDZBQOSA-N 1 2 350.304 3.423 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611501026 507710091 /nfs/dbraw/zinc/71/00/91/507710091.db2.gz QBCKFJJAXACTCA-QGZVFWFLSA-N 1 2 350.304 3.423 20 30 FGEDLO CC[C@@H]1C[N@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479324203 561187158 /nfs/dbraw/zinc/18/71/58/561187158.db2.gz REQWRIDPVQHUIJ-MRXNPFEDSA-N 1 2 367.497 3.007 20 30 FGEDLO CC[C@@H]1C[N@@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479324203 561187159 /nfs/dbraw/zinc/18/71/59/561187159.db2.gz REQWRIDPVQHUIJ-MRXNPFEDSA-N 1 2 367.497 3.007 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571168 700463127 /nfs/dbraw/zinc/46/31/27/700463127.db2.gz NEIAXMPTABZEIJ-SNVBAGLBSA-N 1 2 367.783 3.477 20 30 FGEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000106067255 700506422 /nfs/dbraw/zinc/50/64/22/700506422.db2.gz JRSBNDUIMUPWGL-GFCCVEGCSA-N 1 2 361.829 3.207 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000113249052 700569702 /nfs/dbraw/zinc/56/97/02/700569702.db2.gz GZYDYDMHEPGYED-LBPRGKRZSA-N 1 2 361.829 3.321 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1cc(F)ccc1F ZINC000113249247 700569896 /nfs/dbraw/zinc/56/98/96/700569896.db2.gz LLCIZZDAZLOMHG-JTQLQIEISA-N 1 2 367.783 3.477 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365981719 713861084 /nfs/dbraw/zinc/86/10/84/713861084.db2.gz VKSQHLQVKKOGFN-PBHICJAKSA-N 1 2 353.388 3.295 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000365981719 713861087 /nfs/dbraw/zinc/86/10/87/713861087.db2.gz VKSQHLQVKKOGFN-PBHICJAKSA-N 1 2 353.388 3.295 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374009331 713892699 /nfs/dbraw/zinc/89/26/99/713892699.db2.gz AXAMAULQSVFVIQ-UHFFFAOYSA-N 1 2 363.234 3.493 20 30 FGEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796152 713944407 /nfs/dbraw/zinc/94/44/07/713944407.db2.gz CIRGOOJGSNCKGJ-YOEHRIQHSA-N 1 2 355.463 3.410 20 30 FGEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796152 713944411 /nfs/dbraw/zinc/94/44/11/713944411.db2.gz CIRGOOJGSNCKGJ-YOEHRIQHSA-N 1 2 355.463 3.410 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000618808688 714780005 /nfs/dbraw/zinc/78/00/05/714780005.db2.gz MSLHXVOGNAPICV-UHFFFAOYSA-N 1 2 355.467 3.080 20 30 FGEDLO N#Cc1nc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1C(F)(F)F ZINC000619695474 714862975 /nfs/dbraw/zinc/86/29/75/714862975.db2.gz KMIWNZFNTAOOLV-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1nc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1C(F)(F)F ZINC000619695474 714862978 /nfs/dbraw/zinc/86/29/78/714862978.db2.gz KMIWNZFNTAOOLV-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1Cl ZINC000619755871 714867047 /nfs/dbraw/zinc/86/70/47/714867047.db2.gz XAVJRWXHOSJPNO-INIZCTEOSA-N 1 2 364.829 3.359 20 30 FGEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000779793036 724427274 /nfs/dbraw/zinc/42/72/74/724427274.db2.gz QRXHZRAMDVFKAW-SECBINFHSA-N 1 2 365.268 3.149 20 30 FGEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628183161 716121448 /nfs/dbraw/zinc/12/14/48/716121448.db2.gz SEIKOLNMEBSQAT-LBPRGKRZSA-N 1 2 361.257 3.266 20 30 FGEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628183161 716121452 /nfs/dbraw/zinc/12/14/52/716121452.db2.gz SEIKOLNMEBSQAT-LBPRGKRZSA-N 1 2 361.257 3.266 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000628183328 716121632 /nfs/dbraw/zinc/12/16/32/716121632.db2.gz XINDMYKNTWNYEX-HNNXBMFYSA-N 1 2 365.779 3.413 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000628183328 716121639 /nfs/dbraw/zinc/12/16/39/716121639.db2.gz XINDMYKNTWNYEX-HNNXBMFYSA-N 1 2 365.779 3.413 20 30 FGEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1c(F)c(F)cc(F)c1F ZINC000635659950 717184689 /nfs/dbraw/zinc/18/46/89/717184689.db2.gz KINRHHCNKWUPAR-SNVBAGLBSA-N 1 2 369.240 3.249 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661539849 720272886 /nfs/dbraw/zinc/27/28/86/720272886.db2.gz VVSMBMPMMDTPBX-UHFFFAOYSA-N 1 2 353.491 3.369 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661539849 720272892 /nfs/dbraw/zinc/27/28/92/720272892.db2.gz VVSMBMPMMDTPBX-UHFFFAOYSA-N 1 2 353.491 3.369 20 30 FGEDLO COc1cccc(N=NCc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000783867930 724798302 /nfs/dbraw/zinc/79/83/02/724798302.db2.gz WRUWFJMMDFSBCC-UHFFFAOYSA-N 1 2 360.215 3.255 20 30 FGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000727495196 722445028 /nfs/dbraw/zinc/44/50/28/722445028.db2.gz VSKIQOKXLBYRHO-QGZVFWFLSA-N 1 2 356.495 3.219 20 30 FGEDLO CC(=O)N(c1nc(C=NNc2cc[nH+]c3ccccc23)cs1)C1CC1 ZINC000734298688 722505898 /nfs/dbraw/zinc/50/58/98/722505898.db2.gz CKULYYXORDKPBR-UHFFFAOYSA-N 1 2 351.435 3.075 20 30 FGEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccncc1 ZINC000734685329 722509159 /nfs/dbraw/zinc/50/91/59/722509159.db2.gz ZMFYFDHPAZJUOU-SFHVURJKSA-N 1 2 356.495 3.288 20 30 FGEDLO C#CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000745489838 722587542 /nfs/dbraw/zinc/58/75/42/722587542.db2.gz XEIXXYCLTSKPCN-INIZCTEOSA-N 1 2 351.853 3.329 20 30 FGEDLO C#CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000745489840 722587581 /nfs/dbraw/zinc/58/75/81/722587581.db2.gz XEIXXYCLTSKPCN-MRXNPFEDSA-N 1 2 351.853 3.329 20 30 FGEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000747816370 722661677 /nfs/dbraw/zinc/66/16/77/722661677.db2.gz BPKLJFLFTAGDEK-UHFFFAOYSA-N 1 2 369.690 3.064 20 30 FGEDLO Cc1c(Cl)cnn1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000753792661 722913364 /nfs/dbraw/zinc/91/33/64/722913364.db2.gz LHYUVIHMLXQAKQ-UHFFFAOYSA-N 1 2 357.845 3.025 20 30 FGEDLO Cc1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753929494 722918696 /nfs/dbraw/zinc/91/86/96/722918696.db2.gz PWNLQDSZIAWSHX-IYBDPMFKSA-N 1 2 356.861 3.028 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000753954547 722920257 /nfs/dbraw/zinc/92/02/57/722920257.db2.gz FSASNCNHMDZIGW-SNVBAGLBSA-N 1 2 361.389 3.005 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000753954547 722920258 /nfs/dbraw/zinc/92/02/58/722920258.db2.gz FSASNCNHMDZIGW-SNVBAGLBSA-N 1 2 361.389 3.005 20 30 FGEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000757063198 722973895 /nfs/dbraw/zinc/97/38/95/722973895.db2.gz XQPRPPVKANQLGX-IBGZPJMESA-N 1 2 353.491 3.340 20 30 FGEDLO CC(C)N(C)c1ccc(C=[NH+]N(C)C(=S)NCc2ccccc2)cn1 ZINC000790148012 723109787 /nfs/dbraw/zinc/10/97/87/723109787.db2.gz FDSVZAHHNJXCKF-UHFFFAOYSA-N 1 2 355.511 3.267 20 30 FGEDLO C#CC[N@@H+](C)Cc1c2cc(Br)ccc2oc1C(=O)OCC ZINC000792301272 723327202 /nfs/dbraw/zinc/32/72/02/723327202.db2.gz HAWHODVGZBCHAH-UHFFFAOYSA-N 1 2 350.212 3.437 20 30 FGEDLO C#CC[N@H+](C)Cc1c2cc(Br)ccc2oc1C(=O)OCC ZINC000792301272 723327206 /nfs/dbraw/zinc/32/72/06/723327206.db2.gz HAWHODVGZBCHAH-UHFFFAOYSA-N 1 2 350.212 3.437 20 30 FGEDLO C#CC[N@@H+](CCCCc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000792791358 723368181 /nfs/dbraw/zinc/36/81/81/723368181.db2.gz BXMZHGMLJADGPR-QGZVFWFLSA-N 1 2 373.440 3.150 20 30 FGEDLO C#CC[N@H+](CCCCc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000792791358 723368185 /nfs/dbraw/zinc/36/81/85/723368185.db2.gz BXMZHGMLJADGPR-QGZVFWFLSA-N 1 2 373.440 3.150 20 30 FGEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000765253867 723498629 /nfs/dbraw/zinc/49/86/29/723498629.db2.gz XCNKLUFSAUOVKI-ZDUSSCGKSA-N 1 2 355.195 3.091 20 30 FGEDLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638950 723537257 /nfs/dbraw/zinc/53/72/57/723537257.db2.gz IMDMUPJFDSODRZ-CZUORRHYSA-N 1 2 357.483 3.066 20 30 FGEDLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638950 723537259 /nfs/dbraw/zinc/53/72/59/723537259.db2.gz IMDMUPJFDSODRZ-CZUORRHYSA-N 1 2 357.483 3.066 20 30 FGEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499454 723640408 /nfs/dbraw/zinc/64/04/08/723640408.db2.gz BLYNMKPTJQGNKC-LIRRHRJNSA-N 1 2 357.479 3.364 20 30 FGEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499454 723640412 /nfs/dbraw/zinc/64/04/12/723640412.db2.gz BLYNMKPTJQGNKC-LIRRHRJNSA-N 1 2 357.479 3.364 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCCOC2)O1 ZINC000796607835 723646270 /nfs/dbraw/zinc/64/62/70/723646270.db2.gz YNJMLBQYHXBTOC-KSSFIOAISA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCCOC2)O1 ZINC000796607835 723646271 /nfs/dbraw/zinc/64/62/71/723646271.db2.gz YNJMLBQYHXBTOC-KSSFIOAISA-N 1 2 350.846 3.012 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768798178 723667551 /nfs/dbraw/zinc/66/75/51/723667551.db2.gz SDQZNUGAGZABLK-UHFFFAOYSA-N 1 2 358.829 3.105 20 30 FGEDLO C[NH+]1CCN(c2ccc(Nc3ccc(C#N)cn3)cc2Br)CC1 ZINC000786827147 725002459 /nfs/dbraw/zinc/00/24/59/725002459.db2.gz KNGXYYXMJGZFRS-UHFFFAOYSA-N 1 2 372.270 3.211 20 30 FGEDLO Brc1ccc(C=[NH+]O[C@H]2CCCCO2)c(N2CCOCC2)c1 ZINC000788722314 725083554 /nfs/dbraw/zinc/08/35/54/725083554.db2.gz OSBRNPHXYZFDNZ-INIZCTEOSA-N 1 2 369.259 3.163 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000805777728 725094586 /nfs/dbraw/zinc/09/45/86/725094586.db2.gz LBDRGIIFYJYKJQ-INIZCTEOSA-N 1 2 360.820 3.466 20 30 FGEDLO N#CCOc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1 ZINC000809617420 725252427 /nfs/dbraw/zinc/25/24/27/725252427.db2.gz QGWZTXVKWLBJPG-UHFFFAOYSA-N 1 2 371.238 3.289 20 30 FGEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811463881 725367166 /nfs/dbraw/zinc/36/71/66/725367166.db2.gz JVKCFIODDILSMJ-CHWSQXEVSA-N 1 2 350.488 3.140 20 30 FGEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811463881 725367169 /nfs/dbraw/zinc/36/71/69/725367169.db2.gz JVKCFIODDILSMJ-CHWSQXEVSA-N 1 2 350.488 3.140 20 30 FGEDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nc(C#N)cs1 ZINC000811465492 725367492 /nfs/dbraw/zinc/36/74/92/725367492.db2.gz XROQYQCYEWNKCI-LQDVMPOASA-N 1 2 362.499 3.425 20 30 FGEDLO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nc(C#N)cs1 ZINC000811465492 725367493 /nfs/dbraw/zinc/36/74/93/725367493.db2.gz XROQYQCYEWNKCI-LQDVMPOASA-N 1 2 362.499 3.425 20 30 FGEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000811802367 725380748 /nfs/dbraw/zinc/38/07/48/725380748.db2.gz XHSBAPBIZSCKLX-KRWDZBQOSA-N 1 2 352.829 3.176 20 30 FGEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)n2)cc1 ZINC000811802367 725380749 /nfs/dbraw/zinc/38/07/49/725380749.db2.gz XHSBAPBIZSCKLX-KRWDZBQOSA-N 1 2 352.829 3.176 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213058 726851280 /nfs/dbraw/zinc/85/12/80/726851280.db2.gz HMNBUEPMFUINKJ-BLLLJJGKSA-N 1 2 357.351 3.489 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000813213058 726851284 /nfs/dbraw/zinc/85/12/84/726851284.db2.gz HMNBUEPMFUINKJ-BLLLJJGKSA-N 1 2 357.351 3.489 20 30 FGEDLO C[C@@H]1C[C@H](C)[N@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294578 727237467 /nfs/dbraw/zinc/23/74/67/727237467.db2.gz WRUTTZSIFRIDPM-RDBSUJKOSA-N 1 2 364.515 3.386 20 30 FGEDLO C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294578 727237470 /nfs/dbraw/zinc/23/74/70/727237470.db2.gz WRUTTZSIFRIDPM-RDBSUJKOSA-N 1 2 364.515 3.386 20 30 FGEDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1O ZINC000826894857 729418212 /nfs/dbraw/zinc/41/82/12/729418212.db2.gz XYOWZFUQGCCRHQ-UHFFFAOYSA-N 1 2 363.870 3.310 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829785227 729511435 /nfs/dbraw/zinc/51/14/35/729511435.db2.gz SHQYCCIWIISGOQ-HNNXBMFYSA-N 1 2 374.531 3.449 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000829785227 729511440 /nfs/dbraw/zinc/51/14/40/729511440.db2.gz SHQYCCIWIISGOQ-HNNXBMFYSA-N 1 2 374.531 3.449 20 30 FGEDLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843425007 730619418 /nfs/dbraw/zinc/61/94/18/730619418.db2.gz CZMIUZAZFLFVBZ-LJQANCHMSA-N 1 2 358.873 3.052 20 30 FGEDLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843425007 730619419 /nfs/dbraw/zinc/61/94/19/730619419.db2.gz CZMIUZAZFLFVBZ-LJQANCHMSA-N 1 2 358.873 3.052 20 30 FGEDLO C=CCCn1cc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nn1 ZINC000846803393 730982213 /nfs/dbraw/zinc/98/22/13/730982213.db2.gz OGMYDTXXKPZLRC-IBGZPJMESA-N 1 2 360.889 3.453 20 30 FGEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868790758 733643471 /nfs/dbraw/zinc/64/34/71/733643471.db2.gz BHYIOCPCRQJOKG-HNNXBMFYSA-N 1 2 367.877 3.351 20 30 FGEDLO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000876893074 736159089 /nfs/dbraw/zinc/15/90/89/736159089.db2.gz HWOJIMVSHIACLX-GJZGRUSLSA-N 1 2 365.909 3.028 20 30 FGEDLO CC(C)(C)c1csc(CC2(O)CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000879615841 737016526 /nfs/dbraw/zinc/01/65/26/737016526.db2.gz OSKQSGJXFICOMG-HNNXBMFYSA-N 1 2 360.527 3.254 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000886778858 739298038 /nfs/dbraw/zinc/29/80/38/739298038.db2.gz YKGWNPLVTUCANH-UHFFFAOYSA-N 1 2 355.232 3.260 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886810836 739304744 /nfs/dbraw/zinc/30/47/44/739304744.db2.gz FPZIHCDFWVXLCB-CYBMUJFWSA-N 1 2 363.177 3.067 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886810836 739304749 /nfs/dbraw/zinc/30/47/49/739304749.db2.gz FPZIHCDFWVXLCB-CYBMUJFWSA-N 1 2 363.177 3.067 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ncc(Br)cc1O ZINC000894415056 742280210 /nfs/dbraw/zinc/28/02/10/742280210.db2.gz VJCRRQUHLPGTKV-UHFFFAOYSA-N 1 2 367.243 3.213 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ncc(Br)cc1O ZINC000894415056 742280213 /nfs/dbraw/zinc/28/02/13/742280213.db2.gz VJCRRQUHLPGTKV-UHFFFAOYSA-N 1 2 367.243 3.213 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@H+]1C/C=C/Cl ZINC000948957166 762357649 /nfs/dbraw/zinc/35/76/49/762357649.db2.gz BDLKTTDLFBIJDA-XSSFRBJZSA-N 1 2 360.885 3.046 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C/C=C/Cl ZINC000948957166 762357663 /nfs/dbraw/zinc/35/76/63/762357663.db2.gz BDLKTTDLFBIJDA-XSSFRBJZSA-N 1 2 360.885 3.046 20 30 FGEDLO CC(=[NH+]NC(=S)NC[C@H]1CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000916311369 758068821 /nfs/dbraw/zinc/06/88/21/758068821.db2.gz DCAJRZBGEAKGRT-GOSISDBHSA-N 1 2 360.527 3.044 20 30 FGEDLO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccc(C#N)c1O ZINC000925217830 759463785 /nfs/dbraw/zinc/46/37/85/759463785.db2.gz RHJFWGQMTFSFCG-SFHVURJKSA-N 1 2 358.463 3.049 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(C#N)CCSCC3)n2)C1 ZINC000930472351 760620484 /nfs/dbraw/zinc/62/04/84/760620484.db2.gz CJLPQIJWWGQCJB-ZDUSSCGKSA-N 1 2 364.540 3.350 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(C#N)CCSCC3)n2)C1 ZINC000930472351 760620488 /nfs/dbraw/zinc/62/04/88/760620488.db2.gz CJLPQIJWWGQCJB-ZDUSSCGKSA-N 1 2 364.540 3.350 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C#N)C2)sc2c1CCCCC2 ZINC000932160005 761070482 /nfs/dbraw/zinc/07/04/82/761070482.db2.gz BITMTVKBGYCFJF-AWEZNQCLSA-N 1 2 356.495 3.453 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C#N)C2)sc2c1CCCCC2 ZINC000932160005 761070493 /nfs/dbraw/zinc/07/04/93/761070493.db2.gz BITMTVKBGYCFJF-AWEZNQCLSA-N 1 2 356.495 3.453 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000932656757 761210839 /nfs/dbraw/zinc/21/08/39/761210839.db2.gz ZJURADKJTUMYCJ-UHFFFAOYSA-N 1 2 358.335 3.405 20 30 FGEDLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1nc(C#N)cs1)C2 ZINC000933045782 761308389 /nfs/dbraw/zinc/30/83/89/761308389.db2.gz LSAGKIMNNRHENX-GOSISDBHSA-N 1 2 362.499 3.380 20 30 FGEDLO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000933045782 761308398 /nfs/dbraw/zinc/30/83/98/761308398.db2.gz LSAGKIMNNRHENX-GOSISDBHSA-N 1 2 362.499 3.380 20 30 FGEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000933182458 761334554 /nfs/dbraw/zinc/33/45/54/761334554.db2.gz WYMALDRIRSDEPT-QRQLOZEOSA-N 1 2 361.869 3.124 20 30 FGEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000933182458 761334563 /nfs/dbraw/zinc/33/45/63/761334563.db2.gz WYMALDRIRSDEPT-QRQLOZEOSA-N 1 2 361.869 3.124 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775914 761472081 /nfs/dbraw/zinc/47/20/81/761472081.db2.gz OPNPTNBKTLIZBZ-SUMWQHHRSA-N 1 2 355.463 3.080 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775914 761472083 /nfs/dbraw/zinc/47/20/83/761472083.db2.gz OPNPTNBKTLIZBZ-SUMWQHHRSA-N 1 2 355.463 3.080 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336767 761601342 /nfs/dbraw/zinc/60/13/42/761601342.db2.gz RZKMKQHWLLQIHO-CYBMUJFWSA-N 1 2 360.508 3.196 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336767 761601352 /nfs/dbraw/zinc/60/13/52/761601352.db2.gz RZKMKQHWLLQIHO-CYBMUJFWSA-N 1 2 360.508 3.196 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015829036 765811947 /nfs/dbraw/zinc/81/19/47/765811947.db2.gz OCPKRBUPENTYJH-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001015829036 765811956 /nfs/dbraw/zinc/81/19/56/765811956.db2.gz OCPKRBUPENTYJH-BQFCYCMXSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027969589 766107960 /nfs/dbraw/zinc/10/79/60/766107960.db2.gz QHJJRZDBYYDZHT-SOUVJXGZSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027969589 766107963 /nfs/dbraw/zinc/10/79/63/766107963.db2.gz QHJJRZDBYYDZHT-SOUVJXGZSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCCc2ccccc2Cl)C1 ZINC001030332531 766164412 /nfs/dbraw/zinc/16/44/12/766164412.db2.gz AVTNBFZIBDETDI-MJGOQNOKSA-N 1 2 362.901 3.054 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001033259713 766210559 /nfs/dbraw/zinc/21/05/59/766210559.db2.gz PPHLYHBJLVMKNU-SYNHAJSKSA-N 1 2 360.885 3.012 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001033259713 766210561 /nfs/dbraw/zinc/21/05/61/766210561.db2.gz PPHLYHBJLVMKNU-SYNHAJSKSA-N 1 2 360.885 3.012 20 30 FGEDLO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033490705 766220278 /nfs/dbraw/zinc/22/02/78/766220278.db2.gz VGABYRBJBPIHIH-GBESFXJTSA-N 1 2 356.897 3.270 20 30 FGEDLO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033490705 766220279 /nfs/dbraw/zinc/22/02/79/766220279.db2.gz VGABYRBJBPIHIH-GBESFXJTSA-N 1 2 356.897 3.270 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607887 766799178 /nfs/dbraw/zinc/79/91/78/766799178.db2.gz YXSMURUATAUYRF-WBTNSWJXSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607887 766799188 /nfs/dbraw/zinc/79/91/88/766799188.db2.gz YXSMURUATAUYRF-WBTNSWJXSA-N 1 2 353.304 3.151 20 30 FGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000097110694 132227794 /nfs/dbraw/zinc/22/77/94/132227794.db2.gz RWJQUMVNIJUVRS-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573617121 505579579 /nfs/dbraw/zinc/57/95/79/505579579.db2.gz VNRFTLVQRXQVFI-MRXNPFEDSA-N 1 2 353.388 3.410 20 30 FGEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573617121 505579582 /nfs/dbraw/zinc/57/95/82/505579582.db2.gz VNRFTLVQRXQVFI-MRXNPFEDSA-N 1 2 353.388 3.410 20 30 FGEDLO Cc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1C#N ZINC000028931634 493808174 /nfs/dbraw/zinc/80/81/74/493808174.db2.gz QJPXCSOGLFKZOB-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1C#N ZINC000028931634 493808179 /nfs/dbraw/zinc/80/81/79/493808179.db2.gz QJPXCSOGLFKZOB-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccn2)c1 ZINC000081012244 493812211 /nfs/dbraw/zinc/81/22/11/493812211.db2.gz JKOBTWVBEWMXFN-JOCHJYFZSA-N 1 2 362.477 3.201 20 30 FGEDLO Cc1cccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccn2)c1 ZINC000081012244 493812217 /nfs/dbraw/zinc/81/22/17/493812217.db2.gz JKOBTWVBEWMXFN-JOCHJYFZSA-N 1 2 362.477 3.201 20 30 FGEDLO C=CCc1ccc(OCC(=O)NCc2cn3c(cccc3C)[nH+]2)c(OC)c1 ZINC000068570033 493843161 /nfs/dbraw/zinc/84/31/61/493843161.db2.gz KVOIXYPYOOZIJS-UHFFFAOYSA-N 1 2 365.433 3.075 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058783243 493884173 /nfs/dbraw/zinc/88/41/73/493884173.db2.gz OQHJVIMDVDUEEV-IBGZPJMESA-N 1 2 351.475 3.481 20 30 FGEDLO N#CCC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)CC1CC1 ZINC000081514825 493908041 /nfs/dbraw/zinc/90/80/41/493908041.db2.gz WDVSEASBYLJSIL-UHFFFAOYSA-N 1 2 355.482 3.250 20 30 FGEDLO N#CCC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)CC1CC1 ZINC000081514825 493908043 /nfs/dbraw/zinc/90/80/43/493908043.db2.gz WDVSEASBYLJSIL-UHFFFAOYSA-N 1 2 355.482 3.250 20 30 FGEDLO COCC[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000069071885 493916310 /nfs/dbraw/zinc/91/63/10/493916310.db2.gz KQORWRLPTXKQKB-UHFFFAOYSA-N 1 2 365.462 3.120 20 30 FGEDLO COCC[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000069071885 493916312 /nfs/dbraw/zinc/91/63/12/493916312.db2.gz KQORWRLPTXKQKB-UHFFFAOYSA-N 1 2 365.462 3.120 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041607 493920114 /nfs/dbraw/zinc/92/01/14/493920114.db2.gz XKLNCAGZOVULHY-HNNXBMFYSA-N 1 2 363.527 3.092 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000031041607 493920117 /nfs/dbraw/zinc/92/01/17/493920117.db2.gz XKLNCAGZOVULHY-HNNXBMFYSA-N 1 2 363.527 3.092 20 30 FGEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000076716337 493956921 /nfs/dbraw/zinc/95/69/21/493956921.db2.gz XARQGUDJWDTHBY-INIZCTEOSA-N 1 2 370.522 3.430 20 30 FGEDLO Cc1nc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000031890870 493964031 /nfs/dbraw/zinc/96/40/31/493964031.db2.gz QHAUTPITEIAYTI-KRWDZBQOSA-N 1 2 365.824 3.168 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000571262428 505692901 /nfs/dbraw/zinc/69/29/01/505692901.db2.gz AGBOSNAGHIXICG-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000571262428 505692904 /nfs/dbraw/zinc/69/29/04/505692904.db2.gz AGBOSNAGHIXICG-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cn2ccccc12 ZINC000077409335 494077092 /nfs/dbraw/zinc/07/70/92/494077092.db2.gz DPUKQSXNGWXLCE-UHFFFAOYSA-N 1 2 364.474 3.221 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cn2ccccc12 ZINC000077409335 494077095 /nfs/dbraw/zinc/07/70/95/494077095.db2.gz DPUKQSXNGWXLCE-UHFFFAOYSA-N 1 2 364.474 3.221 20 30 FGEDLO COCC[N@H+](CC(=O)NCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000063753528 494084479 /nfs/dbraw/zinc/08/44/79/494084479.db2.gz VIJYDPRPFCOKLR-UHFFFAOYSA-N 1 2 357.498 3.093 20 30 FGEDLO COCC[N@@H+](CC(=O)NCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000063753528 494084483 /nfs/dbraw/zinc/08/44/83/494084483.db2.gz VIJYDPRPFCOKLR-UHFFFAOYSA-N 1 2 357.498 3.093 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754306 494084638 /nfs/dbraw/zinc/08/46/38/494084638.db2.gz ZWGFZDGEQVSFRB-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(C#N)cc1 ZINC000063754306 494084640 /nfs/dbraw/zinc/08/46/40/494084640.db2.gz ZWGFZDGEQVSFRB-UHFFFAOYSA-N 1 2 355.413 3.093 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCC(F)(F)F)cc1 ZINC000064635039 494139374 /nfs/dbraw/zinc/13/93/74/494139374.db2.gz LKUBIKPCWKUIRJ-UHFFFAOYSA-N 1 2 357.376 3.216 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCC(F)(F)F)cc1 ZINC000064635039 494139378 /nfs/dbraw/zinc/13/93/78/494139378.db2.gz LKUBIKPCWKUIRJ-UHFFFAOYSA-N 1 2 357.376 3.216 20 30 FGEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccsc1 ZINC000042504778 494224117 /nfs/dbraw/zinc/22/41/17/494224117.db2.gz RBGPKIOZCDMQQF-UHFFFAOYSA-N 1 2 366.408 3.367 20 30 FGEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccsc1 ZINC000042504778 494224123 /nfs/dbraw/zinc/22/41/23/494224123.db2.gz RBGPKIOZCDMQQF-UHFFFAOYSA-N 1 2 366.408 3.367 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000072665949 494230094 /nfs/dbraw/zinc/23/00/94/494230094.db2.gz CQJXMQZOTVKANF-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000072665949 494230097 /nfs/dbraw/zinc/23/00/97/494230097.db2.gz CQJXMQZOTVKANF-SFHVURJKSA-N 1 2 353.422 3.116 20 30 FGEDLO Cc1csc2nc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000072898062 494277918 /nfs/dbraw/zinc/27/79/18/494277918.db2.gz MMNSKOGMBOZZSD-ROUUACIJSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1csc2nc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000072898062 494277924 /nfs/dbraw/zinc/27/79/24/494277924.db2.gz MMNSKOGMBOZZSD-ROUUACIJSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cs1 ZINC000072920165 494284239 /nfs/dbraw/zinc/28/42/39/494284239.db2.gz XNPSAYRBDQRZFS-LBPRGKRZSA-N 1 2 360.483 3.433 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)cc1 ZINC000055820546 494411008 /nfs/dbraw/zinc/41/10/08/494411008.db2.gz NSQGDOFSUNSXMA-UHFFFAOYSA-N 1 2 362.433 3.153 20 30 FGEDLO Cc1nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000079272933 494428391 /nfs/dbraw/zinc/42/83/91/494428391.db2.gz MCYPVRAQHHWGNF-GASCZTMLSA-N 1 2 364.449 3.123 20 30 FGEDLO Cc1nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000079272933 494428398 /nfs/dbraw/zinc/42/83/98/494428398.db2.gz MCYPVRAQHHWGNF-GASCZTMLSA-N 1 2 364.449 3.123 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502829 494466945 /nfs/dbraw/zinc/46/69/45/494466945.db2.gz DVGCAHDNZUNYRE-GOSISDBHSA-N 1 2 369.490 3.282 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502829 494466950 /nfs/dbraw/zinc/46/69/50/494466950.db2.gz DVGCAHDNZUNYRE-GOSISDBHSA-N 1 2 369.490 3.282 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000079504539 494468531 /nfs/dbraw/zinc/46/85/31/494468531.db2.gz BORSBMGTMZJIFM-UHFFFAOYSA-N 1 2 364.536 3.084 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000079504539 494468536 /nfs/dbraw/zinc/46/85/36/494468536.db2.gz BORSBMGTMZJIFM-UHFFFAOYSA-N 1 2 364.536 3.084 20 30 FGEDLO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000079505619 494469578 /nfs/dbraw/zinc/46/95/78/494469578.db2.gz JGSMABHTJAXVTG-UHFFFAOYSA-N 1 2 357.504 3.322 20 30 FGEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)no1 ZINC000067099134 494476195 /nfs/dbraw/zinc/47/61/95/494476195.db2.gz OMDHXWLDMVMZNF-UHFFFAOYSA-N 1 2 367.409 3.004 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000046040634 494488987 /nfs/dbraw/zinc/48/89/87/494488987.db2.gz ULKHWXVSMUCTDF-BJMVGYQFSA-N 1 2 360.461 3.099 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)c1cccc(F)c1 ZINC000571399186 505724646 /nfs/dbraw/zinc/72/46/46/505724646.db2.gz IDHCJFPGWVCSEB-GOSISDBHSA-N 1 2 369.444 3.374 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000067320280 494514538 /nfs/dbraw/zinc/51/45/38/494514538.db2.gz UADBXOWWRSYZOQ-UHFFFAOYSA-N 1 2 366.465 3.386 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccccc1F ZINC000056512331 494516690 /nfs/dbraw/zinc/51/66/90/494516690.db2.gz BURYMSWQWJFNGS-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccccc1F ZINC000056512331 494516693 /nfs/dbraw/zinc/51/66/93/494516693.db2.gz BURYMSWQWJFNGS-UHFFFAOYSA-N 1 2 356.441 3.481 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161652 494545119 /nfs/dbraw/zinc/54/51/19/494545119.db2.gz VGTZOIZPQDXVIY-WBVHZDCISA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161652 494545124 /nfs/dbraw/zinc/54/51/24/494545124.db2.gz VGTZOIZPQDXVIY-WBVHZDCISA-N 1 2 360.820 3.244 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000125950496 494586211 /nfs/dbraw/zinc/58/62/11/494586211.db2.gz SEDLTDLMJPYVRG-CRAIPNDOSA-N 1 2 369.465 3.352 20 30 FGEDLO C=CCOc1ccc(C[N@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000092360998 494605352 /nfs/dbraw/zinc/60/53/52/494605352.db2.gz QNNBSPPDABBPAS-HNNXBMFYSA-N 1 2 355.887 3.080 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000092360998 494605360 /nfs/dbraw/zinc/60/53/60/494605360.db2.gz QNNBSPPDABBPAS-HNNXBMFYSA-N 1 2 355.887 3.080 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)s1 ZINC000126012910 494606301 /nfs/dbraw/zinc/60/63/01/494606301.db2.gz LLQSAHCEOPQQGS-UHFFFAOYSA-N 1 2 361.417 3.246 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)s1 ZINC000126012910 494606308 /nfs/dbraw/zinc/60/63/08/494606308.db2.gz LLQSAHCEOPQQGS-UHFFFAOYSA-N 1 2 361.417 3.246 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115843808 494640273 /nfs/dbraw/zinc/64/02/73/494640273.db2.gz AXAFBZMNQPMRRL-GOSISDBHSA-N 1 2 372.419 3.281 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cnn(C)c1 ZINC000108362826 494689213 /nfs/dbraw/zinc/68/92/13/494689213.db2.gz NUSVZFIJQNYNSY-OAHLLOKOSA-N 1 2 371.510 3.132 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)Cc1cnn(C)c1 ZINC000108362826 494689220 /nfs/dbraw/zinc/68/92/20/494689220.db2.gz NUSVZFIJQNYNSY-OAHLLOKOSA-N 1 2 371.510 3.132 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857045 494707516 /nfs/dbraw/zinc/70/75/16/494707516.db2.gz HRXIECMHKFDKBQ-UHFFFAOYSA-N 1 2 356.857 3.085 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857045 494707522 /nfs/dbraw/zinc/70/75/22/494707522.db2.gz HRXIECMHKFDKBQ-UHFFFAOYSA-N 1 2 356.857 3.085 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025421515 494738402 /nfs/dbraw/zinc/73/84/02/494738402.db2.gz GTTDEBZPXISCSB-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025421515 494738408 /nfs/dbraw/zinc/73/84/08/494738408.db2.gz GTTDEBZPXISCSB-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075620831 494803122 /nfs/dbraw/zinc/80/31/22/494803122.db2.gz ASCHRNRGCVAZKD-INIZCTEOSA-N 1 2 350.422 3.345 20 30 FGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000075620831 494803128 /nfs/dbraw/zinc/80/31/28/494803128.db2.gz ASCHRNRGCVAZKD-INIZCTEOSA-N 1 2 350.422 3.345 20 30 FGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000075645144 494809042 /nfs/dbraw/zinc/80/90/42/494809042.db2.gz ARELYQGLPMQTBT-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000093100243 494825619 /nfs/dbraw/zinc/82/56/19/494825619.db2.gz CXNRZSHTHDQIDJ-UHFFFAOYSA-N 1 2 361.449 3.296 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000093100243 494825622 /nfs/dbraw/zinc/82/56/22/494825622.db2.gz CXNRZSHTHDQIDJ-UHFFFAOYSA-N 1 2 361.449 3.296 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N[C@@H](C#N)C3CC3)cn2c1 ZINC000109065624 494825819 /nfs/dbraw/zinc/82/58/19/494825819.db2.gz SIWCIAYOUSPHCV-SFHVURJKSA-N 1 2 360.417 3.254 20 30 FGEDLO C[C@]([NH2+]Cc1ccc(F)c(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000121687452 494838485 /nfs/dbraw/zinc/83/84/85/494838485.db2.gz BMJXQZMJACLRSQ-QGZVFWFLSA-N 1 2 365.330 3.206 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)s1 ZINC000126814602 494843259 /nfs/dbraw/zinc/84/32/59/494843259.db2.gz SAKQWEXFNWKHLA-UHFFFAOYSA-N 1 2 353.491 3.287 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109759603 494915641 /nfs/dbraw/zinc/91/56/41/494915641.db2.gz DZWYYTHRQPXMFR-BBRMVZONSA-N 1 2 374.428 3.291 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000109759603 494915644 /nfs/dbraw/zinc/91/56/44/494915644.db2.gz DZWYYTHRQPXMFR-BBRMVZONSA-N 1 2 374.428 3.291 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000109768675 494916660 /nfs/dbraw/zinc/91/66/60/494916660.db2.gz SITCNHTWJMYGAQ-HXUWFJFHSA-N 1 2 366.486 3.377 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000109768675 494916663 /nfs/dbraw/zinc/91/66/63/494916663.db2.gz SITCNHTWJMYGAQ-HXUWFJFHSA-N 1 2 366.486 3.377 20 30 FGEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nc(C(F)(F)F)cs1 ZINC000093814642 494923929 /nfs/dbraw/zinc/92/39/29/494923929.db2.gz UJIHYCBGCHQNFK-UHFFFAOYSA-N 1 2 351.357 3.313 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000122205164 494940640 /nfs/dbraw/zinc/94/06/40/494940640.db2.gz BLMUNWCFVLTMOG-HXUWFJFHSA-N 1 2 351.425 3.281 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cnc(C#N)cn2)cc1 ZINC000127660193 494977609 /nfs/dbraw/zinc/97/76/09/494977609.db2.gz OUTWYDAXBULSBE-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133156839 494978139 /nfs/dbraw/zinc/97/81/39/494978139.db2.gz SRFMOONDUPEXLK-HNAYVOBHSA-N 1 2 363.889 3.238 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133156839 494978142 /nfs/dbraw/zinc/97/81/42/494978142.db2.gz SRFMOONDUPEXLK-HNAYVOBHSA-N 1 2 363.889 3.238 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000122907399 495050308 /nfs/dbraw/zinc/05/03/08/495050308.db2.gz QXUGWAUFKOQGCG-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000122946404 495057272 /nfs/dbraw/zinc/05/72/72/495057272.db2.gz SMCRGLUYEPDTIG-UHFFFAOYSA-N 1 2 366.421 3.357 20 30 FGEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000111307988 495063094 /nfs/dbraw/zinc/06/30/94/495063094.db2.gz DRUADOMJTCQKAX-MRXNPFEDSA-N 1 2 368.506 3.155 20 30 FGEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000111307988 495063096 /nfs/dbraw/zinc/06/30/96/495063096.db2.gz DRUADOMJTCQKAX-MRXNPFEDSA-N 1 2 368.506 3.155 20 30 FGEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101555000 495075888 /nfs/dbraw/zinc/07/58/88/495075888.db2.gz LHULUHCVFXGXAL-UHFFFAOYSA-N 1 2 362.477 3.442 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866001 495103797 /nfs/dbraw/zinc/10/37/97/495103797.db2.gz GYENRACCHPOXGP-LJQANCHMSA-N 1 2 352.438 3.022 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)c1 ZINC000103138828 495197167 /nfs/dbraw/zinc/19/71/67/495197167.db2.gz SGFAXOQCONDGTC-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120037025 495293302 /nfs/dbraw/zinc/29/33/02/495293302.db2.gz NBVLHWTXYDITRM-INIZCTEOSA-N 1 2 364.449 3.236 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120037025 495293304 /nfs/dbraw/zinc/29/33/04/495293304.db2.gz NBVLHWTXYDITRM-INIZCTEOSA-N 1 2 364.449 3.236 20 30 FGEDLO C[C@@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000104715091 495300586 /nfs/dbraw/zinc/30/05/86/495300586.db2.gz HHVFPRNNJOAOPQ-OAHLLOKOSA-N 1 2 369.490 3.340 20 30 FGEDLO COc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1OCC#N ZINC000120319953 495351009 /nfs/dbraw/zinc/35/10/09/495351009.db2.gz VHPCOIMRTKZIQJ-IQIBNGDESA-N 1 2 366.421 3.088 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000120444763 495379897 /nfs/dbraw/zinc/37/98/97/495379897.db2.gz FLJDMTFFHPNTKZ-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000120444763 495379902 /nfs/dbraw/zinc/37/99/02/495379902.db2.gz FLJDMTFFHPNTKZ-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000136785747 495401418 /nfs/dbraw/zinc/40/14/18/495401418.db2.gz POHPWDMTAMQEGZ-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000137116394 495424054 /nfs/dbraw/zinc/42/40/54/495424054.db2.gz ORXRLKJJOZLGNM-CALCHBBNSA-N 1 2 361.486 3.010 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000137116394 495424059 /nfs/dbraw/zinc/42/40/59/495424059.db2.gz ORXRLKJJOZLGNM-CALCHBBNSA-N 1 2 361.486 3.010 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Br)s1 ZINC000138819676 495468838 /nfs/dbraw/zinc/46/88/38/495468838.db2.gz DRNUIRJVJFVOSU-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Br)s1 ZINC000138819676 495468842 /nfs/dbraw/zinc/46/88/42/495468842.db2.gz DRNUIRJVJFVOSU-UHFFFAOYSA-N 1 2 370.316 3.285 20 30 FGEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)s1 ZINC000125739622 495490590 /nfs/dbraw/zinc/49/05/90/495490590.db2.gz PUWKJVKUQYDRGB-HNNXBMFYSA-N 1 2 371.441 3.133 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000115379582 495497347 /nfs/dbraw/zinc/49/73/47/495497347.db2.gz WCKWNYUDXNSEEK-QGZVFWFLSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000115379582 495497353 /nfs/dbraw/zinc/49/73/53/495497353.db2.gz WCKWNYUDXNSEEK-QGZVFWFLSA-N 1 2 372.831 3.140 20 30 FGEDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OCC ZINC000115595230 495520456 /nfs/dbraw/zinc/52/04/56/495520456.db2.gz UCTJQENEJFROGW-VLIAUNLRSA-N 1 2 367.449 3.233 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107443406 495527640 /nfs/dbraw/zinc/52/76/40/495527640.db2.gz MCWNZNUQYVXIJN-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000170646464 495544971 /nfs/dbraw/zinc/54/49/71/495544971.db2.gz XLIYCKCIBGALOU-KRWDZBQOSA-N 1 2 362.477 3.270 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000176244600 495561659 /nfs/dbraw/zinc/56/16/59/495561659.db2.gz GKVNCLCOIVJDJQ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000176244600 495561663 /nfs/dbraw/zinc/56/16/63/495561663.db2.gz GKVNCLCOIVJDJQ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000170686809 495566046 /nfs/dbraw/zinc/56/60/46/495566046.db2.gz JUXLNLQBHVZGEP-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c1C#N ZINC000170768796 495596102 /nfs/dbraw/zinc/59/61/02/495596102.db2.gz QOYJLRAPWAFVGT-OAHLLOKOSA-N 1 2 366.465 3.015 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c1C#N ZINC000170768796 495596108 /nfs/dbraw/zinc/59/61/08/495596108.db2.gz QOYJLRAPWAFVGT-OAHLLOKOSA-N 1 2 366.465 3.015 20 30 FGEDLO N#CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000185505811 495602808 /nfs/dbraw/zinc/60/28/08/495602808.db2.gz RYZWGDGKQREFKY-FQEVSTJZSA-N 1 2 353.853 3.487 20 30 FGEDLO Cc1[nH+]cccc1Cc1noc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000577834361 505800489 /nfs/dbraw/zinc/80/04/89/505800489.db2.gz QYKLSWYDNTWRRZ-MRXNPFEDSA-N 1 2 363.396 3.369 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173787877 495693003 /nfs/dbraw/zinc/69/30/03/495693003.db2.gz LAXQOXNUCWSVHX-UHFFFAOYSA-N 1 2 368.412 3.023 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000171087299 495719358 /nfs/dbraw/zinc/71/93/58/495719358.db2.gz VSVNFFUSRCBGKD-UHFFFAOYSA-N 1 2 356.332 3.457 20 30 FGEDLO Cn1c(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2ccccc21 ZINC000182883129 495740057 /nfs/dbraw/zinc/74/00/57/495740057.db2.gz CHCHRFPSCJSREP-HXUWFJFHSA-N 1 2 373.460 3.072 20 30 FGEDLO Cn1c(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2ccccc21 ZINC000182883129 495740066 /nfs/dbraw/zinc/74/00/66/495740066.db2.gz CHCHRFPSCJSREP-HXUWFJFHSA-N 1 2 373.460 3.072 20 30 FGEDLO Cn1c(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2ccccc21 ZINC000182883152 495740435 /nfs/dbraw/zinc/74/04/35/495740435.db2.gz CHCHRFPSCJSREP-FQEVSTJZSA-N 1 2 373.460 3.072 20 30 FGEDLO Cn1c(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc2ccccc21 ZINC000182883152 495740440 /nfs/dbraw/zinc/74/04/40/495740440.db2.gz CHCHRFPSCJSREP-FQEVSTJZSA-N 1 2 373.460 3.072 20 30 FGEDLO COc1ccc(C(=O)C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000179881040 495768709 /nfs/dbraw/zinc/76/87/09/495768709.db2.gz YTGWYXWWJUGOKX-UHFFFAOYSA-N 1 2 374.444 3.309 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OC(F)F)cc1C ZINC000179988582 495812504 /nfs/dbraw/zinc/81/25/04/495812504.db2.gz CWEDLLOLQMZQQV-UHFFFAOYSA-N 1 2 372.419 3.494 20 30 FGEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000155154691 495855263 /nfs/dbraw/zinc/85/52/63/495855263.db2.gz HNYNZEJPYPAWNV-LBPRGKRZSA-N 1 2 370.266 3.171 20 30 FGEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(C)CCC#N ZINC000155154691 495855269 /nfs/dbraw/zinc/85/52/69/495855269.db2.gz HNYNZEJPYPAWNV-LBPRGKRZSA-N 1 2 370.266 3.171 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000155252528 495891871 /nfs/dbraw/zinc/89/18/71/495891871.db2.gz XJEIQKGGTBLLDV-IBGZPJMESA-N 1 2 361.449 3.361 20 30 FGEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000155249798 495891931 /nfs/dbraw/zinc/89/19/31/495891931.db2.gz GPWFUENJKOOHDI-INIZCTEOSA-N 1 2 353.422 3.205 20 30 FGEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1 ZINC000155249798 495891937 /nfs/dbraw/zinc/89/19/37/495891937.db2.gz GPWFUENJKOOHDI-INIZCTEOSA-N 1 2 353.422 3.205 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000580691147 505814778 /nfs/dbraw/zinc/81/47/78/505814778.db2.gz WDPFMSRZPNEGDJ-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO FC(F)(F)c1ccc(C#CCN2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000177283371 496005468 /nfs/dbraw/zinc/00/54/68/496005468.db2.gz GSHQBYJQMIIGAE-IBGZPJMESA-N 1 2 366.427 3.244 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186485713 496015337 /nfs/dbraw/zinc/01/53/37/496015337.db2.gz ICIMVLCAOPNEIN-UHFFFAOYSA-N 1 2 358.388 3.329 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000160751078 496034790 /nfs/dbraw/zinc/03/47/90/496034790.db2.gz AAQLVVKCLMQNKA-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000160751078 496034793 /nfs/dbraw/zinc/03/47/93/496034793.db2.gz AAQLVVKCLMQNKA-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000155707256 496041149 /nfs/dbraw/zinc/04/11/49/496041149.db2.gz XJQXCAUPQZHRSH-UHFFFAOYSA-N 1 2 353.422 3.044 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc(Br)c1 ZINC000171923502 496093002 /nfs/dbraw/zinc/09/30/02/496093002.db2.gz SYOIUIFSMRBTCY-CQSZACIVSA-N 1 2 355.195 3.091 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177601846 496128594 /nfs/dbraw/zinc/12/85/94/496128594.db2.gz DBTMGENCZFTMHR-YOEHRIQHSA-N 1 2 353.426 3.268 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574676884 505829355 /nfs/dbraw/zinc/82/93/55/505829355.db2.gz QPCVDKFIXOHWRY-MRXNPFEDSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574676884 505829359 /nfs/dbraw/zinc/82/93/59/505829359.db2.gz QPCVDKFIXOHWRY-MRXNPFEDSA-N 1 2 354.841 3.425 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1C ZINC000161589510 496203153 /nfs/dbraw/zinc/20/31/53/496203153.db2.gz CHVVIEFYEYIVDD-KRWDZBQOSA-N 1 2 358.404 3.109 20 30 FGEDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181072433 496261019 /nfs/dbraw/zinc/26/10/19/496261019.db2.gz YSFOXRJKVONBNV-UHFFFAOYSA-N 1 2 364.287 3.011 20 30 FGEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181072433 496261023 /nfs/dbraw/zinc/26/10/23/496261023.db2.gz YSFOXRJKVONBNV-UHFFFAOYSA-N 1 2 364.287 3.011 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccccc1C#N ZINC000172459585 496304365 /nfs/dbraw/zinc/30/43/65/496304365.db2.gz FZCLBMMHUYDOFX-CMDGGOBGSA-N 1 2 361.445 3.351 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000153134487 496364197 /nfs/dbraw/zinc/36/41/97/496364197.db2.gz YNDWDOAXIQROPU-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000178205581 496368754 /nfs/dbraw/zinc/36/87/54/496368754.db2.gz WGTZLAZCIQJABO-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000178205581 496368761 /nfs/dbraw/zinc/36/87/61/496368761.db2.gz WGTZLAZCIQJABO-CYBMUJFWSA-N 1 2 373.482 3.216 20 30 FGEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)n2c1 ZINC000162755465 496408159 /nfs/dbraw/zinc/40/81/59/496408159.db2.gz TWIUVVVEAGARTA-UHFFFAOYSA-N 1 2 371.897 3.239 20 30 FGEDLO O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000181479336 496413476 /nfs/dbraw/zinc/41/34/76/496413476.db2.gz OXEHHSRZJAMGHE-BAQGIRSFSA-N 1 2 371.246 3.151 20 30 FGEDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000175501731 496417536 /nfs/dbraw/zinc/41/75/36/496417536.db2.gz HEQZEZHCPYUCTC-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO Cc1nc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)sc1C ZINC000157542832 496499019 /nfs/dbraw/zinc/49/90/19/496499019.db2.gz TYUSANWVWUHKKX-UHFFFAOYSA-N 1 2 351.479 3.207 20 30 FGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000157657525 496523702 /nfs/dbraw/zinc/52/37/02/496523702.db2.gz SGORPLFIHFWNPA-GJZGRUSLSA-N 1 2 351.878 3.047 20 30 FGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000157657525 496523708 /nfs/dbraw/zinc/52/37/08/496523708.db2.gz SGORPLFIHFWNPA-GJZGRUSLSA-N 1 2 351.878 3.047 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1ccc(F)c(F)c1 ZINC000187774880 496566732 /nfs/dbraw/zinc/56/67/32/496566732.db2.gz LAGPYESRPZNKED-MRXNPFEDSA-N 1 2 362.405 3.145 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187862984 496599211 /nfs/dbraw/zinc/59/92/11/496599211.db2.gz SVLJXVYGPWLONN-YWZLYKJASA-N 1 2 366.452 3.274 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187862984 496599216 /nfs/dbraw/zinc/59/92/16/496599216.db2.gz SVLJXVYGPWLONN-YWZLYKJASA-N 1 2 366.452 3.274 20 30 FGEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OCC(F)(F)F ZINC000571964866 505856978 /nfs/dbraw/zinc/85/69/78/505856978.db2.gz RDLLHGBXPWGIMW-UHFFFAOYSA-N 1 2 357.357 3.254 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn2c1 ZINC000263873480 496750612 /nfs/dbraw/zinc/75/06/12/496750612.db2.gz LYHSJRZEQXGCFX-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191491977 496782269 /nfs/dbraw/zinc/78/22/69/496782269.db2.gz WMGFXEFRBAHGDF-SFHVURJKSA-N 1 2 370.518 3.251 20 30 FGEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191491977 496782273 /nfs/dbraw/zinc/78/22/73/496782273.db2.gz WMGFXEFRBAHGDF-SFHVURJKSA-N 1 2 370.518 3.251 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000269414613 496942078 /nfs/dbraw/zinc/94/20/78/496942078.db2.gz HAZSRHWTNLMVNS-WHDAMIPWSA-N 1 2 373.478 3.137 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000269414613 496942080 /nfs/dbraw/zinc/94/20/80/496942080.db2.gz HAZSRHWTNLMVNS-WHDAMIPWSA-N 1 2 373.478 3.137 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000248447353 497014257 /nfs/dbraw/zinc/01/42/57/497014257.db2.gz HHYCBHUANGTOSR-CXAGYDPISA-N 1 2 371.412 3.388 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c1C ZINC000248447353 497014264 /nfs/dbraw/zinc/01/42/64/497014264.db2.gz HHYCBHUANGTOSR-CXAGYDPISA-N 1 2 371.412 3.388 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000248873292 497121692 /nfs/dbraw/zinc/12/16/92/497121692.db2.gz VMXLDIBUJRFRJO-NOLJZWGESA-N 1 2 363.255 3.094 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000248873292 497121695 /nfs/dbraw/zinc/12/16/95/497121695.db2.gz VMXLDIBUJRFRJO-NOLJZWGESA-N 1 2 363.255 3.094 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2nccn2C)c1 ZINC000249037927 497152468 /nfs/dbraw/zinc/15/24/68/497152468.db2.gz TXYFBONGJPXJLD-OGWOLHLISA-N 1 2 354.454 3.199 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000274978683 497210520 /nfs/dbraw/zinc/21/05/20/497210520.db2.gz UZTFEEACHMBFKW-SFHVURJKSA-N 1 2 354.498 3.428 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271047516 497253259 /nfs/dbraw/zinc/25/32/59/497253259.db2.gz RUIGQCBLIFXSNT-SFHVURJKSA-N 1 2 354.479 3.188 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000275226835 497259974 /nfs/dbraw/zinc/25/99/74/497259974.db2.gz CPMFPWFLQYQUCM-AEFFLSMTSA-N 1 2 367.453 3.263 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000569296940 505899512 /nfs/dbraw/zinc/89/95/12/505899512.db2.gz UMOFMHSHFGLVOQ-GQCTYLIASA-N 1 2 369.450 3.067 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(SC(=O)N(C)C)cc2)n1 ZINC000279684300 497509065 /nfs/dbraw/zinc/50/90/65/497509065.db2.gz GWDHQBNZNHKMTP-UHFFFAOYSA-N 1 2 356.495 3.312 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(SC(=O)N(C)C)cc2)n1 ZINC000279684300 497509069 /nfs/dbraw/zinc/50/90/69/497509069.db2.gz GWDHQBNZNHKMTP-UHFFFAOYSA-N 1 2 356.495 3.312 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000276263866 497531770 /nfs/dbraw/zinc/53/17/70/497531770.db2.gz QDBSKHKLOPQGQZ-QFIPXVFZSA-N 1 2 367.493 3.239 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000272472053 497638191 /nfs/dbraw/zinc/63/81/91/497638191.db2.gz DVIOLORUOTWNBE-MRXNPFEDSA-N 1 2 356.470 3.237 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000272628088 497682999 /nfs/dbraw/zinc/68/29/99/497682999.db2.gz VWLDACBWQMAPSE-UHFFFAOYSA-N 1 2 355.438 3.292 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000191143314 497722574 /nfs/dbraw/zinc/72/25/74/497722574.db2.gz AXLMWJJWZTXXRB-CHWSQXEVSA-N 1 2 361.511 3.305 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000191143314 497722582 /nfs/dbraw/zinc/72/25/82/497722582.db2.gz AXLMWJJWZTXXRB-CHWSQXEVSA-N 1 2 361.511 3.305 20 30 FGEDLO N#Cc1csc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000578378272 505926852 /nfs/dbraw/zinc/92/68/52/505926852.db2.gz XEQJUXMEMKUYTP-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)s1 ZINC000280459823 497760803 /nfs/dbraw/zinc/76/08/03/497760803.db2.gz HEFCQDACABOTPA-UHFFFAOYSA-N 1 2 368.506 3.211 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000268492259 497764259 /nfs/dbraw/zinc/76/42/59/497764259.db2.gz OUEZVXIXWLOJKE-UHFFFAOYSA-N 1 2 367.478 3.083 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000268492259 497764263 /nfs/dbraw/zinc/76/42/63/497764263.db2.gz OUEZVXIXWLOJKE-UHFFFAOYSA-N 1 2 367.478 3.083 20 30 FGEDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329628655 497850781 /nfs/dbraw/zinc/85/07/81/497850781.db2.gz UUQUFELKLCFYQW-DNVCBOLYSA-N 1 2 351.450 3.496 20 30 FGEDLO CCc1nc2c(s1)[C@H](N(C)C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000329749243 497888671 /nfs/dbraw/zinc/88/86/71/497888671.db2.gz UCFGUDXDFPSOKL-XHDPSFHLSA-N 1 2 359.499 3.209 20 30 FGEDLO CCc1nc2c(s1)[C@H](N(C)C([O-])=[NH+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000329749243 497888677 /nfs/dbraw/zinc/88/86/77/497888677.db2.gz UCFGUDXDFPSOKL-XHDPSFHLSA-N 1 2 359.499 3.209 20 30 FGEDLO O=C(C[N@@H+]1CCOCC2(CCC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000329780784 497899280 /nfs/dbraw/zinc/89/92/80/497899280.db2.gz MUTQIRXFMCSSKG-UHFFFAOYSA-N 1 2 358.486 3.162 20 30 FGEDLO O=C(C[N@H+]1CCOCC2(CCC2)C1)Nc1ccc(N2CCCCC2)nc1 ZINC000329780784 497899284 /nfs/dbraw/zinc/89/92/84/497899284.db2.gz MUTQIRXFMCSSKG-UHFFFAOYSA-N 1 2 358.486 3.162 20 30 FGEDLO CCNC(=O)C1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000329814740 497910566 /nfs/dbraw/zinc/91/05/66/497910566.db2.gz NQQWLWWNNGZLEQ-UHFFFAOYSA-N 1 2 367.453 3.340 20 30 FGEDLO Cc1sccc1CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329884484 497939090 /nfs/dbraw/zinc/93/90/90/497939090.db2.gz SLCSFBSYLGEKOW-CQSZACIVSA-N 1 2 363.527 3.031 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000296225761 497962126 /nfs/dbraw/zinc/96/21/26/497962126.db2.gz FYVUUIGSHRREPJ-WMZOPIPTSA-N 1 2 355.486 3.344 20 30 FGEDLO CC1CC[NH+](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000329940725 497962832 /nfs/dbraw/zinc/96/28/32/497962832.db2.gz BWAYZISJSQZPGS-GASCZTMLSA-N 1 2 366.531 3.072 20 30 FGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCc2ccc(F)cc21 ZINC000329950020 497966302 /nfs/dbraw/zinc/96/63/02/497966302.db2.gz HPJJWVCDNVDBAL-AEFFLSMTSA-N 1 2 354.429 3.381 20 30 FGEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)oc3ccccc34)C[C@H]21 ZINC000329954135 497968354 /nfs/dbraw/zinc/96/83/54/497968354.db2.gz JVKKXRBZSVIPKR-APWZRJJASA-N 1 2 351.406 3.146 20 30 FGEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)oc3ccccc34)C[C@H]21 ZINC000329954135 497968359 /nfs/dbraw/zinc/96/83/59/497968359.db2.gz JVKKXRBZSVIPKR-APWZRJJASA-N 1 2 351.406 3.146 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N3CC[C@]4(C3)OCc3ccccc34)[nH+]c2c1 ZINC000329987681 497981096 /nfs/dbraw/zinc/98/10/96/497981096.db2.gz SVDOYSALFLHFCH-OAQYLSRUSA-N 1 2 362.433 3.188 20 30 FGEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C[C@H]21 ZINC000329993866 497984475 /nfs/dbraw/zinc/98/44/75/497984475.db2.gz YUNMONDUHPBTAX-MOPGFXCFSA-N 1 2 371.481 3.010 20 30 FGEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)C[C@H]21 ZINC000329993866 497984482 /nfs/dbraw/zinc/98/44/82/497984482.db2.gz YUNMONDUHPBTAX-MOPGFXCFSA-N 1 2 371.481 3.010 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281039378 497996833 /nfs/dbraw/zinc/99/68/33/497996833.db2.gz NURSKYVXYUYKBZ-HQRMLTQVSA-N 1 2 373.497 3.183 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578537766 505963495 /nfs/dbraw/zinc/96/34/95/505963495.db2.gz JBJPVLQTZAYRID-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578537766 505963499 /nfs/dbraw/zinc/96/34/99/505963499.db2.gz JBJPVLQTZAYRID-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098058 498020501 /nfs/dbraw/zinc/02/05/01/498020501.db2.gz BJYMFYWJFKQBQZ-GUXCAODWSA-N 1 2 362.470 3.332 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098058 498020506 /nfs/dbraw/zinc/02/05/06/498020506.db2.gz BJYMFYWJFKQBQZ-GUXCAODWSA-N 1 2 362.470 3.332 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)sc1C ZINC000330098943 498020831 /nfs/dbraw/zinc/02/08/31/498020831.db2.gz CLSLMTLPSRQSFJ-BTJLNZGRSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)sc1C ZINC000330098943 498020834 /nfs/dbraw/zinc/02/08/34/498020834.db2.gz CLSLMTLPSRQSFJ-BTJLNZGRSA-N 1 2 353.488 3.006 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000330100581 498021853 /nfs/dbraw/zinc/02/18/53/498021853.db2.gz DOFSKIPLJDCJNR-CVEARBPZSA-N 1 2 370.453 3.184 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C[C@]2(CCOC2)O1 ZINC000330103626 498023264 /nfs/dbraw/zinc/02/32/64/498023264.db2.gz GKKYSEPLHGCHQN-QFUCXCTJSA-N 1 2 360.498 3.152 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)Cc2ccccc2C)C[C@]2(CCOC2)O1 ZINC000330103626 498023270 /nfs/dbraw/zinc/02/32/70/498023270.db2.gz GKKYSEPLHGCHQN-QFUCXCTJSA-N 1 2 360.498 3.152 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000581374697 505974346 /nfs/dbraw/zinc/97/43/46/505974346.db2.gz WOBUETLFXBYVFX-OAQYLSRUSA-N 1 2 365.433 3.176 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000581374697 505974349 /nfs/dbraw/zinc/97/43/49/505974349.db2.gz WOBUETLFXBYVFX-OAQYLSRUSA-N 1 2 365.433 3.176 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000296520238 498078139 /nfs/dbraw/zinc/07/81/39/498078139.db2.gz OUQJKOAZLNEDAL-CSBKYJRVSA-N 1 2 362.424 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000296520238 498078141 /nfs/dbraw/zinc/07/81/41/498078141.db2.gz OUQJKOAZLNEDAL-CSBKYJRVSA-N 1 2 362.424 3.092 20 30 FGEDLO CC(C)(C)n1ncnc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285422722 498080541 /nfs/dbraw/zinc/08/05/41/498080541.db2.gz GRAOIGSOBPCBLW-UHFFFAOYSA-N 1 2 357.433 3.087 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COc1ccccc1 ZINC000581378452 505975480 /nfs/dbraw/zinc/97/54/80/505975480.db2.gz KLHCHKWDCFWASZ-LJQANCHMSA-N 1 2 351.450 3.164 20 30 FGEDLO O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330274734 498090023 /nfs/dbraw/zinc/09/00/23/498090023.db2.gz KOOMWHJJVVOCBY-NBHGPNQESA-N 1 2 371.456 3.315 20 30 FGEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)cc(OC)c1OCC(F)F ZINC000289313324 498101100 /nfs/dbraw/zinc/10/11/00/498101100.db2.gz JJALLCMPMWBNET-UHFFFAOYSA-N 1 2 354.397 3.473 20 30 FGEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)cc(OC)c1OCC(F)F ZINC000289313324 498101104 /nfs/dbraw/zinc/10/11/04/498101104.db2.gz JJALLCMPMWBNET-UHFFFAOYSA-N 1 2 354.397 3.473 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(-c3cccc(OC)c3)n2)C1=O ZINC000281312892 498101215 /nfs/dbraw/zinc/10/12/15/498101215.db2.gz KQTLVWNQHOQHRT-QGZVFWFLSA-N 1 2 357.479 3.037 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(-c3cccc(OC)c3)n2)C1=O ZINC000281312892 498101218 /nfs/dbraw/zinc/10/12/18/498101218.db2.gz KQTLVWNQHOQHRT-QGZVFWFLSA-N 1 2 357.479 3.037 20 30 FGEDLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1cccc(C#N)c1 ZINC000301422503 498103992 /nfs/dbraw/zinc/10/39/92/498103992.db2.gz FLSYRLLOELFVKQ-VIFPVBQESA-N 1 2 357.215 3.171 20 30 FGEDLO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000330321012 498104134 /nfs/dbraw/zinc/10/41/34/498104134.db2.gz FPYGAUCLVYHLRL-KLZNWCGWSA-N 1 2 366.531 3.208 20 30 FGEDLO CCCCc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285490991 498105198 /nfs/dbraw/zinc/10/51/98/498105198.db2.gz MIOVPGQRSGXMKT-UHFFFAOYSA-N 1 2 358.417 3.466 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CC[C@@H](O)C23CCCC3)c1)[NH+]1CCOCC1 ZINC000330341992 498111511 /nfs/dbraw/zinc/11/15/11/498111511.db2.gz ZZXWISYXFCPJEN-QFBILLFUSA-N 1 2 373.497 3.005 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330355722 498117679 /nfs/dbraw/zinc/11/76/79/498117679.db2.gz QVPAHOHSHNQFTR-KRWDZBQOSA-N 1 2 370.457 3.250 20 30 FGEDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc2n(n1)CCCO2 ZINC000330359165 498118326 /nfs/dbraw/zinc/11/83/26/498118326.db2.gz VSMNLNGLTKHJSY-UHFFFAOYSA-N 1 2 351.410 3.378 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296611746 498120818 /nfs/dbraw/zinc/12/08/18/498120818.db2.gz FJPUBEZIAUOJAR-BBRMVZONSA-N 1 2 353.426 3.326 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384116 498130600 /nfs/dbraw/zinc/13/06/00/498130600.db2.gz PIIRCIZKRPELIC-AEFFLSMTSA-N 1 2 357.498 3.164 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384116 498130609 /nfs/dbraw/zinc/13/06/09/498130609.db2.gz PIIRCIZKRPELIC-AEFFLSMTSA-N 1 2 357.498 3.164 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289407449 498135406 /nfs/dbraw/zinc/13/54/06/498135406.db2.gz SOJHCDJYOWQNOV-OAHLLOKOSA-N 1 2 352.413 3.241 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1C ZINC000285628491 498151974 /nfs/dbraw/zinc/15/19/74/498151974.db2.gz RAHFEOGUCKMWIX-QGZVFWFLSA-N 1 2 358.404 3.253 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1C ZINC000285628491 498151980 /nfs/dbraw/zinc/15/19/80/498151980.db2.gz RAHFEOGUCKMWIX-QGZVFWFLSA-N 1 2 358.404 3.253 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000578643547 505988067 /nfs/dbraw/zinc/98/80/67/505988067.db2.gz GZBKVSWISNFRIW-UHFFFAOYSA-N 1 2 374.366 3.243 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](CO)c3ccc(Cl)cc3)o2)cc1 ZINC000364884467 498190654 /nfs/dbraw/zinc/19/06/54/498190654.db2.gz XEWGNWKSCLHXEA-INIZCTEOSA-N 1 2 354.797 3.085 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330771622 498191329 /nfs/dbraw/zinc/19/13/29/498191329.db2.gz CLXMKRKSDDLQOU-ZDUSSCGKSA-N 1 2 363.483 3.186 20 30 FGEDLO CCc1nnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c(C#N)c1CC ZINC000301631870 498198833 /nfs/dbraw/zinc/19/88/33/498198833.db2.gz UFTPEMTVQOTKEK-QGZVFWFLSA-N 1 2 359.424 3.466 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000575765947 505999703 /nfs/dbraw/zinc/99/97/03/505999703.db2.gz HBVYOFFXPDIXSC-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000575765947 505999706 /nfs/dbraw/zinc/99/97/06/505999706.db2.gz HBVYOFFXPDIXSC-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331036976 498240811 /nfs/dbraw/zinc/24/08/11/498240811.db2.gz OCOOTCZRENDRPM-UHFFFAOYSA-N 1 2 366.531 3.046 20 30 FGEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331036976 498240817 /nfs/dbraw/zinc/24/08/17/498240817.db2.gz OCOOTCZRENDRPM-UHFFFAOYSA-N 1 2 366.531 3.046 20 30 FGEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1C#N ZINC000289681281 498245922 /nfs/dbraw/zinc/24/59/22/498245922.db2.gz FADJJDPTXGSQQT-ZDUSSCGKSA-N 1 2 353.348 3.112 20 30 FGEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1C#N ZINC000289681281 498245931 /nfs/dbraw/zinc/24/59/31/498245931.db2.gz FADJJDPTXGSQQT-ZDUSSCGKSA-N 1 2 353.348 3.112 20 30 FGEDLO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000289690794 498249384 /nfs/dbraw/zinc/24/93/84/498249384.db2.gz IDHRHJCEQUGZRY-APPZFPTMSA-N 1 2 365.065 3.115 20 30 FGEDLO Cc1ccccc1NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000360403484 498271696 /nfs/dbraw/zinc/27/16/96/498271696.db2.gz YURPWSSOGFJXMO-UHFFFAOYSA-N 1 2 354.479 3.443 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000281865041 498296939 /nfs/dbraw/zinc/29/69/39/498296939.db2.gz RBMUCQKPSRPTNY-QAPCUYQASA-N 1 2 352.438 3.296 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1C ZINC000286137024 498301793 /nfs/dbraw/zinc/30/17/93/498301793.db2.gz MXPXKCYYJMKGKV-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1C ZINC000286137024 498301798 /nfs/dbraw/zinc/30/17/98/498301798.db2.gz MXPXKCYYJMKGKV-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000293450316 498389037 /nfs/dbraw/zinc/38/90/37/498389037.db2.gz KNHRLQXDJVONCI-WBMJQRKESA-N 1 2 352.265 3.443 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000293450298 498389229 /nfs/dbraw/zinc/38/92/29/498389229.db2.gz KNHRLQXDJVONCI-MLGOLLRUSA-N 1 2 352.265 3.443 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000302218847 498448438 /nfs/dbraw/zinc/44/84/38/498448438.db2.gz QWCRXMPVLNKKGE-UHFFFAOYSA-N 1 2 373.416 3.468 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(OCc3c[nH+]ccc3OC)c2c1 ZINC000569882674 506037932 /nfs/dbraw/zinc/03/79/32/506037932.db2.gz PFRJOTGLPCMODX-UHFFFAOYSA-N 1 2 351.362 3.106 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000569912545 506045588 /nfs/dbraw/zinc/04/55/88/506045588.db2.gz IAPYWBBOAJMUSR-HKUYNNGSSA-N 1 2 363.465 3.189 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000569912545 506045589 /nfs/dbraw/zinc/04/55/89/506045589.db2.gz IAPYWBBOAJMUSR-HKUYNNGSSA-N 1 2 363.465 3.189 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2OC)cc1 ZINC000362719697 498544706 /nfs/dbraw/zinc/54/47/06/498544706.db2.gz NKTHGEYXMNLDBV-OAQYLSRUSA-N 1 2 361.445 3.320 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000362814740 498558526 /nfs/dbraw/zinc/55/85/26/498558526.db2.gz PDPGAWZXKVTZMD-MRXNPFEDSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000362814740 498558532 /nfs/dbraw/zinc/55/85/32/498558532.db2.gz PDPGAWZXKVTZMD-MRXNPFEDSA-N 1 2 357.483 3.054 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000332430319 498685367 /nfs/dbraw/zinc/68/53/67/498685367.db2.gz DZWWMDRDSYHPSG-CYBMUJFWSA-N 1 2 357.439 3.115 20 30 FGEDLO Cc1cccc(C[N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1C ZINC000298220902 498698786 /nfs/dbraw/zinc/69/87/86/498698786.db2.gz GAXOLLWCLYECHW-SFHVURJKSA-N 1 2 374.444 3.261 20 30 FGEDLO Cc1cccc(C[N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1C ZINC000298220902 498698790 /nfs/dbraw/zinc/69/87/90/498698790.db2.gz GAXOLLWCLYECHW-SFHVURJKSA-N 1 2 374.444 3.261 20 30 FGEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)CC1 ZINC000303828930 498719897 /nfs/dbraw/zinc/71/98/97/498719897.db2.gz ZEBRBUWRWFFNQF-UHFFFAOYSA-N 1 2 374.916 3.029 20 30 FGEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000332561505 498726136 /nfs/dbraw/zinc/72/61/36/498726136.db2.gz WUPSJMNCSHEKSX-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000287529520 498786925 /nfs/dbraw/zinc/78/69/25/498786925.db2.gz NIALIHLCEOTRDL-UHFFFAOYSA-N 1 2 353.401 3.063 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1)C1CC1 ZINC000332945245 498844925 /nfs/dbraw/zinc/84/49/25/498844925.db2.gz NOOYWUVCTLMSNW-UZLBHIALSA-N 1 2 352.438 3.163 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1)C1CC1 ZINC000332945245 498844936 /nfs/dbraw/zinc/84/49/36/498844936.db2.gz NOOYWUVCTLMSNW-UZLBHIALSA-N 1 2 352.438 3.163 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601536 498871101 /nfs/dbraw/zinc/87/11/01/498871101.db2.gz FQELDZLOSVCBLR-UPJWGTAASA-N 1 2 374.407 3.132 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000328601536 498871106 /nfs/dbraw/zinc/87/11/06/498871106.db2.gz FQELDZLOSVCBLR-UPJWGTAASA-N 1 2 374.407 3.132 20 30 FGEDLO C[C@H]1CCN(C([O-])=[NH+]c2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000328730217 498918239 /nfs/dbraw/zinc/91/82/39/498918239.db2.gz FYVXVIJWJSMRPB-RDJZCZTQSA-N 1 2 350.426 3.197 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@@H]3O)n2)C1 ZINC000328763982 498929807 /nfs/dbraw/zinc/92/98/07/498929807.db2.gz ZTULECLJOZRFMG-YUELXQCFSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@@H]3O)n2)C1 ZINC000328763982 498929816 /nfs/dbraw/zinc/92/98/16/498929816.db2.gz ZTULECLJOZRFMG-YUELXQCFSA-N 1 2 352.504 3.004 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CCC2 ZINC000328825183 498950500 /nfs/dbraw/zinc/95/05/00/498950500.db2.gz PYMLGMKDGLNJJR-LSDHHAIUSA-N 1 2 370.428 3.218 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328837129 498956865 /nfs/dbraw/zinc/95/68/65/498956865.db2.gz MYOGQZIEDPHXFT-CQSZACIVSA-N 1 2 362.861 3.150 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCO[C@@H](C)C3)n2)C1 ZINC000328892746 498976993 /nfs/dbraw/zinc/97/69/93/498976993.db2.gz UMLNKYMJULXVGK-KBPBESRZSA-N 1 2 352.504 3.031 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCO[C@@H](C)C3)n2)C1 ZINC000328892746 498977000 /nfs/dbraw/zinc/97/70/00/498977000.db2.gz UMLNKYMJULXVGK-KBPBESRZSA-N 1 2 352.504 3.031 20 30 FGEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000328930784 498989996 /nfs/dbraw/zinc/98/99/96/498989996.db2.gz AVYIAJIDYLUFIC-LSDHHAIUSA-N 1 2 364.515 3.141 20 30 FGEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@@H]21 ZINC000328930784 498990003 /nfs/dbraw/zinc/99/00/03/498990003.db2.gz AVYIAJIDYLUFIC-LSDHHAIUSA-N 1 2 364.515 3.141 20 30 FGEDLO Cc1ccnc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000363796886 498997455 /nfs/dbraw/zinc/99/74/55/498997455.db2.gz SSSOCWYYQRVFTP-UHFFFAOYSA-N 1 2 369.856 3.128 20 30 FGEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1([NH+]2CCOCC2)CCC1 ZINC000328960036 499000060 /nfs/dbraw/zinc/00/00/60/499000060.db2.gz PHGUGASHFDVELR-WMZOPIPTSA-N 1 2 362.445 3.115 20 30 FGEDLO Cc1cc(NC(=O)[C@H]2CCc3nncn3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000328965429 499000919 /nfs/dbraw/zinc/00/09/19/499000919.db2.gz MIIROXOMKPWRBD-GJZGRUSLSA-N 1 2 354.458 3.211 20 30 FGEDLO Cc1cc(NC(=O)[C@@H]2CCc3nncn3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000328965431 499001573 /nfs/dbraw/zinc/00/15/73/499001573.db2.gz MIIROXOMKPWRBD-LSDHHAIUSA-N 1 2 354.458 3.211 20 30 FGEDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000328978076 499005073 /nfs/dbraw/zinc/00/50/73/499005073.db2.gz CDSILDUFYPVSRH-CYBMUJFWSA-N 1 2 374.876 3.163 20 30 FGEDLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000328978076 499005078 /nfs/dbraw/zinc/00/50/78/499005078.db2.gz CDSILDUFYPVSRH-CYBMUJFWSA-N 1 2 374.876 3.163 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329073781 499033455 /nfs/dbraw/zinc/03/34/55/499033455.db2.gz OYCFYYTUZZQZAL-YTQUADARSA-N 1 2 360.502 3.410 20 30 FGEDLO O=C(N[C@H]1CCOc2c(Cl)cccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329076730 499034463 /nfs/dbraw/zinc/03/44/63/499034463.db2.gz AYTFZVMMEGSQGI-HNNXBMFYSA-N 1 2 350.846 3.375 20 30 FGEDLO CCO[C@@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C12CCCCC2 ZINC000329087162 499038410 /nfs/dbraw/zinc/03/84/10/499038410.db2.gz HFICDBADJWZOFQ-IAGOWNOFSA-N 1 2 350.503 3.326 20 30 FGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329094930 499040166 /nfs/dbraw/zinc/04/01/66/499040166.db2.gz XUAJDLUNZDCUBA-JOCHJYFZSA-N 1 2 374.525 3.365 20 30 FGEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000329094930 499040173 /nfs/dbraw/zinc/04/01/73/499040173.db2.gz XUAJDLUNZDCUBA-JOCHJYFZSA-N 1 2 374.525 3.365 20 30 FGEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC12CCCCC2 ZINC000329097867 499040426 /nfs/dbraw/zinc/04/04/26/499040426.db2.gz CKVMFYFFEFKSFR-KRWDZBQOSA-N 1 2 364.511 3.049 20 30 FGEDLO COC1(C)CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329269073 499087541 /nfs/dbraw/zinc/08/75/41/499087541.db2.gz GSLKTQLJNIATJL-AWEZNQCLSA-N 1 2 366.531 3.421 20 30 FGEDLO COC1(C)CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000329269073 499087547 /nfs/dbraw/zinc/08/75/47/499087547.db2.gz GSLKTQLJNIATJL-AWEZNQCLSA-N 1 2 366.531 3.421 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)[C@@H]1CCCO1 ZINC000329267758 499087640 /nfs/dbraw/zinc/08/76/40/499087640.db2.gz GHUOFPKDMMFFPM-KRWDZBQOSA-N 1 2 368.437 3.197 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCOCC3)n2)C1 ZINC000329290138 499092122 /nfs/dbraw/zinc/09/21/22/499092122.db2.gz QMZKAWBNVICPNC-ZIAGYGMSSA-N 1 2 352.504 3.270 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCOCC3)n2)C1 ZINC000329290138 499092126 /nfs/dbraw/zinc/09/21/26/499092126.db2.gz QMZKAWBNVICPNC-ZIAGYGMSSA-N 1 2 352.504 3.270 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000366846370 499092936 /nfs/dbraw/zinc/09/29/36/499092936.db2.gz PEFBLTHAAVGENV-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000366846370 499092939 /nfs/dbraw/zinc/09/29/39/499092939.db2.gz PEFBLTHAAVGENV-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@]3(CCOC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329310891 499095939 /nfs/dbraw/zinc/09/59/39/499095939.db2.gz FZRNMQXNIZBEQK-JXFKEZNVSA-N 1 2 358.486 3.427 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1(C)C ZINC000295817390 499108144 /nfs/dbraw/zinc/10/81/44/499108144.db2.gz HKVBGOBXDOXSPV-KRWDZBQOSA-N 1 2 361.405 3.170 20 30 FGEDLO CSc1cc2c(cc1NC(=O)[C@@H](C)[NH+]1CCSCC1)OCCO2 ZINC000329376014 499111098 /nfs/dbraw/zinc/11/10/98/499111098.db2.gz LPHYQUNJQVHIQP-LLVKDONJSA-N 1 2 354.497 3.205 20 30 FGEDLO Cc1cc(NC(=O)C[NH+]2CCC(CN3CCc4ccccc43)CC2)on1 ZINC000329406968 499116469 /nfs/dbraw/zinc/11/64/69/499116469.db2.gz AYWBRCWJTASDID-UHFFFAOYSA-N 1 2 354.454 3.346 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCn4cncc4C3)n2)C1 ZINC000329414378 499117567 /nfs/dbraw/zinc/11/75/67/499117567.db2.gz CPCWWMJISKGXEP-KBPBESRZSA-N 1 2 359.499 3.422 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCn4cncc4C3)n2)C1 ZINC000329414378 499117570 /nfs/dbraw/zinc/11/75/70/499117570.db2.gz CPCWWMJISKGXEP-KBPBESRZSA-N 1 2 359.499 3.422 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)C1CCOCC1 ZINC000329422876 499119072 /nfs/dbraw/zinc/11/90/72/499119072.db2.gz FRCCVTBNKYIWMI-ZWKOTPCHSA-N 1 2 360.502 3.456 20 30 FGEDLO O=C(Nc1ccc(N2CCCCC2)nc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329429054 499120474 /nfs/dbraw/zinc/12/04/74/499120474.db2.gz HUDPSSLVQQYBFB-SFHVURJKSA-N 1 2 358.486 3.303 20 30 FGEDLO O=C(Nc1ccc(N2CCCCC2)nc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329429054 499120478 /nfs/dbraw/zinc/12/04/78/499120478.db2.gz HUDPSSLVQQYBFB-SFHVURJKSA-N 1 2 358.486 3.303 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CCCSC1)C2 ZINC000329467909 499125676 /nfs/dbraw/zinc/12/56/76/499125676.db2.gz WYZWWAOAUXLKBK-KBPBESRZSA-N 1 2 350.532 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CCCSC1)C2 ZINC000329467909 499125677 /nfs/dbraw/zinc/12/56/77/499125677.db2.gz WYZWWAOAUXLKBK-KBPBESRZSA-N 1 2 350.532 3.142 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369818372 499133352 /nfs/dbraw/zinc/13/33/52/499133352.db2.gz YHAGEFKEEUVGMI-RBUKOAKNSA-N 1 2 357.417 3.179 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369818370 499133516 /nfs/dbraw/zinc/13/35/16/499133516.db2.gz YHAGEFKEEUVGMI-MOPGFXCFSA-N 1 2 357.417 3.179 20 30 FGEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056704 499141176 /nfs/dbraw/zinc/14/11/76/499141176.db2.gz BANXMWXZSPFBMO-GOSISDBHSA-N 1 2 356.514 3.270 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000576335212 506133696 /nfs/dbraw/zinc/13/36/96/506133696.db2.gz HXRNVAPNACCFBK-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000576335212 506133699 /nfs/dbraw/zinc/13/36/99/506133699.db2.gz HXRNVAPNACCFBK-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO Cn1nccc1C1=CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000367211768 499162129 /nfs/dbraw/zinc/16/21/29/499162129.db2.gz NDBKEOJMBYRAIX-UHFFFAOYSA-N 1 2 373.460 3.260 20 30 FGEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000367211768 499162131 /nfs/dbraw/zinc/16/21/31/499162131.db2.gz NDBKEOJMBYRAIX-UHFFFAOYSA-N 1 2 373.460 3.260 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)c(F)c1 ZINC000367584468 499215039 /nfs/dbraw/zinc/21/50/39/499215039.db2.gz JUXCHOQOYGGBCL-UHFFFAOYSA-N 1 2 368.368 3.384 20 30 FGEDLO COc1ccnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1OC ZINC000367583882 499215104 /nfs/dbraw/zinc/21/51/04/499215104.db2.gz GGJLMYIFFZALOE-UHFFFAOYSA-N 1 2 371.412 3.153 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000370481955 499224764 /nfs/dbraw/zinc/22/47/64/499224764.db2.gz ALXGSBRMMSAYGD-FOIQADDNSA-N 1 2 353.372 3.470 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000370481955 499224765 /nfs/dbraw/zinc/22/47/65/499224765.db2.gz ALXGSBRMMSAYGD-FOIQADDNSA-N 1 2 353.372 3.470 20 30 FGEDLO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2C#N)n1 ZINC000367895685 499242561 /nfs/dbraw/zinc/24/25/61/499242561.db2.gz HZQMFSLUKXBNTH-QGZVFWFLSA-N 1 2 374.286 3.194 20 30 FGEDLO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc(Br)cc2C#N)n1 ZINC000367895685 499242562 /nfs/dbraw/zinc/24/25/62/499242562.db2.gz HZQMFSLUKXBNTH-QGZVFWFLSA-N 1 2 374.286 3.194 20 30 FGEDLO N#Cc1cc2c(nc1NC(=O)[C@H]1CCCN(c3cccc[nH+]3)C1)CCCC2 ZINC000368376151 499290233 /nfs/dbraw/zinc/29/02/33/499290233.db2.gz AYCQSEGPUZVSCF-INIZCTEOSA-N 1 2 361.449 3.082 20 30 FGEDLO C=CCc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OC ZINC000371254997 499302727 /nfs/dbraw/zinc/30/27/27/499302727.db2.gz CBAVNAANRVQDCC-INIZCTEOSA-N 1 2 369.465 3.245 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000368572289 499308985 /nfs/dbraw/zinc/30/89/85/499308985.db2.gz AZFLJBOSKUTIPC-GFCCVEGCSA-N 1 2 374.242 3.076 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371410933 499322752 /nfs/dbraw/zinc/32/27/52/499322752.db2.gz JCJWJVGQCMXMHX-LJQANCHMSA-N 1 2 356.433 3.430 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371410933 499322754 /nfs/dbraw/zinc/32/27/54/499322754.db2.gz JCJWJVGQCMXMHX-LJQANCHMSA-N 1 2 356.433 3.430 20 30 FGEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371633460 499349194 /nfs/dbraw/zinc/34/91/94/499349194.db2.gz BCUSEFXIQNHKEI-SIKLNZKXSA-N 1 2 362.477 3.329 20 30 FGEDLO C=CCc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc(OC)c1O ZINC000371679861 499354223 /nfs/dbraw/zinc/35/42/23/499354223.db2.gz UHSQJPYPYQBQDM-CQSZACIVSA-N 1 2 356.470 3.298 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123617 499367911 /nfs/dbraw/zinc/36/79/11/499367911.db2.gz DBTLDUWXYBBDNT-GCJKJVERSA-N 1 2 364.493 3.419 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369123617 499367912 /nfs/dbraw/zinc/36/79/12/499367912.db2.gz DBTLDUWXYBBDNT-GCJKJVERSA-N 1 2 364.493 3.419 20 30 FGEDLO Cc1cc(C=C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)no1 ZINC000372046487 499392505 /nfs/dbraw/zinc/39/25/05/499392505.db2.gz KYNXGEOHAQGREE-UHFFFAOYSA-N 1 2 356.470 3.147 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ncccc1OCCCC#N)C2 ZINC000372396697 499429053 /nfs/dbraw/zinc/42/90/53/499429053.db2.gz NWXXJIMIMPGCDP-CQSZACIVSA-N 1 2 367.453 3.354 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ncccc1OCCCC#N)CC2 ZINC000372396697 499429054 /nfs/dbraw/zinc/42/90/54/499429054.db2.gz NWXXJIMIMPGCDP-CQSZACIVSA-N 1 2 367.453 3.354 20 30 FGEDLO CN(C)c1noc(C2CC[NH+](Cc3ccc(F)c(C#N)c3Cl)CC2)n1 ZINC000373024301 499447891 /nfs/dbraw/zinc/44/78/91/499447891.db2.gz CIJNBQHAUCXXMW-UHFFFAOYSA-N 1 2 363.824 3.179 20 30 FGEDLO C=CCC[C@@H](C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000373525951 499475028 /nfs/dbraw/zinc/47/50/28/499475028.db2.gz GPRCMRVDTPTWDO-IFMALSPDSA-N 1 2 369.553 3.222 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(Cl)cccc3C#N)CC2)no1 ZINC000373643579 499481442 /nfs/dbraw/zinc/48/14/42/499481442.db2.gz IOJCXMHBHKPBDX-HNNXBMFYSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(Cl)cccc3C#N)CC2)no1 ZINC000373643579 499481443 /nfs/dbraw/zinc/48/14/43/499481443.db2.gz IOJCXMHBHKPBDX-HNNXBMFYSA-N 1 2 359.861 3.394 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373769201 499487122 /nfs/dbraw/zinc/48/71/22/499487122.db2.gz GSEIGBGFWINMNB-HOTGVXAUSA-N 1 2 364.852 3.217 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373769201 499487123 /nfs/dbraw/zinc/48/71/23/499487123.db2.gz GSEIGBGFWINMNB-HOTGVXAUSA-N 1 2 364.852 3.217 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378482494 499522745 /nfs/dbraw/zinc/52/27/45/499522745.db2.gz MKCDLRMIFNMSTH-HOCLYGCPSA-N 1 2 369.494 3.437 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1C ZINC000378488253 499523133 /nfs/dbraw/zinc/52/31/33/499523133.db2.gz NISHSUQUFLDMFI-GOSISDBHSA-N 1 2 351.454 3.110 20 30 FGEDLO CC[C@@](C)(C#N)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000375616212 499538106 /nfs/dbraw/zinc/53/81/06/499538106.db2.gz GECLOEHDDVYQFI-FQEVSTJZSA-N 1 2 357.502 3.276 20 30 FGEDLO C[C@@H]([NH2+]Cc1ncc(I)s1)c1ccc(C#N)cc1 ZINC000384978335 499547884 /nfs/dbraw/zinc/54/78/84/499547884.db2.gz MRLVHBBOHMSKRZ-SECBINFHSA-N 1 2 369.231 3.470 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377263798 499675228 /nfs/dbraw/zinc/67/52/28/499675228.db2.gz CXBFIRAMINULFS-WOJBJXKFSA-N 1 2 364.493 3.019 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411716443 499782364 /nfs/dbraw/zinc/78/23/64/499782364.db2.gz FZRFPVHLBTYTAG-IBGZPJMESA-N 1 2 358.413 3.095 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411716443 499782366 /nfs/dbraw/zinc/78/23/66/499782366.db2.gz FZRFPVHLBTYTAG-IBGZPJMESA-N 1 2 358.413 3.095 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000411878531 499799061 /nfs/dbraw/zinc/79/90/61/499799061.db2.gz WTKKMGRGZJIXIM-AWEZNQCLSA-N 1 2 358.467 3.139 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000599455743 506464196 /nfs/dbraw/zinc/46/41/96/506464196.db2.gz VWGOWYBDWOQHMC-INIZCTEOSA-N 1 2 352.221 3.499 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000599455743 506464204 /nfs/dbraw/zinc/46/42/04/506464204.db2.gz VWGOWYBDWOQHMC-INIZCTEOSA-N 1 2 352.221 3.499 20 30 FGEDLO Cc1cc(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc(C)[nH+]1 ZINC000421243319 500000148 /nfs/dbraw/zinc/00/01/48/500000148.db2.gz DINGDLQFHLCTMR-UHFFFAOYSA-N 1 2 370.478 3.184 20 30 FGEDLO Cc1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C#N)c[nH+]1 ZINC000425206535 500043911 /nfs/dbraw/zinc/04/39/11/500043911.db2.gz LCYGQQTUKXNYIV-UHFFFAOYSA-N 1 2 361.371 3.178 20 30 FGEDLO COc1cccc(OC)c1OC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425208821 500044119 /nfs/dbraw/zinc/04/41/19/500044119.db2.gz QCPLJJJIJDMKDH-UHFFFAOYSA-N 1 2 353.422 3.327 20 30 FGEDLO Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000425212206 500044718 /nfs/dbraw/zinc/04/47/18/500044718.db2.gz ZDLLMPSRGFYPKQ-UHFFFAOYSA-N 1 2 353.401 3.191 20 30 FGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1cn2ccccc2c1C#N ZINC000429400291 500070089 /nfs/dbraw/zinc/07/00/89/500070089.db2.gz YDYQMRIVGKPJDB-IYBDPMFKSA-N 1 2 352.482 3.278 20 30 FGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000429400291 500070092 /nfs/dbraw/zinc/07/00/92/500070092.db2.gz YDYQMRIVGKPJDB-IYBDPMFKSA-N 1 2 352.482 3.278 20 30 FGEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000425496673 500124235 /nfs/dbraw/zinc/12/42/35/500124235.db2.gz VMSWYMXYUYCGJQ-ZWKOTPCHSA-N 1 2 351.454 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000425524045 500132484 /nfs/dbraw/zinc/13/24/84/500132484.db2.gz BRWWPVHSJRFAIL-KXBFYZLASA-N 1 2 368.481 3.324 20 30 FGEDLO CCC(CC)n1nccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000431773741 500422890 /nfs/dbraw/zinc/42/28/90/500422890.db2.gz CBSZYFADSADPLU-UHFFFAOYSA-N 1 2 365.481 3.074 20 30 FGEDLO C=CCn1c(CC2CC2)nnc1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000579530984 506195594 /nfs/dbraw/zinc/19/55/94/506195594.db2.gz PTMFXBJEMDXSCW-UHFFFAOYSA-N 1 2 374.492 3.473 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000432112334 500471224 /nfs/dbraw/zinc/47/12/24/500471224.db2.gz YSNVMDGIENTFMX-HZPDHXFCSA-N 1 2 360.502 3.097 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)nn1 ZINC000424298428 500483574 /nfs/dbraw/zinc/48/35/74/500483574.db2.gz SHWJLAXDINXZLJ-HNNXBMFYSA-N 1 2 363.259 3.230 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432730672 500553317 /nfs/dbraw/zinc/55/33/17/500553317.db2.gz MCYAJSIUKNLRJE-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432730672 500553319 /nfs/dbraw/zinc/55/33/19/500553319.db2.gz MCYAJSIUKNLRJE-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1C1CC1 ZINC000428794327 500558245 /nfs/dbraw/zinc/55/82/45/500558245.db2.gz MXNIIVSYEFTLDW-SFHVURJKSA-N 1 2 364.449 3.043 20 30 FGEDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1C1CC1 ZINC000428794327 500558247 /nfs/dbraw/zinc/55/82/47/500558247.db2.gz MXNIIVSYEFTLDW-SFHVURJKSA-N 1 2 364.449 3.043 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)s1 ZINC000432917470 500590333 /nfs/dbraw/zinc/59/03/33/500590333.db2.gz PRDYHZUXFFYLEK-UHFFFAOYSA-N 1 2 367.478 3.491 20 30 FGEDLO C[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccc(C#N)c(F)c1 ZINC000437088918 500600765 /nfs/dbraw/zinc/60/07/65/500600765.db2.gz SMAJLFOYARIJTQ-ZDUSSCGKSA-N 1 2 353.376 3.327 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1C#N ZINC000442804842 500627943 /nfs/dbraw/zinc/62/79/43/500627943.db2.gz WVXVKTRMSPAKEZ-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437404243 500641031 /nfs/dbraw/zinc/64/10/31/500641031.db2.gz MXZAJRWFXWPHRX-QGZVFWFLSA-N 1 2 371.387 3.223 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437404243 500641033 /nfs/dbraw/zinc/64/10/33/500641033.db2.gz MXZAJRWFXWPHRX-QGZVFWFLSA-N 1 2 371.387 3.223 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(C(F)(F)F)s3)CC2)cc1 ZINC000447734639 500655305 /nfs/dbraw/zinc/65/53/05/500655305.db2.gz XSUZGPXRBGLILX-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccc(OC)c1 ZINC000443479692 500729062 /nfs/dbraw/zinc/72/90/62/500729062.db2.gz YKZBTYXWKDNZBL-UHFFFAOYSA-N 1 2 353.451 3.240 20 30 FGEDLO N#Cc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000443518751 500733594 /nfs/dbraw/zinc/73/35/94/500733594.db2.gz SXCBOLVOFFNCLG-UHFFFAOYSA-N 1 2 357.339 3.251 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661082 500751501 /nfs/dbraw/zinc/75/15/01/500751501.db2.gz SRFMOONDUPEXLK-BEFAXECRSA-N 1 2 363.889 3.238 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661082 500751503 /nfs/dbraw/zinc/75/15/03/500751503.db2.gz SRFMOONDUPEXLK-BEFAXECRSA-N 1 2 363.889 3.238 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)cc1 ZINC000438918605 500834980 /nfs/dbraw/zinc/83/49/80/500834980.db2.gz NTVSHRQRWBGBRC-VWNXMTODSA-N 1 2 371.484 3.107 20 30 FGEDLO Cn1cc(C[N@@H+]2CCOc3c(F)cccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000434625184 500868436 /nfs/dbraw/zinc/86/84/36/500868436.db2.gz ITRBQIDCGWDRCY-UHFFFAOYSA-N 1 2 362.408 3.492 20 30 FGEDLO Cn1cc(C[N@H+]2CCOc3c(F)cccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000434625184 500868440 /nfs/dbraw/zinc/86/84/40/500868440.db2.gz ITRBQIDCGWDRCY-UHFFFAOYSA-N 1 2 362.408 3.492 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580202 506221565 /nfs/dbraw/zinc/22/15/65/506221565.db2.gz SVHMJEZGQSTDFG-QWRGUYRKSA-N 1 2 369.437 3.139 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580202 506221568 /nfs/dbraw/zinc/22/15/68/506221568.db2.gz SVHMJEZGQSTDFG-QWRGUYRKSA-N 1 2 369.437 3.139 20 30 FGEDLO COc1ccc(-n2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cn2)cc1 ZINC000449040950 500909225 /nfs/dbraw/zinc/90/92/25/500909225.db2.gz KNOBMZALTSBELE-JOCHJYFZSA-N 1 2 374.444 3.326 20 30 FGEDLO COc1ccc(-n2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cn2)cc1 ZINC000449040950 500909228 /nfs/dbraw/zinc/90/92/28/500909228.db2.gz KNOBMZALTSBELE-JOCHJYFZSA-N 1 2 374.444 3.326 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000435043577 500926486 /nfs/dbraw/zinc/92/64/86/500926486.db2.gz BTMJRRSZIHWHPM-NRFANRHFSA-N 1 2 374.444 3.149 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(CCc3ccccc3)s2)C1=O ZINC000449303381 500971066 /nfs/dbraw/zinc/97/10/66/500971066.db2.gz LXDRWLJEKZYQLK-SFHVURJKSA-N 1 2 355.507 3.147 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C1=O ZINC000449303381 500971069 /nfs/dbraw/zinc/97/10/69/500971069.db2.gz LXDRWLJEKZYQLK-SFHVURJKSA-N 1 2 355.507 3.147 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000435444249 500978720 /nfs/dbraw/zinc/97/87/20/500978720.db2.gz RJQFXESGZDIAOE-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000435444249 500978725 /nfs/dbraw/zinc/97/87/25/500978725.db2.gz RJQFXESGZDIAOE-HOTGVXAUSA-N 1 2 360.882 3.110 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435719355 501016693 /nfs/dbraw/zinc/01/66/93/501016693.db2.gz LOQILZOUIBYVAZ-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435719355 501016697 /nfs/dbraw/zinc/01/66/97/501016697.db2.gz LOQILZOUIBYVAZ-UHFFFAOYSA-N 1 2 355.463 3.393 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435865754 501038973 /nfs/dbraw/zinc/03/89/73/501038973.db2.gz DEFHKHIPJWTCAY-UHFFFAOYSA-N 1 2 361.449 3.336 20 30 FGEDLO N#Cc1cc2cccnc2nc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000596057422 506231554 /nfs/dbraw/zinc/23/15/54/506231554.db2.gz PZZOQQGUFOVRED-MRXNPFEDSA-N 1 2 365.462 3.048 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000440999022 501073285 /nfs/dbraw/zinc/07/32/85/501073285.db2.gz OFOAVLJWZCEOIK-UHFFFAOYSA-N 1 2 374.916 3.497 20 30 FGEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1Cl ZINC000450334948 501094077 /nfs/dbraw/zinc/09/40/77/501094077.db2.gz VNVAIJHJEGWSGB-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO COCC[N@H+](Cc1cccs1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441260860 501110537 /nfs/dbraw/zinc/11/05/37/501110537.db2.gz MWHOBNBMKTUBMU-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO COCC[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441260860 501110539 /nfs/dbraw/zinc/11/05/39/501110539.db2.gz MWHOBNBMKTUBMU-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO N#Cc1cc(NC(=O)NCCNc2cccc[nH+]2)ccc1OC(F)(F)F ZINC000442058510 501194013 /nfs/dbraw/zinc/19/40/13/501194013.db2.gz OPFCLDBULMVPBL-UHFFFAOYSA-N 1 2 365.315 3.085 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000450216961 501212554 /nfs/dbraw/zinc/21/25/54/501212554.db2.gz RQDIXAUXLUEIBX-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO N#Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1F ZINC000450910118 501228366 /nfs/dbraw/zinc/22/83/66/501228366.db2.gz OZSMCPRMFPNOMK-UHFFFAOYSA-N 1 2 370.384 3.050 20 30 FGEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)nc2ccccc12 ZINC000450935110 501232629 /nfs/dbraw/zinc/23/26/29/501232629.db2.gz FCPKCTKCILIRGY-UHFFFAOYSA-N 1 2 362.433 3.038 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451025498 501240232 /nfs/dbraw/zinc/24/02/32/501240232.db2.gz JXIAICAGZPSBEY-QGZVFWFLSA-N 1 2 366.440 3.346 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451025498 501240233 /nfs/dbraw/zinc/24/02/33/501240233.db2.gz JXIAICAGZPSBEY-QGZVFWFLSA-N 1 2 366.440 3.346 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC000455495940 501318083 /nfs/dbraw/zinc/31/80/83/501318083.db2.gz OPXCMRWOBPCYRG-GOSISDBHSA-N 1 2 350.422 3.484 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451965264 501409840 /nfs/dbraw/zinc/40/98/40/501409840.db2.gz KLLNRPJWRASRJV-IBGZPJMESA-N 1 2 355.388 3.290 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451965264 501409841 /nfs/dbraw/zinc/40/98/41/501409841.db2.gz KLLNRPJWRASRJV-IBGZPJMESA-N 1 2 355.388 3.290 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458389558 501433994 /nfs/dbraw/zinc/43/39/94/501433994.db2.gz ZHHPTEHWFRMSLK-AWEZNQCLSA-N 1 2 364.440 3.120 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458389558 501433997 /nfs/dbraw/zinc/43/39/97/501433997.db2.gz ZHHPTEHWFRMSLK-AWEZNQCLSA-N 1 2 364.440 3.120 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000456111867 501457284 /nfs/dbraw/zinc/45/72/84/501457284.db2.gz LQNAXCBODZPLTN-SFHVURJKSA-N 1 2 371.481 3.317 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000456111867 501457285 /nfs/dbraw/zinc/45/72/85/501457285.db2.gz LQNAXCBODZPLTN-SFHVURJKSA-N 1 2 371.481 3.317 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458498981 501459778 /nfs/dbraw/zinc/45/97/78/501459778.db2.gz IGHVNZQXTDWYDX-JKSUJKDBSA-N 1 2 365.543 3.411 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458498981 501459781 /nfs/dbraw/zinc/45/97/81/501459781.db2.gz IGHVNZQXTDWYDX-JKSUJKDBSA-N 1 2 365.543 3.411 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456979786 501629272 /nfs/dbraw/zinc/62/92/72/501629272.db2.gz JNNKYPZUJNKTNQ-INIZCTEOSA-N 1 2 368.275 3.222 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000459345036 501636202 /nfs/dbraw/zinc/63/62/02/501636202.db2.gz ISBNPQUBUUIFOI-UHFFFAOYSA-N 1 2 370.453 3.127 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@H]3CCC[C@@H]3C#N)n2)cc1 ZINC000459462402 501658293 /nfs/dbraw/zinc/65/82/93/501658293.db2.gz JNXOIRRNRIDFLV-BJJXKVORSA-N 1 2 370.478 3.428 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)(COC)C2)cc1OC ZINC000459618809 501687911 /nfs/dbraw/zinc/68/79/11/501687911.db2.gz FYBFQUFANPIELH-UHFFFAOYSA-N 1 2 370.287 3.491 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459797411 501715171 /nfs/dbraw/zinc/71/51/71/501715171.db2.gz SAXSXEAAFJXHLN-ZIAGYGMSSA-N 1 2 357.483 3.104 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cscc2C#N)C[C@@H](C)O1 ZINC000460009840 501724833 /nfs/dbraw/zinc/72/48/33/501724833.db2.gz OMHJAXWSOLPIJO-ZIAGYGMSSA-N 1 2 355.463 3.481 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000463500690 501744537 /nfs/dbraw/zinc/74/45/37/501744537.db2.gz PGMJHFQWOBWCGP-UHFFFAOYSA-N 1 2 369.465 3.431 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000478171756 501899843 /nfs/dbraw/zinc/89/98/43/501899843.db2.gz IDZGIWYKRZULFA-UHFFFAOYSA-N 1 2 353.470 3.103 20 30 FGEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnc2ccccc12 ZINC000482088032 501970904 /nfs/dbraw/zinc/97/09/04/501970904.db2.gz HUTRWEKSOXYYGU-UHFFFAOYSA-N 1 2 370.456 3.373 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000464648938 502054382 /nfs/dbraw/zinc/05/43/82/502054382.db2.gz HBJMHLGCPLZAQD-INIZCTEOSA-N 1 2 350.890 3.465 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N4CC(C)(C#N)C4)cc3)[nH+]c12 ZINC000482643925 502136938 /nfs/dbraw/zinc/13/69/38/502136938.db2.gz BNEKETXOBXDDMU-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C#N ZINC000471805924 502141343 /nfs/dbraw/zinc/14/13/43/502141343.db2.gz VHJNRDCJRQOUQW-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000486435328 502153758 /nfs/dbraw/zinc/15/37/58/502153758.db2.gz QCPRQQNHNYKBOP-QGZVFWFLSA-N 1 2 359.416 3.491 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000486435328 502153760 /nfs/dbraw/zinc/15/37/60/502153760.db2.gz QCPRQQNHNYKBOP-QGZVFWFLSA-N 1 2 359.416 3.491 20 30 FGEDLO C[C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000461782021 502199179 /nfs/dbraw/zinc/19/91/79/502199179.db2.gz XRRHQJJPHQQHSE-QGZVFWFLSA-N 1 2 358.445 3.265 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C/C=C\c3cccc(F)c3)CC2)cc1 ZINC000486666256 502224689 /nfs/dbraw/zinc/22/46/89/502224689.db2.gz QWTHTVSXDSQQDW-RQOWECAXSA-N 1 2 363.436 3.445 20 30 FGEDLO N#CCCCCCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000588682058 506307062 /nfs/dbraw/zinc/30/70/62/506307062.db2.gz GQQOFKWOYZNRFM-UHFFFAOYSA-N 1 2 354.376 3.223 20 30 FGEDLO COCCN(C)c1ccc(CNc2cc(C#N)ccc2OC(C)C)c[nH+]1 ZINC000483309519 502347258 /nfs/dbraw/zinc/34/72/58/502347258.db2.gz SOSWGBCUPLAFNS-UHFFFAOYSA-N 1 2 354.454 3.435 20 30 FGEDLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000483416667 502383705 /nfs/dbraw/zinc/38/37/05/502383705.db2.gz KSRRWGLTCZJGEA-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000483416667 502383707 /nfs/dbraw/zinc/38/37/07/502383707.db2.gz KSRRWGLTCZJGEA-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO OCC[N@H+](CC#Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000483595211 502439431 /nfs/dbraw/zinc/43/94/31/502439431.db2.gz SDFKDNBZLKJWKM-UHFFFAOYSA-N 1 2 362.242 3.434 20 30 FGEDLO OCC[N@@H+](CC#Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000483595211 502439437 /nfs/dbraw/zinc/43/94/37/502439437.db2.gz SDFKDNBZLKJWKM-UHFFFAOYSA-N 1 2 362.242 3.434 20 30 FGEDLO COc1cccc(C=C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000472929140 502474921 /nfs/dbraw/zinc/47/49/21/502474921.db2.gz HWVXFKGMMNOSDT-OAQYLSRUSA-N 1 2 355.482 3.229 20 30 FGEDLO C=CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583650 502485020 /nfs/dbraw/zinc/48/50/20/502485020.db2.gz MMNCMDUQGKOWLF-FCHUYYIVSA-N 1 2 364.489 3.364 20 30 FGEDLO C=CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487583650 502485024 /nfs/dbraw/zinc/48/50/24/502485024.db2.gz MMNCMDUQGKOWLF-FCHUYYIVSA-N 1 2 364.489 3.364 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000476453068 502492876 /nfs/dbraw/zinc/49/28/76/502492876.db2.gz QONNMHVWVAYBOB-UHFFFAOYSA-N 1 2 352.344 3.084 20 30 FGEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000602828590 506317384 /nfs/dbraw/zinc/31/73/84/506317384.db2.gz OKRNUKYCVJXLDK-GFCCVEGCSA-N 1 2 373.384 3.076 20 30 FGEDLO Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)c(Br)c(C)[nH+]1 ZINC000596225180 506318789 /nfs/dbraw/zinc/31/87/89/506318789.db2.gz BYBPBDODFMNJEL-UHFFFAOYSA-N 1 2 372.270 3.313 20 30 FGEDLO CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C#N ZINC000602836981 506320423 /nfs/dbraw/zinc/32/04/23/506320423.db2.gz RKBLDGUXXSXLQP-NVXWUHKLSA-N 1 2 353.426 3.118 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1C#N ZINC000487899450 502560032 /nfs/dbraw/zinc/56/00/32/502560032.db2.gz SGHZQDGJTUDWDO-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000466495287 502586847 /nfs/dbraw/zinc/58/68/47/502586847.db2.gz CBMRHUNEGZCLLM-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000480688382 502644073 /nfs/dbraw/zinc/64/40/73/502644073.db2.gz ZWRVAOTYUVVNRN-OAQYLSRUSA-N 1 2 373.500 3.398 20 30 FGEDLO CC(C)(NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000596252591 506329885 /nfs/dbraw/zinc/32/98/85/506329885.db2.gz NZIIJLZKUILLAK-UHFFFAOYSA-N 1 2 365.359 3.052 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267236 502724586 /nfs/dbraw/zinc/72/45/86/502724586.db2.gz QZMZJUHICYOSEO-CZUORRHYSA-N 1 2 366.868 3.245 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267236 502724589 /nfs/dbraw/zinc/72/45/89/502724589.db2.gz QZMZJUHICYOSEO-CZUORRHYSA-N 1 2 366.868 3.245 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602891849 506339054 /nfs/dbraw/zinc/33/90/54/506339054.db2.gz JUOYSVMAYXVSQF-INIZCTEOSA-N 1 2 360.259 3.139 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602891849 506339057 /nfs/dbraw/zinc/33/90/57/506339057.db2.gz JUOYSVMAYXVSQF-INIZCTEOSA-N 1 2 360.259 3.139 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376698 502918402 /nfs/dbraw/zinc/91/84/02/502918402.db2.gz PBXJXHYDMKJSFC-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667817 502996014 /nfs/dbraw/zinc/99/60/14/502996014.db2.gz WPIFILDKTVQDNH-HTAPYJJXSA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1ccc(C)c(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513667817 502996018 /nfs/dbraw/zinc/99/60/18/502996018.db2.gz WPIFILDKTVQDNH-HTAPYJJXSA-N 1 2 361.445 3.028 20 30 FGEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(F)c1)Cc1ccccc1Cl ZINC000510088565 503047043 /nfs/dbraw/zinc/04/70/43/503047043.db2.gz KZIMKQMISPBMSR-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(F)c1)Cc1ccccc1Cl ZINC000510088565 503047047 /nfs/dbraw/zinc/04/70/47/503047047.db2.gz KZIMKQMISPBMSR-UHFFFAOYSA-N 1 2 358.844 3.469 20 30 FGEDLO N#Cc1cnc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000513993451 503063007 /nfs/dbraw/zinc/06/30/07/503063007.db2.gz BHBYRLHEYFPYBN-HNNXBMFYSA-N 1 2 361.232 3.047 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)nc1 ZINC000602912690 506349784 /nfs/dbraw/zinc/34/97/84/506349784.db2.gz PNJVNPDUTILOFV-UHFFFAOYSA-N 1 2 356.376 3.050 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506663165 503151766 /nfs/dbraw/zinc/15/17/66/503151766.db2.gz PVOJOSZUFPBQLJ-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)C1 ZINC000514784372 503191700 /nfs/dbraw/zinc/19/17/00/503191700.db2.gz LAGATIKRHCTGCW-YJLNNSPDSA-N 1 2 363.465 3.045 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)C1 ZINC000514784372 503191706 /nfs/dbraw/zinc/19/17/06/503191706.db2.gz LAGATIKRHCTGCW-YJLNNSPDSA-N 1 2 363.465 3.045 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)C1 ZINC000514784370 503192235 /nfs/dbraw/zinc/19/22/35/503192235.db2.gz LAGATIKRHCTGCW-POZUXBRTSA-N 1 2 363.465 3.045 20 30 FGEDLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)C1 ZINC000514784370 503192238 /nfs/dbraw/zinc/19/22/38/503192238.db2.gz LAGATIKRHCTGCW-POZUXBRTSA-N 1 2 363.465 3.045 20 30 FGEDLO C=CCOc1cccc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000502522788 503217024 /nfs/dbraw/zinc/21/70/24/503217024.db2.gz WKUHZCUTWVHOBU-UHFFFAOYSA-N 1 2 362.433 3.455 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502534303 503219912 /nfs/dbraw/zinc/21/99/12/503219912.db2.gz MFTJGGMELLDNCP-LJQANCHMSA-N 1 2 374.469 3.386 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502534303 503219915 /nfs/dbraw/zinc/21/99/15/503219915.db2.gz MFTJGGMELLDNCP-LJQANCHMSA-N 1 2 374.469 3.386 20 30 FGEDLO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(C#N)cc1F ZINC000502599482 503236358 /nfs/dbraw/zinc/23/63/58/503236358.db2.gz KKHDRIBCCOWPSJ-LLVKDONJSA-N 1 2 350.390 3.091 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593053959 506361825 /nfs/dbraw/zinc/36/18/25/506361825.db2.gz DENXBHXDTPFCMM-NSHDSACASA-N 1 2 355.335 3.252 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000491422554 503305113 /nfs/dbraw/zinc/30/51/13/503305113.db2.gz IGGRLAPUHJPZQA-UHFFFAOYSA-N 1 2 372.450 3.369 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000491422554 503305115 /nfs/dbraw/zinc/30/51/15/503305115.db2.gz IGGRLAPUHJPZQA-UHFFFAOYSA-N 1 2 372.450 3.369 20 30 FGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593057568 506365049 /nfs/dbraw/zinc/36/50/49/506365049.db2.gz FVELRENJMFHKEO-MOPGFXCFSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593057568 506365055 /nfs/dbraw/zinc/36/50/55/506365055.db2.gz FVELRENJMFHKEO-MOPGFXCFSA-N 1 2 357.498 3.440 20 30 FGEDLO C[C@H](NC(=O)NCC#Cc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000511572186 503345652 /nfs/dbraw/zinc/34/56/52/503345652.db2.gz JMLGLKLTHXOUNX-INIZCTEOSA-N 1 2 362.408 3.423 20 30 FGEDLO CC(C)Oc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000515487498 503348983 /nfs/dbraw/zinc/34/89/83/503348983.db2.gz JLKCYPHLWLRYAF-LJQANCHMSA-N 1 2 372.494 3.171 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000499345694 503385055 /nfs/dbraw/zinc/38/50/55/503385055.db2.gz UZFFENGREFYBLU-UHFFFAOYSA-N 1 2 370.456 3.367 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000499345694 503385059 /nfs/dbraw/zinc/38/50/59/503385059.db2.gz UZFFENGREFYBLU-UHFFFAOYSA-N 1 2 370.456 3.367 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602974403 506370635 /nfs/dbraw/zinc/37/06/35/506370635.db2.gz NWSXRYPPTQUUOF-ICSRJNTNSA-N 1 2 351.450 3.432 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602974403 506370639 /nfs/dbraw/zinc/37/06/39/506370639.db2.gz NWSXRYPPTQUUOF-ICSRJNTNSA-N 1 2 351.450 3.432 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000503626003 503447876 /nfs/dbraw/zinc/44/78/76/503447876.db2.gz HXJIMZQFDRDDDQ-MRXNPFEDSA-N 1 2 366.440 3.286 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000512182315 503479602 /nfs/dbraw/zinc/47/96/02/503479602.db2.gz RJPSZEZDRHLQNB-INIZCTEOSA-N 1 2 374.456 3.336 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000512182315 503479604 /nfs/dbraw/zinc/47/96/04/503479604.db2.gz RJPSZEZDRHLQNB-INIZCTEOSA-N 1 2 374.456 3.336 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000512200525 503484268 /nfs/dbraw/zinc/48/42/68/503484268.db2.gz GHHLSWRUGGTPFH-HNNXBMFYSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000512200525 503484271 /nfs/dbraw/zinc/48/42/71/503484271.db2.gz GHHLSWRUGGTPFH-HNNXBMFYSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000512219119 503489502 /nfs/dbraw/zinc/48/95/02/503489502.db2.gz NNILDVHMPPLXFS-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000512219119 503489505 /nfs/dbraw/zinc/48/95/05/503489505.db2.gz NNILDVHMPPLXFS-CQSZACIVSA-N 1 2 373.409 3.085 20 30 FGEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccccc1C#N ZINC000499938409 503515333 /nfs/dbraw/zinc/51/53/33/503515333.db2.gz JQJDUCKWOFPOCW-ZBEGNZNMSA-N 1 2 361.804 3.001 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943878 503518126 /nfs/dbraw/zinc/51/81/26/503518126.db2.gz HZGAGYXJNXUDMB-SMDDNHRTSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O ZINC000499943878 503518130 /nfs/dbraw/zinc/51/81/30/503518130.db2.gz HZGAGYXJNXUDMB-SMDDNHRTSA-N 1 2 370.280 3.039 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000504098584 503522495 /nfs/dbraw/zinc/52/24/95/503522495.db2.gz ZXYQUOGUKBYOJV-IBGZPJMESA-N 1 2 354.410 3.072 20 30 FGEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000504098585 503522647 /nfs/dbraw/zinc/52/26/47/503522647.db2.gz ZXYQUOGUKBYOJV-LJQANCHMSA-N 1 2 354.410 3.072 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000516697451 503572191 /nfs/dbraw/zinc/57/21/91/503572191.db2.gz PUVQPWHXSAVMDS-LJQANCHMSA-N 1 2 355.388 3.242 20 30 FGEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccccc1F ZINC000532930955 503660026 /nfs/dbraw/zinc/66/00/26/503660026.db2.gz KYYUQEANFWCSOQ-UHFFFAOYSA-N 1 2 371.412 3.171 20 30 FGEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccccc1F ZINC000532930955 503660033 /nfs/dbraw/zinc/66/00/33/503660033.db2.gz KYYUQEANFWCSOQ-UHFFFAOYSA-N 1 2 371.412 3.171 20 30 FGEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000532963361 503677807 /nfs/dbraw/zinc/67/78/07/503677807.db2.gz IERNAUCIHXIYLI-UHFFFAOYSA-N 1 2 368.433 3.141 20 30 FGEDLO CC[N@H+](CC(=O)OC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000532963361 503677802 /nfs/dbraw/zinc/67/78/02/503677802.db2.gz IERNAUCIHXIYLI-UHFFFAOYSA-N 1 2 368.433 3.141 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4c(Cl)cccc4C3)C2=O)cc1 ZINC000532966681 503678808 /nfs/dbraw/zinc/67/88/08/503678808.db2.gz KMRROJKAMSYZGH-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4c(Cl)cccc4C3)C2=O)cc1 ZINC000532966681 503678812 /nfs/dbraw/zinc/67/88/12/503678812.db2.gz KMRROJKAMSYZGH-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000540488090 503788229 /nfs/dbraw/zinc/78/82/29/503788229.db2.gz KIWHVJBUSASELU-AZUAARDMSA-N 1 2 359.514 3.412 20 30 FGEDLO COc1cccc2c1CN(C[N@H+]1CC=C(c3ccc(C#N)cc3)CC1)C2=O ZINC000530094815 503833243 /nfs/dbraw/zinc/83/32/43/503833243.db2.gz LACPMJWLPFMPAQ-UHFFFAOYSA-N 1 2 359.429 3.269 20 30 FGEDLO COc1cccc2c1CN(C[N@@H+]1CC=C(c3ccc(C#N)cc3)CC1)C2=O ZINC000530094815 503833250 /nfs/dbraw/zinc/83/32/50/503833250.db2.gz LACPMJWLPFMPAQ-UHFFFAOYSA-N 1 2 359.429 3.269 20 30 FGEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)o1 ZINC000527576912 503839797 /nfs/dbraw/zinc/83/97/97/503839797.db2.gz HGAIUYYGNNVULW-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO N#Cc1ccccc1OCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000546983250 503947701 /nfs/dbraw/zinc/94/77/01/503947701.db2.gz OULDMUXKWUXGHF-UHFFFAOYSA-N 1 2 357.373 3.432 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561294 503953656 /nfs/dbraw/zinc/95/36/56/503953656.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 1 2 373.545 3.456 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561294 503953660 /nfs/dbraw/zinc/95/36/60/503953660.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 1 2 373.545 3.456 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620027 503978119 /nfs/dbraw/zinc/97/81/19/503978119.db2.gz NXAQYUVSUBGDAK-MJGOQNOKSA-N 1 2 366.465 3.150 20 30 FGEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620027 503978125 /nfs/dbraw/zinc/97/81/25/503978125.db2.gz NXAQYUVSUBGDAK-MJGOQNOKSA-N 1 2 366.465 3.150 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CSCc3ccc(C#N)cc3)n2)C1 ZINC000547236987 504030222 /nfs/dbraw/zinc/03/02/22/504030222.db2.gz KRFHERMYFMYSOS-INIZCTEOSA-N 1 2 358.467 3.156 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CSCc3ccc(C#N)cc3)n2)C1 ZINC000547236987 504030225 /nfs/dbraw/zinc/03/02/25/504030225.db2.gz KRFHERMYFMYSOS-INIZCTEOSA-N 1 2 358.467 3.156 20 30 FGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1[C@H]1COc2ccccc2O1 ZINC000530757279 504077591 /nfs/dbraw/zinc/07/75/91/504077591.db2.gz UGMLBOXCVIYHIV-MRXNPFEDSA-N 1 2 369.450 3.002 20 30 FGEDLO COC(=O)c1oc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000538095419 504131811 /nfs/dbraw/zinc/13/18/11/504131811.db2.gz ORUKOWYZQSPQHQ-MRXNPFEDSA-N 1 2 367.449 3.125 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000538095419 504131816 /nfs/dbraw/zinc/13/18/16/504131816.db2.gz ORUKOWYZQSPQHQ-MRXNPFEDSA-N 1 2 367.449 3.125 20 30 FGEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000534545124 504170295 /nfs/dbraw/zinc/17/02/95/504170295.db2.gz NJFBWSNONHKBPA-MRXNPFEDSA-N 1 2 365.905 3.321 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000531415475 504299314 /nfs/dbraw/zinc/29/93/14/504299314.db2.gz QWEMYSTWYPOIEU-UHFFFAOYSA-N 1 2 362.458 3.235 20 30 FGEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000528673635 504324766 /nfs/dbraw/zinc/32/47/66/504324766.db2.gz VDDDJRGYTTZKLS-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528839202 504408215 /nfs/dbraw/zinc/40/82/15/504408215.db2.gz FNTJYYBNDISCRX-QGZVFWFLSA-N 1 2 354.841 3.404 20 30 FGEDLO N#CCc1ccnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000528839202 504408218 /nfs/dbraw/zinc/40/82/18/504408218.db2.gz FNTJYYBNDISCRX-QGZVFWFLSA-N 1 2 354.841 3.404 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](CO)c3ccc(Cl)cc3)o2)c1 ZINC000520274640 504452527 /nfs/dbraw/zinc/45/25/27/504452527.db2.gz OQRDDJGNIJSLJX-INIZCTEOSA-N 1 2 354.797 3.085 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(COC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539383689 504549092 /nfs/dbraw/zinc/54/90/92/504549092.db2.gz VYQACBHJGLOIAX-AWEZNQCLSA-N 1 2 370.482 3.014 20 30 FGEDLO C=CC[N@H+](Cc1ncc(COC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539383689 504549099 /nfs/dbraw/zinc/54/90/99/504549099.db2.gz VYQACBHJGLOIAX-AWEZNQCLSA-N 1 2 370.482 3.014 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000542620987 504556358 /nfs/dbraw/zinc/55/63/58/504556358.db2.gz OKQQSXDOUZSGIY-HNNXBMFYSA-N 1 2 356.470 3.374 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000529215000 504587833 /nfs/dbraw/zinc/58/78/33/504587833.db2.gz BMZYSQIFSGGPJK-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848934 504596553 /nfs/dbraw/zinc/59/65/53/504596553.db2.gz AARZFGZTUNFTDJ-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848934 504596561 /nfs/dbraw/zinc/59/65/61/504596561.db2.gz AARZFGZTUNFTDJ-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000520848934 504596568 /nfs/dbraw/zinc/59/65/68/504596568.db2.gz AARZFGZTUNFTDJ-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO Cc1cccc(-c2noc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)n2)c1 ZINC000548865653 504597339 /nfs/dbraw/zinc/59/73/39/504597339.db2.gz XQIXABBQQWWGQI-UHFFFAOYSA-N 1 2 359.433 3.497 20 30 FGEDLO Cc1cccc2[nH+]cc(CN3CCN(c4ccc(C#N)cc4Cl)CC3)n21 ZINC000521183584 504672005 /nfs/dbraw/zinc/67/20/05/504672005.db2.gz NHXLGIOBQHGJAR-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO Cc1cccc2ncc(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)n21 ZINC000521183584 504672012 /nfs/dbraw/zinc/67/20/12/504672012.db2.gz NHXLGIOBQHGJAR-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000556366344 504855877 /nfs/dbraw/zinc/85/58/77/504855877.db2.gz GUZRKZFPNIXHBU-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000553280369 504871787 /nfs/dbraw/zinc/87/17/87/504871787.db2.gz BFGWMNQQXICODJ-UHFFFAOYSA-N 1 2 364.405 3.152 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000553641801 504970821 /nfs/dbraw/zinc/97/08/21/504970821.db2.gz IZLBZSRAIGLZFJ-UHFFFAOYSA-N 1 2 359.433 3.343 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000563038829 505029129 /nfs/dbraw/zinc/02/91/29/505029129.db2.gz PJZYQIGZYPOREX-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000553887411 505032716 /nfs/dbraw/zinc/03/27/16/505032716.db2.gz VINGLGCGNIYMAP-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1C#N ZINC000553942319 505048746 /nfs/dbraw/zinc/04/87/46/505048746.db2.gz DRUDXCQRZKZZCM-GOSISDBHSA-N 1 2 358.825 3.212 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000560337708 505049942 /nfs/dbraw/zinc/04/99/42/505049942.db2.gz CPSYCCUUCBCQAI-CQSZACIVSA-N 1 2 350.447 3.445 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000560444034 505087237 /nfs/dbraw/zinc/08/72/37/505087237.db2.gz QGEDLWTWCCLBEF-UHFFFAOYSA-N 1 2 358.445 3.459 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000563375209 505125658 /nfs/dbraw/zinc/12/56/58/505125658.db2.gz CNAMMADDJLKMBN-QWHCGFSZSA-N 1 2 370.762 3.491 20 30 FGEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000554308379 505141834 /nfs/dbraw/zinc/14/18/34/505141834.db2.gz WPGNPGPOBIXGDL-LJQANCHMSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000554308379 505141837 /nfs/dbraw/zinc/14/18/37/505141837.db2.gz WPGNPGPOBIXGDL-LJQANCHMSA-N 1 2 372.490 3.424 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000554746297 505255760 /nfs/dbraw/zinc/25/57/60/505255760.db2.gz XAYFPKRZECXSOP-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nccn1Cc1ccccc1 ZINC000554746297 505255763 /nfs/dbraw/zinc/25/57/63/505255763.db2.gz XAYFPKRZECXSOP-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO COC(=O)c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)c(C#N)n1 ZINC000554800388 505267719 /nfs/dbraw/zinc/26/77/19/505267719.db2.gz SAIICSCIAQIGRF-UHFFFAOYSA-N 1 2 365.437 3.127 20 30 FGEDLO N#CC1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000563929909 505279172 /nfs/dbraw/zinc/27/91/72/505279172.db2.gz MMWCIXOFUJOOJL-OAHLLOKOSA-N 1 2 364.852 3.219 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](CCO)c3ccc(Cl)cc3)o2)c1 ZINC000558144640 505319247 /nfs/dbraw/zinc/31/92/47/505319247.db2.gz JYNYCNHYMMLLJD-QGZVFWFLSA-N 1 2 368.824 3.475 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000564157910 505340994 /nfs/dbraw/zinc/34/09/94/505340994.db2.gz UGIHFXCYFHZGIP-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000564157910 505340997 /nfs/dbraw/zinc/34/09/97/505340997.db2.gz UGIHFXCYFHZGIP-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555289088 505399823 /nfs/dbraw/zinc/39/98/23/505399823.db2.gz IZHKPRIMKITZLN-QGZVFWFLSA-N 1 2 354.502 3.085 20 30 FGEDLO CC1(C)CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@](C)(C(F)(F)F)O1 ZINC000552111064 505403653 /nfs/dbraw/zinc/40/36/53/505403653.db2.gz OCGODTKAJJKGQS-MRXNPFEDSA-N 1 2 352.360 3.138 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555605604 505471634 /nfs/dbraw/zinc/47/16/34/505471634.db2.gz FEJCBRWIDINYKR-KRWDZBQOSA-N 1 2 372.387 3.377 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555605604 505471638 /nfs/dbraw/zinc/47/16/38/505471638.db2.gz FEJCBRWIDINYKR-KRWDZBQOSA-N 1 2 372.387 3.377 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989769 505565964 /nfs/dbraw/zinc/56/59/64/505565964.db2.gz ZUMKZBMEJOIEMT-IBGZPJMESA-N 1 2 371.448 3.215 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989769 505565965 /nfs/dbraw/zinc/56/59/65/505565965.db2.gz ZUMKZBMEJOIEMT-IBGZPJMESA-N 1 2 371.448 3.215 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2(CCC2)CO1 ZINC000593090673 506386069 /nfs/dbraw/zinc/38/60/69/506386069.db2.gz CJIGVGNFASMYQY-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2(CCC2)CO1 ZINC000593090673 506386076 /nfs/dbraw/zinc/38/60/76/506386076.db2.gz CJIGVGNFASMYQY-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO CN(C)c1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)[nH+]cc1Br ZINC000603029694 506388112 /nfs/dbraw/zinc/38/81/12/506388112.db2.gz NMJXEOPFOPKXFW-CMPLNLGQSA-N 1 2 366.263 3.066 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000603033396 506389863 /nfs/dbraw/zinc/38/98/63/506389863.db2.gz NNNCQOOPHZDDQD-UHFFFAOYSA-N 1 2 367.478 3.137 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000596580108 506470136 /nfs/dbraw/zinc/47/01/36/506470136.db2.gz LBOQVSJLPYNBJT-OAHLLOKOSA-N 1 2 360.889 3.033 20 30 FGEDLO N#CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000596580108 506470141 /nfs/dbraw/zinc/47/01/41/506470141.db2.gz LBOQVSJLPYNBJT-OAHLLOKOSA-N 1 2 360.889 3.033 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195963 506479785 /nfs/dbraw/zinc/47/97/85/506479785.db2.gz QEFUTLDRQQNVNG-ZWKOTPCHSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195963 506479791 /nfs/dbraw/zinc/47/97/91/506479791.db2.gz QEFUTLDRQQNVNG-ZWKOTPCHSA-N 1 2 355.825 3.092 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3ccc(C#N)cc3)n2)O1 ZINC000596614794 506490524 /nfs/dbraw/zinc/49/05/24/506490524.db2.gz YXJSVEHHVKDQAK-UZLBHIALSA-N 1 2 374.444 3.494 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3ccc(C#N)cc3)n2)O1 ZINC000596614794 506490531 /nfs/dbraw/zinc/49/05/31/506490531.db2.gz YXJSVEHHVKDQAK-UZLBHIALSA-N 1 2 374.444 3.494 20 30 FGEDLO COC(=O)c1cnc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)s1 ZINC000599556033 506499075 /nfs/dbraw/zinc/49/90/75/506499075.db2.gz CFAMIISXXPZWHK-UHFFFAOYSA-N 1 2 359.426 3.320 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cn2)cc1 ZINC000589321924 506516382 /nfs/dbraw/zinc/51/63/82/506516382.db2.gz MYIQNTJKLDMYET-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cn2)cc1 ZINC000589321924 506516391 /nfs/dbraw/zinc/51/63/91/506516391.db2.gz MYIQNTJKLDMYET-AWEZNQCLSA-N 1 2 374.404 3.148 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N ZINC000599590084 506517871 /nfs/dbraw/zinc/51/78/71/506517871.db2.gz OSPXJMQXEFTWQU-ZBFHGGJFSA-N 1 2 372.465 3.145 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c1C#N ZINC000599590084 506517877 /nfs/dbraw/zinc/51/78/77/506517877.db2.gz OSPXJMQXEFTWQU-ZBFHGGJFSA-N 1 2 372.465 3.145 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597301 506520844 /nfs/dbraw/zinc/52/08/44/506520844.db2.gz RWOATWNVWNUFQA-VYDXJSESSA-N 1 2 371.481 3.185 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599597301 506520852 /nfs/dbraw/zinc/52/08/52/506520852.db2.gz RWOATWNVWNUFQA-VYDXJSESSA-N 1 2 371.481 3.185 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1C#N ZINC000599600568 506524380 /nfs/dbraw/zinc/52/43/80/506524380.db2.gz MZFVVASFYJNKCF-ZDUSSCGKSA-N 1 2 354.406 3.213 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1C#N ZINC000612347479 506539024 /nfs/dbraw/zinc/53/90/24/506539024.db2.gz ZJJJAGOMVNMJMQ-UHFFFAOYSA-N 1 2 353.451 3.266 20 30 FGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679437 506574262 /nfs/dbraw/zinc/57/42/62/506574262.db2.gz ZZLCANSLIUGCOX-HNNXBMFYSA-N 1 2 354.475 3.275 20 30 FGEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679437 506574266 /nfs/dbraw/zinc/57/42/66/506574266.db2.gz ZZLCANSLIUGCOX-HNNXBMFYSA-N 1 2 354.475 3.275 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(C#N)CCCC1 ZINC000593428336 506614782 /nfs/dbraw/zinc/61/47/82/506614782.db2.gz ZTSXRVJAEYULAP-UHFFFAOYSA-N 1 2 369.513 3.413 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000603868055 506642057 /nfs/dbraw/zinc/64/20/57/506642057.db2.gz JYEWIKNWCUJUNN-UHFFFAOYSA-N 1 2 363.461 3.445 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOc3ccccc3C2)c1 ZINC000603868055 506642067 /nfs/dbraw/zinc/64/20/67/506642067.db2.gz JYEWIKNWCUJUNN-UHFFFAOYSA-N 1 2 363.461 3.445 20 30 FGEDLO Cc1ccc([C@@H](CNC(=O)CC2(C#N)CCCCC2)[NH+]2CCOCC2)cc1 ZINC000596865716 506644567 /nfs/dbraw/zinc/64/45/67/506644567.db2.gz GAZAEDYQFPTXQJ-HXUWFJFHSA-N 1 2 369.509 3.349 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CC2 ZINC000599899791 506702862 /nfs/dbraw/zinc/70/28/62/506702862.db2.gz JHQNLRTYLPUVLE-NSHDSACASA-N 1 2 364.327 3.163 20 30 FGEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000593628579 506709127 /nfs/dbraw/zinc/70/91/27/506709127.db2.gz CEQOWUMESVTDOQ-UHFFFAOYSA-N 1 2 372.476 3.078 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596985802 506713511 /nfs/dbraw/zinc/71/35/11/506713511.db2.gz KXNJJRIBIYLWHW-UHFFFAOYSA-N 1 2 350.466 3.164 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276126 506771838 /nfs/dbraw/zinc/77/18/38/506771838.db2.gz GBSZTPDUSLYUKN-UTUOFQBUSA-N 1 2 373.341 3.057 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276126 506771843 /nfs/dbraw/zinc/77/18/43/506771843.db2.gz GBSZTPDUSLYUKN-UTUOFQBUSA-N 1 2 373.341 3.057 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593950823 506845296 /nfs/dbraw/zinc/84/52/96/506845296.db2.gz AIPVLTFNWBMUAM-UHFFFAOYSA-N 1 2 362.355 3.478 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593950823 506845301 /nfs/dbraw/zinc/84/53/01/506845301.db2.gz AIPVLTFNWBMUAM-UHFFFAOYSA-N 1 2 362.355 3.478 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000583613242 506877000 /nfs/dbraw/zinc/87/70/00/506877000.db2.gz KZAFWPNGWNELJT-OAHLLOKOSA-N 1 2 357.504 3.442 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000583613242 506877008 /nfs/dbraw/zinc/87/70/08/506877008.db2.gz KZAFWPNGWNELJT-OAHLLOKOSA-N 1 2 357.504 3.442 20 30 FGEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609486724 506896697 /nfs/dbraw/zinc/89/66/97/506896697.db2.gz PVOXLVIBYPTFPG-JBACZVJFSA-N 1 2 370.541 3.198 20 30 FGEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000609576820 506929294 /nfs/dbraw/zinc/92/92/94/506929294.db2.gz AQFDOVIZDODZFG-HXUWFJFHSA-N 1 2 364.449 3.180 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000590735224 506929843 /nfs/dbraw/zinc/92/98/43/506929843.db2.gz QAKYPKWPWBKURY-QGZVFWFLSA-N 1 2 355.438 3.106 20 30 FGEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC000590754978 506939659 /nfs/dbraw/zinc/93/96/59/506939659.db2.gz XWNKQWUBDACSTP-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC000590754978 506939664 /nfs/dbraw/zinc/93/96/64/506939664.db2.gz XWNKQWUBDACSTP-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc1 ZINC000590754983 506939827 /nfs/dbraw/zinc/93/98/27/506939827.db2.gz YCXSHHFPKLBAKU-INIZCTEOSA-N 1 2 354.429 3.296 20 30 FGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)nc1 ZINC000590754983 506939837 /nfs/dbraw/zinc/93/98/37/506939837.db2.gz YCXSHHFPKLBAKU-INIZCTEOSA-N 1 2 354.429 3.296 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000590763005 506943137 /nfs/dbraw/zinc/94/31/37/506943137.db2.gz PHWLEFWHSOBBJI-HXUWFJFHSA-N 1 2 373.522 3.330 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000590763005 506943145 /nfs/dbraw/zinc/94/31/45/506943145.db2.gz PHWLEFWHSOBBJI-HXUWFJFHSA-N 1 2 373.522 3.330 20 30 FGEDLO CCCc1c(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cnn1-c1cccc(C#N)c1 ZINC000597545564 507002043 /nfs/dbraw/zinc/00/20/43/507002043.db2.gz QGUUYNRFIQZMAO-IAGOWNOFSA-N 1 2 374.448 3.172 20 30 FGEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600678497 507062446 /nfs/dbraw/zinc/06/24/46/507062446.db2.gz RGIZDGHYELMASZ-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO CC[N@H+](CC(=O)NCCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000597888962 507158019 /nfs/dbraw/zinc/15/80/19/507158019.db2.gz CABLQPCJRMUDNQ-UHFFFAOYSA-N 1 2 355.869 3.392 20 30 FGEDLO CC[N@@H+](CC(=O)NCCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000597888962 507158030 /nfs/dbraw/zinc/15/80/30/507158030.db2.gz CABLQPCJRMUDNQ-UHFFFAOYSA-N 1 2 355.869 3.392 20 30 FGEDLO CC[N@H+](CCCNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000584110678 507158820 /nfs/dbraw/zinc/15/88/20/507158820.db2.gz NMDWZJAUMVFWMB-UHFFFAOYSA-N 1 2 371.506 3.089 20 30 FGEDLO CC[N@@H+](CCCNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000584110678 507158824 /nfs/dbraw/zinc/15/88/24/507158824.db2.gz NMDWZJAUMVFWMB-UHFFFAOYSA-N 1 2 371.506 3.089 20 30 FGEDLO C=CCCSCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000597972835 507201058 /nfs/dbraw/zinc/20/10/58/507201058.db2.gz VXMHAQSSYVLRBS-QGZVFWFLSA-N 1 2 350.553 3.202 20 30 FGEDLO CCOC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C1CCCCCC1 ZINC000594612648 507211466 /nfs/dbraw/zinc/21/14/66/507211466.db2.gz UYYWQYUXTDUHJB-LJQANCHMSA-N 1 2 354.454 3.198 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000591406486 507237907 /nfs/dbraw/zinc/23/79/07/507237907.db2.gz JKTMRAIBHDAGGL-QZTJIDSGSA-N 1 2 363.465 3.462 20 30 FGEDLO C[C@@H](C#N)N(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000598134809 507272936 /nfs/dbraw/zinc/27/29/36/507272936.db2.gz ZLJUJRZZDUSOKE-AWEZNQCLSA-N 1 2 364.449 3.060 20 30 FGEDLO Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)cc(C#N)c1[N+](=O)[O-] ZINC000601239778 507306902 /nfs/dbraw/zinc/30/69/02/507306902.db2.gz BOJGMRIDLMCCOE-UHFFFAOYSA-N 1 2 369.450 3.335 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000610604635 507317469 /nfs/dbraw/zinc/31/74/69/507317469.db2.gz GJOPNLSYIGRSRU-PHIMTYICSA-N 1 2 371.325 3.002 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000610604635 507317477 /nfs/dbraw/zinc/31/74/77/507317477.db2.gz GJOPNLSYIGRSRU-PHIMTYICSA-N 1 2 371.325 3.002 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)nc1 ZINC000610675443 507342297 /nfs/dbraw/zinc/34/22/97/507342297.db2.gz OMFHDDFWZUSCLZ-UHFFFAOYSA-N 1 2 373.460 3.222 20 30 FGEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000584542257 507403247 /nfs/dbraw/zinc/40/32/47/507403247.db2.gz IILNMJMGAQCKJF-UHFFFAOYSA-N 1 2 354.502 3.164 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000584757147 507487134 /nfs/dbraw/zinc/48/71/34/507487134.db2.gz BRJBBALJUIHBKH-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000614402761 507497597 /nfs/dbraw/zinc/49/75/97/507497597.db2.gz HGAHQYFDQSHGRV-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502319 507531753 /nfs/dbraw/zinc/53/17/53/507531753.db2.gz SCEHLOGLUZGEOO-GOEBONIOSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502319 507531757 /nfs/dbraw/zinc/53/17/57/507531757.db2.gz SCEHLOGLUZGEOO-GOEBONIOSA-N 1 2 352.438 3.370 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000598650088 507532936 /nfs/dbraw/zinc/53/29/36/507532936.db2.gz QOKKHYQHYFKYSG-AWEZNQCLSA-N 1 2 370.453 3.248 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000598650088 507532942 /nfs/dbraw/zinc/53/29/42/507532942.db2.gz QOKKHYQHYFKYSG-AWEZNQCLSA-N 1 2 370.453 3.248 20 30 FGEDLO N#CCCN1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000611176129 507547926 /nfs/dbraw/zinc/54/79/26/507547926.db2.gz UMTWOZQHYCZCSI-UHFFFAOYSA-N 1 2 364.371 3.392 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611260946 507587346 /nfs/dbraw/zinc/58/73/46/507587346.db2.gz GIPAHWWAWJOJJK-HNNXBMFYSA-N 1 2 356.495 3.238 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000611260946 507587353 /nfs/dbraw/zinc/58/73/53/507587353.db2.gz GIPAHWWAWJOJJK-HNNXBMFYSA-N 1 2 356.495 3.238 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595611658 507590045 /nfs/dbraw/zinc/59/00/45/507590045.db2.gz MPIFNDOEJNYTOX-NSHDSACASA-N 1 2 355.341 3.330 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595611658 507590050 /nfs/dbraw/zinc/59/00/50/507590050.db2.gz MPIFNDOEJNYTOX-NSHDSACASA-N 1 2 355.341 3.330 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(-c2ccc(C)cc2)n1 ZINC000595614409 507591925 /nfs/dbraw/zinc/59/19/25/507591925.db2.gz HOIAYENCIRZYNZ-QGZVFWFLSA-N 1 2 351.454 3.053 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(-c2ccc(C)cc2)n1 ZINC000595614409 507591927 /nfs/dbraw/zinc/59/19/27/507591927.db2.gz HOIAYENCIRZYNZ-QGZVFWFLSA-N 1 2 351.454 3.053 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613184 507592084 /nfs/dbraw/zinc/59/20/84/507592084.db2.gz ALVTYGQJSNFXDA-LBPRGKRZSA-N 1 2 370.316 3.095 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613184 507592088 /nfs/dbraw/zinc/59/20/88/507592088.db2.gz ALVTYGQJSNFXDA-LBPRGKRZSA-N 1 2 370.316 3.095 20 30 FGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595620640 507596142 /nfs/dbraw/zinc/59/61/42/507596142.db2.gz OBEGJKHIBLIDAY-LBPRGKRZSA-N 1 2 369.368 3.373 20 30 FGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595620640 507596147 /nfs/dbraw/zinc/59/61/47/507596147.db2.gz OBEGJKHIBLIDAY-LBPRGKRZSA-N 1 2 369.368 3.373 20 30 FGEDLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)CC#N)C1=O ZINC000586651738 507655833 /nfs/dbraw/zinc/65/58/33/507655833.db2.gz DEIFYODFUBLZOK-UKRRQHHQSA-N 1 2 364.287 3.453 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cnc2c(ccc(Cl)c2Cl)c1 ZINC000592446710 507659175 /nfs/dbraw/zinc/65/91/75/507659175.db2.gz PAYFFDAHJJXFLM-GFCCVEGCSA-N 1 2 354.237 3.127 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cnc2c(ccc(Cl)c2Cl)c1 ZINC000592446710 507659180 /nfs/dbraw/zinc/65/91/80/507659180.db2.gz PAYFFDAHJJXFLM-GFCCVEGCSA-N 1 2 354.237 3.127 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611432433 507680029 /nfs/dbraw/zinc/68/00/29/507680029.db2.gz ZXTPFNPCLFHIAF-KRWDZBQOSA-N 1 2 350.304 3.423 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488202 507704493 /nfs/dbraw/zinc/70/44/93/507704493.db2.gz AHBICZXXJSORGX-QGZVFWFLSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)ccn1 ZINC000611488202 507704497 /nfs/dbraw/zinc/70/44/97/507704497.db2.gz AHBICZXXJSORGX-QGZVFWFLSA-N 1 2 350.470 3.499 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968473 507709551 /nfs/dbraw/zinc/70/95/51/507709551.db2.gz UBXNQECGBPRHDV-ZWKOTPCHSA-N 1 2 367.453 3.064 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968473 507709557 /nfs/dbraw/zinc/70/95/57/507709557.db2.gz UBXNQECGBPRHDV-ZWKOTPCHSA-N 1 2 367.453 3.064 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000602498687 507728971 /nfs/dbraw/zinc/72/89/71/507728971.db2.gz DWHGCNNWGGPQCZ-YJBOKZPZSA-N 1 2 356.445 3.337 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000611552833 507736188 /nfs/dbraw/zinc/73/61/88/507736188.db2.gz MGVKWBDXISJMQF-SFHVURJKSA-N 1 2 350.397 3.349 20 30 FGEDLO CC1(C)C[N@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479994600 561200863 /nfs/dbraw/zinc/20/08/63/561200863.db2.gz QUXKKWRNFOLURB-UHFFFAOYSA-N 1 2 367.497 3.007 20 30 FGEDLO CC1(C)C[N@@H+](CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 ZINC000479994600 561200864 /nfs/dbraw/zinc/20/08/64/561200864.db2.gz QUXKKWRNFOLURB-UHFFFAOYSA-N 1 2 367.497 3.007 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801064 606452471 /nfs/dbraw/zinc/45/24/71/606452471.db2.gz DMKDIROAGPEMDB-HKUYNNGSSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801064 606452473 /nfs/dbraw/zinc/45/24/73/606452473.db2.gz DMKDIROAGPEMDB-HKUYNNGSSA-N 1 2 362.412 3.278 20 30 FGEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000015365510 695618431 /nfs/dbraw/zinc/61/84/31/695618431.db2.gz MDALQESAANLWLM-LBPRGKRZSA-N 1 2 361.829 3.321 20 30 FGEDLO C=C(Br)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000119517653 700631755 /nfs/dbraw/zinc/63/17/55/700631755.db2.gz DJRQLKWZZYNIRC-GFCCVEGCSA-N 1 2 358.305 3.045 20 30 FGEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C(C)C)cc3)oc2=S)CC1 ZINC000171038634 705371685 /nfs/dbraw/zinc/37/16/85/705371685.db2.gz XPHDYCYJCQJKLW-UHFFFAOYSA-N 1 2 356.495 3.204 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174694588 705514790 /nfs/dbraw/zinc/51/47/90/705514790.db2.gz BMFZLOPFKBSKFL-PMACEKPBSA-N 1 2 355.869 3.256 20 30 FGEDLO Cc1cnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)s1 ZINC000179902585 705720831 /nfs/dbraw/zinc/72/08/31/705720831.db2.gz HLKFYZBDJMHORE-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000303576585 713786726 /nfs/dbraw/zinc/78/67/26/713786726.db2.gz LYQWOJVBRNSUFP-CSKARUKUSA-N 1 2 354.450 3.345 20 30 FGEDLO C[C@@H](O)C1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329385578 713829398 /nfs/dbraw/zinc/82/93/98/713829398.db2.gz SBQDXHYBAAZLOT-ZIAGYGMSSA-N 1 2 366.531 3.013 20 30 FGEDLO C[C@@H](O)C1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000329385578 713829401 /nfs/dbraw/zinc/82/94/01/713829401.db2.gz SBQDXHYBAAZLOT-ZIAGYGMSSA-N 1 2 366.531 3.013 20 30 FGEDLO CCc1ccc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)s1 ZINC000523439924 714234969 /nfs/dbraw/zinc/23/49/69/714234969.db2.gz SUMHGOHHRZRLHP-UHFFFAOYSA-N 1 2 355.507 3.379 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618450023 714748342 /nfs/dbraw/zinc/74/83/42/714748342.db2.gz KHUXPHGEEJVJIS-VXGBXAGGSA-N 1 2 358.326 3.250 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nnc3n2CCC3)cc1OC ZINC000623352655 715317109 /nfs/dbraw/zinc/31/71/09/715317109.db2.gz JIKAERFLIUSLNN-GFCCVEGCSA-N 1 2 362.861 3.302 20 30 FGEDLO C#CCCCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000779871735 724431704 /nfs/dbraw/zinc/43/17/04/724431704.db2.gz ITBVPXUBKFFDDB-UHFFFAOYSA-N 1 2 362.901 3.447 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1OC ZINC000628140666 716114487 /nfs/dbraw/zinc/11/44/87/716114487.db2.gz TWYNJTGPHHLWEQ-INIZCTEOSA-N 1 2 364.873 3.156 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1OC ZINC000628140666 716114489 /nfs/dbraw/zinc/11/44/89/716114489.db2.gz TWYNJTGPHHLWEQ-INIZCTEOSA-N 1 2 364.873 3.156 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754734 717113078 /nfs/dbraw/zinc/11/30/78/717113078.db2.gz JHPDBCVHVZNAMS-ZFWWWQNUSA-N 1 2 358.454 3.007 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634754734 717113079 /nfs/dbraw/zinc/11/30/79/717113079.db2.gz JHPDBCVHVZNAMS-ZFWWWQNUSA-N 1 2 358.454 3.007 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)cc1 ZINC000780793428 724501489 /nfs/dbraw/zinc/50/14/89/724501489.db2.gz NEWGCAWIAMEDMO-QGZVFWFLSA-N 1 2 355.825 3.202 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)nn1 ZINC000653673190 719074128 /nfs/dbraw/zinc/07/41/28/719074128.db2.gz MNLRDJNAJRZRBX-MRXNPFEDSA-N 1 2 355.269 3.374 20 30 FGEDLO COCC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000656267204 719386300 /nfs/dbraw/zinc/38/63/00/719386300.db2.gz UOBFNKDFSFLJLG-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO COCC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000656267204 719386302 /nfs/dbraw/zinc/38/63/02/719386302.db2.gz UOBFNKDFSFLJLG-GFCCVEGCSA-N 1 2 363.273 3.216 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)nn1 ZINC000657326753 719625895 /nfs/dbraw/zinc/62/58/95/719625895.db2.gz WZDXISPZJUNCNR-OAHLLOKOSA-N 1 2 363.259 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)[C@H](C)COC ZINC000661242001 720214100 /nfs/dbraw/zinc/21/41/00/720214100.db2.gz GLIUEVRUDQRBOB-CYBMUJFWSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)[C@H](C)COC ZINC000661242001 720214104 /nfs/dbraw/zinc/21/41/04/720214104.db2.gz GLIUEVRUDQRBOB-CYBMUJFWSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1Br)[C@H](C)COC ZINC000661245382 720214874 /nfs/dbraw/zinc/21/48/74/720214874.db2.gz AHYVQCYMMBKLHQ-GFCCVEGCSA-N 1 2 358.276 3.489 20 30 FGEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1Br)[C@H](C)COC ZINC000661245382 720214881 /nfs/dbraw/zinc/21/48/81/720214881.db2.gz AHYVQCYMMBKLHQ-GFCCVEGCSA-N 1 2 358.276 3.489 20 30 FGEDLO N#CCc1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC001165044874 721961294 /nfs/dbraw/zinc/96/12/94/721961294.db2.gz PUIARQPJCUATDK-UHFFFAOYSA-N 1 2 356.857 3.002 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000729812403 722462772 /nfs/dbraw/zinc/46/27/72/722462772.db2.gz UVOSQWDZQHJHGZ-INIZCTEOSA-N 1 2 358.438 3.127 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000729812403 722462773 /nfs/dbraw/zinc/46/27/73/722462773.db2.gz UVOSQWDZQHJHGZ-INIZCTEOSA-N 1 2 358.438 3.127 20 30 FGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752091873 722844877 /nfs/dbraw/zinc/84/48/77/722844877.db2.gz KILTVARJWMRAII-MSOLQXFVSA-N 1 2 363.889 3.464 20 30 FGEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752091873 722844879 /nfs/dbraw/zinc/84/48/79/722844879.db2.gz KILTVARJWMRAII-MSOLQXFVSA-N 1 2 363.889 3.464 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](CC)CN1C(C)=O ZINC000752091876 722845023 /nfs/dbraw/zinc/84/50/23/722845023.db2.gz KILTVARJWMRAII-ZWKOTPCHSA-N 1 2 363.889 3.464 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](CC)CN1C(C)=O ZINC000752091876 722845025 /nfs/dbraw/zinc/84/50/25/722845025.db2.gz KILTVARJWMRAII-ZWKOTPCHSA-N 1 2 363.889 3.464 20 30 FGEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]Nc1ccncc1Cl ZINC000756837595 722970572 /nfs/dbraw/zinc/97/05/72/722970572.db2.gz BHIKUCVDPKMVKQ-UHFFFAOYSA-N 1 2 351.237 3.093 20 30 FGEDLO C[N@H+](CCC1CCOCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000757841665 722980313 /nfs/dbraw/zinc/98/03/13/722980313.db2.gz UIAYDGRWTPFTSK-OAHLLOKOSA-N 1 2 357.479 3.221 20 30 FGEDLO C[N@@H+](CCC1CCOCC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000757841665 722980314 /nfs/dbraw/zinc/98/03/14/722980314.db2.gz UIAYDGRWTPFTSK-OAHLLOKOSA-N 1 2 357.479 3.221 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3nc(C)sc3c2)n1 ZINC000789762051 723071278 /nfs/dbraw/zinc/07/12/78/723071278.db2.gz SKOLUDOZNDAVNU-UHFFFAOYSA-N 1 2 354.479 3.083 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3nc(C)sc3c2)n1 ZINC000789762051 723071279 /nfs/dbraw/zinc/07/12/79/723071279.db2.gz SKOLUDOZNDAVNU-UHFFFAOYSA-N 1 2 354.479 3.083 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792916495 723382294 /nfs/dbraw/zinc/38/22/94/723382294.db2.gz YAIALQUFQKCVHA-XFJVYGCCSA-N 1 2 352.265 3.401 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792916495 723382296 /nfs/dbraw/zinc/38/22/96/723382296.db2.gz YAIALQUFQKCVHA-XFJVYGCCSA-N 1 2 352.265 3.401 20 30 FGEDLO C#CCC(CC#C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000764249537 723402049 /nfs/dbraw/zinc/40/20/49/723402049.db2.gz UNPJXUUNJMFYCV-SFHVURJKSA-N 1 2 360.860 3.395 20 30 FGEDLO CC(C)c1cn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=S)n1C ZINC000793590082 723452045 /nfs/dbraw/zinc/45/20/45/723452045.db2.gz KPHQGWRIFDMPSD-HNNXBMFYSA-N 1 2 357.483 3.057 20 30 FGEDLO CC(C)c1cn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=S)n1C ZINC000793590082 723452049 /nfs/dbraw/zinc/45/20/49/723452049.db2.gz KPHQGWRIFDMPSD-HNNXBMFYSA-N 1 2 357.483 3.057 20 30 FGEDLO CCOc1ccc(C[N@H+](Cn2nc(CC#N)n(C)c2=S)C(C)C)cc1 ZINC000794622487 723536155 /nfs/dbraw/zinc/53/61/55/723536155.db2.gz BAENEVPBMMPBCR-UHFFFAOYSA-N 1 2 359.499 3.284 20 30 FGEDLO CCOc1ccc(C[N@@H+](Cn2nc(CC#N)n(C)c2=S)C(C)C)cc1 ZINC000794622487 723536158 /nfs/dbraw/zinc/53/61/58/723536158.db2.gz BAENEVPBMMPBCR-UHFFFAOYSA-N 1 2 359.499 3.284 20 30 FGEDLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000795714915 723606988 /nfs/dbraw/zinc/60/69/88/723606988.db2.gz VFTZCXIQCGVCFH-UHFFFAOYSA-N 1 2 358.442 3.433 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000768931219 723672530 /nfs/dbraw/zinc/67/25/30/723672530.db2.gz QEEVPMQERQCRRV-UHFFFAOYSA-N 1 2 354.475 3.108 20 30 FGEDLO C#CC[N@@H+](Cc1cn(C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769403605 723684575 /nfs/dbraw/zinc/68/45/75/723684575.db2.gz INWIEVWZWAMFDP-QGZVFWFLSA-N 1 2 374.282 3.450 20 30 FGEDLO C#CC[N@H+](Cc1cn(C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769403605 723684577 /nfs/dbraw/zinc/68/45/77/723684577.db2.gz INWIEVWZWAMFDP-QGZVFWFLSA-N 1 2 374.282 3.450 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667186 723812103 /nfs/dbraw/zinc/81/21/03/723812103.db2.gz NVSJWDKCKQRQPV-LIRRHRJNSA-N 1 2 360.889 3.267 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667186 723812107 /nfs/dbraw/zinc/81/21/07/723812107.db2.gz NVSJWDKCKQRQPV-LIRRHRJNSA-N 1 2 360.889 3.267 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)c2cc(Br)cnc2C#N)c1C ZINC000798216025 723914446 /nfs/dbraw/zinc/91/44/46/723914446.db2.gz ALCLVQBVTBUMLN-UHFFFAOYSA-N 1 2 361.243 3.373 20 30 FGEDLO Cc1cc(Br)cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000774835076 723934379 /nfs/dbraw/zinc/93/43/79/723934379.db2.gz CJAJYVPVBCNYQR-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C#C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000799048332 723984599 /nfs/dbraw/zinc/98/45/99/723984599.db2.gz GEOABEANUBNSAM-DLBZAZTESA-N 1 2 363.299 3.360 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(C(=O)NCC)c1 ZINC000778160497 724305175 /nfs/dbraw/zinc/30/51/75/724305175.db2.gz XPZSWBWDOFIIOM-UHFFFAOYSA-N 1 2 356.853 3.392 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 ZINC000805436355 725071980 /nfs/dbraw/zinc/07/19/80/725071980.db2.gz HSMZUNRNFMKOLM-AWEZNQCLSA-N 1 2 365.886 3.150 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(SC(=O)N(C)C)c1 ZINC000805436355 725071981 /nfs/dbraw/zinc/07/19/81/725071981.db2.gz HSMZUNRNFMKOLM-AWEZNQCLSA-N 1 2 365.886 3.150 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529375 725312814 /nfs/dbraw/zinc/31/28/14/725312814.db2.gz FGYOAVYFKBWUOJ-KZULUSFZSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529375 725312816 /nfs/dbraw/zinc/31/28/16/725312816.db2.gz FGYOAVYFKBWUOJ-KZULUSFZSA-N 1 2 365.836 3.200 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000825147225 729372862 /nfs/dbraw/zinc/37/28/62/729372862.db2.gz DGNMZNSBBKPNQB-UHFFFAOYSA-N 1 2 358.511 3.352 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000825147225 729372863 /nfs/dbraw/zinc/37/28/63/729372863.db2.gz DGNMZNSBBKPNQB-UHFFFAOYSA-N 1 2 358.511 3.352 20 30 FGEDLO COC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745068 729729585 /nfs/dbraw/zinc/72/95/85/729729585.db2.gz IJMCGMZGALMYEY-GJZGRUSLSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745068 729729589 /nfs/dbraw/zinc/72/95/89/729729589.db2.gz IJMCGMZGALMYEY-GJZGRUSLSA-N 1 2 357.479 3.221 20 30 FGEDLO C=C(C)CONC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844285884 730698082 /nfs/dbraw/zinc/69/80/82/730698082.db2.gz LZFANZJCAWBUKR-HNNXBMFYSA-N 1 2 355.841 3.423 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343469 731048284 /nfs/dbraw/zinc/04/82/84/731048284.db2.gz VFUKXXRLWBWPOY-JEBQAFNWSA-N 1 2 363.864 3.279 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343469 731048289 /nfs/dbraw/zinc/04/82/89/731048289.db2.gz VFUKXXRLWBWPOY-JEBQAFNWSA-N 1 2 363.864 3.279 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343464 731048315 /nfs/dbraw/zinc/04/83/15/731048315.db2.gz VFUKXXRLWBWPOY-BVGQSLNGSA-N 1 2 363.864 3.279 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343464 731048319 /nfs/dbraw/zinc/04/83/19/731048319.db2.gz VFUKXXRLWBWPOY-BVGQSLNGSA-N 1 2 363.864 3.279 20 30 FGEDLO C#CCOCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000851836568 731505743 /nfs/dbraw/zinc/50/57/43/731505743.db2.gz NWBSBANSWFVXNR-MRXNPFEDSA-N 1 2 355.265 3.436 20 30 FGEDLO C#CCOCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000851836568 731505746 /nfs/dbraw/zinc/50/57/46/731505746.db2.gz NWBSBANSWFVXNR-MRXNPFEDSA-N 1 2 355.265 3.436 20 30 FGEDLO CC(C)C#CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000854331959 731816944 /nfs/dbraw/zinc/81/69/44/731816944.db2.gz BERHXVPKZKRAQQ-UHFFFAOYSA-N 1 2 374.282 3.334 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1OC ZINC000858160851 732187322 /nfs/dbraw/zinc/18/73/22/732187322.db2.gz SFYLUMOEXHGFGF-NSHDSACASA-N 1 2 363.849 3.086 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000874244377 735852940 /nfs/dbraw/zinc/85/29/40/735852940.db2.gz HEUHFSQDVZQVFB-OAHLLOKOSA-N 1 2 353.319 3.178 20 30 FGEDLO Cn1cc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c(Br)n1 ZINC000878962765 736939326 /nfs/dbraw/zinc/93/93/26/736939326.db2.gz XKAQMBKOKMXLJV-UHFFFAOYSA-N 1 2 374.286 3.131 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621009 737017454 /nfs/dbraw/zinc/01/74/54/737017454.db2.gz AEEIJHZEVHPOCU-LSDHHAIUSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879621009 737017458 /nfs/dbraw/zinc/01/74/58/737017458.db2.gz AEEIJHZEVHPOCU-LSDHHAIUSA-N 1 2 361.511 3.112 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880269903 737145417 /nfs/dbraw/zinc/14/54/17/737145417.db2.gz PLFLVYDIKCIJMS-UHFFFAOYSA-N 1 2 370.762 3.473 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880269903 737145419 /nfs/dbraw/zinc/14/54/19/737145419.db2.gz PLFLVYDIKCIJMS-UHFFFAOYSA-N 1 2 370.762 3.473 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2ccc(OC)c(O)c2Br)CC1 ZINC000895835782 742459767 /nfs/dbraw/zinc/45/97/67/742459767.db2.gz OXIIPOCEHOPJDO-UHFFFAOYSA-N 1 2 356.260 3.066 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)n1 ZINC000897596137 742693870 /nfs/dbraw/zinc/69/38/70/742693870.db2.gz MBAAGULLKZHRRM-SFHVURJKSA-N 1 2 354.841 3.001 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)n1 ZINC000897596137 742693874 /nfs/dbraw/zinc/69/38/74/742693874.db2.gz MBAAGULLKZHRRM-SFHVURJKSA-N 1 2 354.841 3.001 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)n1 ZINC000897596133 742693931 /nfs/dbraw/zinc/69/39/31/742693931.db2.gz MBAAGULLKZHRRM-GOSISDBHSA-N 1 2 354.841 3.001 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)n1 ZINC000897596133 742693933 /nfs/dbraw/zinc/69/39/33/742693933.db2.gz MBAAGULLKZHRRM-GOSISDBHSA-N 1 2 354.841 3.001 20 30 FGEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000959982518 762729707 /nfs/dbraw/zinc/72/97/07/762729707.db2.gz LUDSFBFGJJZJNX-XPABHHOTSA-N 1 2 355.320 3.014 20 30 FGEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000959982518 762729711 /nfs/dbraw/zinc/72/97/11/762729711.db2.gz LUDSFBFGJJZJNX-XPABHHOTSA-N 1 2 355.320 3.014 20 30 FGEDLO C=CCOc1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1Cl ZINC000923009887 759048746 /nfs/dbraw/zinc/04/87/46/759048746.db2.gz PDMBBCAKGQAVOS-UHFFFAOYSA-N 1 2 359.857 3.490 20 30 FGEDLO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C#N)c1O ZINC000926703372 759807087 /nfs/dbraw/zinc/80/70/87/759807087.db2.gz ULROFDKBLGETKZ-MRXNPFEDSA-N 1 2 350.484 3.052 20 30 FGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000930520891 760631444 /nfs/dbraw/zinc/63/14/44/760631444.db2.gz RKKUZBLFEKOWTH-NSHDSACASA-N 1 2 359.779 3.102 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931750850 760952989 /nfs/dbraw/zinc/95/29/89/760952989.db2.gz PTSIWRQDSFMPEV-UHFFFAOYSA-N 1 2 355.232 3.260 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cc(F)ccc3Br)CC2)C1 ZINC000933651015 761445768 /nfs/dbraw/zinc/44/57/68/761445768.db2.gz AIDXBFXOZMBRBT-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974829608 763061138 /nfs/dbraw/zinc/06/11/38/763061138.db2.gz YKOLDLNEJVSRDS-KKUMJFAQSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974829608 763061149 /nfs/dbraw/zinc/06/11/49/763061149.db2.gz YKOLDLNEJVSRDS-KKUMJFAQSA-N 1 2 355.320 3.158 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](CC=C(Cl)Cl)CC1 ZINC001001257116 765276881 /nfs/dbraw/zinc/27/68/81/765276881.db2.gz QXSSPUZVYRBHJA-HOCLYGCPSA-N 1 2 359.297 3.035 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC=C(Cl)Cl)CC1 ZINC001001257116 765276883 /nfs/dbraw/zinc/27/68/83/765276883.db2.gz QXSSPUZVYRBHJA-HOCLYGCPSA-N 1 2 359.297 3.035 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001007639049 765611327 /nfs/dbraw/zinc/61/13/27/765611327.db2.gz WTJPHCDQYDBLFL-MGPQQGTHSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001007639049 765611329 /nfs/dbraw/zinc/61/13/29/765611329.db2.gz WTJPHCDQYDBLFL-MGPQQGTHSA-N 1 2 350.812 3.464 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008824670 765708039 /nfs/dbraw/zinc/70/80/39/765708039.db2.gz MQYNTEKTJVVGND-SLFFLAALSA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008824670 765708044 /nfs/dbraw/zinc/70/80/44/765708044.db2.gz MQYNTEKTJVVGND-SLFFLAALSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001024706546 766063475 /nfs/dbraw/zinc/06/34/75/766063475.db2.gz BPNCIWPIRICPKY-IPMKNSEASA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001024706546 766063479 /nfs/dbraw/zinc/06/34/79/766063479.db2.gz BPNCIWPIRICPKY-IPMKNSEASA-N 1 2 362.901 3.282 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001033267192 766210598 /nfs/dbraw/zinc/21/05/98/766210598.db2.gz AXOPDQXLKDOKED-QRVBRYPASA-N 1 2 362.901 3.062 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001033267192 766210599 /nfs/dbraw/zinc/21/05/99/766210599.db2.gz AXOPDQXLKDOKED-QRVBRYPASA-N 1 2 362.901 3.062 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033837573 766223008 /nfs/dbraw/zinc/22/30/08/766223008.db2.gz IKCANRMCOAUXSN-LTIDMASMSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033837573 766223010 /nfs/dbraw/zinc/22/30/10/766223010.db2.gz IKCANRMCOAUXSN-LTIDMASMSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033985339 766231968 /nfs/dbraw/zinc/23/19/68/766231968.db2.gz NNEFZHGQJQGQHG-NZSAHSFTSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001033985339 766231973 /nfs/dbraw/zinc/23/19/73/766231973.db2.gz NNEFZHGQJQGQHG-NZSAHSFTSA-N 1 2 362.901 3.474 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038244949 766267791 /nfs/dbraw/zinc/26/77/91/766267791.db2.gz FNPWDPTZTIHVTE-KBRIMQKVSA-N 1 2 371.531 3.484 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038244949 766267794 /nfs/dbraw/zinc/26/77/94/766267794.db2.gz FNPWDPTZTIHVTE-KBRIMQKVSA-N 1 2 371.531 3.484 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039432240 766296400 /nfs/dbraw/zinc/29/64/00/766296400.db2.gz ODRKSVJVRRJNKF-LVQVYYBASA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039432240 766296403 /nfs/dbraw/zinc/29/64/03/766296403.db2.gz ODRKSVJVRRJNKF-LVQVYYBASA-N 1 2 355.320 3.397 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001046480343 766590547 /nfs/dbraw/zinc/59/05/47/766590547.db2.gz PNWIYQWJAFOASI-DBVUQKKJSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001046480343 766590552 /nfs/dbraw/zinc/59/05/52/766590552.db2.gz PNWIYQWJAFOASI-DBVUQKKJSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046940663 766609118 /nfs/dbraw/zinc/60/91/18/766609118.db2.gz BRGYANCBBHJTPD-FXUDXRNXSA-N 1 2 358.860 3.415 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046940663 766609124 /nfs/dbraw/zinc/60/91/24/766609124.db2.gz BRGYANCBBHJTPD-FXUDXRNXSA-N 1 2 358.860 3.415 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537375 505571190 /nfs/dbraw/zinc/57/11/90/505571190.db2.gz GYHNOAODGZDBHG-PBFPGSCMSA-N 1 2 354.372 3.345 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537375 505571191 /nfs/dbraw/zinc/57/11/91/505571191.db2.gz GYHNOAODGZDBHG-PBFPGSCMSA-N 1 2 354.372 3.345 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000576785483 505593790 /nfs/dbraw/zinc/59/37/90/505593790.db2.gz YJNBTMYTYVCHCC-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000576785483 505593793 /nfs/dbraw/zinc/59/37/93/505593793.db2.gz YJNBTMYTYVCHCC-UHFFFAOYSA-N 1 2 373.416 3.129 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000579692241 505603358 /nfs/dbraw/zinc/60/33/58/505603358.db2.gz XFVYWWULDGJXAO-UIAACRFSSA-N 1 2 363.465 3.425 20 30 FGEDLO N#CCc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000579705272 505606330 /nfs/dbraw/zinc/60/63/30/505606330.db2.gz JULHFTWAFVIDGO-UHFFFAOYSA-N 1 2 366.421 3.105 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccs1 ZINC000571067382 505645956 /nfs/dbraw/zinc/64/59/56/505645956.db2.gz QLARBXOMNIDDII-ZDUSSCGKSA-N 1 2 350.513 3.005 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccs1 ZINC000571067382 505645961 /nfs/dbraw/zinc/64/59/61/505645961.db2.gz QLARBXOMNIDDII-ZDUSSCGKSA-N 1 2 350.513 3.005 20 30 FGEDLO C=CCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000057754991 493794610 /nfs/dbraw/zinc/79/46/10/493794610.db2.gz NVRUNWWSBCMCOT-UHFFFAOYSA-N 1 2 353.344 3.282 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C#N)CC2)c1C#N ZINC000057879558 493811440 /nfs/dbraw/zinc/81/14/40/493811440.db2.gz YFZDYCSCZWHGQQ-UHFFFAOYSA-N 1 2 353.470 3.266 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029538654 493843781 /nfs/dbraw/zinc/84/37/81/493843781.db2.gz BTPCDYHZTLAREI-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029538654 493843786 /nfs/dbraw/zinc/84/37/86/493843786.db2.gz BTPCDYHZTLAREI-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000076227351 493849594 /nfs/dbraw/zinc/84/95/94/493849594.db2.gz RENCHNGQZFECKG-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000568399349 505685363 /nfs/dbraw/zinc/68/53/63/505685363.db2.gz KIVAFPVWAWVRKZ-OAQYLSRUSA-N 1 2 350.466 3.303 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000029999335 493872599 /nfs/dbraw/zinc/87/25/99/493872599.db2.gz GIUKIMAWHBNITJ-ZMPUUUETSA-N 1 2 366.396 3.059 20 30 FGEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000076399905 493885270 /nfs/dbraw/zinc/88/52/70/493885270.db2.gz VDPXJVNGDCOGHG-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000076399905 493885271 /nfs/dbraw/zinc/88/52/71/493885271.db2.gz VDPXJVNGDCOGHG-HOTGVXAUSA-N 1 2 361.511 3.378 20 30 FGEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C[C@H](C)C#N ZINC000049982481 493889532 /nfs/dbraw/zinc/88/95/32/493889532.db2.gz MOKAMIUYJGQRBT-MRXNPFEDSA-N 1 2 353.466 3.288 20 30 FGEDLO CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C[C@H](C)C#N ZINC000049982481 493889536 /nfs/dbraw/zinc/88/95/36/493889536.db2.gz MOKAMIUYJGQRBT-MRXNPFEDSA-N 1 2 353.466 3.288 20 30 FGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512412 493906625 /nfs/dbraw/zinc/90/66/25/493906625.db2.gz AYSPKYBZMPYEMA-ZDUSSCGKSA-N 1 2 364.417 3.303 20 30 FGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512412 493906627 /nfs/dbraw/zinc/90/66/27/493906627.db2.gz AYSPKYBZMPYEMA-ZDUSSCGKSA-N 1 2 364.417 3.303 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000069071918 493916253 /nfs/dbraw/zinc/91/62/53/493916253.db2.gz CGMBYEVPTGOQCL-UHFFFAOYSA-N 1 2 357.498 3.045 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)CC1CCCCC1)Cc1ccc(C#N)cc1 ZINC000069071918 493916258 /nfs/dbraw/zinc/91/62/58/493916258.db2.gz CGMBYEVPTGOQCL-UHFFFAOYSA-N 1 2 357.498 3.045 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000076805263 493974163 /nfs/dbraw/zinc/97/41/63/493974163.db2.gz XPXINLDDRZLHQZ-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000052218643 494012931 /nfs/dbraw/zinc/01/29/31/494012931.db2.gz KCJHHWXXHODGNO-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287314 494039921 /nfs/dbraw/zinc/03/99/21/494039921.db2.gz DYPLBYHAPYQFSN-UHFFFAOYSA-N 1 2 373.375 3.382 20 30 FGEDLO C=CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287314 494039924 /nfs/dbraw/zinc/03/99/24/494039924.db2.gz DYPLBYHAPYQFSN-UHFFFAOYSA-N 1 2 373.375 3.382 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754390 494084714 /nfs/dbraw/zinc/08/47/14/494084714.db2.gz SPLYKEDRYXTCGM-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754390 494084717 /nfs/dbraw/zinc/08/47/17/494084717.db2.gz SPLYKEDRYXTCGM-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO COc1ccccc1NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000084881090 494102986 /nfs/dbraw/zinc/10/29/86/494102986.db2.gz MHTZWQGMOQRMHU-UHFFFAOYSA-N 1 2 364.449 3.082 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000053221483 494106965 /nfs/dbraw/zinc/10/69/65/494106965.db2.gz AZGWSDXTQMGGLL-HXUWFJFHSA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000053221483 494106971 /nfs/dbraw/zinc/10/69/71/494106971.db2.gz AZGWSDXTQMGGLL-HXUWFJFHSA-N 1 2 367.424 3.317 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@H](C)C#N ZINC000072031586 494117745 /nfs/dbraw/zinc/11/77/45/494117745.db2.gz XKEJFICURDWHPZ-IIBYNOLFSA-N 1 2 373.497 3.143 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@H](C)C#N ZINC000072031586 494117746 /nfs/dbraw/zinc/11/77/46/494117746.db2.gz XKEJFICURDWHPZ-IIBYNOLFSA-N 1 2 373.497 3.143 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272398 494214373 /nfs/dbraw/zinc/21/43/73/494214373.db2.gz SXOQEOOPDSAQHD-HXUWFJFHSA-N 1 2 366.461 3.323 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccc(OC)cc1 ZINC000054272398 494214375 /nfs/dbraw/zinc/21/43/75/494214375.db2.gz SXOQEOOPDSAQHD-HXUWFJFHSA-N 1 2 366.461 3.323 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000072665950 494229886 /nfs/dbraw/zinc/22/98/86/494229886.db2.gz CQJXMQZOTVKANF-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000072665950 494229889 /nfs/dbraw/zinc/22/98/89/494229889.db2.gz CQJXMQZOTVKANF-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898026 494278661 /nfs/dbraw/zinc/27/86/61/494278661.db2.gz SZTISXVRUCWWSR-DLBZAZTESA-N 1 2 350.447 3.028 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898026 494278664 /nfs/dbraw/zinc/27/86/64/494278664.db2.gz SZTISXVRUCWWSR-DLBZAZTESA-N 1 2 350.447 3.028 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4cnccc43)CC2)cc1 ZINC000072935700 494286369 /nfs/dbraw/zinc/28/63/69/494286369.db2.gz GIKUCPXOZFIYBH-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000055119233 494304924 /nfs/dbraw/zinc/30/49/24/494304924.db2.gz FPVGVJNBQOYTND-NRFANRHFSA-N 1 2 369.424 3.475 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000055119233 494304927 /nfs/dbraw/zinc/30/49/27/494304927.db2.gz FPVGVJNBQOYTND-NRFANRHFSA-N 1 2 369.424 3.475 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000014187430 494309098 /nfs/dbraw/zinc/30/90/98/494309098.db2.gz FWZKAGFVQXUJTH-UHFFFAOYSA-N 1 2 371.510 3.176 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000014187430 494309103 /nfs/dbraw/zinc/30/91/03/494309103.db2.gz FWZKAGFVQXUJTH-UHFFFAOYSA-N 1 2 371.510 3.176 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)c1 ZINC000043984576 494333053 /nfs/dbraw/zinc/33/30/53/494333053.db2.gz PLFRDQJKISBOJL-IBGZPJMESA-N 1 2 360.417 3.321 20 30 FGEDLO C[N@H+](CCC(F)(F)F)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000066438047 494335594 /nfs/dbraw/zinc/33/55/94/494335594.db2.gz BIMWPHZJHCEZLX-UHFFFAOYSA-N 1 2 360.273 3.345 20 30 FGEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000066438047 494335598 /nfs/dbraw/zinc/33/55/98/494335598.db2.gz BIMWPHZJHCEZLX-UHFFFAOYSA-N 1 2 360.273 3.345 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000066565976 494356104 /nfs/dbraw/zinc/35/61/04/494356104.db2.gz MFPYXIBLBADMPU-NSHDSACASA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000066565976 494356105 /nfs/dbraw/zinc/35/61/05/494356105.db2.gz MFPYXIBLBADMPU-NSHDSACASA-N 1 2 360.508 3.332 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000045808484 494464693 /nfs/dbraw/zinc/46/46/93/494464693.db2.gz LPYJKMMYAAGMSQ-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161651 494544941 /nfs/dbraw/zinc/54/49/41/494544941.db2.gz VGTZOIZPQDXVIY-RDJZCZTQSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161651 494544947 /nfs/dbraw/zinc/54/49/47/494544947.db2.gz VGTZOIZPQDXVIY-RDJZCZTQSA-N 1 2 360.820 3.244 20 30 FGEDLO COc1ccc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)c(OC)c1 ZINC000046856801 494575570 /nfs/dbraw/zinc/57/55/70/494575570.db2.gz JHVSSVLGBLTUDV-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)c(OC)c1 ZINC000046856801 494575573 /nfs/dbraw/zinc/57/55/73/494575573.db2.gz JHVSSVLGBLTUDV-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361213 494605087 /nfs/dbraw/zinc/60/50/87/494605087.db2.gz JJTKUZYAICZPLX-CYBMUJFWSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361213 494605096 /nfs/dbraw/zinc/60/50/96/494605096.db2.gz JJTKUZYAICZPLX-CYBMUJFWSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361278 494605856 /nfs/dbraw/zinc/60/58/56/494605856.db2.gz DJUUFSBLCCNGFU-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OC)c(OCCCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361278 494605863 /nfs/dbraw/zinc/60/58/63/494605863.db2.gz DJUUFSBLCCNGFU-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361358 494605948 /nfs/dbraw/zinc/60/59/48/494605948.db2.gz VPLUWTDXODZXRC-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361358 494605956 /nfs/dbraw/zinc/60/59/56/494605956.db2.gz VPLUWTDXODZXRC-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532286 494786544 /nfs/dbraw/zinc/78/65/44/494786544.db2.gz QOKLQCLZHYLYST-FUHWJXTLSA-N 1 2 352.438 3.091 20 30 FGEDLO C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCSCC1 ZINC000131985688 494793369 /nfs/dbraw/zinc/79/33/69/494793369.db2.gz WTKNEYNSCVCBOE-ZWNOBZJWSA-N 1 2 358.294 3.112 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000121582674 494811405 /nfs/dbraw/zinc/81/14/05/494811405.db2.gz AOLMOTHMJAYKMY-FQEVSTJZSA-N 1 2 351.450 3.086 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000126696785 494822301 /nfs/dbraw/zinc/82/23/01/494822301.db2.gz CTCKWECSJVWNDM-RBUKOAKNSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000126696785 494822306 /nfs/dbraw/zinc/82/23/06/494822306.db2.gz CTCKWECSJVWNDM-RBUKOAKNSA-N 1 2 369.852 3.013 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000116601924 494823467 /nfs/dbraw/zinc/82/34/67/494823467.db2.gz USVCJRQGTQLVBV-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000027104414 494851846 /nfs/dbraw/zinc/85/18/46/494851846.db2.gz WQASIOKVQSRYDZ-UHFFFAOYSA-N 1 2 359.389 3.000 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000132409464 494869180 /nfs/dbraw/zinc/86/91/80/494869180.db2.gz BCMJTNMVOUNUBD-HNNXBMFYSA-N 1 2 370.428 3.058 20 30 FGEDLO C=CCn1c(COc2ccccc2F)nnc1SCCn1cc[nH+]c1 ZINC000121844790 494872978 /nfs/dbraw/zinc/87/29/78/494872978.db2.gz CXDZQDMPVVMSBI-UHFFFAOYSA-N 1 2 359.430 3.171 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000027776984 494885230 /nfs/dbraw/zinc/88/52/30/494885230.db2.gz COTBRXGDPTVNAS-UHFFFAOYSA-N 1 2 363.461 3.440 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000027776984 494885233 /nfs/dbraw/zinc/88/52/33/494885233.db2.gz COTBRXGDPTVNAS-UHFFFAOYSA-N 1 2 363.461 3.440 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000093684591 494912337 /nfs/dbraw/zinc/91/23/37/494912337.db2.gz INIKKJNCTFLSTM-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000117710330 494948039 /nfs/dbraw/zinc/94/80/39/494948039.db2.gz CGAGFVZSFPSGOR-CQSZACIVSA-N 1 2 371.824 3.437 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)n2c1 ZINC000127787671 494998377 /nfs/dbraw/zinc/99/83/77/494998377.db2.gz LNARMXFORPHUIW-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000097504251 495037708 /nfs/dbraw/zinc/03/77/08/495037708.db2.gz WXLNJESXIVCFCG-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(OC)cc1 ZINC000097504251 495037710 /nfs/dbraw/zinc/03/77/10/495037710.db2.gz WXLNJESXIVCFCG-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000122939770 495056433 /nfs/dbraw/zinc/05/64/33/495056433.db2.gz GBSHHBSODZATAW-UHFFFAOYSA-N 1 2 365.437 3.307 20 30 FGEDLO C=CC[NH+](Cc1cc(C(=O)OC)c(C)o1)Cc1cc(C(=O)OC)c(C)o1 ZINC000119348927 495148484 /nfs/dbraw/zinc/14/84/84/495148484.db2.gz HYXQUXJYKPVIEF-UHFFFAOYSA-N 1 2 361.394 3.251 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000571579565 505765877 /nfs/dbraw/zinc/76/58/77/505765877.db2.gz IWRCKMFZSRZPNH-CYBMUJFWSA-N 1 2 353.388 3.288 20 30 FGEDLO N#Cc1cccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000119723551 495227290 /nfs/dbraw/zinc/22/72/90/495227290.db2.gz CPPTVPXFTJKYDT-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000119723551 495227296 /nfs/dbraw/zinc/22/72/96/495227296.db2.gz CPPTVPXFTJKYDT-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO CC(C)Cc1ccc([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000129745348 495289287 /nfs/dbraw/zinc/28/92/87/495289287.db2.gz LQZTYGDOTCQDCJ-IBGZPJMESA-N 1 2 371.525 3.063 20 30 FGEDLO N#Cc1cccc(OC2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)c1 ZINC000104716138 495300477 /nfs/dbraw/zinc/30/04/77/495300477.db2.gz CBBWCKBJCXGXDT-UHFFFAOYSA-N 1 2 364.371 3.360 20 30 FGEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113998206 495341972 /nfs/dbraw/zinc/34/19/72/495341972.db2.gz IJTHPXHOOWGVIE-GOSISDBHSA-N 1 2 363.889 3.334 20 30 FGEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113998206 495341974 /nfs/dbraw/zinc/34/19/74/495341974.db2.gz IJTHPXHOOWGVIE-GOSISDBHSA-N 1 2 363.889 3.334 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000120778728 495455785 /nfs/dbraw/zinc/45/57/85/495455785.db2.gz RRGATTBINZJEDR-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000139994038 495487078 /nfs/dbraw/zinc/48/70/78/495487078.db2.gz DPRBNZVDGMHNJR-GOSISDBHSA-N 1 2 371.481 3.183 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000139994038 495487081 /nfs/dbraw/zinc/48/70/81/495487081.db2.gz DPRBNZVDGMHNJR-GOSISDBHSA-N 1 2 371.481 3.183 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)c1 ZINC000115315310 495489495 /nfs/dbraw/zinc/48/94/95/495489495.db2.gz PTCZGWQTJOLUOH-UHFFFAOYSA-N 1 2 360.417 3.154 20 30 FGEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000120994613 495499082 /nfs/dbraw/zinc/49/90/82/495499082.db2.gz XPZJITQXBUZHTI-GOSISDBHSA-N 1 2 371.282 3.227 20 30 FGEDLO CC(C)CCOc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599038 495520743 /nfs/dbraw/zinc/52/07/43/495520743.db2.gz YGSJJWFBSHEHES-FQEVSTJZSA-N 1 2 351.450 3.299 20 30 FGEDLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597210 495520773 /nfs/dbraw/zinc/52/07/73/495520773.db2.gz HEYKDECQWCQBEK-JLTOFOAXSA-N 1 2 367.449 3.233 20 30 FGEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nnnn1-c1ccccc1 ZINC000115630785 495521230 /nfs/dbraw/zinc/52/12/30/495521230.db2.gz XORCYKYNQCQYPJ-INIZCTEOSA-N 1 2 362.437 3.196 20 30 FGEDLO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000185452475 495582743 /nfs/dbraw/zinc/58/27/43/495582743.db2.gz DLMQMCFIAPDQKL-CQSZACIVSA-N 1 2 374.535 3.389 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000170758584 495592031 /nfs/dbraw/zinc/59/20/31/495592031.db2.gz ZWNSBVWREPNCGW-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000170758584 495592035 /nfs/dbraw/zinc/59/20/35/495592035.db2.gz ZWNSBVWREPNCGW-MRXNPFEDSA-N 1 2 359.426 3.161 20 30 FGEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000182803814 495708944 /nfs/dbraw/zinc/70/89/44/495708944.db2.gz PGLDISGJQTXAJO-CYBMUJFWSA-N 1 2 369.296 3.023 20 30 FGEDLO COCCOc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155271926 495898893 /nfs/dbraw/zinc/89/88/93/495898893.db2.gz WNUGULFNISWSPL-OAQYLSRUSA-N 1 2 365.477 3.094 20 30 FGEDLO COc1ccc(C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO)c(OC)c1 ZINC000177162979 495954935 /nfs/dbraw/zinc/95/49/35/495954935.db2.gz CYWJMYKFLVWHGC-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(C[N@H+](CC#Cc2ccc(Cl)cc2)CCO)c(OC)c1 ZINC000177162979 495954941 /nfs/dbraw/zinc/95/49/41/495954941.db2.gz CYWJMYKFLVWHGC-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155499792 495975562 /nfs/dbraw/zinc/97/55/62/495975562.db2.gz NNWPVMKSLWQPJI-HNNXBMFYSA-N 1 2 374.448 3.022 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155499792 495975567 /nfs/dbraw/zinc/97/55/67/495975567.db2.gz NNWPVMKSLWQPJI-HNNXBMFYSA-N 1 2 374.448 3.022 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180413846 495987202 /nfs/dbraw/zinc/98/72/02/495987202.db2.gz VUGNGOBFBHWPOP-KRWDZBQOSA-N 1 2 360.461 3.156 20 30 FGEDLO FC(F)(F)c1ccc(C#CCN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000177283349 496005254 /nfs/dbraw/zinc/00/52/54/496005254.db2.gz GSHQBYJQMIIGAE-LJQANCHMSA-N 1 2 366.427 3.244 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000155653134 496026511 /nfs/dbraw/zinc/02/65/11/496026511.db2.gz ZXURPCOZEGWHDC-UHFFFAOYSA-N 1 2 368.462 3.095 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000152361367 496126300 /nfs/dbraw/zinc/12/63/00/496126300.db2.gz UTHFBIUBZZAOBJ-VQTJNVASSA-N 1 2 370.884 3.468 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152397822 496138681 /nfs/dbraw/zinc/13/86/81/496138681.db2.gz FVGNMJRITRGIQF-OAUYIBNBSA-N 1 2 354.853 3.322 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152397822 496138686 /nfs/dbraw/zinc/13/86/86/496138686.db2.gz FVGNMJRITRGIQF-OAUYIBNBSA-N 1 2 354.853 3.322 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000184017679 496204132 /nfs/dbraw/zinc/20/41/32/496204132.db2.gz AIHDBPZACIGPLG-KRWDZBQOSA-N 1 2 366.465 3.307 20 30 FGEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000184017679 496204134 /nfs/dbraw/zinc/20/41/34/496204134.db2.gz AIHDBPZACIGPLG-KRWDZBQOSA-N 1 2 366.465 3.307 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1[nH+]ccn1C ZINC000162021656 496281623 /nfs/dbraw/zinc/28/16/23/496281623.db2.gz UVCKDRPALUMQET-CYBMUJFWSA-N 1 2 371.510 3.081 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000156827600 496342801 /nfs/dbraw/zinc/34/28/01/496342801.db2.gz IBEAAYMYAHJZBL-HNNXBMFYSA-N 1 2 358.463 3.121 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000156827600 496342805 /nfs/dbraw/zinc/34/28/05/496342805.db2.gz IBEAAYMYAHJZBL-HNNXBMFYSA-N 1 2 358.463 3.121 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187241807 496356975 /nfs/dbraw/zinc/35/69/75/496356975.db2.gz YLAPZTKRBCAEHK-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187241807 496356981 /nfs/dbraw/zinc/35/69/81/496356981.db2.gz YLAPZTKRBCAEHK-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1Cl ZINC000178192217 496363894 /nfs/dbraw/zinc/36/38/94/496363894.db2.gz IKBLAFXRSGTCEE-UHFFFAOYSA-N 1 2 358.810 3.403 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000569055081 505839457 /nfs/dbraw/zinc/83/94/57/505839457.db2.gz YYFHEOKHFUXRDW-WMZOPIPTSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000569055081 505839460 /nfs/dbraw/zinc/83/94/60/505839460.db2.gz YYFHEOKHFUXRDW-WMZOPIPTSA-N 1 2 350.422 3.142 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175506875 496419509 /nfs/dbraw/zinc/41/95/09/496419509.db2.gz YQQRXGUFSTUSRT-UHFFFAOYSA-N 1 2 373.460 3.339 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184603841 496460766 /nfs/dbraw/zinc/46/07/66/496460766.db2.gz WPDXYKOGLFZXEF-HXUWFJFHSA-N 1 2 350.397 3.319 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)CC2)cc1 ZINC000187555990 496489250 /nfs/dbraw/zinc/48/92/50/496489250.db2.gz TTYWPXZTFULVSZ-UHFFFAOYSA-N 1 2 370.456 3.194 20 30 FGEDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000157672172 496526310 /nfs/dbraw/zinc/52/63/10/496526310.db2.gz ASVJAWVAJJHHQW-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000578052712 505851178 /nfs/dbraw/zinc/85/11/78/505851178.db2.gz YFQOUAHVJHRYCG-UHFFFAOYSA-N 1 2 353.491 3.205 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000178841784 496590323 /nfs/dbraw/zinc/59/03/23/496590323.db2.gz BZUJYQKCKSUEKY-UHFFFAOYSA-N 1 2 367.424 3.096 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000178841784 496590330 /nfs/dbraw/zinc/59/03/30/496590330.db2.gz BZUJYQKCKSUEKY-UHFFFAOYSA-N 1 2 367.424 3.096 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176051377 496660820 /nfs/dbraw/zinc/66/08/20/496660820.db2.gz HNNQFGORFZLKDH-MRXNPFEDSA-N 1 2 374.847 3.084 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000176051377 496660828 /nfs/dbraw/zinc/66/08/28/496660828.db2.gz HNNQFGORFZLKDH-MRXNPFEDSA-N 1 2 374.847 3.084 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1nc(C2CCCCC2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000185240141 496714662 /nfs/dbraw/zinc/71/46/62/496714662.db2.gz KIMCAJOZEHJPOL-GJZGRUSLSA-N 1 2 373.501 3.499 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)cs1 ZINC000273407421 496796846 /nfs/dbraw/zinc/79/68/46/496796846.db2.gz XDTWXMBYLZTDFK-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)cs1 ZINC000273407421 496796851 /nfs/dbraw/zinc/79/68/51/496796851.db2.gz XDTWXMBYLZTDFK-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264132331 496820170 /nfs/dbraw/zinc/82/01/70/496820170.db2.gz OPEVZLKUFAKFJG-MRXNPFEDSA-N 1 2 374.444 3.300 20 30 FGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000247535366 496881866 /nfs/dbraw/zinc/88/18/66/496881866.db2.gz JSNASMKVFUWAEC-CMPLNLGQSA-N 1 2 361.667 3.076 20 30 FGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000247535366 496881870 /nfs/dbraw/zinc/88/18/70/496881870.db2.gz JSNASMKVFUWAEC-CMPLNLGQSA-N 1 2 361.667 3.076 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000269209849 496895384 /nfs/dbraw/zinc/89/53/84/496895384.db2.gz OHABYEIBIBPBIH-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000269209849 496895389 /nfs/dbraw/zinc/89/53/89/496895389.db2.gz OHABYEIBIBPBIH-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273763621 496899551 /nfs/dbraw/zinc/89/95/51/496899551.db2.gz YOIFRDOHWGFCLA-RYUDHWBXSA-N 1 2 350.513 3.162 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191916413 496930559 /nfs/dbraw/zinc/93/05/59/496930559.db2.gz FFNRRHCMWSVDIK-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191916413 496930564 /nfs/dbraw/zinc/93/05/64/496930564.db2.gz FFNRRHCMWSVDIK-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C#N)cc3F)CCCC2)no1 ZINC000269405947 496939732 /nfs/dbraw/zinc/93/97/32/496939732.db2.gz HMTKLPWVAGXTNJ-UHFFFAOYSA-N 1 2 371.460 3.481 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507859 496945547 /nfs/dbraw/zinc/94/55/47/496945547.db2.gz LCPIUOUPYRFQTG-LBPRGKRZSA-N 1 2 369.494 3.038 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000188929993 496951523 /nfs/dbraw/zinc/95/15/23/496951523.db2.gz KUDUSXGLAFNVKH-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3ccc(N4CCCC4)[nH+]c3)CC2)c1 ZINC000269635381 496981448 /nfs/dbraw/zinc/98/14/48/496981448.db2.gz GDODTNPAZBGGRB-UHFFFAOYSA-N 1 2 361.449 3.042 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189158033 497027930 /nfs/dbraw/zinc/02/79/30/497027930.db2.gz CDRAZJGNBBAYGJ-NRFANRHFSA-N 1 2 359.514 3.375 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000192541975 497144582 /nfs/dbraw/zinc/14/45/82/497144582.db2.gz CDIRRVVZUWLEAM-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000192541975 497144584 /nfs/dbraw/zinc/14/45/84/497144584.db2.gz CDIRRVVZUWLEAM-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271047515 497253659 /nfs/dbraw/zinc/25/36/59/497253659.db2.gz RUIGQCBLIFXSNT-GOSISDBHSA-N 1 2 354.479 3.188 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000249874345 497253998 /nfs/dbraw/zinc/25/39/98/497253998.db2.gz GRFTWNHOXXPTNN-QZTJIDSGSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000249874345 497254002 /nfs/dbraw/zinc/25/40/02/497254002.db2.gz GRFTWNHOXXPTNN-QZTJIDSGSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000574977215 505896273 /nfs/dbraw/zinc/89/62/73/505896273.db2.gz AQSUFAIOSPPFSX-AZUAARDMSA-N 1 2 373.378 3.080 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000574977215 505896275 /nfs/dbraw/zinc/89/62/75/505896275.db2.gz AQSUFAIOSPPFSX-AZUAARDMSA-N 1 2 373.378 3.080 20 30 FGEDLO Cc1cc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nn1CCC#N ZINC000271084125 497260849 /nfs/dbraw/zinc/26/08/49/497260849.db2.gz SIUMYSMCYLZQTH-UHFFFAOYSA-N 1 2 373.486 3.192 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271092098 497262475 /nfs/dbraw/zinc/26/24/75/497262475.db2.gz WVRSKHRRJVRZCB-MRXNPFEDSA-N 1 2 363.465 3.022 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@H]1C ZINC000251778318 497284678 /nfs/dbraw/zinc/28/46/78/497284678.db2.gz LGFOCVGBDVFZCK-ZMSDIMECSA-N 1 2 361.511 3.234 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[C@H]1C ZINC000251778318 497284681 /nfs/dbraw/zinc/28/46/81/497284681.db2.gz LGFOCVGBDVFZCK-ZMSDIMECSA-N 1 2 361.511 3.234 20 30 FGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C1CC1 ZINC000271540525 497377308 /nfs/dbraw/zinc/37/73/08/497377308.db2.gz YWDPDNBNKOLAPT-UHFFFAOYSA-N 1 2 351.353 3.497 20 30 FGEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C1CC1 ZINC000271540525 497377312 /nfs/dbraw/zinc/37/73/12/497377312.db2.gz YWDPDNBNKOLAPT-UHFFFAOYSA-N 1 2 351.353 3.497 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCc1ccc(Br)cc1 ZINC000593155223 506428260 /nfs/dbraw/zinc/42/82/60/506428260.db2.gz BZGMTZUHOXFXCL-QGZVFWFLSA-N 1 2 366.303 3.122 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)nc1 ZINC000193853825 497502810 /nfs/dbraw/zinc/50/28/10/497502810.db2.gz BVHYIIYONSQHDW-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245709083 497511358 /nfs/dbraw/zinc/51/13/58/497511358.db2.gz YKZHHAINUJQPLL-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245709083 497511359 /nfs/dbraw/zinc/51/13/59/497511359.db2.gz YKZHHAINUJQPLL-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713268 497512293 /nfs/dbraw/zinc/51/22/93/497512293.db2.gz UGYJJYXZVAHKHF-QZTJIDSGSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713268 497512297 /nfs/dbraw/zinc/51/22/97/497512297.db2.gz UGYJJYXZVAHKHF-QZTJIDSGSA-N 1 2 356.376 3.403 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272473766 497639180 /nfs/dbraw/zinc/63/91/80/497639180.db2.gz AGDCWEFXNFKFLG-UHFFFAOYSA-N 1 2 365.481 3.362 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000272514594 497649207 /nfs/dbraw/zinc/64/92/07/497649207.db2.gz JCXLBBSJHCYJRB-IRXDYDNUSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000272514594 497649214 /nfs/dbraw/zinc/64/92/14/497649214.db2.gz JCXLBBSJHCYJRB-IRXDYDNUSA-N 1 2 362.424 3.045 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000272539838 497655502 /nfs/dbraw/zinc/65/55/02/497655502.db2.gz JOPUSHIEUMPQTG-MRXNPFEDSA-N 1 2 366.421 3.176 20 30 FGEDLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155540 506429411 /nfs/dbraw/zinc/42/94/11/506429411.db2.gz ZXXWHJZTPJLATM-BONVTDFDSA-N 1 2 360.310 3.434 20 30 FGEDLO N#C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CCN1Cc1ccccc1 ZINC000246372925 497712160 /nfs/dbraw/zinc/71/21/60/497712160.db2.gz MMGBGZBEAKBXKO-JOCHJYFZSA-N 1 2 357.461 3.082 20 30 FGEDLO CCC1(C)CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000263652166 497805543 /nfs/dbraw/zinc/80/55/43/497805543.db2.gz BWHFMRJNCSFDPQ-HNNXBMFYSA-N 1 2 352.438 3.024 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329624151 497849929 /nfs/dbraw/zinc/84/99/29/497849929.db2.gz GFSHMWBZXUHLRC-VIFPVBQESA-N 1 2 367.812 3.159 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(CCC#N)CC1)c1ccc(F)cc1 ZINC000578438782 505940112 /nfs/dbraw/zinc/94/01/12/505940112.db2.gz KJJOOVLHZABQRC-GOSISDBHSA-N 1 2 369.444 3.374 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000329792666 497902828 /nfs/dbraw/zinc/90/28/28/497902828.db2.gz AKYNNGCRAMARJU-CQSZACIVSA-N 1 2 374.460 3.372 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292156332 497903095 /nfs/dbraw/zinc/90/30/95/497903095.db2.gz KPVMIMDYNXMRIX-DZGCQCFKSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292156332 497903104 /nfs/dbraw/zinc/90/31/04/497903104.db2.gz KPVMIMDYNXMRIX-DZGCQCFKSA-N 1 2 370.840 3.087 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284848096 497920404 /nfs/dbraw/zinc/92/04/04/497920404.db2.gz RJNDGAMIBOMWAJ-DIOULYMOSA-N 1 2 352.265 3.401 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284848096 497920408 /nfs/dbraw/zinc/92/04/08/497920408.db2.gz RJNDGAMIBOMWAJ-DIOULYMOSA-N 1 2 352.265 3.401 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000329855707 497928661 /nfs/dbraw/zinc/92/86/61/497928661.db2.gz UGUVQRXCPXGDSI-NVXWUHKLSA-N 1 2 361.442 3.073 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000329855707 497928667 /nfs/dbraw/zinc/92/86/67/497928667.db2.gz UGUVQRXCPXGDSI-NVXWUHKLSA-N 1 2 361.442 3.073 20 30 FGEDLO CC(C)[C@@H](C(=O)NCc1nnc(C(C)(C)C)s1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329868284 497934341 /nfs/dbraw/zinc/93/43/41/497934341.db2.gz XGBLHUVLDVTSMF-NFAWXSAZSA-N 1 2 368.547 3.426 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000329906832 497948636 /nfs/dbraw/zinc/94/86/36/497948636.db2.gz KJYPGTRYKPKGRU-VYSRMENRSA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000329906832 497948643 /nfs/dbraw/zinc/94/86/43/497948643.db2.gz KJYPGTRYKPKGRU-VYSRMENRSA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1 ZINC000329920742 497953628 /nfs/dbraw/zinc/95/36/28/497953628.db2.gz FEUOZIKIEJPBSH-OFQRWUPVSA-N 1 2 366.437 3.059 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1 ZINC000329920742 497953632 /nfs/dbraw/zinc/95/36/32/497953632.db2.gz FEUOZIKIEJPBSH-OFQRWUPVSA-N 1 2 366.437 3.059 20 30 FGEDLO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(-c2cccnc2)[nH+]1 ZINC000301172905 497984186 /nfs/dbraw/zinc/98/41/86/497984186.db2.gz XTZPYLQJWWOAOD-UHFFFAOYSA-N 1 2 371.448 3.195 20 30 FGEDLO Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c(=O)n1 ZINC000329995084 497984088 /nfs/dbraw/zinc/98/40/88/497984088.db2.gz MUOQRIWVBWZKDE-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000330075543 498011916 /nfs/dbraw/zinc/01/19/16/498011916.db2.gz DIWOEADGYKQAPJ-MJGOQNOKSA-N 1 2 354.454 3.221 20 30 FGEDLO Cc1nnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(C#N)c1C ZINC000301233584 498013044 /nfs/dbraw/zinc/01/30/44/498013044.db2.gz GPSYAIKHQQGWGW-AWEZNQCLSA-N 1 2 357.408 3.320 20 30 FGEDLO Cc1nnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(C#N)c1C ZINC000301233584 498013050 /nfs/dbraw/zinc/01/30/50/498013050.db2.gz GPSYAIKHQQGWGW-AWEZNQCLSA-N 1 2 357.408 3.320 20 30 FGEDLO CCc1nnc(C2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)[nH]1 ZINC000330097325 498020589 /nfs/dbraw/zinc/02/05/89/498020589.db2.gz AQNUHQFFMAQPQT-UHFFFAOYSA-N 1 2 371.529 3.472 20 30 FGEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000330097325 498020597 /nfs/dbraw/zinc/02/05/97/498020597.db2.gz AQNUHQFFMAQPQT-UHFFFAOYSA-N 1 2 371.529 3.472 20 30 FGEDLO CCc1nc(C2CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000330097325 498020603 /nfs/dbraw/zinc/02/06/03/498020603.db2.gz AQNUHQFFMAQPQT-UHFFFAOYSA-N 1 2 371.529 3.472 20 30 FGEDLO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000330123907 498029921 /nfs/dbraw/zinc/02/99/21/498029921.db2.gz HWGJGRPSRAKRCT-VQIMIIECSA-N 1 2 369.469 3.040 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129040 498031170 /nfs/dbraw/zinc/03/11/70/498031170.db2.gz OBJOFXHEGNDZJB-FHSNZYRGSA-N 1 2 354.397 3.211 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330129040 498031177 /nfs/dbraw/zinc/03/11/77/498031177.db2.gz OBJOFXHEGNDZJB-FHSNZYRGSA-N 1 2 354.397 3.211 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCOC3(CCCC3)C1)C2 ZINC000330132658 498032529 /nfs/dbraw/zinc/03/25/29/498032529.db2.gz LOWNEVXJQWUDNQ-OAHLLOKOSA-N 1 2 360.502 3.054 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCOC2(CCCC2)C1 ZINC000330142492 498037253 /nfs/dbraw/zinc/03/72/53/498037253.db2.gz YHJSVEHYAMHJQL-OAHLLOKOSA-N 1 2 360.454 3.469 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCOC2(CCCC2)C1 ZINC000330142492 498037255 /nfs/dbraw/zinc/03/72/55/498037255.db2.gz YHJSVEHYAMHJQL-OAHLLOKOSA-N 1 2 360.454 3.469 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)s1 ZINC000330147377 498038527 /nfs/dbraw/zinc/03/85/27/498038527.db2.gz IQTSTDGQXZEHLM-KSSFIOAISA-N 1 2 352.500 3.037 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)s1 ZINC000330147377 498038529 /nfs/dbraw/zinc/03/85/29/498038529.db2.gz IQTSTDGQXZEHLM-KSSFIOAISA-N 1 2 352.500 3.037 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)n1 ZINC000301293628 498043339 /nfs/dbraw/zinc/04/33/39/498043339.db2.gz WEJNXUFDYJMWLM-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)[S@@]1=O ZINC000289176834 498047733 /nfs/dbraw/zinc/04/77/33/498047733.db2.gz AARWCFPWFZAPMF-HMFAJSFMSA-N 1 2 364.511 3.109 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)[S@@]1=O ZINC000289176834 498047743 /nfs/dbraw/zinc/04/77/43/498047743.db2.gz AARWCFPWFZAPMF-HMFAJSFMSA-N 1 2 364.511 3.109 20 30 FGEDLO CSC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330189365 498055800 /nfs/dbraw/zinc/05/58/00/498055800.db2.gz LSNYFLSGQYUFSS-HUUCEWRRSA-N 1 2 364.559 3.484 20 30 FGEDLO C#Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296570633 498100213 /nfs/dbraw/zinc/10/02/13/498100213.db2.gz DMODOLFQQFGPEV-IBGZPJMESA-N 1 2 362.477 3.290 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000289315929 498102562 /nfs/dbraw/zinc/10/25/62/498102562.db2.gz JPNPRJPTZBNSMM-INIZCTEOSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccncc3)C2)c(C#N)c1C ZINC000289315929 498102568 /nfs/dbraw/zinc/10/25/68/498102568.db2.gz JPNPRJPTZBNSMM-INIZCTEOSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000330337808 498110108 /nfs/dbraw/zinc/11/01/08/498110108.db2.gz ULHYJLRUUOZBCD-SFHVURJKSA-N 1 2 358.486 3.283 20 30 FGEDLO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281333785 498110146 /nfs/dbraw/zinc/11/01/46/498110146.db2.gz VZFKGLXNPLSQLU-LJQANCHMSA-N 1 2 371.481 3.117 20 30 FGEDLO N#Cc1nc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)ccc1Cl ZINC000301529082 498150133 /nfs/dbraw/zinc/15/01/33/498150133.db2.gz ONXBXVUOSQVYSL-UHFFFAOYSA-N 1 2 355.829 3.052 20 30 FGEDLO CCc1nnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C#N)c1CC ZINC000301620619 498191171 /nfs/dbraw/zinc/19/11/71/498191171.db2.gz MQFYLYCVVGKPAP-UHFFFAOYSA-N 1 2 369.900 3.449 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1 ZINC000296779028 498193330 /nfs/dbraw/zinc/19/33/30/498193330.db2.gz ZTCLKWJLNVTUEC-QGZVFWFLSA-N 1 2 354.454 3.278 20 30 FGEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000331248730 498284138 /nfs/dbraw/zinc/28/41/38/498284138.db2.gz RLBWVHQSWUWTTC-FZMZJTMJSA-N 1 2 368.275 3.025 20 30 FGEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000331248730 498284143 /nfs/dbraw/zinc/28/41/43/498284143.db2.gz RLBWVHQSWUWTTC-FZMZJTMJSA-N 1 2 368.275 3.025 20 30 FGEDLO C=C(C)[C@H](CC(=O)N(CC)[C@H](c1[nH+]ccn1C)c1cccnc1)OCC ZINC000362180977 498473240 /nfs/dbraw/zinc/47/32/40/498473240.db2.gz SVIPPMRZDKEGKP-HKUYNNGSSA-N 1 2 356.470 3.124 20 30 FGEDLO Cc1ccc([C@@H](CNc2ncc3c(c2C#N)CCC3)[NH+]2CCOCC2)s1 ZINC000581663270 506040178 /nfs/dbraw/zinc/04/01/78/506040178.db2.gz JTNRIBNKUFZKNZ-GOSISDBHSA-N 1 2 368.506 3.297 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439232 498485370 /nfs/dbraw/zinc/48/53/70/498485370.db2.gz MSLPWGNEFKHEMY-PBHICJAKSA-N 1 2 352.463 3.365 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H](CNc2c(C#N)cccc2C#N)c2cccs2)CCO1 ZINC000302439232 498485375 /nfs/dbraw/zinc/48/53/75/498485375.db2.gz MSLPWGNEFKHEMY-PBHICJAKSA-N 1 2 352.463 3.365 20 30 FGEDLO COc1cccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000331998135 498527554 /nfs/dbraw/zinc/52/75/54/498527554.db2.gz BLHICPZOZLKMKL-UHFFFAOYSA-N 1 2 353.466 3.127 20 30 FGEDLO COc1cccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000331998135 498527562 /nfs/dbraw/zinc/52/75/62/498527562.db2.gz BLHICPZOZLKMKL-UHFFFAOYSA-N 1 2 353.466 3.127 20 30 FGEDLO Cc1cc(OCCN(CCC#N)CC[NH+]2CCOCC2)ccc1C(C)C ZINC000302837134 498595724 /nfs/dbraw/zinc/59/57/24/498595724.db2.gz LAZLYFXNDFQWNY-UHFFFAOYSA-N 1 2 359.514 3.045 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cc(C#N)ncn2)cc1 ZINC000572820249 506060113 /nfs/dbraw/zinc/06/01/13/506060113.db2.gz LRHOTBKBYBVWOL-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO C=CCOc1ccc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000294224529 498625462 /nfs/dbraw/zinc/62/54/62/498625462.db2.gz DIHMHUREHBOXJE-UHFFFAOYSA-N 1 2 351.450 3.106 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298128635 498671797 /nfs/dbraw/zinc/67/17/97/498671797.db2.gz NKEDGAHDVBDTFT-MRXNPFEDSA-N 1 2 351.454 3.351 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298128635 498671805 /nfs/dbraw/zinc/67/18/05/498671805.db2.gz NKEDGAHDVBDTFT-MRXNPFEDSA-N 1 2 351.454 3.351 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000579014053 506074104 /nfs/dbraw/zinc/07/41/04/506074104.db2.gz MIEGGEAGIJODIN-AWEZNQCLSA-N 1 2 354.888 3.099 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000365925084 498700944 /nfs/dbraw/zinc/70/09/44/498700944.db2.gz SIHOZRUOKNQCCP-UHFFFAOYSA-N 1 2 361.352 3.294 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000365925084 498700951 /nfs/dbraw/zinc/70/09/51/498700951.db2.gz SIHOZRUOKNQCCP-UHFFFAOYSA-N 1 2 361.352 3.294 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)Cc3ccc(OCC#N)cc3)ccc2n1C1CC1 ZINC000283011255 498745956 /nfs/dbraw/zinc/74/59/56/498745956.db2.gz WJOPZWJVYXTFOL-UHFFFAOYSA-N 1 2 374.444 3.441 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)nc12 ZINC000363289547 498747198 /nfs/dbraw/zinc/74/71/98/498747198.db2.gz WAFOYRFWDUDILQ-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)nc12 ZINC000363289547 498747201 /nfs/dbraw/zinc/74/72/01/498747201.db2.gz WAFOYRFWDUDILQ-WOJBJXKFSA-N 1 2 358.445 3.275 20 30 FGEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000363384741 498792743 /nfs/dbraw/zinc/79/27/43/498792743.db2.gz OZGYOLDJNKITRA-UHFFFAOYSA-N 1 2 367.424 3.100 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000287586276 498805517 /nfs/dbraw/zinc/80/55/17/498805517.db2.gz CNVYORXTFRWDCY-CABCVRRESA-N 1 2 353.285 3.027 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000287586276 498805513 /nfs/dbraw/zinc/80/55/13/498805513.db2.gz CNVYORXTFRWDCY-CABCVRRESA-N 1 2 353.285 3.027 20 30 FGEDLO C=CCOc1ccc(C=CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1OC ZINC000363657261 498927915 /nfs/dbraw/zinc/92/79/15/498927915.db2.gz AYMLWMHEROEARJ-FNORWQNLSA-N 1 2 367.449 3.403 20 30 FGEDLO C=CCOc1ccc(C=CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000363657261 498927917 /nfs/dbraw/zinc/92/79/17/498927917.db2.gz AYMLWMHEROEARJ-FNORWQNLSA-N 1 2 367.449 3.403 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000328772099 498932835 /nfs/dbraw/zinc/93/28/35/498932835.db2.gz JNORDTMQYDSPGR-ZWKOTPCHSA-N 1 2 359.470 3.163 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1coc(C3CCOCC3)n1)C2 ZINC000328781205 498937012 /nfs/dbraw/zinc/93/70/12/498937012.db2.gz HHCAKKLMQUGBKU-AWEZNQCLSA-N 1 2 372.469 3.382 20 30 FGEDLO C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1CO ZINC000328860476 498964160 /nfs/dbraw/zinc/96/41/60/498964160.db2.gz YYGXCPYHAWPUPF-HNAYVOBHSA-N 1 2 366.465 3.240 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000579212702 506120448 /nfs/dbraw/zinc/12/04/48/506120448.db2.gz UUUFGOTZGHETEZ-QGZVFWFLSA-N 1 2 351.479 3.391 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000579212702 506120451 /nfs/dbraw/zinc/12/04/51/506120451.db2.gz UUUFGOTZGHETEZ-QGZVFWFLSA-N 1 2 351.479 3.391 20 30 FGEDLO C[C@@H]1CN(c2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000328910670 498981796 /nfs/dbraw/zinc/98/17/96/498981796.db2.gz FTDKWDQJBPQOPL-XHSDSOJGSA-N 1 2 354.454 3.347 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932113 498990678 /nfs/dbraw/zinc/99/06/78/498990678.db2.gz BMGBSTYEZJHNIS-CGTJXYLNSA-N 1 2 350.434 3.238 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932113 498990685 /nfs/dbraw/zinc/99/06/85/498990685.db2.gz BMGBSTYEZJHNIS-CGTJXYLNSA-N 1 2 350.434 3.238 20 30 FGEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329068397 499032308 /nfs/dbraw/zinc/03/23/08/499032308.db2.gz XNBCSQYQABIQOG-INIZCTEOSA-N 1 2 368.481 3.402 20 30 FGEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329068397 499032313 /nfs/dbraw/zinc/03/23/13/499032313.db2.gz XNBCSQYQABIQOG-INIZCTEOSA-N 1 2 368.481 3.402 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000363968702 499071410 /nfs/dbraw/zinc/07/14/10/499071410.db2.gz IWFVQFLRZCYKFM-CYBMUJFWSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333767124 499074594 /nfs/dbraw/zinc/07/45/94/499074594.db2.gz QMQWTPUJGSQYIE-BBWFWOEESA-N 1 2 351.454 3.211 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229591 499078861 /nfs/dbraw/zinc/07/88/61/499078861.db2.gz CTXBBIROPAHGME-RTWAWAEBSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229591 499078864 /nfs/dbraw/zinc/07/88/64/499078864.db2.gz CTXBBIROPAHGME-RTWAWAEBSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1F ZINC000366813845 499082814 /nfs/dbraw/zinc/08/28/14/499082814.db2.gz AIHXOQTVDDVXHX-UHFFFAOYSA-N 1 2 374.419 3.335 20 30 FGEDLO CC1(C)C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C(C)(C)O1 ZINC000329250521 499083891 /nfs/dbraw/zinc/08/38/91/499083891.db2.gz ULGYYHMPCHIEHC-CYBMUJFWSA-N 1 2 350.850 3.337 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000329325155 499099822 /nfs/dbraw/zinc/09/98/22/499099822.db2.gz IONRAKFFERYXPQ-HKUYNNGSSA-N 1 2 374.529 3.267 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c(OC)cc1Cl ZINC000329330772 499100961 /nfs/dbraw/zinc/10/09/61/499100961.db2.gz ZGJGVPQOVGUSTC-UHFFFAOYSA-N 1 2 354.834 3.058 20 30 FGEDLO COc1cc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c(OC)cc1Cl ZINC000329330772 499100965 /nfs/dbraw/zinc/10/09/65/499100965.db2.gz ZGJGVPQOVGUSTC-UHFFFAOYSA-N 1 2 354.834 3.058 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886728 499106276 /nfs/dbraw/zinc/10/62/76/499106276.db2.gz RRCMKOXXWVQNPD-RDJZCZTQSA-N 1 2 354.454 3.133 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886728 499106280 /nfs/dbraw/zinc/10/62/80/499106280.db2.gz RRCMKOXXWVQNPD-RDJZCZTQSA-N 1 2 354.454 3.133 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000329363018 499108791 /nfs/dbraw/zinc/10/87/91/499108791.db2.gz DBFJNHZBTBJUIA-MRXNPFEDSA-N 1 2 359.470 3.349 20 30 FGEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CCOCC2(CC2)C1 ZINC000329363018 499108796 /nfs/dbraw/zinc/10/87/96/499108796.db2.gz DBFJNHZBTBJUIA-MRXNPFEDSA-N 1 2 359.470 3.349 20 30 FGEDLO CC(C)(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000329378845 499111821 /nfs/dbraw/zinc/11/18/21/499111821.db2.gz MSDDNMYSDXCNEL-HZPDHXFCSA-N 1 2 352.862 3.237 20 30 FGEDLO Cc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)c[nH+]c1N1CCCC[C@H]1C ZINC000329388329 499113821 /nfs/dbraw/zinc/11/38/21/499113821.db2.gz RHGUCUFDTIYNQR-HZPDHXFCSA-N 1 2 373.501 3.106 20 30 FGEDLO CC(C)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2cccnc2)no1 ZINC000366927245 499117430 /nfs/dbraw/zinc/11/74/30/499117430.db2.gz WSJBYOPTHXPIAP-GOSISDBHSA-N 1 2 373.420 3.138 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061254 499141864 /nfs/dbraw/zinc/14/18/64/499141864.db2.gz VLGCTTHJHZOALO-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061254 499141867 /nfs/dbraw/zinc/14/18/67/499141867.db2.gz VLGCTTHJHZOALO-VLIAUNLRSA-N 1 2 367.836 3.194 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369885058 499145459 /nfs/dbraw/zinc/14/54/59/499145459.db2.gz VPESUBFHTVCKRB-CYBMUJFWSA-N 1 2 355.413 3.428 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369885058 499145461 /nfs/dbraw/zinc/14/54/61/499145461.db2.gz VPESUBFHTVCKRB-CYBMUJFWSA-N 1 2 355.413 3.428 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCCn3cc[nH+]c32)cnn1-c1cccc(C#N)c1 ZINC000372678399 499159460 /nfs/dbraw/zinc/15/94/60/499159460.db2.gz RNWWNIGVJAHPRQ-KRWDZBQOSA-N 1 2 374.448 3.409 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000370191217 499195548 /nfs/dbraw/zinc/19/55/48/499195548.db2.gz COUFYPAZECOQAI-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 ZINC000370191217 499195550 /nfs/dbraw/zinc/19/55/50/499195550.db2.gz COUFYPAZECOQAI-QGZVFWFLSA-N 1 2 365.437 3.374 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460782 499201553 /nfs/dbraw/zinc/20/15/53/499201553.db2.gz JCMCTJXXTCHRGL-UHFFFAOYSA-N 1 2 363.387 3.337 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460782 499201555 /nfs/dbraw/zinc/20/15/55/499201555.db2.gz JCMCTJXXTCHRGL-UHFFFAOYSA-N 1 2 363.387 3.337 20 30 FGEDLO COC(=O)c1ccc(F)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000370313736 499208433 /nfs/dbraw/zinc/20/84/33/499208433.db2.gz KXZZZORRXQUUML-UHFFFAOYSA-N 1 2 353.397 3.065 20 30 FGEDLO C=CCCCCCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000367815605 499235471 /nfs/dbraw/zinc/23/54/71/499235471.db2.gz PXPONUBLIONZMT-YLJYHZDGSA-N 1 2 374.529 3.363 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000367999819 499253478 /nfs/dbraw/zinc/25/34/78/499253478.db2.gz WDWNONLYLZTMPR-AZUAARDMSA-N 1 2 358.449 3.024 20 30 FGEDLO CCN(C(=O)/C=C/c1ccccc1C#N)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370863060 499263863 /nfs/dbraw/zinc/26/38/63/499263863.db2.gz UCXQHMVRXPBDSB-ZJVMWOEPSA-N 1 2 371.444 3.338 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1)OCC ZINC000371054978 499284262 /nfs/dbraw/zinc/28/42/62/499284262.db2.gz POSWCDANGQUTFG-KRWDZBQOSA-N 1 2 365.543 3.111 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1)OCC ZINC000371054978 499284264 /nfs/dbraw/zinc/28/42/64/499284264.db2.gz POSWCDANGQUTFG-KRWDZBQOSA-N 1 2 365.543 3.111 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccccn3)CC2)c(C#N)c1C ZINC000371323119 499309854 /nfs/dbraw/zinc/30/98/54/499309854.db2.gz KZXCMLXZXKSGJW-UHFFFAOYSA-N 1 2 354.479 3.450 20 30 FGEDLO N#CC[C@H](CC(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000369134508 499369352 /nfs/dbraw/zinc/36/93/52/499369352.db2.gz NLCRJGCZEJOMMA-GOSISDBHSA-N 1 2 368.506 3.265 20 30 FGEDLO N#CC[C@H](CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000369134508 499369354 /nfs/dbraw/zinc/36/93/54/499369354.db2.gz NLCRJGCZEJOMMA-GOSISDBHSA-N 1 2 368.506 3.265 20 30 FGEDLO Cc1csc2nc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000371853158 499371759 /nfs/dbraw/zinc/37/17/59/499371759.db2.gz MMNSKOGMBOZZSD-MSOLQXFVSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1csc2nc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000371853158 499371761 /nfs/dbraw/zinc/37/17/61/499371761.db2.gz MMNSKOGMBOZZSD-MSOLQXFVSA-N 1 2 364.474 3.336 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000373082941 499450421 /nfs/dbraw/zinc/45/04/21/499450421.db2.gz YEMYPJDFRCJLSY-OAHLLOKOSA-N 1 2 367.453 3.490 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373105318 499451735 /nfs/dbraw/zinc/45/17/35/499451735.db2.gz WVEDQUCIXZSUQA-INIZCTEOSA-N 1 2 367.453 3.490 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CC=C(c2cncc(F)c2)CC1)c1ccccc1 ZINC000373122605 499452620 /nfs/dbraw/zinc/45/26/20/499452620.db2.gz GGWQYLSAGCEBML-UHFFFAOYSA-N 1 2 364.424 3.257 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CC=C(c2cncc(F)c2)CC1)c1ccccc1 ZINC000373122605 499452621 /nfs/dbraw/zinc/45/26/21/499452621.db2.gz GGWQYLSAGCEBML-UHFFFAOYSA-N 1 2 364.424 3.257 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000373450618 499470526 /nfs/dbraw/zinc/47/05/26/499470526.db2.gz BADPEGCADQSFEU-CYBMUJFWSA-N 1 2 362.474 3.419 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373524132 499474891 /nfs/dbraw/zinc/47/48/91/499474891.db2.gz XPHOAGWXXBJQMS-UHFFFAOYSA-N 1 2 374.366 3.243 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000378350630 499505557 /nfs/dbraw/zinc/50/55/57/499505557.db2.gz TWFZMHRDYOYGHA-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000378350630 499505559 /nfs/dbraw/zinc/50/55/59/499505559.db2.gz TWFZMHRDYOYGHA-UHFFFAOYSA-N 1 2 352.463 3.359 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000375758830 499552466 /nfs/dbraw/zinc/55/24/66/499552466.db2.gz AXXRVSRWVWRMSV-OAHLLOKOSA-N 1 2 372.494 3.474 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000375758830 499552467 /nfs/dbraw/zinc/55/24/67/499552467.db2.gz AXXRVSRWVWRMSV-OAHLLOKOSA-N 1 2 372.494 3.474 20 30 FGEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596220 499621569 /nfs/dbraw/zinc/62/15/69/499621569.db2.gz UBYPJVPAATYXLI-UHFFFAOYSA-N 1 2 362.477 3.448 20 30 FGEDLO COCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000377250487 499673953 /nfs/dbraw/zinc/67/39/53/499673953.db2.gz NLIAEMQASCWJML-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000377250487 499673955 /nfs/dbraw/zinc/67/39/55/499673955.db2.gz NLIAEMQASCWJML-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411191843 499709149 /nfs/dbraw/zinc/70/91/49/499709149.db2.gz KNORXVHBTOKYLH-OAHLLOKOSA-N 1 2 371.441 3.387 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411191843 499709150 /nfs/dbraw/zinc/70/91/50/499709150.db2.gz KNORXVHBTOKYLH-OAHLLOKOSA-N 1 2 371.441 3.387 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411510238 499749239 /nfs/dbraw/zinc/74/92/39/499749239.db2.gz FQPRZRSAPOPVAO-MOPGFXCFSA-N 1 2 367.449 3.260 20 30 FGEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000414363843 499781217 /nfs/dbraw/zinc/78/12/17/499781217.db2.gz HFKGBWDKFCWBLL-UHFFFAOYSA-N 1 2 355.404 3.062 20 30 FGEDLO C=CCN1CC[C@H](N(C)c2[nH+]ccc3cc(Br)ccc32)C1=O ZINC000413264455 499934246 /nfs/dbraw/zinc/93/42/46/499934246.db2.gz IIAZSIGITZEPOL-HNNXBMFYSA-N 1 2 360.255 3.220 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cccc(F)c2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000428952247 499967600 /nfs/dbraw/zinc/96/76/00/499967600.db2.gz HWUHLLXIGKFSCG-AUUYWEPGSA-N 1 2 360.454 3.270 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000428961349 499969285 /nfs/dbraw/zinc/96/92/85/499969285.db2.gz HBFZNHRKHDJZGC-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000428961349 499969288 /nfs/dbraw/zinc/96/92/88/499969288.db2.gz HBFZNHRKHDJZGC-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000413577485 499995449 /nfs/dbraw/zinc/99/54/49/499995449.db2.gz NAWCLXRKHNZZJM-OALUTQOASA-N 1 2 352.482 3.285 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000413577485 499995452 /nfs/dbraw/zinc/99/54/52/499995452.db2.gz NAWCLXRKHNZZJM-OALUTQOASA-N 1 2 352.482 3.285 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c(C#N)cn1 ZINC000425212243 500044545 /nfs/dbraw/zinc/04/45/45/500044545.db2.gz ZKWUZDZWEVLQCV-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425506101 500126973 /nfs/dbraw/zinc/12/69/73/500126973.db2.gz DTIVTKIQPCOMOG-ZWKOTPCHSA-N 1 2 374.362 3.364 20 30 FGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425506101 500126975 /nfs/dbraw/zinc/12/69/75/500126975.db2.gz DTIVTKIQPCOMOG-ZWKOTPCHSA-N 1 2 374.362 3.364 20 30 FGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000429861866 500157954 /nfs/dbraw/zinc/15/79/54/500157954.db2.gz BYZJGRVMTBSFNA-UHFFFAOYSA-N 1 2 350.890 3.465 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425610428 500158942 /nfs/dbraw/zinc/15/89/42/500158942.db2.gz MDZNZNVAXYBXPR-ZWKOTPCHSA-N 1 2 355.486 3.022 20 30 FGEDLO Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(C#N)c[nH+]1 ZINC000579466396 506181964 /nfs/dbraw/zinc/18/19/64/506181964.db2.gz YFXVLFICWBSFRE-DYESRHJHSA-N 1 2 372.432 3.265 20 30 FGEDLO C=CCN1C(=O)N(Cc2[nH+]ccn2CC(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431212942 500349909 /nfs/dbraw/zinc/34/99/09/500349909.db2.gz NNMAPNMYVFUUFB-GOSISDBHSA-N 1 2 366.465 3.101 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419638414 500386657 /nfs/dbraw/zinc/38/66/57/500386657.db2.gz GUEBPEYUMKGGAY-HNNXBMFYSA-N 1 2 360.889 3.422 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c2ccccc2[nH+]1 ZINC000427747179 500426832 /nfs/dbraw/zinc/42/68/32/500426832.db2.gz SZZZSCAWLDXOJC-UHFFFAOYSA-N 1 2 355.394 3.031 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000428013025 500458158 /nfs/dbraw/zinc/45/81/58/500458158.db2.gz WRNMFNKQMBJIOC-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO CC1(C)CCCc2cc(C#N)c(N3CC[NH+](Cc4ccco4)CC3)nc21 ZINC000428112122 500470262 /nfs/dbraw/zinc/47/02/62/500470262.db2.gz XQHYMYNUPODKNR-UHFFFAOYSA-N 1 2 350.466 3.482 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)cc(OC)c1 ZINC000428243381 500486154 /nfs/dbraw/zinc/48/61/54/500486154.db2.gz WZOADKCDMRXPPR-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCOCC1 ZINC000424537422 500514223 /nfs/dbraw/zinc/51/42/23/500514223.db2.gz PTJHPDWHIKORIC-TWGQIWQCSA-N 1 2 354.494 3.217 20 30 FGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000428857826 500567048 /nfs/dbraw/zinc/56/70/48/500567048.db2.gz UBQHJXHVBZMDRK-CYBMUJFWSA-N 1 2 373.678 3.244 20 30 FGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000428857826 500567050 /nfs/dbraw/zinc/56/70/50/500567050.db2.gz UBQHJXHVBZMDRK-CYBMUJFWSA-N 1 2 373.678 3.244 20 30 FGEDLO C=C[C@H](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442841401 500633186 /nfs/dbraw/zinc/63/31/86/500633186.db2.gz MOIFYWNKIMLGCF-VGOFRKELSA-N 1 2 372.509 3.269 20 30 FGEDLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)C[C@@H](C)O1 ZINC000442979902 500658435 /nfs/dbraw/zinc/65/84/35/500658435.db2.gz PWQORABQLVSEPB-HUUCEWRRSA-N 1 2 365.433 3.125 20 30 FGEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000433306424 500667879 /nfs/dbraw/zinc/66/78/79/500667879.db2.gz RCSYTZFHGWTCOX-LBPRGKRZSA-N 1 2 352.276 3.108 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000433306424 500667880 /nfs/dbraw/zinc/66/78/80/500667880.db2.gz RCSYTZFHGWTCOX-LBPRGKRZSA-N 1 2 352.276 3.108 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000447830472 500672166 /nfs/dbraw/zinc/67/21/66/500672166.db2.gz IXZOJDPIWWNLOR-LJQANCHMSA-N 1 2 373.497 3.079 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000447830472 500672168 /nfs/dbraw/zinc/67/21/68/500672168.db2.gz IXZOJDPIWWNLOR-LJQANCHMSA-N 1 2 373.497 3.079 20 30 FGEDLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000433788182 500744802 /nfs/dbraw/zinc/74/48/02/500744802.db2.gz CJBYNSIMANDINI-CQSZACIVSA-N 1 2 350.401 3.358 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443657319 500750850 /nfs/dbraw/zinc/75/08/50/500750850.db2.gz NHFODVCZXXPTNY-JKSUJKDBSA-N 1 2 363.889 3.191 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443657319 500750852 /nfs/dbraw/zinc/75/08/52/500750852.db2.gz NHFODVCZXXPTNY-JKSUJKDBSA-N 1 2 363.889 3.191 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000448414463 500759117 /nfs/dbraw/zinc/75/91/17/500759117.db2.gz NCMCXDSDVAQNDM-UHFFFAOYSA-N 1 2 364.367 3.348 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(C)C)n1 ZINC000448576901 500775725 /nfs/dbraw/zinc/77/57/25/500775725.db2.gz FXROLHMDZJRGNU-UHFFFAOYSA-N 1 2 362.477 3.343 20 30 FGEDLO N#CCCCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000443921890 500778275 /nfs/dbraw/zinc/77/82/75/500778275.db2.gz PBDPDPQLYOVOOZ-UHFFFAOYSA-N 1 2 373.460 3.302 20 30 FGEDLO COc1ccc(-n2cc(C[NH+]3CCN(c4ccccc4C#N)CC3)cn2)cc1 ZINC000449006777 500894058 /nfs/dbraw/zinc/89/40/58/500894058.db2.gz AFODHYGCRUOESU-UHFFFAOYSA-N 1 2 373.460 3.075 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000440484284 501013577 /nfs/dbraw/zinc/01/35/77/501013577.db2.gz HWSDBFQAVOFELQ-BQIYRTECSA-N 1 2 371.529 3.351 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cn1 ZINC000440484284 501013580 /nfs/dbraw/zinc/01/35/80/501013580.db2.gz HWSDBFQAVOFELQ-BQIYRTECSA-N 1 2 371.529 3.351 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445814373 501036384 /nfs/dbraw/zinc/03/63/84/501036384.db2.gz WFWXQFDGWHZGBM-HSZRJFAPSA-N 1 2 371.488 3.314 20 30 FGEDLO CC[C@@H](F)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000440794995 501049002 /nfs/dbraw/zinc/04/90/02/501049002.db2.gz SIWWYOQNGZIZAP-HZPDHXFCSA-N 1 2 354.267 3.379 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441066340 501082923 /nfs/dbraw/zinc/08/29/23/501082923.db2.gz OOVIRMORNRATTF-MRXNPFEDSA-N 1 2 355.482 3.175 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000441066340 501082927 /nfs/dbraw/zinc/08/29/27/501082927.db2.gz OOVIRMORNRATTF-MRXNPFEDSA-N 1 2 355.482 3.175 20 30 FGEDLO COc1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609941 501166173 /nfs/dbraw/zinc/16/61/73/501166173.db2.gz FQGIJJHQQAJHPS-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609941 501166175 /nfs/dbraw/zinc/16/61/75/501166175.db2.gz FQGIJJHQQAJHPS-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO CCn1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1C ZINC000446917031 501181542 /nfs/dbraw/zinc/18/15/42/501181542.db2.gz URQAMQBTGJLUQU-UHFFFAOYSA-N 1 2 357.889 3.367 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CNc2ccc(C#N)cc2)c(C)c1 ZINC000442180852 501205169 /nfs/dbraw/zinc/20/51/69/501205169.db2.gz IZBABJORLPZDPB-NRFANRHFSA-N 1 2 373.460 3.341 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451025497 501240122 /nfs/dbraw/zinc/24/01/22/501240122.db2.gz JXIAICAGZPSBEY-KRWDZBQOSA-N 1 2 366.440 3.346 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451025497 501240123 /nfs/dbraw/zinc/24/01/23/501240123.db2.gz JXIAICAGZPSBEY-KRWDZBQOSA-N 1 2 366.440 3.346 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452065960 501428106 /nfs/dbraw/zinc/42/81/06/501428106.db2.gz JEILYVFYDDRAMK-KBXCAEBGSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1C#N ZINC000452065960 501428108 /nfs/dbraw/zinc/42/81/08/501428108.db2.gz JEILYVFYDDRAMK-KBXCAEBGSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000455979878 501430638 /nfs/dbraw/zinc/43/06/38/501430638.db2.gz FFTCDUBFAIZSOX-UHFFFAOYSA-N 1 2 351.332 3.289 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000456377943 501512737 /nfs/dbraw/zinc/51/27/37/501512737.db2.gz IIWVLAOPMRAZMF-AWEZNQCLSA-N 1 2 364.405 3.438 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456401708 501518050 /nfs/dbraw/zinc/51/80/50/501518050.db2.gz VZKGDTNIXQIGJL-SUMWQHHRSA-N 1 2 362.389 3.363 20 30 FGEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000458982330 501571012 /nfs/dbraw/zinc/57/10/12/501571012.db2.gz AMTOHLUMGHPGMK-GJZGRUSLSA-N 1 2 368.522 3.218 20 30 FGEDLO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000458982330 501571014 /nfs/dbraw/zinc/57/10/14/501571014.db2.gz AMTOHLUMGHPGMK-GJZGRUSLSA-N 1 2 368.522 3.218 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459354482 501637842 /nfs/dbraw/zinc/63/78/42/501637842.db2.gz VGEYGIDPZABBHO-UHFFFAOYSA-N 1 2 370.453 3.135 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000459405309 501647944 /nfs/dbraw/zinc/64/79/44/501647944.db2.gz RZQDAPHDDDFGDZ-UHFFFAOYSA-N 1 2 353.382 3.106 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000459642287 501691923 /nfs/dbraw/zinc/69/19/23/501691923.db2.gz ZDSBTLPLLHUVIG-SNVBAGLBSA-N 1 2 360.870 3.446 20 30 FGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000470828137 501819703 /nfs/dbraw/zinc/81/97/03/501819703.db2.gz YWCNAMSNQPREJT-INIZCTEOSA-N 1 2 359.364 3.204 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000470911707 501852756 /nfs/dbraw/zinc/85/27/56/501852756.db2.gz XIMJQUMAFYXXPQ-UHFFFAOYSA-N 1 2 355.463 3.087 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000470911707 501852759 /nfs/dbraw/zinc/85/27/59/501852759.db2.gz XIMJQUMAFYXXPQ-UHFFFAOYSA-N 1 2 355.463 3.087 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000582534522 506279485 /nfs/dbraw/zinc/27/94/85/506279485.db2.gz DILWGAQPDJLAHA-PMACEKPBSA-N 1 2 357.498 3.186 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000582534522 506279489 /nfs/dbraw/zinc/27/94/89/506279489.db2.gz DILWGAQPDJLAHA-PMACEKPBSA-N 1 2 357.498 3.186 20 30 FGEDLO N#CCCN(CCCc1cccc2ccccc21)CC[NH+]1CCOCC1 ZINC000471216303 501957845 /nfs/dbraw/zinc/95/78/45/501957845.db2.gz QDUITPJXCIUAEH-UHFFFAOYSA-N 1 2 351.494 3.320 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000478408732 501971632 /nfs/dbraw/zinc/97/16/32/501971632.db2.gz VYSBWQAGGIKMHZ-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000478408732 501971640 /nfs/dbraw/zinc/97/16/40/501971640.db2.gz VYSBWQAGGIKMHZ-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474901779 501985741 /nfs/dbraw/zinc/98/57/41/501985741.db2.gz LGYDAELYSVGTPO-IBGZPJMESA-N 1 2 366.465 3.023 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(C#N)ccc3C)cc2)c1C ZINC000461192064 502033397 /nfs/dbraw/zinc/03/33/97/502033397.db2.gz ZWIJAMBKJGMVBR-UHFFFAOYSA-N 1 2 366.446 3.470 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(F)F)CC1 ZINC000486141854 502060752 /nfs/dbraw/zinc/06/07/52/502060752.db2.gz ZJWKZLLOKWBSDH-SNVBAGLBSA-N 1 2 353.438 3.413 20 30 FGEDLO Cn1cc(C#N)cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000471673200 502104894 /nfs/dbraw/zinc/10/48/94/502104894.db2.gz DAQAXLTVZJHTFO-QGZVFWFLSA-N 1 2 374.847 3.256 20 30 FGEDLO COCc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000475345433 502142808 /nfs/dbraw/zinc/14/28/08/502142808.db2.gz JBSLUCFWSMUWJI-LJQANCHMSA-N 1 2 359.857 3.462 20 30 FGEDLO Cn1ncc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)c1C#N ZINC000475458035 502178360 /nfs/dbraw/zinc/17/83/60/502178360.db2.gz PWPJZCWOEILQMN-UHFFFAOYSA-N 1 2 353.769 3.385 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476069130 502375713 /nfs/dbraw/zinc/37/57/13/502375713.db2.gz GPVDVARUTZBDSE-ICSRJNTNSA-N 1 2 362.477 3.374 20 30 FGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000476228131 502421197 /nfs/dbraw/zinc/42/11/97/502421197.db2.gz IDYPNKKTXFJCPS-HXUWFJFHSA-N 1 2 363.461 3.124 20 30 FGEDLO CN(C(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)C1(C#N)CCCCC1 ZINC000469450287 502423600 /nfs/dbraw/zinc/42/36/00/502423600.db2.gz MXASJSGMSOMHAS-HNNXBMFYSA-N 1 2 361.436 3.439 20 30 FGEDLO CN(C(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)C1(C#N)CCCCC1 ZINC000469450287 502423606 /nfs/dbraw/zinc/42/36/06/502423606.db2.gz MXASJSGMSOMHAS-HNNXBMFYSA-N 1 2 361.436 3.439 20 30 FGEDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483539203 502425737 /nfs/dbraw/zinc/42/57/37/502425737.db2.gz DNMXZRYWTFTIMR-UHFFFAOYSA-N 1 2 352.865 3.078 20 30 FGEDLO Cc1cccc2[nH+]c(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)cn21 ZINC000479988578 502438539 /nfs/dbraw/zinc/43/85/39/502438539.db2.gz GMIUAVODNVVZHB-UHFFFAOYSA-N 1 2 370.460 3.474 20 30 FGEDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1Br ZINC000469496065 502440682 /nfs/dbraw/zinc/44/06/82/502440682.db2.gz PFRAPDLHZBJBCP-UHFFFAOYSA-N 1 2 374.238 3.340 20 30 FGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000483640533 502449384 /nfs/dbraw/zinc/44/93/84/502449384.db2.gz YIJPRECBDUBRTE-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)ccc1C#N ZINC000487895391 502558797 /nfs/dbraw/zinc/55/87/97/502558797.db2.gz IQPZYGOQNWTAGY-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1Br ZINC000487894551 502558855 /nfs/dbraw/zinc/55/88/55/502558855.db2.gz HYKJPALRAGJKEJ-UHFFFAOYSA-N 1 2 374.242 3.339 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1)[NH+]1CCOCC1 ZINC000602835525 506320906 /nfs/dbraw/zinc/32/09/06/506320906.db2.gz ZFHDXPAIVURSML-AYBZRNKSSA-N 1 2 356.470 3.236 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)N1CC#N ZINC000602844549 506324303 /nfs/dbraw/zinc/32/43/03/506324303.db2.gz CUXRSRXEYCKDJM-IYBDPMFKSA-N 1 2 365.437 3.324 20 30 FGEDLO Cc1cc(N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000513108503 502853906 /nfs/dbraw/zinc/85/39/06/502853906.db2.gz OWSNLIWSQDELRQ-UHFFFAOYSA-N 1 2 372.517 3.070 20 30 FGEDLO C[N@@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H](O)CC(C)(C)C#N ZINC000602894196 506340953 /nfs/dbraw/zinc/34/09/53/506340953.db2.gz WCEGHWTULKTECS-GFCCVEGCSA-N 1 2 354.376 3.314 20 30 FGEDLO C[N@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H](O)CC(C)(C)C#N ZINC000602894196 506340957 /nfs/dbraw/zinc/34/09/57/506340957.db2.gz WCEGHWTULKTECS-GFCCVEGCSA-N 1 2 354.376 3.314 20 30 FGEDLO Cc1cncc(-c2nc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)no2)c1 ZINC000602905623 506344827 /nfs/dbraw/zinc/34/48/27/506344827.db2.gz HEMCEHWFBMJPDK-UHFFFAOYSA-N 1 2 360.421 3.086 20 30 FGEDLO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513655052 502991335 /nfs/dbraw/zinc/99/13/35/502991335.db2.gz OXGWUWVHVBIURM-VGOFRKELSA-N 1 2 361.445 3.319 20 30 FGEDLO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513655052 502991341 /nfs/dbraw/zinc/99/13/41/502991341.db2.gz OXGWUWVHVBIURM-VGOFRKELSA-N 1 2 361.445 3.319 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)cc1 ZINC000506112911 503050189 /nfs/dbraw/zinc/05/01/89/503050189.db2.gz KDSNSMIZPLBQDZ-LJQANCHMSA-N 1 2 366.371 3.018 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000506113243 503050858 /nfs/dbraw/zinc/05/08/58/503050858.db2.gz QPOLIMUNHNSBTF-UHFFFAOYSA-N 1 2 357.461 3.062 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000510137537 503056928 /nfs/dbraw/zinc/05/69/28/503056928.db2.gz VRCHIVAIDMSHRI-UHFFFAOYSA-N 1 2 366.787 3.218 20 30 FGEDLO Cc1csc([C@H](C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000489899799 503060201 /nfs/dbraw/zinc/06/02/01/503060201.db2.gz VXNLHKMTVOFXRE-LLVKDONJSA-N 1 2 359.361 3.460 20 30 FGEDLO Cc1csc(C(C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000489899799 503060206 /nfs/dbraw/zinc/06/02/06/503060206.db2.gz VXNLHKMTVOFXRE-LLVKDONJSA-N 1 2 359.361 3.460 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000514704599 503172375 /nfs/dbraw/zinc/17/23/75/503172375.db2.gz IDGGAQABPKTYGH-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000506880908 503189142 /nfs/dbraw/zinc/18/91/42/503189142.db2.gz LCYNOIXMSJOQKV-UHFFFAOYSA-N 1 2 350.378 3.012 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000502542888 503221225 /nfs/dbraw/zinc/22/12/25/503221225.db2.gz GGDNDFZEPCWITK-NRFANRHFSA-N 1 2 373.456 3.287 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000502542888 503221228 /nfs/dbraw/zinc/22/12/28/503221228.db2.gz GGDNDFZEPCWITK-NRFANRHFSA-N 1 2 373.456 3.287 20 30 FGEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCNc1cccc[nH+]1 ZINC000507117214 503233779 /nfs/dbraw/zinc/23/37/79/503233779.db2.gz PJRRXMOPKCMHBY-UHFFFAOYSA-N 1 2 355.348 3.049 20 30 FGEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000507526208 503315428 /nfs/dbraw/zinc/31/54/28/503315428.db2.gz LJLYJEGHMUGZLJ-UHFFFAOYSA-N 1 2 363.461 3.345 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CC)OC[C@H]2CC)cc1 ZINC000593058512 506365273 /nfs/dbraw/zinc/36/52/73/506365273.db2.gz NHXCEGCCPWSNNJ-MJGOQNOKSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](CC)OC[C@H]2CC)cc1 ZINC000593058512 506365278 /nfs/dbraw/zinc/36/52/78/506365278.db2.gz NHXCEGCCPWSNNJ-MJGOQNOKSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOCCOC1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000499207246 503355757 /nfs/dbraw/zinc/35/57/57/503355757.db2.gz CNSWEQRJSWJOSM-UHFFFAOYSA-N 1 2 366.461 3.375 20 30 FGEDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000508100680 503430921 /nfs/dbraw/zinc/43/09/21/503430921.db2.gz HIIPZZRGOGZQJK-UHFFFAOYSA-N 1 2 370.478 3.443 20 30 FGEDLO CC1CCC(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000516245810 503480538 /nfs/dbraw/zinc/48/05/38/503480538.db2.gz WELYKEHZRHQALM-UHFFFAOYSA-N 1 2 354.498 3.212 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000512201199 503485243 /nfs/dbraw/zinc/48/52/43/503485243.db2.gz YKHGAPZJAIBVNH-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000512201199 503485246 /nfs/dbraw/zinc/48/52/46/503485246.db2.gz YKHGAPZJAIBVNH-AWEZNQCLSA-N 1 2 373.409 3.085 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(F)c2)c(Br)c1 ZINC000494260716 503515220 /nfs/dbraw/zinc/51/52/20/503515220.db2.gz YJVJWFZAGYVEIB-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)c(Br)c1 ZINC000494260716 503515222 /nfs/dbraw/zinc/51/52/22/503515222.db2.gz YJVJWFZAGYVEIB-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500025035 503535679 /nfs/dbraw/zinc/53/56/79/503535679.db2.gz MQRDSQKPQJZWRF-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500025035 503535682 /nfs/dbraw/zinc/53/56/82/503535682.db2.gz MQRDSQKPQJZWRF-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000512428456 503548318 /nfs/dbraw/zinc/54/83/18/503548318.db2.gz UTYREFATTBDJPD-GOSISDBHSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000512428456 503548322 /nfs/dbraw/zinc/54/83/22/503548322.db2.gz UTYREFATTBDJPD-GOSISDBHSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512434041 503549983 /nfs/dbraw/zinc/54/99/83/503549983.db2.gz SGZMRXJOXAYKLO-HNNXBMFYSA-N 1 2 360.429 3.167 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512434041 503549985 /nfs/dbraw/zinc/54/99/85/503549985.db2.gz SGZMRXJOXAYKLO-HNNXBMFYSA-N 1 2 360.429 3.167 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000512517698 503574564 /nfs/dbraw/zinc/57/45/64/503574564.db2.gz ZXRWUOVLRXQBAJ-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000512517698 503574569 /nfs/dbraw/zinc/57/45/69/503574569.db2.gz ZXRWUOVLRXQBAJ-UHFFFAOYSA-N 1 2 365.481 3.359 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(C(C)C)c1 ZINC000512521191 503575790 /nfs/dbraw/zinc/57/57/90/503575790.db2.gz ALHPTTIBASOENY-UHFFFAOYSA-N 1 2 357.483 3.414 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(C(C)C)c1 ZINC000512521191 503575794 /nfs/dbraw/zinc/57/57/94/503575794.db2.gz ALHPTTIBASOENY-UHFFFAOYSA-N 1 2 357.483 3.414 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000516850408 503599631 /nfs/dbraw/zinc/59/96/31/503599631.db2.gz HXWLBVFEYQWKDC-OAHLLOKOSA-N 1 2 356.813 3.486 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000512917099 503655918 /nfs/dbraw/zinc/65/59/18/503655918.db2.gz NVCCDTHBXKWSRM-UHFFFAOYSA-N 1 2 360.392 3.231 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000527049839 503659751 /nfs/dbraw/zinc/65/97/51/503659751.db2.gz AXQGCJLCCQPEAB-CQSZACIVSA-N 1 2 359.420 3.395 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000533031553 503707039 /nfs/dbraw/zinc/70/70/39/503707039.db2.gz ZIAPNBQNKHJZFE-SFHVURJKSA-N 1 2 362.477 3.489 20 30 FGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000533117027 503736901 /nfs/dbraw/zinc/73/69/01/503736901.db2.gz KNLATKWMSUBPJV-JOCHJYFZSA-N 1 2 367.452 3.490 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000540488092 503788970 /nfs/dbraw/zinc/78/89/70/503788970.db2.gz KIWHVJBUSASELU-ICSRJNTNSA-N 1 2 359.514 3.412 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(C4CC4)n3)C2=O)cc1 ZINC000543729179 503869302 /nfs/dbraw/zinc/86/93/02/503869302.db2.gz UXRAZQPQBRSALN-QGZVFWFLSA-N 1 2 352.463 3.177 20 30 FGEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000537560886 503953379 /nfs/dbraw/zinc/95/33/79/503953379.db2.gz BSANLSRJROYSKR-UHFFFAOYSA-N 1 2 374.387 3.377 20 30 FGEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000537560886 503953383 /nfs/dbraw/zinc/95/33/83/503953383.db2.gz BSANLSRJROYSKR-UHFFFAOYSA-N 1 2 374.387 3.377 20 30 FGEDLO C=CC[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000537854078 504066570 /nfs/dbraw/zinc/06/65/70/504066570.db2.gz OXQJPAQENBVTAD-UHFFFAOYSA-N 1 2 357.767 3.485 20 30 FGEDLO C=CC[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000537854078 504066573 /nfs/dbraw/zinc/06/65/73/504066573.db2.gz OXQJPAQENBVTAD-UHFFFAOYSA-N 1 2 357.767 3.485 20 30 FGEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000541282421 504073883 /nfs/dbraw/zinc/07/38/83/504073883.db2.gz LTOBULBFGCTEPL-UHFFFAOYSA-N 1 2 353.853 3.364 20 30 FGEDLO C=CCN(CC(F)(F)F)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544522093 504161686 /nfs/dbraw/zinc/16/16/86/504161686.db2.gz IRADUPMRQAEUOG-UHFFFAOYSA-N 1 2 364.371 3.010 20 30 FGEDLO N#Cc1cccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000531390133 504290990 /nfs/dbraw/zinc/29/09/90/504290990.db2.gz YFSONNMWFZXNTL-KRWDZBQOSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1cccc(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000531390133 504290995 /nfs/dbraw/zinc/29/09/95/504290995.db2.gz YFSONNMWFZXNTL-KRWDZBQOSA-N 1 2 369.415 3.160 20 30 FGEDLO Cc1oc(NC(=O)CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c(C#N)c1C ZINC000548022093 504301030 /nfs/dbraw/zinc/30/10/30/504301030.db2.gz GHSLTEQFXUXZFX-KRWDZBQOSA-N 1 2 367.453 3.146 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528681339 504328694 /nfs/dbraw/zinc/32/86/94/504328694.db2.gz RPHGBMWUYOCJHA-OAHLLOKOSA-N 1 2 368.868 3.055 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3c[nH+]c4ccc(Cl)cn34)n2)c(F)c1 ZINC000542019802 504338612 /nfs/dbraw/zinc/33/86/12/504338612.db2.gz NCCOWSIWQGAYAR-UHFFFAOYSA-N 1 2 366.787 3.218 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1C ZINC000545224924 504405220 /nfs/dbraw/zinc/40/52/20/504405220.db2.gz XUVOGKWWEZVKSL-GOSISDBHSA-N 1 2 372.431 3.499 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000535840953 504562158 /nfs/dbraw/zinc/56/21/58/504562158.db2.gz OEZISAMQUPXYHH-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000535840953 504562162 /nfs/dbraw/zinc/56/21/62/504562162.db2.gz OEZISAMQUPXYHH-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000548798780 504571322 /nfs/dbraw/zinc/57/13/22/504571322.db2.gz BRXPZKVXWPTJOK-UHFFFAOYSA-N 1 2 360.461 3.066 20 30 FGEDLO N#Cc1cnc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000548884010 504604133 /nfs/dbraw/zinc/60/41/33/504604133.db2.gz BOYBLFGLCOCFIQ-AWEZNQCLSA-N 1 2 369.856 3.159 20 30 FGEDLO COc1cc(C)nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000536045424 504617011 /nfs/dbraw/zinc/61/70/11/504617011.db2.gz JIFXQLHMMUVJSF-UHFFFAOYSA-N 1 2 373.460 3.141 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000532413893 504641098 /nfs/dbraw/zinc/64/10/98/504641098.db2.gz ABZIDVHLNGKXOZ-SJLPKXTDSA-N 1 2 350.528 3.448 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)Cc1cccs1 ZINC000532413893 504641101 /nfs/dbraw/zinc/64/11/01/504641101.db2.gz ABZIDVHLNGKXOZ-SJLPKXTDSA-N 1 2 350.528 3.448 20 30 FGEDLO Cc1ccc2[nH+]cc(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)n2c1 ZINC000542924824 504660717 /nfs/dbraw/zinc/66/07/17/504660717.db2.gz NAKYOFSYSUOGFV-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000542949696 504670264 /nfs/dbraw/zinc/67/02/64/504670264.db2.gz QADSZAPDJWQLDO-UHFFFAOYSA-N 1 2 357.255 3.351 20 30 FGEDLO COC(=O)c1cccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1C#N ZINC000539791125 504687892 /nfs/dbraw/zinc/68/78/92/504687892.db2.gz AJBYBXNARDHBSI-UHFFFAOYSA-N 1 2 372.428 3.089 20 30 FGEDLO N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532902756 504772260 /nfs/dbraw/zinc/77/22/60/504772260.db2.gz NPMOBNTZAITEIN-IBGZPJMESA-N 1 2 370.384 3.091 20 30 FGEDLO N#Cc1ccnc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000559271846 504815707 /nfs/dbraw/zinc/81/57/07/504815707.db2.gz PCPQCZUWIZQXMI-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553371797 504896935 /nfs/dbraw/zinc/89/69/35/504896935.db2.gz VXUHKQNYRAVWMS-UHFFFAOYSA-N 1 2 371.872 3.166 20 30 FGEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000559632510 504900950 /nfs/dbraw/zinc/90/09/50/504900950.db2.gz HDIQCFRJKCFPBH-UHFFFAOYSA-N 1 2 366.446 3.030 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000553626179 504967067 /nfs/dbraw/zinc/96/70/67/504967067.db2.gz MTLUTMCXWDXQPN-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO COc1ccccc1/C=C\C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000565747690 504975117 /nfs/dbraw/zinc/97/51/17/504975117.db2.gz PJSKNTHAYNACDR-ALCCZGGFSA-N 1 2 354.479 3.167 20 30 FGEDLO C=CCC[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000563241210 505085451 /nfs/dbraw/zinc/08/54/51/505085451.db2.gz UZDXNNXGTBBTAS-ROUUACIJSA-N 1 2 366.465 3.287 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554237182 505122802 /nfs/dbraw/zinc/12/28/02/505122802.db2.gz KKGGIIZELDHHFX-CYBMUJFWSA-N 1 2 365.271 3.484 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554237182 505122807 /nfs/dbraw/zinc/12/28/07/505122807.db2.gz KKGGIIZELDHHFX-CYBMUJFWSA-N 1 2 365.271 3.484 20 30 FGEDLO C=CCOc1ccc(CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000563398946 505132835 /nfs/dbraw/zinc/13/28/35/505132835.db2.gz SUOPLCZDAMATMD-HNNXBMFYSA-N 1 2 367.371 3.337 20 30 FGEDLO Cc1cc(Nc2nc3c(cc2C#N)COCC3)c[nH+]c1N1CCCC[C@@H]1C ZINC000566543426 505200824 /nfs/dbraw/zinc/20/08/24/505200824.db2.gz WBQWFBHCMMQZPD-HNNXBMFYSA-N 1 2 363.465 3.274 20 30 FGEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000563660950 505204280 /nfs/dbraw/zinc/20/42/80/505204280.db2.gz DMQYTYCNESTIQH-UHFFFAOYSA-N 1 2 373.416 3.468 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000561350575 505322665 /nfs/dbraw/zinc/32/26/65/505322665.db2.gz XSMGWKUHUKPUOS-GBESFXJTSA-N 1 2 363.465 3.353 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555074085 505341911 /nfs/dbraw/zinc/34/19/11/505341911.db2.gz LRCDOIJTMGKZQP-STQMWFEESA-N 1 2 369.437 3.333 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555074085 505341915 /nfs/dbraw/zinc/34/19/15/505341915.db2.gz LRCDOIJTMGKZQP-STQMWFEESA-N 1 2 369.437 3.333 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)ccc1Cl ZINC000555077512 505343638 /nfs/dbraw/zinc/34/36/38/505343638.db2.gz UMASFVVKHCESOK-AWEZNQCLSA-N 1 2 371.815 3.209 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)ccc1Cl ZINC000555077512 505343640 /nfs/dbraw/zinc/34/36/40/505343640.db2.gz UMASFVVKHCESOK-AWEZNQCLSA-N 1 2 371.815 3.209 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1 ZINC000555091742 505347028 /nfs/dbraw/zinc/34/70/28/505347028.db2.gz FYHBBVLMWAKGDQ-OIISXLGYSA-N 1 2 354.372 3.345 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1 ZINC000555091742 505347029 /nfs/dbraw/zinc/34/70/29/505347029.db2.gz FYHBBVLMWAKGDQ-OIISXLGYSA-N 1 2 354.372 3.345 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]2COC)cc1OC ZINC000552084221 505394028 /nfs/dbraw/zinc/39/40/28/505394028.db2.gz WAXKVQMZUHLGGT-CYBMUJFWSA-N 1 2 356.260 3.243 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]2COC)cc1OC ZINC000552084221 505394032 /nfs/dbraw/zinc/39/40/32/505394032.db2.gz WAXKVQMZUHLGGT-CYBMUJFWSA-N 1 2 356.260 3.243 20 30 FGEDLO N#C[C@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000564372312 505398076 /nfs/dbraw/zinc/39/80/76/505398076.db2.gz PGQFRAPJGUVJPK-QFIPXVFZSA-N 1 2 356.429 3.112 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564537520 505445555 /nfs/dbraw/zinc/44/55/55/505445555.db2.gz XGBRCIKHAVOZIT-HNNXBMFYSA-N 1 2 351.303 3.032 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000561866361 505454560 /nfs/dbraw/zinc/45/45/60/505454560.db2.gz SZLNOXNHXMGIJD-FQEVSTJZSA-N 1 2 350.466 3.090 20 30 FGEDLO C=CCn1c(-c2sccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558676014 505460748 /nfs/dbraw/zinc/46/07/48/505460748.db2.gz BEWCQPUBPPTOIF-UHFFFAOYSA-N 1 2 366.494 3.223 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000564916799 505557335 /nfs/dbraw/zinc/55/73/35/505557335.db2.gz SQNISINFTAPHHG-INIZCTEOSA-N 1 2 355.463 3.328 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000564916799 505557337 /nfs/dbraw/zinc/55/73/37/505557337.db2.gz SQNISINFTAPHHG-INIZCTEOSA-N 1 2 355.463 3.328 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC000567804112 505564365 /nfs/dbraw/zinc/56/43/65/505564365.db2.gz OUVYABHGLJJWHG-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccnc(C#N)c1 ZINC000603126333 506430268 /nfs/dbraw/zinc/43/02/68/506430268.db2.gz CQRZTYLTXXQOEP-UHFFFAOYSA-N 1 2 364.453 3.119 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)CC2 ZINC000599402980 506442702 /nfs/dbraw/zinc/44/27/02/506442702.db2.gz JACDHQOIBOQMGR-WMZOPIPTSA-N 1 2 350.466 3.433 20 30 FGEDLO Cc1cc(N(C)Cc2ccccn2)c(C#N)c(N(C)Cc2ccccn2)[nH+]1 ZINC000589111542 506445104 /nfs/dbraw/zinc/44/51/04/506445104.db2.gz VVUFADXJVRSXOW-UHFFFAOYSA-N 1 2 358.449 3.325 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)CC2 ZINC000599423455 506449378 /nfs/dbraw/zinc/44/93/78/506449378.db2.gz YDRRKOVDFCUGEI-SWLSCSKDSA-N 1 2 363.248 3.442 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Cl ZINC000582868444 506462533 /nfs/dbraw/zinc/46/25/33/506462533.db2.gz BYWOWBDEDSQMMV-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Cl ZINC000582868444 506462539 /nfs/dbraw/zinc/46/25/39/506462539.db2.gz BYWOWBDEDSQMMV-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599582287 506509280 /nfs/dbraw/zinc/50/92/80/506509280.db2.gz MNGWRZCGXBEBRA-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599582287 506509283 /nfs/dbraw/zinc/50/92/83/506509283.db2.gz MNGWRZCGXBEBRA-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1C#N ZINC000599590083 506516492 /nfs/dbraw/zinc/51/64/92/506516492.db2.gz OSPXJMQXEFTWQU-HOCLYGCPSA-N 1 2 372.465 3.145 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1C#N ZINC000599590083 506516502 /nfs/dbraw/zinc/51/65/02/506516502.db2.gz OSPXJMQXEFTWQU-HOCLYGCPSA-N 1 2 372.465 3.145 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cn2)c1 ZINC000589320626 506516705 /nfs/dbraw/zinc/51/67/05/506516705.db2.gz BIPUNELWSSFFNF-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cn2)c1 ZINC000589320626 506516713 /nfs/dbraw/zinc/51/67/13/506516713.db2.gz BIPUNELWSSFFNF-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000589410511 506540187 /nfs/dbraw/zinc/54/01/87/506540187.db2.gz PTRBNQWGRYBLGL-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000589410511 506540197 /nfs/dbraw/zinc/54/01/97/506540197.db2.gz PTRBNQWGRYBLGL-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C2 ZINC000599677551 506575025 /nfs/dbraw/zinc/57/50/25/506575025.db2.gz LKKKLPZNKNHQGF-UHFFFAOYSA-N 1 2 363.465 3.061 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C2 ZINC000599677551 506575028 /nfs/dbraw/zinc/57/50/28/506575028.db2.gz LKKKLPZNKNHQGF-UHFFFAOYSA-N 1 2 363.465 3.061 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC2(CCC2)O1 ZINC000583083594 506581766 /nfs/dbraw/zinc/58/17/66/506581766.db2.gz XHALOOAAAQYBRJ-MRXNPFEDSA-N 1 2 351.450 3.381 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC2(CCC2)O1 ZINC000583083594 506581778 /nfs/dbraw/zinc/58/17/78/506581778.db2.gz XHALOOAAAQYBRJ-MRXNPFEDSA-N 1 2 351.450 3.381 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000603745864 506609418 /nfs/dbraw/zinc/60/94/18/506609418.db2.gz USNPKDSTYLVERX-HLIPFELVSA-N 1 2 354.498 3.210 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc4ccccc4o3)CC2)cc1 ZINC000603825063 506626246 /nfs/dbraw/zinc/62/62/46/506626246.db2.gz QFZBWIOQYUCZNO-UHFFFAOYSA-N 1 2 374.444 3.332 20 30 FGEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000603903079 506653767 /nfs/dbraw/zinc/65/37/67/506653767.db2.gz MLEQLUAOHMGYIR-HNNXBMFYSA-N 1 2 369.856 3.128 20 30 FGEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000603903079 506653772 /nfs/dbraw/zinc/65/37/72/506653772.db2.gz MLEQLUAOHMGYIR-HNNXBMFYSA-N 1 2 369.856 3.128 20 30 FGEDLO CC(C)Cc1nsc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593515239 506666203 /nfs/dbraw/zinc/66/62/03/506666203.db2.gz LBSAGEHQSJNLKD-UHFFFAOYSA-N 1 2 355.511 3.107 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c1C#N ZINC000608976909 506757503 /nfs/dbraw/zinc/75/75/03/506757503.db2.gz HYUMCNHEDDIXNF-CQSZACIVSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c1C#N ZINC000608976909 506757506 /nfs/dbraw/zinc/75/75/06/506757506.db2.gz HYUMCNHEDDIXNF-CQSZACIVSA-N 1 2 358.486 3.141 20 30 FGEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000597115083 506782621 /nfs/dbraw/zinc/78/26/21/506782621.db2.gz GJGILHVDDBWSNX-IBGZPJMESA-N 1 2 369.900 3.333 20 30 FGEDLO N#CCn1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc2ccccc21 ZINC000609163195 506799093 /nfs/dbraw/zinc/79/90/93/506799093.db2.gz WDCYYTZIWDFQJS-UHFFFAOYSA-N 1 2 369.428 3.340 20 30 FGEDLO N#CCn1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc2ccccc21 ZINC000609165764 506800882 /nfs/dbraw/zinc/80/08/82/506800882.db2.gz SJITVTKCMBTHDX-UHFFFAOYSA-N 1 2 373.460 3.480 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)CNc3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000590357844 506803083 /nfs/dbraw/zinc/80/30/83/506803083.db2.gz RTLKNUGLHUVFCM-UHFFFAOYSA-N 1 2 359.433 3.280 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000600166906 506818144 /nfs/dbraw/zinc/81/81/44/506818144.db2.gz JQSGRMQPGFQQSV-FQEVSTJZSA-N 1 2 366.396 3.116 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000600166906 506818146 /nfs/dbraw/zinc/81/81/46/506818146.db2.gz JQSGRMQPGFQQSV-FQEVSTJZSA-N 1 2 366.396 3.116 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597183621 506820678 /nfs/dbraw/zinc/82/06/78/506820678.db2.gz NQEUHNWNNLYBPY-HYXAFXHYSA-N 1 2 354.435 3.363 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593977106 506861357 /nfs/dbraw/zinc/86/13/57/506861357.db2.gz WEBXPIIEMAVLRV-QGZVFWFLSA-N 1 2 363.461 3.208 20 30 FGEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000609416926 506877177 /nfs/dbraw/zinc/87/71/77/506877177.db2.gz IDHYQLPZJWLHPM-MAUKXSAKSA-N 1 2 374.916 3.029 20 30 FGEDLO Cc1cnc(OC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)nc1 ZINC000594021804 506889345 /nfs/dbraw/zinc/88/93/45/506889345.db2.gz ZKHMCDRJLIRMMM-UHFFFAOYSA-N 1 2 374.391 3.302 20 30 FGEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000609576819 506929371 /nfs/dbraw/zinc/92/93/71/506929371.db2.gz AQFDOVIZDODZFG-FQEVSTJZSA-N 1 2 364.449 3.180 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C(N)=O)cc1 ZINC000609676619 506973151 /nfs/dbraw/zinc/97/31/51/506973151.db2.gz VRJKWLGPNOHOAP-FQEVSTJZSA-N 1 2 358.401 3.062 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1 ZINC000591025911 507083456 /nfs/dbraw/zinc/08/34/56/507083456.db2.gz GQQBWACLACIWHY-QGZVFWFLSA-N 1 2 373.453 3.056 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1C ZINC000591041328 507089178 /nfs/dbraw/zinc/08/91/78/507089178.db2.gz HAPATFNYRHJUBI-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C3CCC3)C2)c1C ZINC000591041328 507089187 /nfs/dbraw/zinc/08/91/87/507089187.db2.gz HAPATFNYRHJUBI-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO CCc1[nH+]c2cc(CNc3nc4c(cc3C#N)COCC4)ccc2n1C1CC1 ZINC000584094298 507148063 /nfs/dbraw/zinc/14/80/63/507148063.db2.gz UCJDHEXFQIMGKY-UHFFFAOYSA-N 1 2 373.460 3.307 20 30 FGEDLO CC(C)(NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000597948773 507193568 /nfs/dbraw/zinc/19/35/68/507193568.db2.gz MQCFBNHFXFFELL-UHFFFAOYSA-N 1 2 363.461 3.056 20 30 FGEDLO C=CCCSCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000597972828 507201179 /nfs/dbraw/zinc/20/11/79/507201179.db2.gz VXMHAQSSYVLRBS-KRWDZBQOSA-N 1 2 350.553 3.202 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610348001 507205280 /nfs/dbraw/zinc/20/52/80/507205280.db2.gz JFDZCBSPIAWFEF-IBGZPJMESA-N 1 2 359.433 3.075 20 30 FGEDLO COc1cc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)ccc1C#N ZINC000584201581 507208397 /nfs/dbraw/zinc/20/83/97/507208397.db2.gz ASTZUVPEKBAJES-UHFFFAOYSA-N 1 2 371.803 3.230 20 30 FGEDLO COCC[N@H+](CCC#N)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000610391681 507224090 /nfs/dbraw/zinc/22/40/90/507224090.db2.gz GQVVXQCDRGAAEA-KRWDZBQOSA-N 1 2 351.450 3.017 20 30 FGEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000610391681 507224095 /nfs/dbraw/zinc/22/40/95/507224095.db2.gz GQVVXQCDRGAAEA-KRWDZBQOSA-N 1 2 351.450 3.017 20 30 FGEDLO Cc1ccc([C@H]2OCCC[C@H]2Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000610430992 507236372 /nfs/dbraw/zinc/23/63/72/507236372.db2.gz BOBBTJHYMVYIBY-QZTJIDSGSA-N 1 2 362.437 3.381 20 30 FGEDLO N#CC1(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000594716939 507249929 /nfs/dbraw/zinc/24/99/29/507249929.db2.gz FIACVEQFWDIMSW-AWEZNQCLSA-N 1 2 350.260 3.039 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000610570559 507294890 /nfs/dbraw/zinc/29/48/90/507294890.db2.gz SUZYSCXISFQDOI-CQSZACIVSA-N 1 2 352.438 3.315 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610594193 507310248 /nfs/dbraw/zinc/31/02/48/507310248.db2.gz YHLLPEKVZUSTRF-VXKWHMMOSA-N 1 2 374.488 3.484 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000610668201 507338788 /nfs/dbraw/zinc/33/87/88/507338788.db2.gz YYNNSWKQEVRNPN-QGZVFWFLSA-N 1 2 366.371 3.284 20 30 FGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000614168451 507393041 /nfs/dbraw/zinc/39/30/41/507393041.db2.gz BNBXSNAEMFYNCH-UHFFFAOYSA-N 1 2 365.452 3.471 20 30 FGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)cc1 ZINC000614168451 507393051 /nfs/dbraw/zinc/39/30/51/507393051.db2.gz BNBXSNAEMFYNCH-UHFFFAOYSA-N 1 2 365.452 3.471 20 30 FGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000610992754 507470403 /nfs/dbraw/zinc/47/04/03/507470403.db2.gz HTDVBXISWYHNER-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000610992754 507470407 /nfs/dbraw/zinc/47/04/07/507470407.db2.gz HTDVBXISWYHNER-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592135518 507500997 /nfs/dbraw/zinc/50/09/97/507500997.db2.gz MYPGOLGWRYABCF-UHFFFAOYSA-N 1 2 350.806 3.202 20 30 FGEDLO CC(C)(C)c1csc([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589088 507507751 /nfs/dbraw/zinc/50/77/51/507507751.db2.gz CZAUDNRMGVOGIR-KBPBESRZSA-N 1 2 351.516 3.115 20 30 FGEDLO CC(C)(C)c1csc([C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589088 507507758 /nfs/dbraw/zinc/50/77/58/507507758.db2.gz CZAUDNRMGVOGIR-KBPBESRZSA-N 1 2 351.516 3.115 20 30 FGEDLO N#CC1(CC(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCCCC1 ZINC000598663837 507541367 /nfs/dbraw/zinc/54/13/67/507541367.db2.gz ZBMRBODYMZGWQV-UHFFFAOYSA-N 1 2 367.453 3.202 20 30 FGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000595525448 507544954 /nfs/dbraw/zinc/54/49/54/507544954.db2.gz GMTAITHIAQUJCW-UHFFFAOYSA-N 1 2 350.344 3.406 20 30 FGEDLO N#CCCN1CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000611174760 507546078 /nfs/dbraw/zinc/54/60/78/507546078.db2.gz PWURPVXWKWLOHF-UHFFFAOYSA-N 1 2 360.546 3.012 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180712 507549987 /nfs/dbraw/zinc/54/99/87/507549987.db2.gz QORCQCYYUNIJGX-CQSZACIVSA-N 1 2 363.408 3.061 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180633 507550141 /nfs/dbraw/zinc/55/01/41/507550141.db2.gz MWRUDMKCMYARJV-ZDUSSCGKSA-N 1 2 351.372 3.192 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000595616095 507594470 /nfs/dbraw/zinc/59/44/70/507594470.db2.gz PEAYWFKTXIRDQO-HNNXBMFYSA-N 1 2 355.438 3.292 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000595616095 507594474 /nfs/dbraw/zinc/59/44/74/507594474.db2.gz PEAYWFKTXIRDQO-HNNXBMFYSA-N 1 2 355.438 3.292 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598836590 507628702 /nfs/dbraw/zinc/62/87/02/507628702.db2.gz NPPVOEUKIWHGTJ-ICSRJNTNSA-N 1 2 355.869 3.432 20 30 FGEDLO Cc1cnc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 ZINC000595732804 507654058 /nfs/dbraw/zinc/65/40/58/507654058.db2.gz KHAIPYVMTWTSKL-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1cnc2c(ccc(Cl)c2Cl)c1 ZINC000592446711 507659448 /nfs/dbraw/zinc/65/94/48/507659448.db2.gz PAYFFDAHJJXFLM-LBPRGKRZSA-N 1 2 354.237 3.127 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cnc2c(ccc(Cl)c2Cl)c1 ZINC000592446711 507659453 /nfs/dbraw/zinc/65/94/53/507659453.db2.gz PAYFFDAHJJXFLM-LBPRGKRZSA-N 1 2 354.237 3.127 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(I)s2)c(F)c1 ZINC000586776727 507669012 /nfs/dbraw/zinc/66/90/12/507669012.db2.gz UKZGOAXEXJFTOY-UHFFFAOYSA-N 1 2 373.194 3.048 20 30 FGEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)n1 ZINC000587024743 507704046 /nfs/dbraw/zinc/70/40/46/507704046.db2.gz UGVCWFIGYNCFLZ-AWEZNQCLSA-N 1 2 364.478 3.150 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c2)c1 ZINC000587056223 507705150 /nfs/dbraw/zinc/70/51/50/507705150.db2.gz FJONBQCJWHCPFF-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832000 507706426 /nfs/dbraw/zinc/70/64/26/507706426.db2.gz OIBKEBBUTQTADM-RHSMWYFYSA-N 1 2 353.422 3.248 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832000 507706429 /nfs/dbraw/zinc/70/64/29/507706429.db2.gz OIBKEBBUTQTADM-RHSMWYFYSA-N 1 2 353.422 3.248 20 30 FGEDLO Cc1c(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000611551683 507733651 /nfs/dbraw/zinc/73/36/51/507733651.db2.gz SFBCHPFFDLYMJY-HXUWFJFHSA-N 1 2 368.412 3.425 20 30 FGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000472206371 561021098 /nfs/dbraw/zinc/02/10/98/561021098.db2.gz JTTAGYNSFIHJFF-IBGZPJMESA-N 1 2 369.428 3.017 20 30 FGEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2ccc(C)c(C(F)(F)F)c2)c1C#N ZINC000530260692 562404420 /nfs/dbraw/zinc/40/44/20/562404420.db2.gz AUXJGCOEDLTEJE-UHFFFAOYSA-N 1 2 365.359 3.013 20 30 FGEDLO Cc1ccc2[nH+]cc(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)n2c1 ZINC000822280687 607368222 /nfs/dbraw/zinc/36/82/22/607368222.db2.gz WBRJOVGPOKMSBY-NTEUORMPSA-N 1 2 356.389 3.035 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(F)cc2Br)cc1 ZINC000071965294 695958909 /nfs/dbraw/zinc/95/89/09/695958909.db2.gz JUSIICTTWKLSRE-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OCCOC)CC2)c1=S ZINC000116868692 700597566 /nfs/dbraw/zinc/59/75/66/700597566.db2.gz SEXFIEYTTGOFSN-UHFFFAOYSA-N 1 2 361.511 3.443 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(-c3ccccc3)s2)cc1 ZINC000127916986 700768340 /nfs/dbraw/zinc/76/83/40/700768340.db2.gz AAVDIGKNNGRTIE-UHFFFAOYSA-N 1 2 354.435 3.245 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2ccc(Cl)nc2)ccc1OC(F)F ZINC000130326552 700799765 /nfs/dbraw/zinc/79/97/65/700799765.db2.gz WQSZTRABMLCHQM-UHFFFAOYSA-N 1 2 357.744 3.182 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330142392 713834358 /nfs/dbraw/zinc/83/43/58/713834358.db2.gz YGBBSQYKLNDUQP-ZJNNMKFESA-N 1 2 352.519 3.426 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330142392 713834362 /nfs/dbraw/zinc/83/43/62/713834362.db2.gz YGBBSQYKLNDUQP-ZJNNMKFESA-N 1 2 352.519 3.426 20 30 FGEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000522636417 714197442 /nfs/dbraw/zinc/19/74/42/714197442.db2.gz ZYAPWFSYYWKILQ-OAHLLOKOSA-N 1 2 351.878 3.011 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000621956436 715041225 /nfs/dbraw/zinc/04/12/25/715041225.db2.gz KZKHFDGSQGZMBO-KRWDZBQOSA-N 1 2 361.917 3.047 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000779153517 724395780 /nfs/dbraw/zinc/39/57/80/724395780.db2.gz FOAYQNXRNJRJGW-AWEZNQCLSA-N 1 2 350.846 3.063 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000779153517 724395782 /nfs/dbraw/zinc/39/57/82/724395782.db2.gz FOAYQNXRNJRJGW-AWEZNQCLSA-N 1 2 350.846 3.063 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)N(CC)CC)cc1OC ZINC000628117137 716111017 /nfs/dbraw/zinc/11/10/17/716111017.db2.gz UNWASUNQVFNORB-UHFFFAOYSA-N 1 2 354.878 3.214 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)N(CC)CC)cc1OC ZINC000628117137 716111019 /nfs/dbraw/zinc/11/10/19/716111019.db2.gz UNWASUNQVFNORB-UHFFFAOYSA-N 1 2 354.878 3.214 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1OC ZINC000628256331 716130582 /nfs/dbraw/zinc/13/05/82/716130582.db2.gz RVRADYCMQCLIRA-IFXJQAMLSA-N 1 2 367.873 3.293 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1OC ZINC000628256331 716130585 /nfs/dbraw/zinc/13/05/85/716130585.db2.gz RVRADYCMQCLIRA-IFXJQAMLSA-N 1 2 367.873 3.293 20 30 FGEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)nn1 ZINC000641132792 717864487 /nfs/dbraw/zinc/86/44/87/717864487.db2.gz PMGWXXQSUFXKKF-UHFFFAOYSA-N 1 2 355.829 3.056 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H](C)COC ZINC000661248380 720215289 /nfs/dbraw/zinc/21/52/89/720215289.db2.gz UANNUXNFHVNXSV-NSHDSACASA-N 1 2 362.804 3.403 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H](C)COC ZINC000661248380 720215291 /nfs/dbraw/zinc/21/52/91/720215291.db2.gz UANNUXNFHVNXSV-NSHDSACASA-N 1 2 362.804 3.403 20 30 FGEDLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949394 724711337 /nfs/dbraw/zinc/71/13/37/724711337.db2.gz UNFFFTKXBHGNJB-LBPRGKRZSA-N 1 2 370.291 3.171 20 30 FGEDLO C=C(C)[C@H](CO)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000671144383 721568891 /nfs/dbraw/zinc/56/88/91/721568891.db2.gz DBXRLUVVJUVXEJ-KRWDZBQOSA-N 1 2 358.511 3.282 20 30 FGEDLO C=C(Br)C[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000731104010 722473446 /nfs/dbraw/zinc/47/34/46/722473446.db2.gz SDHBGQMPTRJLRW-MRXNPFEDSA-N 1 2 353.304 3.118 20 30 FGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000731104010 722473447 /nfs/dbraw/zinc/47/34/47/722473447.db2.gz SDHBGQMPTRJLRW-MRXNPFEDSA-N 1 2 353.304 3.118 20 30 FGEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccccc2SC)cc1 ZINC000733306001 722495317 /nfs/dbraw/zinc/49/53/17/722495317.db2.gz FDZOXMQTXDAJLS-LBPRGKRZSA-N 1 2 359.451 3.081 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2sc3ccccc3c2C)CC1 ZINC000735938172 722520511 /nfs/dbraw/zinc/52/05/11/722520511.db2.gz UIFFDRPBISGMMG-UHFFFAOYSA-N 1 2 355.459 3.281 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Br)c(F)c2)cc1 ZINC000748780036 722704034 /nfs/dbraw/zinc/70/40/34/722704034.db2.gz JUVIUUXTZXEOHN-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000749844474 722744637 /nfs/dbraw/zinc/74/46/37/722744637.db2.gz KZFONDFPJGKACE-GFCCVEGCSA-N 1 2 358.423 3.000 20 30 FGEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000749844474 722744638 /nfs/dbraw/zinc/74/46/38/722744638.db2.gz KZFONDFPJGKACE-GFCCVEGCSA-N 1 2 358.423 3.000 20 30 FGEDLO COc1ccc(NC(=S)N[NH+]=Cc2c(C)cc(N)cc2C)cc1OC ZINC000752721860 722868444 /nfs/dbraw/zinc/86/84/44/722868444.db2.gz HOXYGJVLVZCVCG-UHFFFAOYSA-N 1 2 358.467 3.223 20 30 FGEDLO CCOc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753956907 722920178 /nfs/dbraw/zinc/92/01/78/722920178.db2.gz YJHYTPVRMWAJCV-GFCCVEGCSA-N 1 2 357.483 3.093 20 30 FGEDLO CCOc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753956907 722920179 /nfs/dbraw/zinc/92/01/79/722920179.db2.gz YJHYTPVRMWAJCV-GFCCVEGCSA-N 1 2 357.483 3.093 20 30 FGEDLO C=C(Br)COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754955489 722948193 /nfs/dbraw/zinc/94/81/93/722948193.db2.gz HKUVGJRPIGXMDD-UHFFFAOYSA-N 1 2 362.227 3.463 20 30 FGEDLO C=C(Br)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755170788 722950900 /nfs/dbraw/zinc/95/09/00/722950900.db2.gz LAEXBIUKJMEQPA-UHFFFAOYSA-N 1 2 361.243 3.036 20 30 FGEDLO CC(C)c1[nH+]c(C=NNc2ccc(S(C)(=O)=O)cc2)c2ccccn21 ZINC000755642828 722955340 /nfs/dbraw/zinc/95/53/40/722955340.db2.gz FXDBUABIZUNMFL-UHFFFAOYSA-N 1 2 356.451 3.307 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1C ZINC000761056605 723117933 /nfs/dbraw/zinc/11/79/33/723117933.db2.gz YIYSVWWQTAPSJJ-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1C ZINC000761056605 723117934 /nfs/dbraw/zinc/11/79/34/723117934.db2.gz YIYSVWWQTAPSJJ-OAHLLOKOSA-N 1 2 353.388 3.434 20 30 FGEDLO COC(=O)c1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1C ZINC000793089774 723399078 /nfs/dbraw/zinc/39/90/78/723399078.db2.gz LXXKQYNTHLUHAD-UHFFFAOYSA-N 1 2 359.451 3.126 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ncc(Br)s2)s1 ZINC000794702040 723541679 /nfs/dbraw/zinc/54/16/79/723541679.db2.gz MLEFHFQIRZUTRA-ARJAWSKDSA-N 1 2 358.286 3.320 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000767797952 723634615 /nfs/dbraw/zinc/63/46/15/723634615.db2.gz VLUGEKPNSORYGW-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO CCSCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769842245 723697669 /nfs/dbraw/zinc/69/76/69/723697669.db2.gz KPXFZULETDVUJA-UHFFFAOYSA-N 1 2 353.488 3.101 20 30 FGEDLO C=CC1CC[NH+](Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773302903 723781837 /nfs/dbraw/zinc/78/18/37/723781837.db2.gz NSJXJDGNAKVYAZ-UHFFFAOYSA-N 1 2 355.207 3.352 20 30 FGEDLO CC[C@@H]1c2ccsc2CCN1C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000776297095 724129759 /nfs/dbraw/zinc/12/97/59/724129759.db2.gz MGICCYVFLKKPFC-OAHLLOKOSA-N 1 2 361.442 3.060 20 30 FGEDLO Cc1cc(Br)cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000814175469 726944654 /nfs/dbraw/zinc/94/46/54/726944654.db2.gz JKUIATMBZUBYAA-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000820737516 729023086 /nfs/dbraw/zinc/02/30/86/729023086.db2.gz FLAIETMFSHQUKC-WBMJQRKESA-N 1 2 360.820 3.466 20 30 FGEDLO CC(C)(C)c1csc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000821482700 729091656 /nfs/dbraw/zinc/09/16/56/729091656.db2.gz VTJRCJHCQRUQBY-UHFFFAOYSA-N 1 2 364.515 3.150 20 30 FGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(Cl)c1Cl ZINC000841644484 730261414 /nfs/dbraw/zinc/26/14/14/730261414.db2.gz HJYYCNQITODURU-UHFFFAOYSA-N 1 2 368.268 3.318 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000842630109 730522146 /nfs/dbraw/zinc/52/21/46/730522146.db2.gz XGUJJSQXIBUFQV-MRXNPFEDSA-N 1 2 356.495 3.413 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C)n(-c3ccc(OC)cc3)c2=S)C1 ZINC000842630109 730522148 /nfs/dbraw/zinc/52/21/48/730522148.db2.gz XGUJJSQXIBUFQV-MRXNPFEDSA-N 1 2 356.495 3.413 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277586 730826062 /nfs/dbraw/zinc/82/60/62/730826062.db2.gz HZPZRXZMBCVLDW-AWEZNQCLSA-N 1 2 359.451 3.294 20 30 FGEDLO Brc1cccc2c1OCCCC2=NNCCCn1cc[nH+]c1 ZINC000848418537 731162320 /nfs/dbraw/zinc/16/23/20/731162320.db2.gz PHMWRGGRDVPFDP-UHFFFAOYSA-N 1 2 363.259 3.202 20 30 FGEDLO CCCOc1c(Cl)cc(C=NNCCCn2cc[nH+]c2)cc1OC ZINC000848419106 731162366 /nfs/dbraw/zinc/16/23/66/731162366.db2.gz RGAVGKBKIIYWNV-UHFFFAOYSA-N 1 2 350.850 3.348 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000852341988 731572905 /nfs/dbraw/zinc/57/29/05/731572905.db2.gz BWONQOJJJIGGJP-INIZCTEOSA-N 1 2 365.861 3.268 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866354334 733339294 /nfs/dbraw/zinc/33/92/94/733339294.db2.gz HIZVEYNPCKHDFY-KGLIPLIRSA-N 1 2 358.463 3.469 20 30 FGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535432 733362708 /nfs/dbraw/zinc/36/27/08/733362708.db2.gz DFHKKXAWKVHJPJ-KBPBESRZSA-N 1 2 358.463 3.122 20 30 FGEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000876813170 736148640 /nfs/dbraw/zinc/14/86/40/736148640.db2.gz ABFXKMIGOIICOE-UHFFFAOYSA-N 1 2 351.376 3.009 20 30 FGEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000876813170 736148644 /nfs/dbraw/zinc/14/86/44/736148644.db2.gz ABFXKMIGOIICOE-UHFFFAOYSA-N 1 2 351.376 3.009 20 30 FGEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000880479924 737179536 /nfs/dbraw/zinc/17/95/36/737179536.db2.gz CNNGXFQHCUSWGB-UHFFFAOYSA-N 1 2 374.790 3.148 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(COC)C2)cc1OC ZINC000895972455 742476241 /nfs/dbraw/zinc/47/62/41/742476241.db2.gz YQUWHPPQCDSJGN-UHFFFAOYSA-N 1 2 356.260 3.101 20 30 FGEDLO C=CCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 ZINC000904735594 743973434 /nfs/dbraw/zinc/97/34/34/743973434.db2.gz WYFFDQNZBOAKCW-CQSZACIVSA-N 1 2 369.874 3.194 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cc(Br)ccc2OC)cc1 ZINC000917401974 758217225 /nfs/dbraw/zinc/21/72/25/758217225.db2.gz PDDHHXHBBAUEEU-UHFFFAOYSA-N 1 2 365.227 3.303 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCc2cc(Cl)c3c(c2)OCCO3)ccc1F ZINC000920401227 758548827 /nfs/dbraw/zinc/54/88/27/758548827.db2.gz FDFFBOFYBJMMPZ-UHFFFAOYSA-N 1 2 350.777 3.396 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](Cc3nccs3)C2)C1=O ZINC000932197862 761080783 /nfs/dbraw/zinc/08/07/83/761080783.db2.gz IMNQWBZGZMLURX-UKRRQHHQSA-N 1 2 372.519 3.136 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](Cc3nccs3)C2)C1=O ZINC000932197862 761080794 /nfs/dbraw/zinc/08/07/94/761080794.db2.gz IMNQWBZGZMLURX-UKRRQHHQSA-N 1 2 372.519 3.136 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932585724 761194515 /nfs/dbraw/zinc/19/45/15/761194515.db2.gz KUJRRRRZOIDDDM-UHFFFAOYSA-N 1 2 370.762 3.473 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932585724 761194520 /nfs/dbraw/zinc/19/45/20/761194520.db2.gz KUJRRRRZOIDDDM-UHFFFAOYSA-N 1 2 370.762 3.473 20 30 FGEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000933182451 761334793 /nfs/dbraw/zinc/33/47/93/761334793.db2.gz WYMALDRIRSDEPT-NEWSRXKRSA-N 1 2 361.869 3.124 20 30 FGEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H]([C@@H]2CCCO2)C1 ZINC000933182451 761334801 /nfs/dbraw/zinc/33/48/01/761334801.db2.gz WYMALDRIRSDEPT-NEWSRXKRSA-N 1 2 361.869 3.124 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711848 761461258 /nfs/dbraw/zinc/46/12/58/761461258.db2.gz FPDLRABGTDBQOI-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711848 761461264 /nfs/dbraw/zinc/46/12/64/761461264.db2.gz FPDLRABGTDBQOI-GFCCVEGCSA-N 1 2 350.319 3.496 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000981454394 763492683 /nfs/dbraw/zinc/49/26/83/763492683.db2.gz QCDSNZGLSCCGFW-ZIAGYGMSSA-N 1 2 350.812 3.418 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000981454394 763492689 /nfs/dbraw/zinc/49/26/89/763492689.db2.gz QCDSNZGLSCCGFW-ZIAGYGMSSA-N 1 2 350.812 3.418 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)s1 ZINC000981669145 763514893 /nfs/dbraw/zinc/51/48/93/763514893.db2.gz XSQZIILNABNFCY-ZYSHUDEJSA-N 1 2 357.523 3.480 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)s1 ZINC000981669145 763514900 /nfs/dbraw/zinc/51/49/00/763514900.db2.gz XSQZIILNABNFCY-ZYSHUDEJSA-N 1 2 357.523 3.480 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)C1 ZINC000982063210 763553776 /nfs/dbraw/zinc/55/37/76/763553776.db2.gz IVOULRBTFFZRCP-JKSUJKDBSA-N 1 2 367.331 3.256 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)C1 ZINC000982063210 763553783 /nfs/dbraw/zinc/55/37/83/763553783.db2.gz IVOULRBTFFZRCP-JKSUJKDBSA-N 1 2 367.331 3.256 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001008014996 765634028 /nfs/dbraw/zinc/63/40/28/765634028.db2.gz JEUWXAGOLKBNEH-NZSAHSFTSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001008014996 765634033 /nfs/dbraw/zinc/63/40/33/765634033.db2.gz JEUWXAGOLKBNEH-NZSAHSFTSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001027499198 766096462 /nfs/dbraw/zinc/09/64/62/766096462.db2.gz YJTKLUNDXKNHOH-XHSDSOJGSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001027499198 766096499 /nfs/dbraw/zinc/09/64/99/766096499.db2.gz YJTKLUNDXKNHOH-XHSDSOJGSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001027890403 766103249 /nfs/dbraw/zinc/10/32/49/766103249.db2.gz YTUQHKARSZYHGQ-IPMKNSEASA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001027890403 766103251 /nfs/dbraw/zinc/10/32/51/766103251.db2.gz YTUQHKARSZYHGQ-IPMKNSEASA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001028855451 766136754 /nfs/dbraw/zinc/13/67/54/766136754.db2.gz DBZWVOSEQGBFRP-FLOCWHQKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001028855451 766136761 /nfs/dbraw/zinc/13/67/61/766136761.db2.gz DBZWVOSEQGBFRP-FLOCWHQKSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 ZINC001031677219 766182699 /nfs/dbraw/zinc/18/26/99/766182699.db2.gz BTDFKXUXWJIVQM-WUCCLRPBSA-N 1 2 364.839 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(Cl)c1 ZINC001032676768 766202856 /nfs/dbraw/zinc/20/28/56/766202856.db2.gz CTNFOKTVWIRRCY-VJANTYMQSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(Cl)c1 ZINC001032676768 766202861 /nfs/dbraw/zinc/20/28/61/766202861.db2.gz CTNFOKTVWIRRCY-VJANTYMQSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038808512 766290759 /nfs/dbraw/zinc/29/07/59/766290759.db2.gz RCHNYSPNDZNKHU-WWGRRREGSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038808512 766290762 /nfs/dbraw/zinc/29/07/62/766290762.db2.gz RCHNYSPNDZNKHU-WWGRRREGSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777771 766810063 /nfs/dbraw/zinc/81/00/63/766810063.db2.gz RWCYZZZLCQZKQK-ZJIFWQFVSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777771 766810074 /nfs/dbraw/zinc/81/00/74/766810074.db2.gz RWCYZZZLCQZKQK-ZJIFWQFVSA-N 1 2 353.304 3.006 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000571022049 505634791 /nfs/dbraw/zinc/63/47/91/505634791.db2.gz YJMSBANTEQJXPD-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000029858487 493862612 /nfs/dbraw/zinc/86/26/12/493862612.db2.gz TYZQMEKXAARJKZ-UHFFFAOYSA-N 1 2 371.387 3.025 20 30 FGEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCCCn3cc[nH+]c3)o2)cc1 ZINC000076427543 493890102 /nfs/dbraw/zinc/89/01/02/493890102.db2.gz WLAQYMYSJIGUTD-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000060526871 493941744 /nfs/dbraw/zinc/94/17/44/493941744.db2.gz DEQPBNDGDOQOBM-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000076757223 493966478 /nfs/dbraw/zinc/96/64/78/493966478.db2.gz TWHOTLUGYQJMBJ-YOEHRIQHSA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000076757223 493966483 /nfs/dbraw/zinc/96/64/83/493966483.db2.gz TWHOTLUGYQJMBJ-YOEHRIQHSA-N 1 2 352.438 3.282 20 30 FGEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cc1 ZINC000069423162 493970267 /nfs/dbraw/zinc/97/02/67/493970267.db2.gz SXKKHAZUTDYFGS-UHFFFAOYSA-N 1 2 373.416 3.071 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000076874117 493982744 /nfs/dbraw/zinc/98/27/44/493982744.db2.gz VQKXBPNFRAKMHY-ZDUSSCGKSA-N 1 2 357.376 3.025 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000076874117 493982747 /nfs/dbraw/zinc/98/27/47/493982747.db2.gz VQKXBPNFRAKMHY-ZDUSSCGKSA-N 1 2 357.376 3.025 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CC1CCCCC1 ZINC000069860128 494023220 /nfs/dbraw/zinc/02/32/20/494023220.db2.gz DHKWUAJRAAWEFC-UHFFFAOYSA-N 1 2 364.511 3.097 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CC1CCCCC1 ZINC000069860128 494023222 /nfs/dbraw/zinc/02/32/22/494023222.db2.gz DHKWUAJRAAWEFC-UHFFFAOYSA-N 1 2 364.511 3.097 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297701 494041290 /nfs/dbraw/zinc/04/12/90/494041290.db2.gz JWMPIWNHWIWULB-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297701 494041293 /nfs/dbraw/zinc/04/12/93/494041293.db2.gz JWMPIWNHWIWULB-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccc(C#N)c1 ZINC000063300666 494041951 /nfs/dbraw/zinc/04/19/51/494041951.db2.gz CDKQHEIOYZPLIW-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccc(C#N)c1 ZINC000063300666 494041955 /nfs/dbraw/zinc/04/19/55/494041955.db2.gz CDKQHEIOYZPLIW-UHFFFAOYSA-N 1 2 364.405 3.402 20 30 FGEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(C#N)cc1 ZINC000052581280 494043015 /nfs/dbraw/zinc/04/30/15/494043015.db2.gz XUFIQGBXXSGUAB-UHFFFAOYSA-N 1 2 352.419 3.345 20 30 FGEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(C#N)cc1 ZINC000052581280 494043018 /nfs/dbraw/zinc/04/30/18/494043018.db2.gz XUFIQGBXXSGUAB-UHFFFAOYSA-N 1 2 352.419 3.345 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sccc3C#N)CCCCCC2)no1 ZINC000063512230 494061451 /nfs/dbraw/zinc/06/14/51/494061451.db2.gz NWSQNJWNXAPLBY-UHFFFAOYSA-N 1 2 373.482 3.479 20 30 FGEDLO Cc1nc(CC(N)=[NH+]OCc2ccc(SC(=O)N(C)C)cc2)cs1 ZINC000084489617 494075288 /nfs/dbraw/zinc/07/52/88/494075288.db2.gz MBHRTOCQXPXSFD-UHFFFAOYSA-N 1 2 364.496 3.257 20 30 FGEDLO CCc1cc(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000078088625 494228132 /nfs/dbraw/zinc/22/81/32/494228132.db2.gz MWONHGQOHYLBIH-QGZVFWFLSA-N 1 2 355.463 3.022 20 30 FGEDLO CCc1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000078088625 494228138 /nfs/dbraw/zinc/22/81/38/494228138.db2.gz MWONHGQOHYLBIH-QGZVFWFLSA-N 1 2 355.463 3.022 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054676969 494260231 /nfs/dbraw/zinc/26/02/31/494260231.db2.gz AGUGPIWDSCVBFR-OAHLLOKOSA-N 1 2 372.494 3.474 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054676969 494260233 /nfs/dbraw/zinc/26/02/33/494260233.db2.gz AGUGPIWDSCVBFR-OAHLLOKOSA-N 1 2 372.494 3.474 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000066178372 494284545 /nfs/dbraw/zinc/28/45/45/494284545.db2.gz IXBOXDKDLYVQFV-UHFFFAOYSA-N 1 2 351.454 3.139 20 30 FGEDLO Cc1ccccc1NCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043545363 494304148 /nfs/dbraw/zinc/30/41/48/494304148.db2.gz KUWPUEGMLXRLES-UHFFFAOYSA-N 1 2 362.477 3.013 20 30 FGEDLO Cc1nc(SCC(=O)Nc2ccc[nH+]c2N(C)C)c(C#N)c(C)c1C ZINC000078879659 494375485 /nfs/dbraw/zinc/37/54/85/494375485.db2.gz DEIYFQAUZFMJRA-UHFFFAOYSA-N 1 2 355.467 3.070 20 30 FGEDLO Cc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000067368899 494524030 /nfs/dbraw/zinc/52/40/30/494524030.db2.gz MVSMDUZZWANUJE-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000022840067 494539259 /nfs/dbraw/zinc/53/92/59/494539259.db2.gz HDBVDGPUFMRYHR-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCCCC#N ZINC000121272735 494676208 /nfs/dbraw/zinc/67/62/08/494676208.db2.gz TZTNVDLCQQEURR-KRWDZBQOSA-N 1 2 354.454 3.480 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OCCCC#N ZINC000121272735 494676218 /nfs/dbraw/zinc/67/62/18/494676218.db2.gz TZTNVDLCQQEURR-KRWDZBQOSA-N 1 2 354.454 3.480 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092615337 494688192 /nfs/dbraw/zinc/68/81/92/494688192.db2.gz OWWSDFZQBICSEO-CYBMUJFWSA-N 1 2 369.450 3.142 20 30 FGEDLO C=CCOc1ccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1OC ZINC000091890813 494713262 /nfs/dbraw/zinc/71/32/62/494713262.db2.gz BLNYSRLEDIWCCY-UHFFFAOYSA-N 1 2 371.481 3.183 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1OC ZINC000091890813 494713265 /nfs/dbraw/zinc/71/32/65/494713265.db2.gz BLNYSRLEDIWCCY-UHFFFAOYSA-N 1 2 371.481 3.183 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000091936618 494727399 /nfs/dbraw/zinc/72/73/99/494727399.db2.gz OCOVBQHTTLNPBW-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000091936618 494727403 /nfs/dbraw/zinc/72/74/03/494727403.db2.gz OCOVBQHTTLNPBW-GFCCVEGCSA-N 1 2 362.264 3.366 20 30 FGEDLO C#CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000108519160 494729419 /nfs/dbraw/zinc/72/94/19/494729419.db2.gz PUWUGHPBAOGQMD-UHFFFAOYSA-N 1 2 350.422 3.016 20 30 FGEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N)CCC2 ZINC000121410312 494743437 /nfs/dbraw/zinc/74/34/37/494743437.db2.gz ZSIMOMUCNAZBSL-OAHLLOKOSA-N 1 2 358.467 3.481 20 30 FGEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N)CCC2 ZINC000121410312 494743439 /nfs/dbraw/zinc/74/34/39/494743439.db2.gz ZSIMOMUCNAZBSL-OAHLLOKOSA-N 1 2 358.467 3.481 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000092040368 494766667 /nfs/dbraw/zinc/76/66/67/494766667.db2.gz QGHTXADSUDMJCD-ROUUACIJSA-N 1 2 373.449 3.178 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000092040368 494766672 /nfs/dbraw/zinc/76/66/72/494766672.db2.gz QGHTXADSUDMJCD-ROUUACIJSA-N 1 2 373.449 3.178 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325361 494818492 /nfs/dbraw/zinc/81/84/92/494818492.db2.gz BUTZYCSJKNQCNJ-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325361 494818498 /nfs/dbraw/zinc/81/84/98/494818498.db2.gz BUTZYCSJKNQCNJ-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(F)c1 ZINC000109797192 494919345 /nfs/dbraw/zinc/91/93/45/494919345.db2.gz VXDMTNVWMDBNHO-UHFFFAOYSA-N 1 2 373.435 3.477 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132790958 494924580 /nfs/dbraw/zinc/92/45/80/494924580.db2.gz IQFUUMAUHDIGEG-HNNXBMFYSA-N 1 2 369.490 3.450 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132790958 494924584 /nfs/dbraw/zinc/92/45/84/494924584.db2.gz IQFUUMAUHDIGEG-HNNXBMFYSA-N 1 2 369.490 3.450 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000110116250 494949928 /nfs/dbraw/zinc/94/99/28/494949928.db2.gz CGIIUUYEBAJMCH-GOSISDBHSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000110116250 494949932 /nfs/dbraw/zinc/94/99/32/494949932.db2.gz CGIIUUYEBAJMCH-GOSISDBHSA-N 1 2 351.454 3.092 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127736848 494989444 /nfs/dbraw/zinc/98/94/44/494989444.db2.gz LKODNQJUHXAHQI-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127736848 494989447 /nfs/dbraw/zinc/98/94/47/494989447.db2.gz LKODNQJUHXAHQI-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457333 495016912 /nfs/dbraw/zinc/01/69/12/495016912.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000133457333 495016917 /nfs/dbraw/zinc/01/69/17/495016917.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000133457333 495016919 /nfs/dbraw/zinc/01/69/19/495016919.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000133457333 495016925 /nfs/dbraw/zinc/01/69/25/495016925.db2.gz VLYQFOYQYJKRCR-MOPGFXCFSA-N 1 2 359.433 3.214 20 30 FGEDLO N#CC1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCC1 ZINC000128000488 495029320 /nfs/dbraw/zinc/02/93/20/495029320.db2.gz FBEDSAPUCQRWCH-UHFFFAOYSA-N 1 2 352.463 3.334 20 30 FGEDLO N#CC1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCC1 ZINC000128000488 495029322 /nfs/dbraw/zinc/02/93/22/495029322.db2.gz FBEDSAPUCQRWCH-UHFFFAOYSA-N 1 2 352.463 3.334 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1Cl ZINC000122904724 495050366 /nfs/dbraw/zinc/05/03/66/495050366.db2.gz ZAAMKMORASXIMC-UHFFFAOYSA-N 1 2 368.868 3.494 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(OC(F)F)cc1C ZINC000122962603 495060716 /nfs/dbraw/zinc/06/07/16/495060716.db2.gz URHZFEVEHVLYRD-UHFFFAOYSA-N 1 2 372.419 3.494 20 30 FGEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)n1 ZINC000123430174 495131354 /nfs/dbraw/zinc/13/13/54/495131354.db2.gz VBLWRVSHIXXAGA-ZDUSSCGKSA-N 1 2 367.409 3.004 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000129109856 495197041 /nfs/dbraw/zinc/19/70/41/495197041.db2.gz CSDOYQYWSRFARG-HNNXBMFYSA-N 1 2 356.495 3.088 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000129109856 495197044 /nfs/dbraw/zinc/19/70/44/495197044.db2.gz CSDOYQYWSRFARG-HNNXBMFYSA-N 1 2 356.495 3.088 20 30 FGEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)nc1 ZINC000103141275 495198217 /nfs/dbraw/zinc/19/82/17/495198217.db2.gz ZUHFPSBEEDEIRR-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)ccc1F ZINC000129210793 495211218 /nfs/dbraw/zinc/21/12/18/495211218.db2.gz CVDVZVWDSRYSGF-FQEVSTJZSA-N 1 2 367.424 3.408 20 30 FGEDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)ccc1F ZINC000129210793 495211221 /nfs/dbraw/zinc/21/12/21/495211221.db2.gz CVDVZVWDSRYSGF-FQEVSTJZSA-N 1 2 367.424 3.408 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1 ZINC000124060117 495228454 /nfs/dbraw/zinc/22/84/54/495228454.db2.gz LWUCBCSXCXINRV-UHFFFAOYSA-N 1 2 353.470 3.342 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccn1 ZINC000119818390 495247919 /nfs/dbraw/zinc/24/79/19/495247919.db2.gz QXSVQXGCNPYZSX-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccn1 ZINC000119818390 495247922 /nfs/dbraw/zinc/24/79/22/495247922.db2.gz QXSVQXGCNPYZSX-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000119817780 495248483 /nfs/dbraw/zinc/24/84/83/495248483.db2.gz UTKLVOIHHLJICK-XVNBXDOJSA-N 1 2 368.389 3.029 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129553940 495261001 /nfs/dbraw/zinc/26/10/01/495261001.db2.gz LBEICZUKHJZLFR-JKSUJKDBSA-N 1 2 369.490 3.292 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000124609198 495315952 /nfs/dbraw/zinc/31/59/52/495315952.db2.gz CZKASBANCSJADT-UHFFFAOYSA-N 1 2 372.490 3.280 20 30 FGEDLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000130570231 495412826 /nfs/dbraw/zinc/41/28/26/495412826.db2.gz KNGZPILRYSUODQ-AWEZNQCLSA-N 1 2 370.478 3.258 20 30 FGEDLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000130570231 495412831 /nfs/dbraw/zinc/41/28/31/495412831.db2.gz KNGZPILRYSUODQ-AWEZNQCLSA-N 1 2 370.478 3.258 20 30 FGEDLO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863172 495502606 /nfs/dbraw/zinc/50/26/06/495502606.db2.gz XEWFFGDRQOFSHL-XJKSGUPXSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106863172 495502608 /nfs/dbraw/zinc/50/26/08/495502608.db2.gz XEWFFGDRQOFSHL-XJKSGUPXSA-N 1 2 361.511 3.062 20 30 FGEDLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597207 495520769 /nfs/dbraw/zinc/52/07/69/495520769.db2.gz HEYKDECQWCQBEK-VLIAUNLRSA-N 1 2 367.449 3.233 20 30 FGEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176208549 495547414 /nfs/dbraw/zinc/54/74/14/495547414.db2.gz UTNWMJXAYQRJBF-QGZVFWFLSA-N 1 2 360.504 3.403 20 30 FGEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176208549 495547417 /nfs/dbraw/zinc/54/74/17/495547417.db2.gz UTNWMJXAYQRJBF-QGZVFWFLSA-N 1 2 360.504 3.403 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154666152 495689419 /nfs/dbraw/zinc/68/94/19/495689419.db2.gz PHILXBYTMCLBQU-MOPGFXCFSA-N 1 2 354.454 3.004 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000159242077 495691759 /nfs/dbraw/zinc/69/17/59/495691759.db2.gz MZPHMQAHDMISNQ-UHFFFAOYSA-N 1 2 356.813 3.004 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cscc3C(F)(F)F)CC2)c1 ZINC000571727661 505800318 /nfs/dbraw/zinc/80/03/18/505800318.db2.gz LAVRRCNOMNEBDN-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C2CC2)no1 ZINC000179818961 495747348 /nfs/dbraw/zinc/74/73/48/495747348.db2.gz LGIJCMWYEIWTJP-GOSISDBHSA-N 1 2 367.453 3.181 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)o2)cc1 ZINC000159631943 495775140 /nfs/dbraw/zinc/77/51/40/495775140.db2.gz WSLXMLCUUSYTHB-QFIPXVFZSA-N 1 2 372.428 3.282 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)o2)cc1 ZINC000159631943 495775145 /nfs/dbraw/zinc/77/51/45/495775145.db2.gz WSLXMLCUUSYTHB-QFIPXVFZSA-N 1 2 372.428 3.282 20 30 FGEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000151228998 495778140 /nfs/dbraw/zinc/77/81/40/495778140.db2.gz RLDOJMVCRXFPBW-UHFFFAOYSA-N 1 2 351.837 3.450 20 30 FGEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000151228998 495778145 /nfs/dbraw/zinc/77/81/45/495778145.db2.gz RLDOJMVCRXFPBW-UHFFFAOYSA-N 1 2 351.837 3.450 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185945910 495792318 /nfs/dbraw/zinc/79/23/18/495792318.db2.gz IYIQRFRTEAJHDW-IINYFYTJSA-N 1 2 360.405 3.011 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185945928 495792679 /nfs/dbraw/zinc/79/26/79/495792679.db2.gz IYIQRFRTEAJHDW-QMTHXVAHSA-N 1 2 360.405 3.011 20 30 FGEDLO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176810564 495794400 /nfs/dbraw/zinc/79/44/00/495794400.db2.gz CIFPIHJPHPOUTN-UHFFFAOYSA-N 1 2 360.421 3.031 20 30 FGEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000580648160 505805464 /nfs/dbraw/zinc/80/54/64/505805464.db2.gz CYAJCEUZWVDITO-OAQYLSRUSA-N 1 2 362.433 3.233 20 30 FGEDLO CS(=O)(=O)CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000171380374 495846463 /nfs/dbraw/zinc/84/64/63/495846463.db2.gz IBSPNJARPHRQIR-UHFFFAOYSA-N 1 2 360.454 3.134 20 30 FGEDLO CS(=O)(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000171380374 495846468 /nfs/dbraw/zinc/84/64/68/495846468.db2.gz IBSPNJARPHRQIR-UHFFFAOYSA-N 1 2 360.454 3.134 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000155485937 495971579 /nfs/dbraw/zinc/97/15/79/495971579.db2.gz DXOHGVJAGYWMJD-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000155485937 495971583 /nfs/dbraw/zinc/97/15/83/495971583.db2.gz DXOHGVJAGYWMJD-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000160499546 495977667 /nfs/dbraw/zinc/97/76/67/495977667.db2.gz HSSFXNCZPLODKB-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO N#CCC[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186542453 496038127 /nfs/dbraw/zinc/03/81/27/496038127.db2.gz ZJNCMUORJFZPLU-IBGZPJMESA-N 1 2 363.465 3.348 20 30 FGEDLO C[C@@]([NH2+]Cc1cc(C#N)ccc1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177387748 496041310 /nfs/dbraw/zinc/04/13/10/496041310.db2.gz PBOZAPRLLSDNKA-KRWDZBQOSA-N 1 2 365.330 3.206 20 30 FGEDLO N#CCc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000171871091 496070716 /nfs/dbraw/zinc/07/07/16/496070716.db2.gz OHWNMILOHHAULG-KRWDZBQOSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000171871091 496070718 /nfs/dbraw/zinc/07/07/18/496070718.db2.gz OHWNMILOHHAULG-KRWDZBQOSA-N 1 2 369.415 3.425 20 30 FGEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000161276295 496142210 /nfs/dbraw/zinc/14/22/10/496142210.db2.gz JHXIDORLKQTVQJ-KRWDZBQOSA-N 1 2 360.454 3.295 20 30 FGEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000161276295 496142217 /nfs/dbraw/zinc/14/22/17/496142217.db2.gz JHXIDORLKQTVQJ-KRWDZBQOSA-N 1 2 360.454 3.295 20 30 FGEDLO C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000152411952 496143242 /nfs/dbraw/zinc/14/32/42/496143242.db2.gz ZWVCIXNRAUPTBU-QMTHXVAHSA-N 1 2 358.294 3.112 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161321214 496151397 /nfs/dbraw/zinc/15/13/97/496151397.db2.gz YAEDQAQIUQPXIS-MRXNPFEDSA-N 1 2 365.437 3.141 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)C(F)(F)F ZINC000568998327 505827219 /nfs/dbraw/zinc/82/72/19/505827219.db2.gz UFCLDPLPFNNEBJ-XJKSGUPXSA-N 1 2 356.392 3.435 20 30 FGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000177725736 496172872 /nfs/dbraw/zinc/17/28/72/496172872.db2.gz FZUXIINVQMTOAR-GDBMZVCRSA-N 1 2 354.458 3.426 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177768724 496189096 /nfs/dbraw/zinc/18/90/96/496189096.db2.gz JYYJLGNOEZQJGB-UHFFFAOYSA-N 1 2 350.422 3.241 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccccc3Cl)CC1)CCOC2 ZINC000580755406 505830629 /nfs/dbraw/zinc/83/06/29/505830629.db2.gz UDLJWJKVAGCORV-UHFFFAOYSA-N 1 2 368.868 3.002 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccco1 ZINC000184145727 496258403 /nfs/dbraw/zinc/25/84/03/496258403.db2.gz OYAHZEXPQZAFMB-YJBOKZPZSA-N 1 2 355.438 3.482 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184212406 496288560 /nfs/dbraw/zinc/28/85/60/496288560.db2.gz SQJSFDZWYGVSLV-QAPCUYQASA-N 1 2 355.438 3.482 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C#N)c1C ZINC000157288892 496447844 /nfs/dbraw/zinc/44/78/44/496447844.db2.gz VTUHGHVZJQIOKC-UHFFFAOYSA-N 1 2 368.393 3.279 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C#N)c1C ZINC000157288892 496447850 /nfs/dbraw/zinc/44/78/50/496447850.db2.gz VTUHGHVZJQIOKC-UHFFFAOYSA-N 1 2 368.393 3.279 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)NCC3(C#N)CCC3)ccc2n1C1CC1 ZINC000580823978 505846554 /nfs/dbraw/zinc/84/65/54/505846554.db2.gz LMINGFLQNPILHR-UHFFFAOYSA-N 1 2 351.454 3.427 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(C)o1 ZINC000184666423 496485541 /nfs/dbraw/zinc/48/55/41/496485541.db2.gz LKNDWQULCGBVLQ-MJOCMJMXSA-N 1 2 361.486 3.185 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184688300 496493228 /nfs/dbraw/zinc/49/32/28/496493228.db2.gz MKWDWGBPOFOWGQ-LJQANCHMSA-N 1 2 369.465 3.429 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cc1 ZINC000178563762 496500034 /nfs/dbraw/zinc/50/00/34/496500034.db2.gz XANBKTAYLLVQIV-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000184713332 496504255 /nfs/dbraw/zinc/50/42/55/496504255.db2.gz FWTZGKHTANWGLJ-UHFFFAOYSA-N 1 2 350.466 3.082 20 30 FGEDLO C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000153587379 496507963 /nfs/dbraw/zinc/50/79/63/496507963.db2.gz KVTRHZZYJGJZCG-QGZVFWFLSA-N 1 2 374.444 3.400 20 30 FGEDLO Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1NC(=O)CC[NH+](C)C ZINC000184743486 496515574 /nfs/dbraw/zinc/51/55/74/496515574.db2.gz QNEVNFBEPZLAKM-UDWIEESQSA-N 1 2 370.409 3.250 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175833003 496563647 /nfs/dbraw/zinc/56/36/47/496563647.db2.gz HQDKEUSVUNLMGF-KBPBESRZSA-N 1 2 361.492 3.208 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175833003 496563654 /nfs/dbraw/zinc/56/36/54/496563654.db2.gz HQDKEUSVUNLMGF-KBPBESRZSA-N 1 2 361.492 3.208 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178889999 496606251 /nfs/dbraw/zinc/60/62/51/496606251.db2.gz FJUHQEDFBDTJIS-QGZVFWFLSA-N 1 2 354.429 3.197 20 30 FGEDLO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000184989559 496613232 /nfs/dbraw/zinc/61/32/32/496613232.db2.gz DKPBHXWDSYOZAY-UHFFFAOYSA-N 1 2 353.382 3.172 20 30 FGEDLO C=CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000184989559 496613237 /nfs/dbraw/zinc/61/32/37/496613237.db2.gz DKPBHXWDSYOZAY-UHFFFAOYSA-N 1 2 353.382 3.172 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185088931 496654602 /nfs/dbraw/zinc/65/46/02/496654602.db2.gz NCRBFLBMRVSLOO-JTQLQIEISA-N 1 2 371.397 3.098 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000165721819 496666198 /nfs/dbraw/zinc/66/61/98/496666198.db2.gz URJYQLHVKGUXJD-KBPBESRZSA-N 1 2 367.409 3.087 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000158396110 496692105 /nfs/dbraw/zinc/69/21/05/496692105.db2.gz SKRYOEDPWVIYSL-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000158396110 496692113 /nfs/dbraw/zinc/69/21/13/496692113.db2.gz SKRYOEDPWVIYSL-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185304313 496726535 /nfs/dbraw/zinc/72/65/35/496726535.db2.gz LTPAYQDOWVRZIG-GJZGRUSLSA-N 1 2 361.436 3.485 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185304313 496726538 /nfs/dbraw/zinc/72/65/38/496726538.db2.gz LTPAYQDOWVRZIG-GJZGRUSLSA-N 1 2 361.436 3.485 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)c[nH+]1 ZINC000191343567 496732402 /nfs/dbraw/zinc/73/24/02/496732402.db2.gz LBQBUZKKRRBNNL-VQHVLOKHSA-N 1 2 356.470 3.320 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)c1 ZINC000191562834 496812441 /nfs/dbraw/zinc/81/24/41/496812441.db2.gz ADFWREDXINKECO-CYBMUJFWSA-N 1 2 374.404 3.115 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273763625 496899447 /nfs/dbraw/zinc/89/94/47/496899447.db2.gz YOIFRDOHWGFCLA-VXGBXAGGSA-N 1 2 350.513 3.162 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018234 496980143 /nfs/dbraw/zinc/98/01/43/496980143.db2.gz SGMIRLVGGNNINQ-WMZOPIPTSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018234 496980145 /nfs/dbraw/zinc/98/01/45/496980145.db2.gz SGMIRLVGGNNINQ-WMZOPIPTSA-N 1 2 373.815 3.232 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000248603264 497053124 /nfs/dbraw/zinc/05/31/24/497053124.db2.gz DQWWUKCCKADDRH-KDOFPFPSSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000248603264 497053128 /nfs/dbraw/zinc/05/31/28/497053128.db2.gz DQWWUKCCKADDRH-KDOFPFPSSA-N 1 2 353.422 3.462 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000248604819 497054378 /nfs/dbraw/zinc/05/43/78/497054378.db2.gz FDNIGSGNOHZUNS-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000248604819 497054385 /nfs/dbraw/zinc/05/43/85/497054385.db2.gz FDNIGSGNOHZUNS-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000192472472 497125324 /nfs/dbraw/zinc/12/53/24/497125324.db2.gz OQHZFZIZZIOKMF-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1 ZINC000274925288 497199049 /nfs/dbraw/zinc/19/90/49/497199049.db2.gz VWOKRHKTGYTXIS-UHFFFAOYSA-N 1 2 372.421 3.389 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1 ZINC000274925288 497199054 /nfs/dbraw/zinc/19/90/54/497199054.db2.gz VWOKRHKTGYTXIS-UHFFFAOYSA-N 1 2 372.421 3.389 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c(C#N)c1C ZINC000249916237 497257887 /nfs/dbraw/zinc/25/78/87/497257887.db2.gz XMNADJDZXMWLHM-TZMCWYRMSA-N 1 2 358.467 3.431 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c(C#N)c1C ZINC000249916237 497257891 /nfs/dbraw/zinc/25/78/91/497257891.db2.gz XMNADJDZXMWLHM-TZMCWYRMSA-N 1 2 358.467 3.431 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccncc2)n1 ZINC000279349707 497414505 /nfs/dbraw/zinc/41/45/05/497414505.db2.gz FXSDSHKCBVDUFM-GOSISDBHSA-N 1 2 361.453 3.309 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(-c2ccncc2)n1 ZINC000279349707 497414512 /nfs/dbraw/zinc/41/45/12/497414512.db2.gz FXSDSHKCBVDUFM-GOSISDBHSA-N 1 2 361.453 3.309 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000572174476 505906867 /nfs/dbraw/zinc/90/68/67/505906867.db2.gz SHSHDOATLJPBIF-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cc(C#N)ccc1F ZINC000190508196 497510017 /nfs/dbraw/zinc/51/00/17/497510017.db2.gz FUUVDRZAUXEKEN-UHFFFAOYSA-N 1 2 357.433 3.078 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)CC1 ZINC000190950523 497657590 /nfs/dbraw/zinc/65/75/90/497657590.db2.gz ZGINKVOCRRFTAG-UHFFFAOYSA-N 1 2 356.451 3.205 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000268119055 497681005 /nfs/dbraw/zinc/68/10/05/497681005.db2.gz BAHHFBMFPYDGIQ-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622280 497681867 /nfs/dbraw/zinc/68/18/67/497681867.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)[nH]1 ZINC000272622280 497681869 /nfs/dbraw/zinc/68/18/69/497681869.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000272622280 497681870 /nfs/dbraw/zinc/68/18/70/497681870.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000272622280 497681874 /nfs/dbraw/zinc/68/18/74/497681874.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n[nH]1 ZINC000272622280 497681876 /nfs/dbraw/zinc/68/18/76/497681876.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n[nH]1 ZINC000272622280 497681878 /nfs/dbraw/zinc/68/18/78/497681878.db2.gz YNKOBEOZKBAUQO-AWEZNQCLSA-N 1 2 360.259 3.127 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCOC)Cc1cccnc1 ZINC000191236100 497751731 /nfs/dbraw/zinc/75/17/31/497751731.db2.gz VYQCWMCURQIRJE-UHFFFAOYSA-N 1 2 371.506 3.447 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCOC)Cc1cccnc1 ZINC000191236100 497751736 /nfs/dbraw/zinc/75/17/36/497751736.db2.gz VYQCWMCURQIRJE-UHFFFAOYSA-N 1 2 371.506 3.447 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3nccs3)C2)C1=O ZINC000246560441 497773861 /nfs/dbraw/zinc/77/38/61/497773861.db2.gz URVIQQMPWQQMSE-ZIAGYGMSSA-N 1 2 358.492 3.061 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nccs3)C2)C1=O ZINC000246560441 497773865 /nfs/dbraw/zinc/77/38/65/497773865.db2.gz URVIQQMPWQQMSE-ZIAGYGMSSA-N 1 2 358.492 3.061 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)sc1C ZINC000280530585 497781918 /nfs/dbraw/zinc/78/19/18/497781918.db2.gz SIXKCJBMQRXDOU-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)sc1C ZINC000280530585 497781922 /nfs/dbraw/zinc/78/19/22/497781922.db2.gz SIXKCJBMQRXDOU-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000246828663 497814564 /nfs/dbraw/zinc/81/45/64/497814564.db2.gz CHDYDPOIBYQCJO-PBHICJAKSA-N 1 2 365.930 3.438 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000246828663 497814565 /nfs/dbraw/zinc/81/45/65/497814565.db2.gz CHDYDPOIBYQCJO-PBHICJAKSA-N 1 2 365.930 3.438 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC(=O)N1 ZINC000329621998 497849021 /nfs/dbraw/zinc/84/90/21/497849021.db2.gz UNXMZHNKZSELCB-DLBZAZTESA-N 1 2 358.486 3.167 20 30 FGEDLO O=C(C[N@@H+]1CCC2(C1)Oc1ccccc1O2)N[C@@H]1CCOc2ccccc21 ZINC000329680910 497868023 /nfs/dbraw/zinc/86/80/23/497868023.db2.gz YAZMSSKQXUBBAO-MRXNPFEDSA-N 1 2 366.417 3.340 20 30 FGEDLO O=C(C[N@H+]1CCC2(C1)Oc1ccccc1O2)N[C@@H]1CCOc2ccccc21 ZINC000329680910 497868031 /nfs/dbraw/zinc/86/80/31/497868031.db2.gz YAZMSSKQXUBBAO-MRXNPFEDSA-N 1 2 366.417 3.340 20 30 FGEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329699893 497873485 /nfs/dbraw/zinc/87/34/85/497873485.db2.gz GHSMJRNLFRUERA-NRFANRHFSA-N 1 2 370.497 3.155 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000329737351 497883840 /nfs/dbraw/zinc/88/38/40/497883840.db2.gz MBUBEDDKPRMBBT-QAPCUYQASA-N 1 2 356.495 3.280 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000329737351 497883846 /nfs/dbraw/zinc/88/38/46/497883846.db2.gz MBUBEDDKPRMBBT-QAPCUYQASA-N 1 2 356.495 3.280 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000292147651 497899410 /nfs/dbraw/zinc/89/94/10/497899410.db2.gz JYKPYEKCQLERSZ-INIZCTEOSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000292147651 497899415 /nfs/dbraw/zinc/89/94/15/497899415.db2.gz JYKPYEKCQLERSZ-INIZCTEOSA-N 1 2 352.419 3.323 20 30 FGEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)cc[nH+]1 ZINC000329825708 497915818 /nfs/dbraw/zinc/91/58/18/497915818.db2.gz QZUKLKMVVBWCTM-QGZVFWFLSA-N 1 2 357.502 3.324 20 30 FGEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000329893807 497942281 /nfs/dbraw/zinc/94/22/81/497942281.db2.gz AYYWLYYMQJNYJD-KRWDZBQOSA-N 1 2 352.504 3.175 20 30 FGEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329901830 497945127 /nfs/dbraw/zinc/94/51/27/497945127.db2.gz OXFBWOVWVLIKRB-LJQANCHMSA-N 1 2 372.513 3.461 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901682 497945309 /nfs/dbraw/zinc/94/53/09/497945309.db2.gz OURNRTDIZAGAJH-CLCXKQKWSA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901682 497945316 /nfs/dbraw/zinc/94/53/16/497945316.db2.gz OURNRTDIZAGAJH-CLCXKQKWSA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[C@H](C2CC2)O1 ZINC000329913688 497951068 /nfs/dbraw/zinc/95/10/68/497951068.db2.gz OTELDJKVULABNN-VQIMIIECSA-N 1 2 372.513 3.375 20 30 FGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CC(F)F)CC1 ZINC000280947700 497962949 /nfs/dbraw/zinc/96/29/49/497962949.db2.gz MBRMZDYZMBXTFD-UHFFFAOYSA-N 1 2 374.353 3.150 20 30 FGEDLO CCc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000301127646 497964054 /nfs/dbraw/zinc/96/40/54/497964054.db2.gz PEWYHANSYPJXMT-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC(=O)N1 ZINC000329951825 497966363 /nfs/dbraw/zinc/96/63/63/497966363.db2.gz CTLYYGJMKGNBKO-MQYQWHSLSA-N 1 2 353.463 3.372 20 30 FGEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC(=O)N1 ZINC000329951825 497966370 /nfs/dbraw/zinc/96/63/70/497966370.db2.gz CTLYYGJMKGNBKO-MQYQWHSLSA-N 1 2 353.463 3.372 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000301231951 498012051 /nfs/dbraw/zinc/01/20/51/498012051.db2.gz FVQQHPJWZXNOLJ-NVXWUHKLSA-N 1 2 374.916 3.029 20 30 FGEDLO Cc1nnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(C#N)c1C ZINC000301233585 498012581 /nfs/dbraw/zinc/01/25/81/498012581.db2.gz GPSYAIKHQQGWGW-CQSZACIVSA-N 1 2 357.408 3.320 20 30 FGEDLO Cc1nnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(C#N)c1C ZINC000301233585 498012585 /nfs/dbraw/zinc/01/25/85/498012585.db2.gz GPSYAIKHQQGWGW-CQSZACIVSA-N 1 2 357.408 3.320 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000330098874 498020176 /nfs/dbraw/zinc/02/01/76/498020176.db2.gz CINDGRKRKOUVJR-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000330098874 498020181 /nfs/dbraw/zinc/02/01/81/498020181.db2.gz CINDGRKRKOUVJR-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098057 498020338 /nfs/dbraw/zinc/02/03/38/498020338.db2.gz BJYMFYWJFKQBQZ-GQIGUUNPSA-N 1 2 362.470 3.332 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098057 498020344 /nfs/dbraw/zinc/02/03/44/498020344.db2.gz BJYMFYWJFKQBQZ-GQIGUUNPSA-N 1 2 362.470 3.332 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCO[C@@H](C2CC2)C1 ZINC000330111258 498026167 /nfs/dbraw/zinc/02/61/67/498026167.db2.gz AYCLYQPFGLBLSK-LJQANCHMSA-N 1 2 364.449 3.258 20 30 FGEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000330130408 498032476 /nfs/dbraw/zinc/03/24/76/498032476.db2.gz OZLFTSWQHMQKJP-MTCRFPMVSA-N 1 2 365.481 3.032 20 30 FGEDLO COc1cccc([C@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000330171805 498049112 /nfs/dbraw/zinc/04/91/12/498049112.db2.gz FTPXQAPFIUBABU-JKSUJKDBSA-N 1 2 356.470 3.358 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1(C)C ZINC000296492303 498065740 /nfs/dbraw/zinc/06/57/40/498065740.db2.gz XMFOIBCALHXPPM-HNNXBMFYSA-N 1 2 354.458 3.463 20 30 FGEDLO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330277341 498091185 /nfs/dbraw/zinc/09/11/85/498091185.db2.gz OBNBAYQTLYMTQT-SJORKVTESA-N 1 2 370.501 3.427 20 30 FGEDLO N#Cc1ccc(OCCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000301469969 498123240 /nfs/dbraw/zinc/12/32/40/498123240.db2.gz SHYCGBMKALTXLK-UHFFFAOYSA-N 1 2 356.389 3.178 20 30 FGEDLO CCOC(=O)c1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000292786764 498147260 /nfs/dbraw/zinc/14/72/60/498147260.db2.gz ZOPXVVDUHFZMKX-UHFFFAOYSA-N 1 2 371.462 3.235 20 30 FGEDLO C=CCOCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000292825390 498160255 /nfs/dbraw/zinc/16/02/55/498160255.db2.gz YHXHRVDYIOOQAA-ZDUSSCGKSA-N 1 2 350.463 3.324 20 30 FGEDLO C[C@H](c1nnc(SCCOCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000292843198 498167860 /nfs/dbraw/zinc/16/78/60/498167860.db2.gz ZVXWTGXNEUOVQW-CYBMUJFWSA-N 1 2 363.462 3.051 20 30 FGEDLO CC(C)c1scnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289513744 498175344 /nfs/dbraw/zinc/17/53/44/498175344.db2.gz APRLLTNPUSOZEH-UHFFFAOYSA-N 1 2 354.479 3.096 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000301690011 498224867 /nfs/dbraw/zinc/22/48/67/498224867.db2.gz YGQWELLICZOMQT-UHFFFAOYSA-N 1 2 366.425 3.008 20 30 FGEDLO C[NH+](C)c1ccc(N2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000301690011 498224870 /nfs/dbraw/zinc/22/48/70/498224870.db2.gz YGQWELLICZOMQT-UHFFFAOYSA-N 1 2 366.425 3.008 20 30 FGEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)n1 ZINC000364998492 498248008 /nfs/dbraw/zinc/24/80/08/498248008.db2.gz MJXKWYQWNOFAOY-UHFFFAOYSA-N 1 2 357.483 3.017 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000360403159 498272333 /nfs/dbraw/zinc/27/23/33/498272333.db2.gz WYEDTYLUCUJMDV-OALUTQOASA-N 1 2 357.417 3.179 20 30 FGEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(F)c(Br)c2)CCO1 ZINC000331237660 498282682 /nfs/dbraw/zinc/28/26/82/498282682.db2.gz HUWJMDRQUULSJS-UHFFFAOYSA-N 1 2 374.254 3.025 20 30 FGEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(F)c(Br)c2)CCO1 ZINC000331237660 498282687 /nfs/dbraw/zinc/28/26/87/498282687.db2.gz HUWJMDRQUULSJS-UHFFFAOYSA-N 1 2 374.254 3.025 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000281827371 498284084 /nfs/dbraw/zinc/28/40/84/498284084.db2.gz PPJBLCBMXRCZIX-ICSRJNTNSA-N 1 2 372.513 3.098 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365114752 498302310 /nfs/dbraw/zinc/30/23/10/498302310.db2.gz DZCKBAINCQUGLL-UHFFFAOYSA-N 1 2 355.467 3.109 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365133221 498315202 /nfs/dbraw/zinc/31/52/02/498315202.db2.gz CNIZISIDLDAMRP-HNNXBMFYSA-N 1 2 354.903 3.169 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365133221 498315207 /nfs/dbraw/zinc/31/52/07/498315207.db2.gz CNIZISIDLDAMRP-HNNXBMFYSA-N 1 2 354.903 3.169 20 30 FGEDLO CCOC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000281934038 498324334 /nfs/dbraw/zinc/32/43/34/498324334.db2.gz IFTSLQMYTHHDSM-UHFFFAOYSA-N 1 2 362.445 3.291 20 30 FGEDLO CCOC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000281934038 498324339 /nfs/dbraw/zinc/32/43/39/498324339.db2.gz IFTSLQMYTHHDSM-UHFFFAOYSA-N 1 2 362.445 3.291 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289855736 498324832 /nfs/dbraw/zinc/32/48/32/498324832.db2.gz KWWXZXBDBSIJFC-MAUKXSAKSA-N 1 2 371.872 3.119 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289855736 498324838 /nfs/dbraw/zinc/32/48/38/498324838.db2.gz KWWXZXBDBSIJFC-MAUKXSAKSA-N 1 2 371.872 3.119 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520073 506006513 /nfs/dbraw/zinc/00/65/13/506006513.db2.gz FCEGKZHYGCKPQY-XPKDYRNWSA-N 1 2 352.356 3.351 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520073 506006517 /nfs/dbraw/zinc/00/65/17/506006517.db2.gz FCEGKZHYGCKPQY-XPKDYRNWSA-N 1 2 352.356 3.351 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1F ZINC000361068996 498340866 /nfs/dbraw/zinc/34/08/66/498340866.db2.gz IUYALRBLIOMUBP-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C#N)c1CC ZINC000301978650 498353115 /nfs/dbraw/zinc/35/31/15/498353115.db2.gz FJIZBSHPIPORJU-OAHLLOKOSA-N 1 2 367.472 3.495 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000293541210 498407465 /nfs/dbraw/zinc/40/74/65/498407465.db2.gz QHMSUBOATNUAGS-CHWSQXEVSA-N 1 2 352.265 3.443 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282370177 498484092 /nfs/dbraw/zinc/48/40/92/498484092.db2.gz ZJUKBBWAJBFCAJ-CQSZACIVSA-N 1 2 371.510 3.294 20 30 FGEDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)ccc1C#N ZINC000331889848 498489562 /nfs/dbraw/zinc/48/95/62/498489562.db2.gz WBIOQEZJNFBLRH-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)ccc1C#N ZINC000331889848 498489569 /nfs/dbraw/zinc/48/95/69/498489569.db2.gz WBIOQEZJNFBLRH-UHFFFAOYSA-N 1 2 355.463 3.392 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000569912546 506045770 /nfs/dbraw/zinc/04/57/70/506045770.db2.gz IAPYWBBOAJMUSR-IEBWSBKVSA-N 1 2 363.465 3.189 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000569912546 506045773 /nfs/dbraw/zinc/04/57/73/506045773.db2.gz IAPYWBBOAJMUSR-IEBWSBKVSA-N 1 2 363.465 3.189 20 30 FGEDLO CN(C(=O)NCC1CCC(C#N)CC1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298112014 498667530 /nfs/dbraw/zinc/66/75/30/498667530.db2.gz XLKGUCLGJQQZDF-LEOMRAHMSA-N 1 2 351.454 3.470 20 30 FGEDLO CN(C(=O)NCC1CCC(C#N)CC1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298112003 498667942 /nfs/dbraw/zinc/66/79/42/498667942.db2.gz XLKGUCLGJQQZDF-HTWSVDAQSA-N 1 2 351.454 3.470 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000332542788 498718818 /nfs/dbraw/zinc/71/88/18/498718818.db2.gz YACKVDLEIWGQFY-RBUKOAKNSA-N 1 2 357.454 3.185 20 30 FGEDLO Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000332544139 498720762 /nfs/dbraw/zinc/72/07/62/498720762.db2.gz ZBSGQIHWBMLRAY-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO Cc1nsc(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)c1C#N ZINC000579063324 506084257 /nfs/dbraw/zinc/08/42/57/506084257.db2.gz ZVFAAPLDWHCINZ-NSCUHMNNSA-N 1 2 360.433 3.437 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000287586285 498805571 /nfs/dbraw/zinc/80/55/71/498805571.db2.gz CNVYORXTFRWDCY-LSDHHAIUSA-N 1 2 353.285 3.027 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000287586285 498805566 /nfs/dbraw/zinc/80/55/66/498805566.db2.gz CNVYORXTFRWDCY-LSDHHAIUSA-N 1 2 353.285 3.027 20 30 FGEDLO Cn1nc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)nc1N ZINC000298623969 498832833 /nfs/dbraw/zinc/83/28/33/498832833.db2.gz VCGYIJJJQRPHNE-IBGZPJMESA-N 1 2 358.449 3.273 20 30 FGEDLO Cn1nc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C#N)cc2)nc1N ZINC000298623969 498832838 /nfs/dbraw/zinc/83/28/38/498832838.db2.gz VCGYIJJJQRPHNE-IBGZPJMESA-N 1 2 358.449 3.273 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC000298677499 498846426 /nfs/dbraw/zinc/84/64/26/498846426.db2.gz URVMJABORSIGSB-OAHLLOKOSA-N 1 2 351.454 3.360 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCC(=O)N3)c[nH+]2)C[C@@H](C)O1 ZINC000328634440 498882895 /nfs/dbraw/zinc/88/28/95/498882895.db2.gz BLVITMUXTCWOGZ-INMHGKMJSA-N 1 2 374.485 3.441 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCc1ccco1 ZINC000328640849 498885549 /nfs/dbraw/zinc/88/55/49/498885549.db2.gz QGNZMMVWMVPHNM-KBPBESRZSA-N 1 2 351.447 3.300 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCc1ccco1 ZINC000328640849 498885556 /nfs/dbraw/zinc/88/55/56/498885556.db2.gz QGNZMMVWMVPHNM-KBPBESRZSA-N 1 2 351.447 3.300 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CCC2 ZINC000328643758 498887168 /nfs/dbraw/zinc/88/71/68/498887168.db2.gz AKNAJZUZJZAVKN-CABCVRRESA-N 1 2 372.494 3.392 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000328657466 498893336 /nfs/dbraw/zinc/89/33/36/498893336.db2.gz PAYCAKIQVILZET-UHFFFAOYSA-N 1 2 367.497 3.152 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363626049 498911389 /nfs/dbraw/zinc/91/13/89/498911389.db2.gz GUKXGCDMUCAPNY-FQEVSTJZSA-N 1 2 360.461 3.384 20 30 FGEDLO CC[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328747806 498925244 /nfs/dbraw/zinc/92/52/44/498925244.db2.gz BCZBFDLPOOMFQN-CEXWTWQISA-N 1 2 373.497 3.028 20 30 FGEDLO CC[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328747806 498925250 /nfs/dbraw/zinc/92/52/50/498925250.db2.gz BCZBFDLPOOMFQN-CEXWTWQISA-N 1 2 373.497 3.028 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCCO1 ZINC000328773497 498934428 /nfs/dbraw/zinc/93/44/28/498934428.db2.gz HLQLVNTYVLQITF-GOEBONIOSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCCO1 ZINC000328773497 498934432 /nfs/dbraw/zinc/93/44/32/498934432.db2.gz HLQLVNTYVLQITF-GOEBONIOSA-N 1 2 366.531 3.421 20 30 FGEDLO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328798878 498942091 /nfs/dbraw/zinc/94/20/91/498942091.db2.gz XDPFXTGEJXIJDE-RVKKMQEKSA-N 1 2 360.502 3.362 20 30 FGEDLO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328798878 498942096 /nfs/dbraw/zinc/94/20/96/498942096.db2.gz XDPFXTGEJXIJDE-RVKKMQEKSA-N 1 2 360.502 3.362 20 30 FGEDLO COc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)cc1OCCCC#N ZINC000291473169 498954678 /nfs/dbraw/zinc/95/46/78/498954678.db2.gz FCNUTLAHRSIPKK-UHFFFAOYSA-N 1 2 352.434 3.081 20 30 FGEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000363746880 498972960 /nfs/dbraw/zinc/97/29/60/498972960.db2.gz QQGOLRAVMJVWCV-CQSZACIVSA-N 1 2 357.845 3.273 20 30 FGEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000363746880 498972967 /nfs/dbraw/zinc/97/29/67/498972967.db2.gz QQGOLRAVMJVWCV-CQSZACIVSA-N 1 2 357.845 3.273 20 30 FGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NCCOc1cccc(Cl)c1 ZINC000328923052 498988031 /nfs/dbraw/zinc/98/80/31/498988031.db2.gz MWOCGHFPRSNNTI-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO O=C(C[N@H+]1CCOCC12CCCC2)NCCOc1cccc(Cl)c1 ZINC000328923052 498988043 /nfs/dbraw/zinc/98/80/43/498988043.db2.gz MWOCGHFPRSNNTI-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC[C@@H]21 ZINC000328929816 498988880 /nfs/dbraw/zinc/98/88/80/498988880.db2.gz AJQVOSOLRGOTCX-LMMHAMTPSA-N 1 2 364.534 3.237 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC[C@@H]21 ZINC000328929816 498988886 /nfs/dbraw/zinc/98/88/86/498988886.db2.gz AJQVOSOLRGOTCX-LMMHAMTPSA-N 1 2 364.534 3.237 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC1C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000328954349 498997866 /nfs/dbraw/zinc/99/78/66/498997866.db2.gz IMYVBZDXAKYPES-NFBBTKTMSA-N 1 2 372.513 3.216 20 30 FGEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000328987518 499008101 /nfs/dbraw/zinc/00/81/01/499008101.db2.gz HHUIOIKFIVBJRP-UKBAYJJMSA-N 1 2 361.530 3.245 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cccc(Cl)c2)CCC(=O)N1C1CC1 ZINC000328997376 499009895 /nfs/dbraw/zinc/00/98/95/499009895.db2.gz FUVMIDGBCNJBQU-CRAIPNDOSA-N 1 2 372.856 3.273 20 30 FGEDLO Cc1csc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000582070585 506126632 /nfs/dbraw/zinc/12/66/32/506126632.db2.gz PPCRBLLMQPGGJN-UHFFFAOYSA-N 1 2 357.361 3.351 20 30 FGEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314649 499021942 /nfs/dbraw/zinc/02/19/42/499021942.db2.gz DUHTXXXSJQBKQL-WMZOPIPTSA-N 1 2 372.428 3.001 20 30 FGEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000299314649 499021946 /nfs/dbraw/zinc/02/19/46/499021946.db2.gz DUHTXXXSJQBKQL-WMZOPIPTSA-N 1 2 372.428 3.001 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000329230553 499078769 /nfs/dbraw/zinc/07/87/69/499078769.db2.gz DONLTVCKPAPYGO-UHFFFAOYSA-N 1 2 354.454 3.092 20 30 FGEDLO COc1cc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)ccc1C#N ZINC000366921150 499116206 /nfs/dbraw/zinc/11/62/06/499116206.db2.gz JUSTWGRFZGAYIR-LJQANCHMSA-N 1 2 350.397 3.319 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000329407855 499116463 /nfs/dbraw/zinc/11/64/63/499116463.db2.gz CHKDTYUWYUKVHC-CZUORRHYSA-N 1 2 358.417 3.176 20 30 FGEDLO Cc1cc(=O)c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1C1CC1 ZINC000329451735 499123429 /nfs/dbraw/zinc/12/34/29/499123429.db2.gz OYPJSKKQWZKCST-AWEZNQCLSA-N 1 2 368.481 3.305 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1 ZINC000366985059 499126408 /nfs/dbraw/zinc/12/64/08/499126408.db2.gz XGCAMLULABCJDV-HNNXBMFYSA-N 1 2 350.532 3.278 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1 ZINC000366985059 499126410 /nfs/dbraw/zinc/12/64/10/499126410.db2.gz XGCAMLULABCJDV-HNNXBMFYSA-N 1 2 350.532 3.278 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)[nH]n1 ZINC000370206688 499197539 /nfs/dbraw/zinc/19/75/39/499197539.db2.gz CIKIXBRPWJNXJG-AWEZNQCLSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)[nH]n1 ZINC000370206688 499197541 /nfs/dbraw/zinc/19/75/41/499197541.db2.gz CIKIXBRPWJNXJG-AWEZNQCLSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n[nH]1 ZINC000370206688 499197543 /nfs/dbraw/zinc/19/75/43/499197543.db2.gz CIKIXBRPWJNXJG-AWEZNQCLSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)n[nH]1 ZINC000370206688 499197545 /nfs/dbraw/zinc/19/75/45/499197545.db2.gz CIKIXBRPWJNXJG-AWEZNQCLSA-N 1 2 357.483 3.086 20 30 FGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)C1CCCC1 ZINC000370362831 499213053 /nfs/dbraw/zinc/21/30/53/499213053.db2.gz DIYSIJXKKVOOGI-SFHVURJKSA-N 1 2 354.429 3.236 20 30 FGEDLO C=CCC(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000370441394 499221092 /nfs/dbraw/zinc/22/10/92/499221092.db2.gz MDCRHPJIRMIOOC-IBGZPJMESA-N 1 2 369.465 3.411 20 30 FGEDLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679873 499224195 /nfs/dbraw/zinc/22/41/95/499224195.db2.gz XHKPKYDJPGGALS-KBXCAEBGSA-N 1 2 354.406 3.381 20 30 FGEDLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679873 499224197 /nfs/dbraw/zinc/22/41/97/499224197.db2.gz XHKPKYDJPGGALS-KBXCAEBGSA-N 1 2 354.406 3.381 20 30 FGEDLO C#C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367817405 499235589 /nfs/dbraw/zinc/23/55/89/499235589.db2.gz YBVNTUWATDPZGC-MLGOLLRUSA-N 1 2 360.820 3.086 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000368915353 499346031 /nfs/dbraw/zinc/34/60/31/499346031.db2.gz ZVFDAQCPZLFTKJ-FUHWJXTLSA-N 1 2 355.463 3.146 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000368915353 499346033 /nfs/dbraw/zinc/34/60/33/499346033.db2.gz ZVFDAQCPZLFTKJ-FUHWJXTLSA-N 1 2 355.463 3.146 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000369124968 499368209 /nfs/dbraw/zinc/36/82/09/499368209.db2.gz FYSUSZKQOPMEAP-DYESRHJHSA-N 1 2 350.466 3.111 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000369124968 499368211 /nfs/dbraw/zinc/36/82/11/499368211.db2.gz FYSUSZKQOPMEAP-DYESRHJHSA-N 1 2 350.466 3.111 20 30 FGEDLO CSc1cccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000369204456 499377048 /nfs/dbraw/zinc/37/70/48/499377048.db2.gz GFFYJCRTVKHAMI-UHFFFAOYSA-N 1 2 366.490 3.299 20 30 FGEDLO CCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000369206121 499377229 /nfs/dbraw/zinc/37/72/29/499377229.db2.gz ULQHEHNQHOVPKA-LJQANCHMSA-N 1 2 359.433 3.247 20 30 FGEDLO N#C[C@]1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CCc2ccccc2C1 ZINC000371998721 499388069 /nfs/dbraw/zinc/38/80/69/499388069.db2.gz LXKQYHKAVRGOSE-NRFANRHFSA-N 1 2 368.400 3.268 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000373252178 499459913 /nfs/dbraw/zinc/45/99/13/499459913.db2.gz LDSJXKDUOMWVDV-OAHLLOKOSA-N 1 2 360.417 3.180 20 30 FGEDLO N#CCc1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000373509511 499474025 /nfs/dbraw/zinc/47/40/25/499474025.db2.gz NQSTZYAJJNFRST-UHFFFAOYSA-N 1 2 374.366 3.129 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(Cl)cccc3C#N)CC2)no1 ZINC000373643580 499481555 /nfs/dbraw/zinc/48/15/55/499481555.db2.gz IOJCXMHBHKPBDX-OAHLLOKOSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(Cl)cccc3C#N)CC2)no1 ZINC000373643580 499481556 /nfs/dbraw/zinc/48/15/56/499481556.db2.gz IOJCXMHBHKPBDX-OAHLLOKOSA-N 1 2 359.861 3.394 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378243818 499493672 /nfs/dbraw/zinc/49/36/72/499493672.db2.gz TWEINUGZNQUHBQ-LJQANCHMSA-N 1 2 363.465 3.338 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)(c3cccnc3)CC2)C1=O ZINC000375339116 499508692 /nfs/dbraw/zinc/50/86/92/499508692.db2.gz WJKZDCXOAPHWGZ-MRXNPFEDSA-N 1 2 370.453 3.081 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407885 499514933 /nfs/dbraw/zinc/51/49/33/499514933.db2.gz ZANRMBWWDMGOPZ-XOKHGSTOSA-N 1 2 352.837 3.367 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1Cl ZINC000375407885 499514935 /nfs/dbraw/zinc/51/49/35/499514935.db2.gz ZANRMBWWDMGOPZ-XOKHGSTOSA-N 1 2 352.837 3.367 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1OC ZINC000378504378 499525232 /nfs/dbraw/zinc/52/52/32/499525232.db2.gz PMXNJDMQVKHLFO-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579339047 506151065 /nfs/dbraw/zinc/15/10/65/506151065.db2.gz KNCHTTJGBHNXFC-LJQANCHMSA-N 1 2 356.429 3.489 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579339047 506151068 /nfs/dbraw/zinc/15/10/68/506151068.db2.gz KNCHTTJGBHNXFC-LJQANCHMSA-N 1 2 356.429 3.489 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)no1 ZINC000376517112 499614729 /nfs/dbraw/zinc/61/47/29/499614729.db2.gz HMTUSWUSJDDGKC-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)no1 ZINC000376517112 499614730 /nfs/dbraw/zinc/61/47/30/499614730.db2.gz HMTUSWUSJDDGKC-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncc(C4OCCO4)s3)CC2)cc1 ZINC000377548319 499703192 /nfs/dbraw/zinc/70/31/92/499703192.db2.gz GLIWJBAJMVGKIE-UHFFFAOYSA-N 1 2 371.462 3.104 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411510241 499749255 /nfs/dbraw/zinc/74/92/55/499749255.db2.gz FQPRZRSAPOPVAO-RTBURBONSA-N 1 2 367.449 3.260 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[S@@](=O)Cc3cn4ccccc4[nH+]3)o2)cc1 ZINC000378040714 499755779 /nfs/dbraw/zinc/75/57/79/499755779.db2.gz GGHRYDCBXWUTJQ-SANMLTNESA-N 1 2 362.414 3.310 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414171226 499765580 /nfs/dbraw/zinc/76/55/80/499765580.db2.gz XFMTVOIWQTVLPY-LBPRGKRZSA-N 1 2 370.293 3.309 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414171226 499765581 /nfs/dbraw/zinc/76/55/81/499765581.db2.gz XFMTVOIWQTVLPY-LBPRGKRZSA-N 1 2 370.293 3.309 20 30 FGEDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411758989 499787403 /nfs/dbraw/zinc/78/74/03/499787403.db2.gz PFHLAXBVSINMRC-UHFFFAOYSA-N 1 2 365.861 3.252 20 30 FGEDLO CC(C)(C)CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000414666579 499818804 /nfs/dbraw/zinc/81/88/04/499818804.db2.gz VONQBWURTAGPQT-LJQANCHMSA-N 1 2 357.498 3.392 20 30 FGEDLO Cc1c2c(nc(SCCC[NH+]3CCN(C(C)C)CC3)c1C#N)CCC2 ZINC000412990680 499903020 /nfs/dbraw/zinc/90/30/20/499903020.db2.gz QHIHMTPFKUNLAB-UHFFFAOYSA-N 1 2 358.555 3.259 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000599455744 506464806 /nfs/dbraw/zinc/46/48/06/506464806.db2.gz VWGOWYBDWOQHMC-MRXNPFEDSA-N 1 2 352.221 3.499 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000599455744 506464810 /nfs/dbraw/zinc/46/48/10/506464810.db2.gz VWGOWYBDWOQHMC-MRXNPFEDSA-N 1 2 352.221 3.499 20 30 FGEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413144565 499919454 /nfs/dbraw/zinc/91/94/54/499919454.db2.gz QGOXZGBKMZMNGY-HNNXBMFYSA-N 1 2 351.410 3.053 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1Br ZINC000416083427 499946713 /nfs/dbraw/zinc/94/67/13/499946713.db2.gz VFUDZTHHVIDATF-UHFFFAOYSA-N 1 2 372.213 3.236 20 30 FGEDLO N#Cc1c2c(cnc1N1CC[NH+](Cc3ccc(Cl)s3)CC1)CCC2 ZINC000425204787 500043868 /nfs/dbraw/zinc/04/38/68/500043868.db2.gz VDZMZVSLOICORH-UHFFFAOYSA-N 1 2 358.898 3.479 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])c1 ZINC000573328505 506172934 /nfs/dbraw/zinc/17/29/34/506172934.db2.gz ORXSHJWZPCGAJM-FQEVSTJZSA-N 1 2 363.373 3.076 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])c1 ZINC000573328505 506172938 /nfs/dbraw/zinc/17/29/38/506172938.db2.gz ORXSHJWZPCGAJM-FQEVSTJZSA-N 1 2 363.373 3.076 20 30 FGEDLO Cc1cc(N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425251065 500057128 /nfs/dbraw/zinc/05/71/28/500057128.db2.gz GTDQEBFIXMFPDK-HXUWFJFHSA-N 1 2 362.477 3.370 20 30 FGEDLO CC(C)n1c[nH+]cc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000425332114 500077028 /nfs/dbraw/zinc/07/70/28/500077028.db2.gz CCIOOWWRYLBRIR-LJQANCHMSA-N 1 2 357.889 3.500 20 30 FGEDLO C[C@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@@H]1C(=O)OC(C)(C)C ZINC000425360441 500084485 /nfs/dbraw/zinc/08/44/85/500084485.db2.gz VSEBGZIAGFIHIH-KSSFIOAISA-N 1 2 354.454 3.148 20 30 FGEDLO COC(=O)[C@@H](CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419833 500099763 /nfs/dbraw/zinc/09/97/63/500099763.db2.gz LNWNCSVYBOLONT-LEWJYISDSA-N 1 2 364.445 3.278 20 30 FGEDLO COC(=O)[C@@H](CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419833 500099767 /nfs/dbraw/zinc/09/97/67/500099767.db2.gz LNWNCSVYBOLONT-LEWJYISDSA-N 1 2 364.445 3.278 20 30 FGEDLO COC(=O)[C@@H](CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419838 500100680 /nfs/dbraw/zinc/10/06/80/500100680.db2.gz LNWNCSVYBOLONT-SFTDATJTSA-N 1 2 364.445 3.278 20 30 FGEDLO COC(=O)[C@@H](CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000425419838 500100681 /nfs/dbraw/zinc/10/06/81/500100681.db2.gz LNWNCSVYBOLONT-SFTDATJTSA-N 1 2 364.445 3.278 20 30 FGEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000421651226 500106819 /nfs/dbraw/zinc/10/68/19/500106819.db2.gz JKJDAMTVALYGDC-HXUWFJFHSA-N 1 2 363.486 3.237 20 30 FGEDLO C[C@H](C#N)N(CC[N@@H+]1CCO[C@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425536025 500135881 /nfs/dbraw/zinc/13/58/81/500135881.db2.gz NZXRWZIRZABIDM-HUUCEWRRSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@H](C#N)N(CC[N@H+]1CCO[C@H](C)C1)Cc1cccc(C(F)(F)F)c1 ZINC000425536025 500135884 /nfs/dbraw/zinc/13/58/84/500135884.db2.gz NZXRWZIRZABIDM-HUUCEWRRSA-N 1 2 355.404 3.140 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000414094879 500152174 /nfs/dbraw/zinc/15/21/74/500152174.db2.gz JFYRNVWZMQUWPG-QGZVFWFLSA-N 1 2 366.490 3.324 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000414094879 500152177 /nfs/dbraw/zinc/15/21/77/500152177.db2.gz JFYRNVWZMQUWPG-QGZVFWFLSA-N 1 2 366.490 3.324 20 30 FGEDLO COc1cc(C[NH2+]CC2(C#N)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000418137392 500235295 /nfs/dbraw/zinc/23/52/95/500235295.db2.gz DSCPUHYVQQUGAD-UHFFFAOYSA-N 1 2 355.341 3.031 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(F)c2C#N)CC1 ZINC000573381194 506183945 /nfs/dbraw/zinc/18/39/45/506183945.db2.gz XGNDKXNALSXPGF-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(F)c2C#N)CC1 ZINC000573381194 506183948 /nfs/dbraw/zinc/18/39/48/506183948.db2.gz XGNDKXNALSXPGF-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000431033738 500326638 /nfs/dbraw/zinc/32/66/38/500326638.db2.gz JTANXDJGDCKEAZ-UHFFFAOYSA-N 1 2 353.376 3.050 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCC(=O)Nc2cccc(C#N)c2)c1C(=O)OC ZINC000419048622 500337637 /nfs/dbraw/zinc/33/76/37/500337637.db2.gz WGIKKUIOHGQPEF-UHFFFAOYSA-N 1 2 367.405 3.018 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432284150 500493526 /nfs/dbraw/zinc/49/35/26/500493526.db2.gz KIKGKVQNSGARIW-UHFFFAOYSA-N 1 2 359.433 3.088 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000428395786 500504924 /nfs/dbraw/zinc/50/49/24/500504924.db2.gz FJJAVLLNUOAOGD-MRXNPFEDSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000428395786 500504927 /nfs/dbraw/zinc/50/49/27/500504927.db2.gz FJJAVLLNUOAOGD-MRXNPFEDSA-N 1 2 356.376 3.232 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCOCC1 ZINC000424540901 500514712 /nfs/dbraw/zinc/51/47/12/500514712.db2.gz JITNYCCURDRWAB-UHFFFAOYSA-N 1 2 362.901 3.357 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420890333 500523060 /nfs/dbraw/zinc/52/30/60/500523060.db2.gz QJLLVYLCGAOBDZ-CYBMUJFWSA-N 1 2 360.508 3.270 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000582399130 506202588 /nfs/dbraw/zinc/20/25/88/506202588.db2.gz YGIYQDSBTYWGQP-LRYKZCBQSA-N 1 2 368.477 3.442 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000582399130 506202592 /nfs/dbraw/zinc/20/25/92/506202592.db2.gz YGIYQDSBTYWGQP-LRYKZCBQSA-N 1 2 368.477 3.442 20 30 FGEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428768648 500554783 /nfs/dbraw/zinc/55/47/83/500554783.db2.gz AXHNCWPFGSKBAT-IBGZPJMESA-N 1 2 365.433 3.208 20 30 FGEDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428768648 500554786 /nfs/dbraw/zinc/55/47/86/500554786.db2.gz AXHNCWPFGSKBAT-IBGZPJMESA-N 1 2 365.433 3.208 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000433117049 500630226 /nfs/dbraw/zinc/63/02/26/500630226.db2.gz MLRDOGXIQPPHRO-HXUWFJFHSA-N 1 2 363.461 3.230 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433350457 500677959 /nfs/dbraw/zinc/67/79/59/500677959.db2.gz FQUKKZXLVZDPMA-QUCCMNQESA-N 1 2 362.477 3.059 20 30 FGEDLO C=CCCCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448035486 500710575 /nfs/dbraw/zinc/71/05/75/500710575.db2.gz QKAKIKWLYTUPCJ-UHFFFAOYSA-N 1 2 351.878 3.012 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000437938314 500718686 /nfs/dbraw/zinc/71/86/86/500718686.db2.gz XMDRBDQJYXPHGV-RBUKOAKNSA-N 1 2 360.502 3.066 20 30 FGEDLO Cc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000448146066 500724083 /nfs/dbraw/zinc/72/40/83/500724083.db2.gz MECYQGTVVWZQLM-UHFFFAOYSA-N 1 2 370.456 3.373 20 30 FGEDLO C=CC[C@H](CO)CNC(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434255524 500817019 /nfs/dbraw/zinc/81/70/19/500817019.db2.gz VYMQTELTGFROAK-KBXCAEBGSA-N 1 2 368.880 3.307 20 30 FGEDLO CN(C)c1[nH+]cccc1CNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000439100853 500856476 /nfs/dbraw/zinc/85/64/76/500856476.db2.gz UIFNECOOWHXLFI-UHFFFAOYSA-N 1 2 357.339 3.019 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580201 506221797 /nfs/dbraw/zinc/22/17/97/506221797.db2.gz SVHMJEZGQSTDFG-MNOVXSKESA-N 1 2 369.437 3.139 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580201 506221799 /nfs/dbraw/zinc/22/17/99/506221799.db2.gz SVHMJEZGQSTDFG-MNOVXSKESA-N 1 2 369.437 3.139 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435604655 501000713 /nfs/dbraw/zinc/00/07/13/501000713.db2.gz DXRIANANTWZOSQ-HNAYVOBHSA-N 1 2 368.437 3.429 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCCC1 ZINC000449637208 501047369 /nfs/dbraw/zinc/04/73/69/501047369.db2.gz YTWLXYONAPZNLJ-CALCHBBNSA-N 1 2 357.498 3.448 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000436084121 501068143 /nfs/dbraw/zinc/06/81/43/501068143.db2.gz QHSYKVNTHQTMKQ-MRXNPFEDSA-N 1 2 354.797 3.366 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)s1 ZINC000441009688 501074320 /nfs/dbraw/zinc/07/43/20/501074320.db2.gz LJJGUMXSKRPPEP-UHFFFAOYSA-N 1 2 374.554 3.468 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(C)[nH+]1 ZINC000455495943 501318168 /nfs/dbraw/zinc/31/81/68/501318168.db2.gz OPXCMRWOBPCYRG-SFHVURJKSA-N 1 2 350.422 3.484 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000455548469 501331267 /nfs/dbraw/zinc/33/12/67/501331267.db2.gz TXHWTYHZDLYJSA-CQSZACIVSA-N 1 2 372.469 3.347 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CCC2 ZINC000456000246 501435439 /nfs/dbraw/zinc/43/54/39/501435439.db2.gz QZDDNTBXHFNBDU-GOSISDBHSA-N 1 2 350.466 3.326 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458585249 501481017 /nfs/dbraw/zinc/48/10/17/501481017.db2.gz FPXJAVRGSWPVMS-HZPDHXFCSA-N 1 2 366.868 3.415 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458585249 501481020 /nfs/dbraw/zinc/48/10/20/501481020.db2.gz FPXJAVRGSWPVMS-HZPDHXFCSA-N 1 2 366.868 3.415 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1C#N ZINC000456259051 501482584 /nfs/dbraw/zinc/48/25/84/501482584.db2.gz DPIHWFFPCJJQBZ-MRXNPFEDSA-N 1 2 368.462 3.182 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2[nH+]ccn21 ZINC000456377556 501512729 /nfs/dbraw/zinc/51/27/29/501512729.db2.gz LBVQMCWTOOUSCF-SUMWQHHRSA-N 1 2 362.389 3.363 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)C3(c4cccc(C#N)c4)CC3)ccc2n1[C@@H](C)CO ZINC000456713140 501584414 /nfs/dbraw/zinc/58/44/14/501584414.db2.gz MTOHFTDICDFIGY-AWEZNQCLSA-N 1 2 374.444 3.440 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCC(C)(C)CC#N ZINC000459231673 501616699 /nfs/dbraw/zinc/61/66/99/501616699.db2.gz GWGRRWCLTQQFJT-GJZGRUSLSA-N 1 2 366.506 3.242 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCC(C)(C)CC#N ZINC000459231673 501616700 /nfs/dbraw/zinc/61/67/00/501616700.db2.gz GWGRRWCLTQQFJT-GJZGRUSLSA-N 1 2 366.506 3.242 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000459335461 501633718 /nfs/dbraw/zinc/63/37/18/501633718.db2.gz AKDSETFZPUHNHG-LJQANCHMSA-N 1 2 351.406 3.338 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000459335461 501633721 /nfs/dbraw/zinc/63/37/21/501633721.db2.gz AKDSETFZPUHNHG-LJQANCHMSA-N 1 2 351.406 3.338 20 30 FGEDLO N#CCC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)CC1CC1 ZINC000478017557 501855266 /nfs/dbraw/zinc/85/52/66/501855266.db2.gz OYAVQWHHIYCRRW-UHFFFAOYSA-N 1 2 353.388 3.203 20 30 FGEDLO N#CCC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)CC1CC1 ZINC000478017557 501855271 /nfs/dbraw/zinc/85/52/71/501855271.db2.gz OYAVQWHHIYCRRW-UHFFFAOYSA-N 1 2 353.388 3.203 20 30 FGEDLO CN(C)c1[nH]c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2[nH+]1 ZINC000468021849 501932207 /nfs/dbraw/zinc/93/22/07/501932207.db2.gz XIKVUNAELQKBNK-UHFFFAOYSA-N 1 2 363.421 3.297 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000471204071 501954620 /nfs/dbraw/zinc/95/46/20/501954620.db2.gz OMEUZQGCSRAAEW-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(C)n2)cc1 ZINC000471204071 501954623 /nfs/dbraw/zinc/95/46/23/501954623.db2.gz OMEUZQGCSRAAEW-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000464563152 502027348 /nfs/dbraw/zinc/02/73/48/502027348.db2.gz FRXMHHHKRFBLRG-INIZCTEOSA-N 1 2 350.890 3.465 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000464646648 502053470 /nfs/dbraw/zinc/05/34/70/502053470.db2.gz XPUADZKHZZPQMO-GOSISDBHSA-N 1 2 355.438 3.426 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000464820364 502105522 /nfs/dbraw/zinc/10/55/22/502105522.db2.gz FFVVLGXNQKPKBI-TZIWHRDSSA-N 1 2 358.445 3.168 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000464820364 502105524 /nfs/dbraw/zinc/10/55/24/502105524.db2.gz FFVVLGXNQKPKBI-TZIWHRDSSA-N 1 2 358.445 3.168 20 30 FGEDLO CCCn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475335879 502139660 /nfs/dbraw/zinc/13/96/60/502139660.db2.gz NGLDYMKXIVHUAG-IBGZPJMESA-N 1 2 357.889 3.329 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C)c(C#N)n3)[nH+]c12 ZINC000468736827 502165340 /nfs/dbraw/zinc/16/53/40/502165340.db2.gz WWMUAFIWQHPSSU-UHFFFAOYSA-N 1 2 370.254 3.057 20 30 FGEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000461785158 502200815 /nfs/dbraw/zinc/20/08/15/502200815.db2.gz NJNCOKBZVJPRNH-LIRRHRJNSA-N 1 2 362.408 3.440 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000486793021 502263024 /nfs/dbraw/zinc/26/30/24/502263024.db2.gz XAZPQKSXCDNTNX-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000465582709 502314904 /nfs/dbraw/zinc/31/49/04/502314904.db2.gz ZYSAUPUJAFPLNN-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO N#CC[C@@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000476155443 502400091 /nfs/dbraw/zinc/40/00/91/502400091.db2.gz PMVAVJRVDWYAHQ-IBGZPJMESA-N 1 2 358.445 3.272 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)s3)CC2)c1 ZINC000487279793 502407377 /nfs/dbraw/zinc/40/73/77/502407377.db2.gz OVILWTJMOVELIV-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO C=CC[N@H+](Cc1nccn1C(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211277 506312720 /nfs/dbraw/zinc/31/27/20/506312720.db2.gz NRROQSXXQXVRHZ-CYBMUJFWSA-N 1 2 359.384 3.003 20 30 FGEDLO C=CC[N@@H+](Cc1nccn1C(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211277 506312727 /nfs/dbraw/zinc/31/27/27/506312727.db2.gz NRROQSXXQXVRHZ-CYBMUJFWSA-N 1 2 359.384 3.003 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000465997826 502449567 /nfs/dbraw/zinc/44/95/67/502449567.db2.gz YDSCMERXDFOFMF-QGZVFWFLSA-N 1 2 354.498 3.354 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3ccc(F)c(C#N)c3)c[nH+]2)CC1 ZINC000469572227 502467935 /nfs/dbraw/zinc/46/79/35/502467935.db2.gz GLMPRYNPVJOQEE-UHFFFAOYSA-N 1 2 352.413 3.259 20 30 FGEDLO OCC(F)(F)C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000466474320 502581343 /nfs/dbraw/zinc/58/13/43/502581343.db2.gz OSHWQSMUXJVGSH-JTQLQIEISA-N 1 2 367.236 3.276 20 30 FGEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C)c1C ZINC000462953892 502641000 /nfs/dbraw/zinc/64/10/00/502641000.db2.gz OGOWZPYXCCGQJO-WOJBJXKFSA-N 1 2 351.450 3.392 20 30 FGEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C)c1C ZINC000462953892 502641004 /nfs/dbraw/zinc/64/10/04/502641004.db2.gz OGOWZPYXCCGQJO-WOJBJXKFSA-N 1 2 351.450 3.392 20 30 FGEDLO CCc1sc(-c2nnc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)o2)cc1C ZINC000602856467 506328937 /nfs/dbraw/zinc/32/89/37/506328937.db2.gz JVWDHFCWBOASMW-ZIAGYGMSSA-N 1 2 359.499 3.087 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000484679613 502705712 /nfs/dbraw/zinc/70/57/12/502705712.db2.gz NLDCEQHJOLXZQB-CQSZACIVSA-N 1 2 361.511 3.350 20 30 FGEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000484679613 502705719 /nfs/dbraw/zinc/70/57/19/502705719.db2.gz NLDCEQHJOLXZQB-CQSZACIVSA-N 1 2 361.511 3.350 20 30 FGEDLO Cc1[nH+]c(N[C@H]2CC[C@@H](CC#N)C2)nc(N[C@H]2CC[C@@H](CC#N)C2)c1F ZINC000596251658 506329722 /nfs/dbraw/zinc/32/97/22/506329722.db2.gz UYFOGYSVKHKFBR-VGWMRTNUSA-N 1 2 356.449 3.335 20 30 FGEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000484923674 502779046 /nfs/dbraw/zinc/77/90/46/502779046.db2.gz LFNPXKNSKHNBDC-UHFFFAOYSA-N 1 2 373.497 3.068 20 30 FGEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000484923674 502779053 /nfs/dbraw/zinc/77/90/53/502779053.db2.gz LFNPXKNSKHNBDC-UHFFFAOYSA-N 1 2 373.497 3.068 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463438569 502804425 /nfs/dbraw/zinc/80/44/25/502804425.db2.gz YKZWBCFYARAVOI-CVEARBPZSA-N 1 2 374.428 3.385 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463438569 502804429 /nfs/dbraw/zinc/80/44/29/502804429.db2.gz YKZWBCFYARAVOI-CVEARBPZSA-N 1 2 374.428 3.385 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474106487 502810744 /nfs/dbraw/zinc/81/07/44/502810744.db2.gz QALARTWURWDOQO-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000513122345 502857388 /nfs/dbraw/zinc/85/73/88/502857388.db2.gz NKBLWMCHZRMBNC-OAHLLOKOSA-N 1 2 372.490 3.251 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513122345 502857391 /nfs/dbraw/zinc/85/73/91/502857391.db2.gz NKBLWMCHZRMBNC-OAHLLOKOSA-N 1 2 372.490 3.251 20 30 FGEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000593021234 506341544 /nfs/dbraw/zinc/34/15/44/506341544.db2.gz RFAHOIIQXHKXCR-NSHDSACASA-N 1 2 359.357 3.474 20 30 FGEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000602898457 506343412 /nfs/dbraw/zinc/34/34/12/506343412.db2.gz FKTKXFMNDBOJRL-UHFFFAOYSA-N 1 2 369.490 3.038 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(Br)c3)CC2)nc1 ZINC000497487409 502970121 /nfs/dbraw/zinc/97/01/21/502970121.db2.gz BLYYRNZQYVRJOS-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000489553108 502984115 /nfs/dbraw/zinc/98/41/15/502984115.db2.gz YRGMNMHRNJMJIX-KRWDZBQOSA-N 1 2 372.509 3.431 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000489553108 502984118 /nfs/dbraw/zinc/98/41/18/502984118.db2.gz YRGMNMHRNJMJIX-KRWDZBQOSA-N 1 2 372.509 3.431 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000497753967 503033224 /nfs/dbraw/zinc/03/32/24/503033224.db2.gz WOVMMFPQCINKIF-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3noc(-c4ccsc4)n3)CC2)nc1 ZINC000602913048 506349839 /nfs/dbraw/zinc/34/98/39/506349839.db2.gz QVHTUHMKSIZUGU-UHFFFAOYSA-N 1 2 351.435 3.444 20 30 FGEDLO N#Cc1ccc(-n2nccc2NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000497964202 503076784 /nfs/dbraw/zinc/07/67/84/503076784.db2.gz QZOOHNIZWQBKQW-UHFFFAOYSA-N 1 2 368.400 3.241 20 30 FGEDLO N#Cc1ccnc(N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1Cl ZINC000588840074 506352973 /nfs/dbraw/zinc/35/29/73/506352973.db2.gz LTJDGSIXUYZAKX-OAHLLOKOSA-N 1 2 369.856 3.260 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000510871989 503207423 /nfs/dbraw/zinc/20/74/23/503207423.db2.gz JOKPETZVONEHHQ-AWEZNQCLSA-N 1 2 355.335 3.138 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(F)(C#N)CC1 ZINC000510900620 503213785 /nfs/dbraw/zinc/21/37/85/503213785.db2.gz DQAPWEAOZDQLRS-JKSUJKDBSA-N 1 2 357.473 3.459 20 30 FGEDLO C=CC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1F ZINC000511109618 503257539 /nfs/dbraw/zinc/25/75/39/503257539.db2.gz KFXKTPXQKUEDRV-UHFFFAOYSA-N 1 2 354.425 3.203 20 30 FGEDLO C=CC[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1F ZINC000511109618 503257541 /nfs/dbraw/zinc/25/75/41/503257541.db2.gz KFXKTPXQKUEDRV-UHFFFAOYSA-N 1 2 354.425 3.203 20 30 FGEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCc2ccccc21 ZINC000511590686 503350361 /nfs/dbraw/zinc/35/03/61/503350361.db2.gz GBQYFTGAKKYNQM-XMMPIXPASA-N 1 2 373.500 3.497 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)oc2C)[C@H](C)C1 ZINC000508281748 503467702 /nfs/dbraw/zinc/46/77/02/503467702.db2.gz AUHNDAGVDIBLDY-OAHLLOKOSA-N 1 2 367.449 3.205 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)oc2C)[C@H](C)C1 ZINC000508281748 503467704 /nfs/dbraw/zinc/46/77/04/503467704.db2.gz AUHNDAGVDIBLDY-OAHLLOKOSA-N 1 2 367.449 3.205 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000508333897 503477135 /nfs/dbraw/zinc/47/71/35/503477135.db2.gz YKZBFOPICLQQLO-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000508333897 503477141 /nfs/dbraw/zinc/47/71/41/503477141.db2.gz YKZBFOPICLQQLO-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000512194015 503482402 /nfs/dbraw/zinc/48/24/02/503482402.db2.gz JUHNCBAWCOZSOA-AXVVYFOYSA-N 1 2 362.514 3.479 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000512194015 503482405 /nfs/dbraw/zinc/48/24/05/503482405.db2.gz JUHNCBAWCOZSOA-AXVVYFOYSA-N 1 2 362.514 3.479 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267170 503515785 /nfs/dbraw/zinc/51/57/85/503515785.db2.gz DSRTWHWQSINXCD-UHFFFAOYSA-N 1 2 355.251 3.221 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494267170 503515787 /nfs/dbraw/zinc/51/57/87/503515787.db2.gz DSRTWHWQSINXCD-UHFFFAOYSA-N 1 2 355.251 3.221 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985211 503528300 /nfs/dbraw/zinc/52/83/00/503528300.db2.gz BYENOWVGUFHMJN-WOJBJXKFSA-N 1 2 363.461 3.085 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985211 503528306 /nfs/dbraw/zinc/52/83/06/503528306.db2.gz BYENOWVGUFHMJN-WOJBJXKFSA-N 1 2 363.461 3.085 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516543336 503532182 /nfs/dbraw/zinc/53/21/82/503532182.db2.gz PUMXEYSYVKNSEP-ZDUSSCGKSA-N 1 2 350.353 3.289 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500025037 503535645 /nfs/dbraw/zinc/53/56/45/503535645.db2.gz MQRDSQKPQJZWRF-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000500025037 503535648 /nfs/dbraw/zinc/53/56/48/503535648.db2.gz MQRDSQKPQJZWRF-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508840106 503574734 /nfs/dbraw/zinc/57/47/34/503574734.db2.gz JNXRNGZOCGJPSM-UHFFFAOYSA-N 1 2 357.889 3.317 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C#N)ccc3F)[C@H](C)C2)cc1 ZINC000504539504 503585706 /nfs/dbraw/zinc/58/57/06/503585706.db2.gz RGWVBCIUTQIPGH-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@H](C)C2)cc1 ZINC000504539504 503585708 /nfs/dbraw/zinc/58/57/08/503585708.db2.gz RGWVBCIUTQIPGH-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccsc2)no1 ZINC000516808355 503590984 /nfs/dbraw/zinc/59/09/84/503590984.db2.gz JSMOKMHLIHLUPW-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccsc2)no1 ZINC000516808355 503590987 /nfs/dbraw/zinc/59/09/87/503590987.db2.gz JSMOKMHLIHLUPW-UHFFFAOYSA-N 1 2 354.435 3.318 20 30 FGEDLO C[N@H+](Cc1ccc(CC#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000543190997 503670662 /nfs/dbraw/zinc/67/06/62/503670662.db2.gz AYTAZDXOTMJNCS-KRWDZBQOSA-N 1 2 372.266 3.174 20 30 FGEDLO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000543190997 503670667 /nfs/dbraw/zinc/67/06/67/503670667.db2.gz AYTAZDXOTMJNCS-KRWDZBQOSA-N 1 2 372.266 3.174 20 30 FGEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1F ZINC000536996070 503773667 /nfs/dbraw/zinc/77/36/67/503773667.db2.gz DCFPPACHRCOFSS-UHFFFAOYSA-N 1 2 352.388 3.026 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)NC2(C#N)CCC2)C3)cs1 ZINC000527377784 503783183 /nfs/dbraw/zinc/78/31/83/503783183.db2.gz BXVQTCQGSLJROA-UHFFFAOYSA-N 1 2 372.519 3.101 20 30 FGEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C3)cs1 ZINC000527377784 503783191 /nfs/dbraw/zinc/78/31/91/503783191.db2.gz BXVQTCQGSLJROA-UHFFFAOYSA-N 1 2 372.519 3.101 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527825522 503962023 /nfs/dbraw/zinc/96/20/23/503962023.db2.gz CYAUGOXERZPUGB-HNNXBMFYSA-N 1 2 368.868 3.055 20 30 FGEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620029 503978539 /nfs/dbraw/zinc/97/85/39/503978539.db2.gz NXAQYUVSUBGDAK-PKOBYXMFSA-N 1 2 366.465 3.150 20 30 FGEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620029 503978543 /nfs/dbraw/zinc/97/85/43/503978543.db2.gz NXAQYUVSUBGDAK-PKOBYXMFSA-N 1 2 366.465 3.150 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000544401400 504119827 /nfs/dbraw/zinc/11/98/27/504119827.db2.gz DKOZAAPOKFIPER-QGZVFWFLSA-N 1 2 350.809 3.465 20 30 FGEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000519169303 504157137 /nfs/dbraw/zinc/15/71/37/504157137.db2.gz XKHHNINOHKVXEG-UHFFFAOYSA-N 1 2 374.481 3.401 20 30 FGEDLO N#CC1(CCC[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)CCOCC1 ZINC000541928531 504306140 /nfs/dbraw/zinc/30/61/40/504306140.db2.gz GLJXZUFMYBVEAO-AREMUKBSSA-N 1 2 371.506 3.281 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC000541952967 504314497 /nfs/dbraw/zinc/31/44/97/504314497.db2.gz YBWKEMDSXWIHCC-LBPRGKRZSA-N 1 2 350.260 3.402 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)ccc1C ZINC000542211486 504407891 /nfs/dbraw/zinc/40/78/91/504407891.db2.gz AOEGLYSFOCWOLB-UHFFFAOYSA-N 1 2 363.461 3.028 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000520160164 504423127 /nfs/dbraw/zinc/42/31/27/504423127.db2.gz BCXAGRCXLFVBCW-UHFFFAOYSA-N 1 2 365.481 3.387 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000548425095 504441088 /nfs/dbraw/zinc/44/10/88/504441088.db2.gz NSDANRPPIGXHDZ-XLIONFOSSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000548425095 504441092 /nfs/dbraw/zinc/44/10/92/504441092.db2.gz NSDANRPPIGXHDZ-XLIONFOSSA-N 1 2 355.482 3.049 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1C#N ZINC000535579836 504477543 /nfs/dbraw/zinc/47/75/43/504477543.db2.gz QNVLNUNJQHKANL-UHFFFAOYSA-N 1 2 366.417 3.224 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1C#N ZINC000535579836 504477546 /nfs/dbraw/zinc/47/75/46/504477546.db2.gz QNVLNUNJQHKANL-UHFFFAOYSA-N 1 2 366.417 3.224 20 30 FGEDLO N#Cc1cccc(-c2c[nH]c(CNc3nc(C4CC4)[nH+]c4c3CCC4)n2)c1 ZINC000539238649 504508608 /nfs/dbraw/zinc/50/86/08/504508608.db2.gz NOKIDOISOFFYKP-UHFFFAOYSA-N 1 2 356.433 3.138 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccn3cc[nH+]c3c2)c1C#N ZINC000532153489 504553053 /nfs/dbraw/zinc/55/30/53/504553053.db2.gz YEDUVJAMYNPFQA-UHFFFAOYSA-N 1 2 363.446 3.130 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc3c(c2C#N)CCC3)cc1 ZINC000520800265 504585495 /nfs/dbraw/zinc/58/54/95/504585495.db2.gz LAEVKZRCRDSYDL-NRFANRHFSA-N 1 2 362.477 3.236 20 30 FGEDLO C=C(C)COCCNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000548968064 504639579 /nfs/dbraw/zinc/63/95/79/504639579.db2.gz QDLWPTXEVFTSRN-UHFFFAOYSA-N 1 2 356.470 3.326 20 30 FGEDLO Cc1nc(N(C)C)nc(N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH+]1 ZINC000542966003 504675743 /nfs/dbraw/zinc/67/57/43/504675743.db2.gz GZFGONLJSKGVGE-AWEZNQCLSA-N 1 2 358.449 3.380 20 30 FGEDLO Cc1nc(N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nc(N(C)C)[nH+]1 ZINC000542966003 504675746 /nfs/dbraw/zinc/67/57/46/504675746.db2.gz GZFGONLJSKGVGE-AWEZNQCLSA-N 1 2 358.449 3.380 20 30 FGEDLO C=CCOc1cccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000539924109 504739590 /nfs/dbraw/zinc/73/95/90/504739590.db2.gz PREFOSXOPRKDJZ-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO C=CCOc1cccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000539924109 504739592 /nfs/dbraw/zinc/73/95/92/504739592.db2.gz PREFOSXOPRKDJZ-UHFFFAOYSA-N 1 2 372.490 3.033 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000532731227 504747028 /nfs/dbraw/zinc/74/70/28/504747028.db2.gz LXGWTJFMAYPIPR-HXUWFJFHSA-N 1 2 361.445 3.486 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000532731227 504747031 /nfs/dbraw/zinc/74/70/31/504747031.db2.gz LXGWTJFMAYPIPR-HXUWFJFHSA-N 1 2 361.445 3.486 20 30 FGEDLO CCC(C)(C)OC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000529641660 504750520 /nfs/dbraw/zinc/75/05/20/504750520.db2.gz OWMINBNJARMGGL-UHFFFAOYSA-N 1 2 353.470 3.248 20 30 FGEDLO CN(C)c1[nH]c2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2[nH+]1 ZINC000549378181 504804715 /nfs/dbraw/zinc/80/47/15/504804715.db2.gz SVMQQVVWMWYJBS-UHFFFAOYSA-N 1 2 372.388 3.408 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000559263970 504812245 /nfs/dbraw/zinc/81/22/45/504812245.db2.gz OIWUJMKFAXPRMI-OCCSQVGLSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000559263970 504812247 /nfs/dbraw/zinc/81/22/47/504812247.db2.gz OIWUJMKFAXPRMI-OCCSQVGLSA-N 1 2 367.434 3.279 20 30 FGEDLO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000553885752 505032801 /nfs/dbraw/zinc/03/28/01/505032801.db2.gz KVZCKXXBCVOFPD-HNNXBMFYSA-N 1 2 363.255 3.096 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1OC ZINC000563252276 505088074 /nfs/dbraw/zinc/08/80/74/505088074.db2.gz COBCDESLVBOLAU-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566145033 505096671 /nfs/dbraw/zinc/09/66/71/505096671.db2.gz DZKGDOAWHNACNT-BOSXTWCSSA-N 1 2 373.497 3.008 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(C)c(C#N)cn1 ZINC000560496999 505104766 /nfs/dbraw/zinc/10/47/66/505104766.db2.gz FHODNJVCXXURIP-KRWDZBQOSA-N 1 2 359.433 3.225 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000563367554 505122986 /nfs/dbraw/zinc/12/29/86/505122986.db2.gz PQMTYHQWQIIDFT-RYUDHWBXSA-N 1 2 351.472 3.096 20 30 FGEDLO C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000566442589 505177407 /nfs/dbraw/zinc/17/74/07/505177407.db2.gz HNGPNUFBTNODEG-UHFFFAOYSA-N 1 2 354.454 3.252 20 30 FGEDLO CC(C)OC(=O)Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000551410896 505219770 /nfs/dbraw/zinc/21/97/70/505219770.db2.gz ILYBQKHGOJZKAH-UHFFFAOYSA-N 1 2 355.463 3.288 20 30 FGEDLO Cc1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)cc(C#N)n1 ZINC000561105075 505251489 /nfs/dbraw/zinc/25/14/89/505251489.db2.gz FNMYEJNULHBTRC-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845617 505279156 /nfs/dbraw/zinc/27/91/56/505279156.db2.gz CKUWKJSQQSXDLF-HUUCEWRRSA-N 1 2 351.372 3.139 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845617 505279159 /nfs/dbraw/zinc/27/91/59/505279159.db2.gz CKUWKJSQQSXDLF-HUUCEWRRSA-N 1 2 351.372 3.139 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccccc1Br ZINC000558061101 505298640 /nfs/dbraw/zinc/29/86/40/505298640.db2.gz CQBORBWKDAXNPY-AWEZNQCLSA-N 1 2 366.303 3.279 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccccc1Br ZINC000558061101 505298642 /nfs/dbraw/zinc/29/86/42/505298642.db2.gz CQBORBWKDAXNPY-AWEZNQCLSA-N 1 2 366.303 3.279 20 30 FGEDLO COC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc2ccccc2c1 ZINC000551804580 505313137 /nfs/dbraw/zinc/31/31/37/505313137.db2.gz BHSDUMBDFNJDPG-NRFANRHFSA-N 1 2 370.412 3.363 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccc(CO)o1 ZINC000552145548 505414997 /nfs/dbraw/zinc/41/49/97/505414997.db2.gz HIYDTZBZIDGGIO-UHFFFAOYSA-N 1 2 372.509 3.091 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccc(CO)o1 ZINC000552145548 505415000 /nfs/dbraw/zinc/41/50/00/505415000.db2.gz HIYDTZBZIDGGIO-UHFFFAOYSA-N 1 2 372.509 3.091 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000558628939 505444950 /nfs/dbraw/zinc/44/49/50/505444950.db2.gz JEUFCVPZKGZMCR-UHFFFAOYSA-N 1 2 368.525 3.415 20 30 FGEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1C#N ZINC000561857606 505452503 /nfs/dbraw/zinc/45/25/03/505452503.db2.gz UDMCAWLFVNVBTA-MRXNPFEDSA-N 1 2 361.239 3.153 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000555635297 505481255 /nfs/dbraw/zinc/48/12/55/505481255.db2.gz WUUODPNSKYDRQF-JSGCOSHPSA-N 1 2 354.429 3.384 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000555635297 505481260 /nfs/dbraw/zinc/48/12/60/505481260.db2.gz WUUODPNSKYDRQF-JSGCOSHPSA-N 1 2 354.429 3.384 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000552434924 505491012 /nfs/dbraw/zinc/49/10/12/505491012.db2.gz HKTJRESRIGCDAC-AWEZNQCLSA-N 1 2 357.454 3.207 20 30 FGEDLO C=CC[NH+]1CCC(Nc2c(C(=O)[O-])c[nH+]c3c(OC)cc(OC)cc23)CC1 ZINC000567592444 505508941 /nfs/dbraw/zinc/50/89/41/505508941.db2.gz ZULFNCCPISSDMF-UHFFFAOYSA-N 1 2 371.437 3.013 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000552688968 505535484 /nfs/dbraw/zinc/53/54/84/505535484.db2.gz WWGVREORNZZSKC-UHFFFAOYSA-N 1 2 369.852 3.184 20 30 FGEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)cc(OC)c1OCC(F)F ZINC000589056762 506425432 /nfs/dbraw/zinc/42/54/32/506425432.db2.gz QKFLLPUHNJMQCU-UHFFFAOYSA-N 1 2 363.364 3.421 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1cc(C)c(C#N)cn1 ZINC000603122689 506428380 /nfs/dbraw/zinc/42/83/80/506428380.db2.gz UNYXTUAXAFZMRZ-KRWDZBQOSA-N 1 2 374.448 3.038 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCOCC1 ZINC000599388843 506438573 /nfs/dbraw/zinc/43/85/73/506438573.db2.gz RLMBOWORRPMOGP-SFHVURJKSA-N 1 2 373.884 3.182 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCOCC1 ZINC000599388843 506438577 /nfs/dbraw/zinc/43/85/77/506438577.db2.gz RLMBOWORRPMOGP-SFHVURJKSA-N 1 2 373.884 3.182 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162794 506466758 /nfs/dbraw/zinc/46/67/58/506466758.db2.gz MRRWCPLSKLLRDM-ACJLOTCBSA-N 1 2 351.853 3.452 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162794 506466765 /nfs/dbraw/zinc/46/67/65/506466765.db2.gz MRRWCPLSKLLRDM-ACJLOTCBSA-N 1 2 351.853 3.452 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CCCC3)n2)O1 ZINC000596613392 506490635 /nfs/dbraw/zinc/49/06/35/506490635.db2.gz CAKYRINOVXBTIC-WBVHZDCISA-N 1 2 352.438 3.367 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(C3(C#N)CCCC3)n2)O1 ZINC000596613392 506490640 /nfs/dbraw/zinc/49/06/40/506490640.db2.gz CAKYRINOVXBTIC-WBVHZDCISA-N 1 2 352.438 3.367 20 30 FGEDLO COC(=O)c1cnc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)s1 ZINC000599555391 506499239 /nfs/dbraw/zinc/49/92/39/506499239.db2.gz KIEKZABXXYLBJP-UHFFFAOYSA-N 1 2 359.426 3.320 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c1C#N ZINC000589287551 506507123 /nfs/dbraw/zinc/50/71/23/506507123.db2.gz OEGSTCAHUDYIJT-UHFFFAOYSA-N 1 2 365.506 3.447 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599613414 506530207 /nfs/dbraw/zinc/53/02/07/506530207.db2.gz GVGDMSCUQXSSNU-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599613414 506530214 /nfs/dbraw/zinc/53/02/14/506530214.db2.gz GVGDMSCUQXSSNU-ZDUSSCGKSA-N 1 2 353.388 3.072 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@](C)(C#N)C3)c2C1 ZINC000612367154 506546118 /nfs/dbraw/zinc/54/61/18/506546118.db2.gz BLBVAYOSCYIWKA-QFIPXVFZSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@](C)(C#N)C3)c2C1 ZINC000612367154 506546123 /nfs/dbraw/zinc/54/61/23/506546123.db2.gz BLBVAYOSCYIWKA-QFIPXVFZSA-N 1 2 362.477 3.379 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645033 506548216 /nfs/dbraw/zinc/54/82/16/506548216.db2.gz BSDLFSUOHWJWHM-GFCCVEGCSA-N 1 2 355.825 3.303 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645033 506548222 /nfs/dbraw/zinc/54/82/22/506548222.db2.gz BSDLFSUOHWJWHM-GFCCVEGCSA-N 1 2 355.825 3.303 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1C#N ZINC000599659682 506559849 /nfs/dbraw/zinc/55/98/49/506559849.db2.gz LEVANEPBCZATTL-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596737035 506569745 /nfs/dbraw/zinc/56/97/45/506569745.db2.gz YMACAOYIIUZSEX-CVEARBPZSA-N 1 2 374.510 3.019 20 30 FGEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccc(Cl)cc3)CC1)CCC2 ZINC000603839090 506629900 /nfs/dbraw/zinc/62/99/00/506629900.db2.gz PLGZFPDPFZQEHL-UHFFFAOYSA-N 1 2 352.869 3.418 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909425 506655343 /nfs/dbraw/zinc/65/53/43/506655343.db2.gz VRAHYEAGJXLUHI-BQIYRTECSA-N 1 2 355.482 3.200 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2ccccc2C1 ZINC000603909425 506655348 /nfs/dbraw/zinc/65/53/48/506655348.db2.gz VRAHYEAGJXLUHI-BQIYRTECSA-N 1 2 355.482 3.200 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000603911015 506656944 /nfs/dbraw/zinc/65/69/44/506656944.db2.gz OCFHJJBUPASQJI-MRXNPFEDSA-N 1 2 366.465 3.307 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000603911015 506656952 /nfs/dbraw/zinc/65/69/52/506656952.db2.gz OCFHJJBUPASQJI-MRXNPFEDSA-N 1 2 366.465 3.307 20 30 FGEDLO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ncc1Br ZINC000600162854 506814655 /nfs/dbraw/zinc/81/46/55/506814655.db2.gz WVAQZMXAQXEVJZ-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ncc1Br ZINC000600162854 506814657 /nfs/dbraw/zinc/81/46/57/506814657.db2.gz WVAQZMXAQXEVJZ-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000597183611 506820438 /nfs/dbraw/zinc/82/04/38/506820438.db2.gz NLUQJSMQAADBAM-UHFFFAOYSA-N 1 2 355.492 3.394 20 30 FGEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486344 506896448 /nfs/dbraw/zinc/89/64/48/506896448.db2.gz IOHJBUBHBKOPNE-GOSISDBHSA-N 1 2 360.458 3.048 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)nc1 ZINC000609520368 506906752 /nfs/dbraw/zinc/90/67/52/506906752.db2.gz KVEXGZZKBXTUBW-UHFFFAOYSA-N 1 2 373.416 3.419 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ncco2)c(C#N)c1C ZINC000594057253 506911029 /nfs/dbraw/zinc/91/10/29/506911029.db2.gz ZSIBKKLNWWJXBL-QGZVFWFLSA-N 1 2 364.405 3.268 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000609564627 506923894 /nfs/dbraw/zinc/92/38/94/506923894.db2.gz FOCPHANMTAREKF-FQEVSTJZSA-N 1 2 355.869 3.063 20 30 FGEDLO Cc1cn2cc(NC(=O)N(C)CCOCc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000583716496 506931675 /nfs/dbraw/zinc/93/16/75/506931675.db2.gz FNJSBFFTPDIBGU-UHFFFAOYSA-N 1 2 363.421 3.195 20 30 FGEDLO COc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000609676937 506972418 /nfs/dbraw/zinc/97/24/18/506972418.db2.gz HMEAZNRPMZSLNE-YADHBBJMSA-N 1 2 371.440 3.472 20 30 FGEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000609706104 506978553 /nfs/dbraw/zinc/97/85/53/506978553.db2.gz XNZFAIIRPXTHDX-FQEVSTJZSA-N 1 2 365.502 3.273 20 30 FGEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000609706104 506978559 /nfs/dbraw/zinc/97/85/59/506978559.db2.gz XNZFAIIRPXTHDX-FQEVSTJZSA-N 1 2 365.502 3.273 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000590828006 506984582 /nfs/dbraw/zinc/98/45/82/506984582.db2.gz JRQGAEVNJFXUFL-SFHVURJKSA-N 1 2 357.845 3.361 20 30 FGEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000613266777 506999810 /nfs/dbraw/zinc/99/98/10/506999810.db2.gz IBYOVYZPCKETRG-SFHVURJKSA-N 1 2 351.429 3.188 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)NC3(c4ccc(C#N)cc4)CCC3)cn21 ZINC000594249850 507043247 /nfs/dbraw/zinc/04/32/47/507043247.db2.gz QDRUDNFXUPAQJE-UHFFFAOYSA-N 1 2 373.460 3.436 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000610485005 507258721 /nfs/dbraw/zinc/25/87/21/507258721.db2.gz JGKKPVSSLYLBRW-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1F ZINC000610485005 507258728 /nfs/dbraw/zinc/25/87/28/507258728.db2.gz JGKKPVSSLYLBRW-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000594779278 507279525 /nfs/dbraw/zinc/27/95/25/507279525.db2.gz MLOHUCOAXHBPKW-HZMBPMFUSA-N 1 2 372.475 3.262 20 30 FGEDLO C=CCC1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCOCC1 ZINC000598179390 507298549 /nfs/dbraw/zinc/29/85/49/507298549.db2.gz XHMQJYQXQAHMFD-UHFFFAOYSA-N 1 2 359.495 3.117 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC000610585037 507307757 /nfs/dbraw/zinc/30/77/57/507307757.db2.gz ZKRLLTWSXKDKAP-UHFFFAOYSA-N 1 2 366.324 3.026 20 30 FGEDLO N#CC1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCCCC1 ZINC000598307116 507368998 /nfs/dbraw/zinc/36/89/98/507368998.db2.gz GMWITHCDQXIOQS-GOSISDBHSA-N 1 2 357.523 3.367 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000610846652 507411424 /nfs/dbraw/zinc/41/14/24/507411424.db2.gz FTWIACGQAAZJHF-INIZCTEOSA-N 1 2 366.440 3.286 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCSCC1 ZINC000611012379 507482313 /nfs/dbraw/zinc/48/23/13/507482313.db2.gz QDAMMHNOYMZACK-CQSZACIVSA-N 1 2 368.462 3.121 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000614402871 507497618 /nfs/dbraw/zinc/49/76/18/507497618.db2.gz NNDQAWFFSNMZTB-UHFFFAOYSA-N 1 2 362.477 3.236 20 30 FGEDLO N#CC1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000595470616 507515713 /nfs/dbraw/zinc/51/57/13/507515713.db2.gz PTXXOYQGCAUUAV-UHFFFAOYSA-N 1 2 355.417 3.285 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000602007253 507550265 /nfs/dbraw/zinc/55/02/65/507550265.db2.gz OTZYRBUGZACNLV-LJQANCHMSA-N 1 2 353.397 3.105 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180710 507550946 /nfs/dbraw/zinc/55/09/46/507550946.db2.gz QORCQCYYUNIJGX-AWEZNQCLSA-N 1 2 363.408 3.061 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)NCC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000595550287 507556506 /nfs/dbraw/zinc/55/65/06/507556506.db2.gz PBJQJWLHBIFKFN-INIZCTEOSA-N 1 2 364.440 3.341 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595577517 507570825 /nfs/dbraw/zinc/57/08/25/507570825.db2.gz PLTIEGPKQNPJSH-BVGQSLNGSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595577517 507570831 /nfs/dbraw/zinc/57/08/31/507570831.db2.gz PLTIEGPKQNPJSH-BVGQSLNGSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595577520 507572180 /nfs/dbraw/zinc/57/21/80/507572180.db2.gz PLTIEGPKQNPJSH-KKXDTOCCSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595577520 507572183 /nfs/dbraw/zinc/57/21/83/507572183.db2.gz PLTIEGPKQNPJSH-KKXDTOCCSA-N 1 2 362.424 3.045 20 30 FGEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 ZINC000611260282 507587986 /nfs/dbraw/zinc/58/79/86/507587986.db2.gz PVGMJULTBTTZSI-UHFFFAOYSA-N 1 2 371.510 3.500 20 30 FGEDLO C[C@]1(C2CC2)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000595616851 507593338 /nfs/dbraw/zinc/59/33/38/507593338.db2.gz DVVFMMHOOVSRBB-LJQANCHMSA-N 1 2 361.873 3.088 20 30 FGEDLO C[C@]1(C2CC2)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000595616851 507593340 /nfs/dbraw/zinc/59/33/40/507593340.db2.gz DVVFMMHOOVSRBB-LJQANCHMSA-N 1 2 361.873 3.088 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000595620825 507597632 /nfs/dbraw/zinc/59/76/32/507597632.db2.gz RFORPYFDBVSUHG-NSHDSACASA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000595620825 507597638 /nfs/dbraw/zinc/59/76/38/507597638.db2.gz RFORPYFDBVSUHG-NSHDSACASA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000595620825 507597644 /nfs/dbraw/zinc/59/76/44/507597644.db2.gz RFORPYFDBVSUHG-NSHDSACASA-N 1 2 365.359 3.146 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000595620825 507597648 /nfs/dbraw/zinc/59/76/48/507597648.db2.gz RFORPYFDBVSUHG-NSHDSACASA-N 1 2 365.359 3.146 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000602129591 507603306 /nfs/dbraw/zinc/60/33/06/507603306.db2.gz QZMKQTMKTZQRAO-RTWAWAEBSA-N 1 2 363.461 3.431 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000602129591 507603308 /nfs/dbraw/zinc/60/33/08/507603308.db2.gz QZMKQTMKTZQRAO-RTWAWAEBSA-N 1 2 363.461 3.431 20 30 FGEDLO N#Cc1ccc(C2(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CCC2)cc1 ZINC000602175752 507614579 /nfs/dbraw/zinc/61/45/79/507614579.db2.gz VZUPHIAIIQPOKM-HNNXBMFYSA-N 1 2 362.355 3.444 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@H]2C)c1C ZINC000595673647 507622194 /nfs/dbraw/zinc/62/21/94/507622194.db2.gz FCHCIVUACXMONF-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@H]2C)c1C ZINC000595673647 507622201 /nfs/dbraw/zinc/62/22/01/507622201.db2.gz FCHCIVUACXMONF-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO C=CC[N@@H+](CCn1ccccc1=O)Cc1cc(Br)ccc1F ZINC000586830118 507686221 /nfs/dbraw/zinc/68/62/21/507686221.db2.gz AJBOJWZUFVOTAI-UHFFFAOYSA-N 1 2 365.246 3.438 20 30 FGEDLO C=CC[N@H+](CCn1ccccc1=O)Cc1cc(Br)ccc1F ZINC000586830118 507686223 /nfs/dbraw/zinc/68/62/23/507686223.db2.gz AJBOJWZUFVOTAI-UHFFFAOYSA-N 1 2 365.246 3.438 20 30 FGEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000614922458 507695021 /nfs/dbraw/zinc/69/50/21/507695021.db2.gz TWGGNNCTDNBAIP-MRXNPFEDSA-N 1 2 366.343 3.152 20 30 FGEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000614922458 507695025 /nfs/dbraw/zinc/69/50/25/507695025.db2.gz TWGGNNCTDNBAIP-MRXNPFEDSA-N 1 2 366.343 3.152 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595829248 507703533 /nfs/dbraw/zinc/70/35/33/507703533.db2.gz SCWRGMAZILAIBX-UHFFFAOYSA-N 1 2 356.451 3.108 20 30 FGEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)c3nc4ccccc4s3)CC2)n1 ZINC000587024744 507703990 /nfs/dbraw/zinc/70/39/90/507703990.db2.gz UGVCWFIGYNCFLZ-CQSZACIVSA-N 1 2 364.478 3.150 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000602456177 507716829 /nfs/dbraw/zinc/71/68/29/507716829.db2.gz VQBNBCIRDAPOFE-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000602456177 507716832 /nfs/dbraw/zinc/71/68/32/507716832.db2.gz VQBNBCIRDAPOFE-UHFFFAOYSA-N 1 2 369.856 3.346 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)cc2F)cc1O ZINC000611519579 507719559 /nfs/dbraw/zinc/71/95/59/507719559.db2.gz PDKBQGNZWXWTJV-UHFFFAOYSA-N 1 2 365.202 3.464 20 30 FGEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881615 568633685 /nfs/dbraw/zinc/63/36/85/568633685.db2.gz OGQWNXCYILGKON-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000617881615 568633687 /nfs/dbraw/zinc/63/36/87/568633687.db2.gz OGQWNXCYILGKON-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO Cc1cccc2[nH+]cc(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)n21 ZINC000822340827 606392994 /nfs/dbraw/zinc/39/29/94/606392994.db2.gz JNZXIVHVAPMHGI-UVTDQMKNSA-N 1 2 356.389 3.035 20 30 FGEDLO COc1cc(C(N)=[NH+]OCCOc2ccccc2)ccc1OC(F)F ZINC000069573429 695950852 /nfs/dbraw/zinc/95/08/52/695950852.db2.gz YKZBXXLMAILYAL-UHFFFAOYSA-N 1 2 352.337 3.013 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000106067267 700506429 /nfs/dbraw/zinc/50/64/29/700506429.db2.gz BQMHBQFKTJBJEW-SNVBAGLBSA-N 1 2 367.783 3.477 20 30 FGEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(-c2cccs2)no1 ZINC000158201698 705177086 /nfs/dbraw/zinc/17/70/86/705177086.db2.gz GYYSRPKEGZUASG-JTQLQIEISA-N 1 2 356.407 3.131 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000159004048 705207020 /nfs/dbraw/zinc/20/70/20/705207020.db2.gz LQXYDRIJKPSCCE-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186781066 712726273 /nfs/dbraw/zinc/72/62/73/712726273.db2.gz KXVUKSZPWSJAAZ-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@@H](C)O1 ZINC000329403980 713829313 /nfs/dbraw/zinc/82/93/13/713829313.db2.gz ZWPOPMYPKAAMAW-IIAWOOMASA-N 1 2 366.531 3.420 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@@H](C)O1 ZINC000329403980 713829317 /nfs/dbraw/zinc/82/93/17/713829317.db2.gz ZWPOPMYPKAAMAW-IIAWOOMASA-N 1 2 366.531 3.420 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000373815139 713873726 /nfs/dbraw/zinc/87/37/26/713873726.db2.gz OJNWGGXAYHFEHE-NVXWUHKLSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000373815139 713873730 /nfs/dbraw/zinc/87/37/30/713873730.db2.gz OJNWGGXAYHFEHE-NVXWUHKLSA-N 1 2 365.271 3.091 20 30 FGEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1c(F)c(F)cc(F)c1F ZINC000635659949 717184699 /nfs/dbraw/zinc/18/46/99/717184699.db2.gz KINRHHCNKWUPAR-JTQLQIEISA-N 1 2 369.240 3.249 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636018005 717222999 /nfs/dbraw/zinc/22/29/99/717222999.db2.gz SFUVYBYUJNBZJV-VXGBXAGGSA-N 1 2 362.227 3.479 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636018005 717223002 /nfs/dbraw/zinc/22/30/02/717223002.db2.gz SFUVYBYUJNBZJV-VXGBXAGGSA-N 1 2 362.227 3.479 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000804330656 724505127 /nfs/dbraw/zinc/50/51/27/724505127.db2.gz BFCAIQOKOUHDHV-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(SC(F)(F)F)c1 ZINC000781330535 724552633 /nfs/dbraw/zinc/55/26/33/724552633.db2.gz IELVMSFWWKEOMC-UHFFFAOYSA-N 1 2 373.444 3.346 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000657326751 719625555 /nfs/dbraw/zinc/62/55/55/719625555.db2.gz WZDXISPZJUNCNR-HNNXBMFYSA-N 1 2 363.259 3.230 20 30 FGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H](C)COC ZINC000661246977 720215523 /nfs/dbraw/zinc/21/55/23/720215523.db2.gz MTKGAIFLDVDVPU-SNVBAGLBSA-N 1 2 356.220 3.115 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H](C)COC ZINC000661246977 720215530 /nfs/dbraw/zinc/21/55/30/720215530.db2.gz MTKGAIFLDVDVPU-SNVBAGLBSA-N 1 2 356.220 3.115 20 30 FGEDLO C#CCOc1ccccc1C[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000783574837 724767259 /nfs/dbraw/zinc/76/72/59/724767259.db2.gz OTQIPQYRPZVILI-UHFFFAOYSA-N 1 2 357.763 3.394 20 30 FGEDLO COCC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000677133450 721861481 /nfs/dbraw/zinc/86/14/81/721861481.db2.gz WIJOWTLGWHIPDM-FQEVSTJZSA-N 1 2 357.475 3.363 20 30 FGEDLO COCC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000677133450 721861482 /nfs/dbraw/zinc/86/14/82/721861482.db2.gz WIJOWTLGWHIPDM-FQEVSTJZSA-N 1 2 357.475 3.363 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C#N)cc2Cl)cc1OC ZINC000783983957 724810413 /nfs/dbraw/zinc/81/04/13/724810413.db2.gz ADNPIYQLTRHOMK-UHFFFAOYSA-N 1 2 359.813 3.470 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000679266727 722017972 /nfs/dbraw/zinc/01/79/72/722017972.db2.gz RVYNBISXPWTFIQ-LBPRGKRZSA-N 1 2 372.296 3.335 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000679266727 722017973 /nfs/dbraw/zinc/01/79/73/722017973.db2.gz RVYNBISXPWTFIQ-LBPRGKRZSA-N 1 2 372.296 3.335 20 30 FGEDLO N#Cc1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000726439029 722434189 /nfs/dbraw/zinc/43/41/89/722434189.db2.gz XQFVAINXVDEKPU-UHFFFAOYSA-N 1 2 357.870 3.126 20 30 FGEDLO Brc1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755630380 722955207 /nfs/dbraw/zinc/95/52/07/722955207.db2.gz BQWOTTCWSXKHBR-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000757564505 722977017 /nfs/dbraw/zinc/97/70/17/722977017.db2.gz VJPAEJNGVWTGSD-CYBMUJFWSA-N 1 2 353.451 3.325 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000757564505 722977018 /nfs/dbraw/zinc/97/70/18/722977018.db2.gz VJPAEJNGVWTGSD-CYBMUJFWSA-N 1 2 353.451 3.325 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000757564506 722977034 /nfs/dbraw/zinc/97/70/34/722977034.db2.gz VJPAEJNGVWTGSD-ZDUSSCGKSA-N 1 2 353.451 3.325 20 30 FGEDLO C[C@H]1CC(=NN2C(=S)N=NC2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000757564506 722977035 /nfs/dbraw/zinc/97/70/35/722977035.db2.gz VJPAEJNGVWTGSD-ZDUSSCGKSA-N 1 2 353.451 3.325 20 30 FGEDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)NCc1ccc(F)cc1C(F)(F)F ZINC000761057342 723117905 /nfs/dbraw/zinc/11/79/05/723117905.db2.gz QAVKRPAKCPJSLS-JTQLQIEISA-N 1 2 372.284 3.345 20 30 FGEDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C1)NCc1ccc(F)cc1C(F)(F)F ZINC000761057342 723117908 /nfs/dbraw/zinc/11/79/08/723117908.db2.gz QAVKRPAKCPJSLS-JTQLQIEISA-N 1 2 372.284 3.345 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791563148 723258985 /nfs/dbraw/zinc/25/89/85/723258985.db2.gz IQWSEZKGTSRMAN-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791563148 723258987 /nfs/dbraw/zinc/25/89/87/723258987.db2.gz IQWSEZKGTSRMAN-QGZVFWFLSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1c2c(cn(C[N@@H+](Cc3ccc(Cl)cc3)C3CC3)c1=O)CCC2 ZINC000766613547 723583552 /nfs/dbraw/zinc/58/35/52/723583552.db2.gz XHVCXMUNFQVHAS-UHFFFAOYSA-N 1 2 353.853 3.484 20 30 FGEDLO N#Cc1c2c(cn(C[N@H+](Cc3ccc(Cl)cc3)C3CC3)c1=O)CCC2 ZINC000766613547 723583554 /nfs/dbraw/zinc/58/35/54/723583554.db2.gz XHVCXMUNFQVHAS-UHFFFAOYSA-N 1 2 353.853 3.484 20 30 FGEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796560153 723643777 /nfs/dbraw/zinc/64/37/77/723643777.db2.gz OURDOVGZDNUTQD-SFHVURJKSA-N 1 2 350.846 3.012 20 30 FGEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796560153 723643779 /nfs/dbraw/zinc/64/37/79/723643779.db2.gz OURDOVGZDNUTQD-SFHVURJKSA-N 1 2 350.846 3.012 20 30 FGEDLO CS(=O)(=O)c1cccc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000773208883 723779080 /nfs/dbraw/zinc/77/90/80/723779080.db2.gz SCKPAHICPRRVEB-UHFFFAOYSA-N 1 2 359.838 3.160 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786826423 725002067 /nfs/dbraw/zinc/00/20/67/725002067.db2.gz GTGMUCOVSPIVMN-UHFFFAOYSA-N 1 2 369.895 3.107 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000806836537 725145771 /nfs/dbraw/zinc/14/57/71/725145771.db2.gz RPAYQWGIYOVBNR-SFHVURJKSA-N 1 2 360.860 3.223 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000806836537 725145772 /nfs/dbraw/zinc/14/57/72/725145772.db2.gz RPAYQWGIYOVBNR-SFHVURJKSA-N 1 2 360.860 3.223 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)C(F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115087 725345878 /nfs/dbraw/zinc/34/58/78/725345878.db2.gz QIFBZNWGUIBLKI-MNOVXSKESA-N 1 2 360.273 3.325 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)[C@H](F)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000811115087 725345881 /nfs/dbraw/zinc/34/58/81/725345881.db2.gz QIFBZNWGUIBLKI-MNOVXSKESA-N 1 2 360.273 3.325 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000811958483 725385917 /nfs/dbraw/zinc/38/59/17/725385917.db2.gz CBPBWJZGEPQLBY-WBVHZDCISA-N 1 2 356.857 3.337 20 30 FGEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)cc2Cl)cn1 ZINC000814884834 727008484 /nfs/dbraw/zinc/00/84/84/727008484.db2.gz AFUWVTRHKVPGOF-UHFFFAOYSA-N 1 2 354.639 3.405 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816913502 727205185 /nfs/dbraw/zinc/20/51/85/727205185.db2.gz LBECDFZZXUJVIF-UHFFFAOYSA-N 1 2 352.207 3.069 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2[nH]c[nH+]c2C)s1 ZINC000819346376 727369490 /nfs/dbraw/zinc/36/94/90/727369490.db2.gz YJVZIPYUZVXFDH-UHFFFAOYSA-N 1 2 356.904 3.187 20 30 FGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cnc(CCc2ccccc2)s1 ZINC000834967242 729848564 /nfs/dbraw/zinc/84/85/64/729848564.db2.gz ZJKHCMYJCFKTPS-IAGOWNOFSA-N 1 2 353.495 3.122 20 30 FGEDLO C#Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000836656756 729964025 /nfs/dbraw/zinc/96/40/25/729964025.db2.gz QJVIHJOIVWIMCW-INIZCTEOSA-N 1 2 353.491 3.318 20 30 FGEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)C(=O)OCC ZINC000877671297 736702569 /nfs/dbraw/zinc/70/25/69/736702569.db2.gz HNJXCBXSXIMOOY-JXQTWKCFSA-N 1 2 355.866 3.322 20 30 FGEDLO CC([NH2+]Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)=C1CC1(F)F ZINC000841627936 730260606 /nfs/dbraw/zinc/26/06/06/730260606.db2.gz GWXOZYMNCIVTJZ-LBPRGKRZSA-N 1 2 372.422 3.387 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)C1 ZINC000842628172 730521572 /nfs/dbraw/zinc/52/15/72/730521572.db2.gz RWXNPEXNKUKICO-OAHLLOKOSA-N 1 2 356.495 3.319 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)C1 ZINC000842628172 730521575 /nfs/dbraw/zinc/52/15/75/730521575.db2.gz RWXNPEXNKUKICO-OAHLLOKOSA-N 1 2 356.495 3.319 20 30 FGEDLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425006 730619244 /nfs/dbraw/zinc/61/92/44/730619244.db2.gz CZMIUZAZFLFVBZ-IBGZPJMESA-N 1 2 358.873 3.052 20 30 FGEDLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843425006 730619247 /nfs/dbraw/zinc/61/92/47/730619247.db2.gz CZMIUZAZFLFVBZ-IBGZPJMESA-N 1 2 358.873 3.052 20 30 FGEDLO C=C[C@H](C)ONC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844286141 730698475 /nfs/dbraw/zinc/69/84/75/730698475.db2.gz RSMMRJBQMUIUBB-WFASDCNBSA-N 1 2 355.841 3.421 20 30 FGEDLO C=C[C@@H](C)ONC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000844286139 730698503 /nfs/dbraw/zinc/69/85/03/730698503.db2.gz RSMMRJBQMUIUBB-IUODEOHRSA-N 1 2 355.841 3.421 20 30 FGEDLO N#Cc1cc(Br)cc(COC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845548156 730864085 /nfs/dbraw/zinc/86/40/85/730864085.db2.gz YVDXDWRWUWPDNF-UHFFFAOYSA-N 1 2 374.238 3.139 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846883160 730991109 /nfs/dbraw/zinc/99/11/09/730991109.db2.gz BPRUXTDRUZKXML-HNNXBMFYSA-N 1 2 368.706 3.450 20 30 FGEDLO Brc1cc2c(s1)CCCC2=NNCCCn1cc[nH+]c1 ZINC000848416183 731161884 /nfs/dbraw/zinc/16/18/84/731161884.db2.gz BUSUEVMJIXNXSW-UHFFFAOYSA-N 1 2 353.289 3.427 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)CCSc2ccc(F)cc2F)n1 ZINC000851996679 731530151 /nfs/dbraw/zinc/53/01/51/731530151.db2.gz YVNWVUMDYFWIKD-UHFFFAOYSA-N 1 2 365.449 3.035 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSc2ccc(F)cc2F)n1 ZINC000851996679 731530155 /nfs/dbraw/zinc/53/01/55/731530155.db2.gz YVNWVUMDYFWIKD-UHFFFAOYSA-N 1 2 365.449 3.035 20 30 FGEDLO CC[C@H](NC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000852297964 731566151 /nfs/dbraw/zinc/56/61/51/731566151.db2.gz QPRHSDUBQWPGLC-INIZCTEOSA-N 1 2 363.820 3.384 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@H](COC)c2cccc(Br)c2)nn1 ZINC000865822445 733276276 /nfs/dbraw/zinc/27/62/76/733276276.db2.gz HHBWIXUNYXIYOI-MRXNPFEDSA-N 1 2 365.275 3.094 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC000876638497 736124939 /nfs/dbraw/zinc/12/49/39/736124939.db2.gz BYXIJCSKXAHMQK-UHFFFAOYSA-N 1 2 360.889 3.268 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700781 737034564 /nfs/dbraw/zinc/03/45/64/737034564.db2.gz MXRCIPMABDEXQH-DZGCQCFKSA-N 1 2 362.499 3.236 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700781 737034568 /nfs/dbraw/zinc/03/45/68/737034568.db2.gz MXRCIPMABDEXQH-DZGCQCFKSA-N 1 2 362.499 3.236 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3cc(C#N)cs3)cn2c1 ZINC000887973923 739453074 /nfs/dbraw/zinc/45/30/74/739453074.db2.gz WFDZKLFGKDWEOA-UHFFFAOYSA-N 1 2 370.503 3.468 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888419271 739520500 /nfs/dbraw/zinc/52/05/00/739520500.db2.gz NJHYEQBNHNIHRF-UHFFFAOYSA-N 1 2 366.878 3.371 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)C3(C#N)CCSCC3)n2)CC1 ZINC000891967530 739955463 /nfs/dbraw/zinc/95/54/63/739955463.db2.gz NQGPUTJZUNRNNN-UHFFFAOYSA-N 1 2 364.540 3.350 20 30 FGEDLO COC(=O)C1(C#N)CCN(c2c(Cl)c[nH+]c3ccc(OC)cc32)CC1 ZINC000894067221 742233979 /nfs/dbraw/zinc/23/39/79/742233979.db2.gz IEFOWQHCZAVCFO-UHFFFAOYSA-N 1 2 359.813 3.180 20 30 FGEDLO C[C@](O)(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)C(F)(F)C(F)(F)F ZINC000899883320 743024382 /nfs/dbraw/zinc/02/43/82/743024382.db2.gz KASYPFGZIGENJD-VIFPVBQESA-N 1 2 363.208 3.399 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)CC1(C)C ZINC000941039791 762170511 /nfs/dbraw/zinc/17/05/11/762170511.db2.gz UBJQJRSLQWWEQY-FVRSTRTBSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)CC1(C)C ZINC000941039791 762170517 /nfs/dbraw/zinc/17/05/17/762170517.db2.gz UBJQJRSLQWWEQY-FVRSTRTBSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000950593871 762442475 /nfs/dbraw/zinc/44/24/75/762442475.db2.gz NQFYAJHWDAFITM-NEWSRXKRSA-N 1 2 360.885 3.063 20 30 FGEDLO C#CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000915908823 758001134 /nfs/dbraw/zinc/00/11/34/758001134.db2.gz PFBMDHWDVNGLRS-UHFFFAOYSA-N 1 2 357.454 3.015 20 30 FGEDLO C=CCNC(=S)N[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000915923701 758003861 /nfs/dbraw/zinc/00/38/61/758003861.db2.gz MWNZCYVFZKLCFV-UHFFFAOYSA-N 1 2 353.495 3.209 20 30 FGEDLO C[C@H](NCc1csc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689424 758770846 /nfs/dbraw/zinc/77/08/46/758770846.db2.gz IQJRMXNRTHSFNN-AWEZNQCLSA-N 1 2 358.486 3.361 20 30 FGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932810704 761249656 /nfs/dbraw/zinc/24/96/56/761249656.db2.gz DCOFYBHAVOKJBL-PBHICJAKSA-N 1 2 362.271 3.176 20 30 FGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932810704 761249661 /nfs/dbraw/zinc/24/96/61/761249661.db2.gz DCOFYBHAVOKJBL-PBHICJAKSA-N 1 2 362.271 3.176 20 30 FGEDLO Cn1cncc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940882 761280095 /nfs/dbraw/zinc/28/00/95/761280095.db2.gz IXAHBKUVYKOCBE-RKDXNWHRSA-N 1 2 363.252 3.023 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000981926248 763536148 /nfs/dbraw/zinc/53/61/48/763536148.db2.gz YXPAXOBYEQMGNA-ZIAGYGMSSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000981926248 763536157 /nfs/dbraw/zinc/53/61/57/763536157.db2.gz YXPAXOBYEQMGNA-ZIAGYGMSSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC001003153590 765363558 /nfs/dbraw/zinc/36/35/58/765363558.db2.gz ALQOSHZADLHTJU-LSDHHAIUSA-N 1 2 369.328 3.341 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001014468749 765783542 /nfs/dbraw/zinc/78/35/42/765783542.db2.gz KATUFYNGQYNJAG-CFVMTHIKSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001014468749 765783548 /nfs/dbraw/zinc/78/35/48/765783548.db2.gz KATUFYNGQYNJAG-CFVMTHIKSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC001029480778 766148051 /nfs/dbraw/zinc/14/80/51/766148051.db2.gz KMZYHVHMJZZYBL-CTASWTNQSA-N 1 2 366.914 3.168 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC001029480778 766148054 /nfs/dbraw/zinc/14/80/54/766148054.db2.gz KMZYHVHMJZZYBL-CTASWTNQSA-N 1 2 366.914 3.168 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C/C=C/Cl)C2 ZINC001054265745 767003649 /nfs/dbraw/zinc/00/36/49/767003649.db2.gz WCJKHFHQQLGEOZ-PWEOZXLSSA-N 1 2 360.885 3.352 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C/C=C/Cl)C2 ZINC001054265745 767003663 /nfs/dbraw/zinc/00/36/63/767003663.db2.gz WCJKHFHQQLGEOZ-PWEOZXLSSA-N 1 2 360.885 3.352 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537373 505571151 /nfs/dbraw/zinc/57/11/51/505571151.db2.gz GYHNOAODGZDBHG-IGCXYCKISA-N 1 2 354.372 3.345 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537373 505571152 /nfs/dbraw/zinc/57/11/52/505571152.db2.gz GYHNOAODGZDBHG-IGCXYCKISA-N 1 2 354.372 3.345 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000568328026 505667621 /nfs/dbraw/zinc/66/76/21/505667621.db2.gz CHXJYULMAPECQX-MNOVXSKESA-N 1 2 373.482 3.258 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCOCC2)cc1 ZINC000048051706 493776712 /nfs/dbraw/zinc/77/67/12/493776712.db2.gz ONENDTSXGNZNSJ-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO N#CCCCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000057644204 493782159 /nfs/dbraw/zinc/78/21/59/493782159.db2.gz ASKJSJGAANHBJU-UHFFFAOYSA-N 1 2 359.499 3.042 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000057873495 493810861 /nfs/dbraw/zinc/81/08/61/493810861.db2.gz HULWVSUNRYXSET-OAQYLSRUSA-N 1 2 365.502 3.458 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000057873498 493810945 /nfs/dbraw/zinc/81/09/45/493810945.db2.gz HULWVSUNRYXSET-NRFANRHFSA-N 1 2 365.502 3.458 20 30 FGEDLO N#CCC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC1CC1 ZINC000081044002 493819790 /nfs/dbraw/zinc/81/97/90/493819790.db2.gz ZAQFUCXCWYAKKH-UHFFFAOYSA-N 1 2 357.473 3.379 20 30 FGEDLO N#CCC[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC1CC1 ZINC000081044002 493819793 /nfs/dbraw/zinc/81/97/93/493819793.db2.gz ZAQFUCXCWYAKKH-UHFFFAOYSA-N 1 2 357.473 3.379 20 30 FGEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000081040969 493819945 /nfs/dbraw/zinc/81/99/45/493819945.db2.gz RMCYXDDYYUQGNL-LBPRGKRZSA-N 1 2 361.667 3.078 20 30 FGEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000081040969 493819948 /nfs/dbraw/zinc/81/99/48/493819948.db2.gz RMCYXDDYYUQGNL-LBPRGKRZSA-N 1 2 361.667 3.078 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000003585542 493854248 /nfs/dbraw/zinc/85/42/48/493854248.db2.gz SZLWUMSZCLHFQX-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000003585542 493854250 /nfs/dbraw/zinc/85/42/50/493854250.db2.gz SZLWUMSZCLHFQX-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000059931858 493910708 /nfs/dbraw/zinc/91/07/08/493910708.db2.gz NWGLVEMZBWMZGT-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000081552648 493914867 /nfs/dbraw/zinc/91/48/67/493914867.db2.gz HIURXDSNCDHGGD-VQTJNVASSA-N 1 2 360.461 3.363 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000076722202 493957637 /nfs/dbraw/zinc/95/76/37/493957637.db2.gz YPZIHGAMGTYXEM-HNNXBMFYSA-N 1 2 371.510 3.220 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000076722202 493957641 /nfs/dbraw/zinc/95/76/41/493957641.db2.gz YPZIHGAMGTYXEM-HNNXBMFYSA-N 1 2 371.510 3.220 20 30 FGEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccco1 ZINC000051739179 493985682 /nfs/dbraw/zinc/98/56/82/493985682.db2.gz ITBJVJGRNCIBLQ-UHFFFAOYSA-N 1 2 369.465 3.292 20 30 FGEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccco1 ZINC000051739179 493985686 /nfs/dbraw/zinc/98/56/86/493985686.db2.gz ITBJVJGRNCIBLQ-UHFFFAOYSA-N 1 2 369.465 3.292 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000052218873 494013199 /nfs/dbraw/zinc/01/31/99/494013199.db2.gz OYFIOQXWTWWHQT-ZIAGYGMSSA-N 1 2 367.409 3.087 20 30 FGEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754496 494083689 /nfs/dbraw/zinc/08/36/89/494083689.db2.gz QAUIKMYCFFPMQT-MRXNPFEDSA-N 1 2 369.440 3.023 20 30 FGEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063754496 494083694 /nfs/dbraw/zinc/08/36/94/494083694.db2.gz QAUIKMYCFFPMQT-MRXNPFEDSA-N 1 2 369.440 3.023 20 30 FGEDLO N#Cc1ccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000574127109 505699131 /nfs/dbraw/zinc/69/91/31/505699131.db2.gz LHNFKQHGYFIWAA-QGZVFWFLSA-N 1 2 367.415 3.264 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000053703848 494159735 /nfs/dbraw/zinc/15/97/35/494159735.db2.gz UKNDXXGDTQCOJR-OAQYLSRUSA-N 1 2 374.444 3.139 20 30 FGEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000041497547 494165171 /nfs/dbraw/zinc/16/51/71/494165171.db2.gz HNPIKSYAYDPLDJ-ZDUSSCGKSA-N 1 2 372.344 3.147 20 30 FGEDLO Cc1csc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000041521252 494166452 /nfs/dbraw/zinc/16/64/52/494166452.db2.gz KPXMYMVNXUHKDX-GFCCVEGCSA-N 1 2 353.363 3.036 20 30 FGEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)c(OC)c1 ZINC000011366984 494176321 /nfs/dbraw/zinc/17/63/21/494176321.db2.gz NNXQJCINZPGVAV-UHFFFAOYSA-N 1 2 359.451 3.098 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OC)c(OC)c1 ZINC000011366984 494176324 /nfs/dbraw/zinc/17/63/24/494176324.db2.gz NNXQJCINZPGVAV-UHFFFAOYSA-N 1 2 359.451 3.098 20 30 FGEDLO N#CCCOCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000568488099 505707754 /nfs/dbraw/zinc/70/77/54/505707754.db2.gz YHJZVNBQGDPXRK-UHFFFAOYSA-N 1 2 372.856 3.106 20 30 FGEDLO N#CCCOCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000568488099 505707756 /nfs/dbraw/zinc/70/77/56/505707756.db2.gz YHJZVNBQGDPXRK-UHFFFAOYSA-N 1 2 372.856 3.106 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000054272066 494214936 /nfs/dbraw/zinc/21/49/36/494214936.db2.gz JOTIQAGMAYGDRK-UHFFFAOYSA-N 1 2 354.406 3.051 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000054272066 494214941 /nfs/dbraw/zinc/21/49/41/494214941.db2.gz JOTIQAGMAYGDRK-UHFFFAOYSA-N 1 2 354.406 3.051 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1Br ZINC000042978924 494255011 /nfs/dbraw/zinc/25/50/11/494255011.db2.gz MKSWZZYEVWPAFL-SUMWQHHRSA-N 1 2 366.303 3.324 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Br ZINC000042978924 494255016 /nfs/dbraw/zinc/25/50/16/494255016.db2.gz MKSWZZYEVWPAFL-SUMWQHHRSA-N 1 2 366.303 3.324 20 30 FGEDLO CC(C)(C)NC(=O)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000042736270 494240629 /nfs/dbraw/zinc/24/06/29/494240629.db2.gz PZDJUDMFBDFPGY-UHFFFAOYSA-N 1 2 360.461 3.347 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000054538583 494244781 /nfs/dbraw/zinc/24/47/81/494244781.db2.gz ZEYZIVYLGTVYRL-UHFFFAOYSA-N 1 2 353.426 3.364 20 30 FGEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000078498906 494309000 /nfs/dbraw/zinc/30/90/00/494309000.db2.gz WIOJQRUJXYADFC-UHFFFAOYSA-N 1 2 358.486 3.312 20 30 FGEDLO C=CC[N@H+](CCCOc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559745 494354366 /nfs/dbraw/zinc/35/43/66/494354366.db2.gz CZMRKZZNRLCYBV-LJQANCHMSA-N 1 2 359.491 3.284 20 30 FGEDLO C=CC[N@@H+](CCCOc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559745 494354371 /nfs/dbraw/zinc/35/43/71/494354371.db2.gz CZMRKZZNRLCYBV-LJQANCHMSA-N 1 2 359.491 3.284 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(SCC#N)c1 ZINC000079506393 494469527 /nfs/dbraw/zinc/46/95/27/494469527.db2.gz FIZHYIHCBSVTRA-UHFFFAOYSA-N 1 2 350.447 3.390 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2cccc(Cl)c2)c(C#N)c1C ZINC000021319592 494492715 /nfs/dbraw/zinc/49/27/15/494492715.db2.gz JAULQGWDADKWTL-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2cccc(Cl)c2)c(C#N)c1C ZINC000021319592 494492721 /nfs/dbraw/zinc/49/27/21/494492721.db2.gz JAULQGWDADKWTL-UHFFFAOYSA-N 1 2 361.829 3.371 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)c1cccc(F)c1 ZINC000571399194 505724284 /nfs/dbraw/zinc/72/42/84/505724284.db2.gz IDHCJFPGWVCSEB-SFHVURJKSA-N 1 2 369.444 3.374 20 30 FGEDLO COc1ccc(OCCCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022778898 494534315 /nfs/dbraw/zinc/53/43/15/494534315.db2.gz DMZQMXFWTAENLN-UHFFFAOYSA-N 1 2 365.477 3.154 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361466 494604982 /nfs/dbraw/zinc/60/49/82/494604982.db2.gz GEYXGGLVKUMLML-SFHVURJKSA-N 1 2 351.512 3.287 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361466 494604990 /nfs/dbraw/zinc/60/49/90/494604990.db2.gz GEYXGGLVKUMLML-SFHVURJKSA-N 1 2 351.512 3.287 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000047053022 494628027 /nfs/dbraw/zinc/62/80/27/494628027.db2.gz JDUNYYHGVITSHD-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO CC(C)[N@@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574261524 505733343 /nfs/dbraw/zinc/73/33/43/505733343.db2.gz HPFSDVXDNXKCDZ-MJGOQNOKSA-N 1 2 373.863 3.454 20 30 FGEDLO CC(C)[N@H+]1CC[C@@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574261524 505733345 /nfs/dbraw/zinc/73/33/45/505733345.db2.gz HPFSDVXDNXKCDZ-MJGOQNOKSA-N 1 2 373.863 3.454 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000092539090 494663117 /nfs/dbraw/zinc/66/31/17/494663117.db2.gz OFUWREATPFVPCH-UHFFFAOYSA-N 1 2 371.897 3.239 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3ccco3)C1)CCC2 ZINC000121255730 494669995 /nfs/dbraw/zinc/66/99/95/494669995.db2.gz QIPJQPJIFPUYIX-MRXNPFEDSA-N 1 2 371.462 3.104 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3ccco3)C1)CCC2 ZINC000121255730 494670002 /nfs/dbraw/zinc/67/00/02/494670002.db2.gz QIPJQPJIFPUYIX-MRXNPFEDSA-N 1 2 371.462 3.104 20 30 FGEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000121420640 494747232 /nfs/dbraw/zinc/74/72/32/494747232.db2.gz JCAPQMPMYBFLMV-DOTOQJQBSA-N 1 2 353.422 3.010 20 30 FGEDLO N#CCCCOc1cccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000092789537 494749753 /nfs/dbraw/zinc/74/97/53/494749753.db2.gz MWLWRRMMIRNULM-UHFFFAOYSA-N 1 2 365.477 3.393 20 30 FGEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000092032179 494760541 /nfs/dbraw/zinc/76/05/41/494760541.db2.gz ZLKLGSPFYPCPHT-UHFFFAOYSA-N 1 2 363.377 3.404 20 30 FGEDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867209 494784931 /nfs/dbraw/zinc/78/49/31/494784931.db2.gz KEUXIFHZEUJQFH-OAHLLOKOSA-N 1 2 362.832 3.417 20 30 FGEDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867209 494784940 /nfs/dbraw/zinc/78/49/40/494784940.db2.gz KEUXIFHZEUJQFH-OAHLLOKOSA-N 1 2 362.832 3.417 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(F)c1 ZINC000126733760 494828239 /nfs/dbraw/zinc/82/82/39/494828239.db2.gz AHNBFMJDJOWOEX-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(F)c1 ZINC000126733760 494828244 /nfs/dbraw/zinc/82/82/44/494828244.db2.gz AHNBFMJDJOWOEX-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#CC1(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CCOCC1 ZINC000109140896 494837923 /nfs/dbraw/zinc/83/79/23/494837923.db2.gz YFYLXMCMNBEWAD-UHFFFAOYSA-N 1 2 350.422 3.145 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1)c1ccccc1 ZINC000126854989 494850822 /nfs/dbraw/zinc/85/08/22/494850822.db2.gz NWGGWKIRHXPHDD-UHFFFAOYSA-N 1 2 358.445 3.473 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2c3ccccc3[nH]c2C1)c1ccccc1 ZINC000126854989 494850825 /nfs/dbraw/zinc/85/08/25/494850825.db2.gz NWGGWKIRHXPHDD-UHFFFAOYSA-N 1 2 358.445 3.473 20 30 FGEDLO Cc1nc(C[NH+]2CCC(C/N=C/c3cc([N+](=O)[O-])ccc3O)CC2)oc1C ZINC000110129853 494952182 /nfs/dbraw/zinc/95/21/82/494952182.db2.gz UNNKTFRGQHEPJB-RGVLZGJSSA-N 1 2 372.425 3.236 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118390774 495000286 /nfs/dbraw/zinc/00/02/86/495000286.db2.gz ZLXNHQCGKQJJGV-QGZVFWFLSA-N 1 2 365.477 3.454 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574368177 505756476 /nfs/dbraw/zinc/75/64/76/505756476.db2.gz DGLQZUPOIYTVNM-UNMCSNQZSA-N 1 2 362.429 3.242 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574368177 505756479 /nfs/dbraw/zinc/75/64/79/505756479.db2.gz DGLQZUPOIYTVNM-UNMCSNQZSA-N 1 2 362.429 3.242 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000101543700 495074023 /nfs/dbraw/zinc/07/40/23/495074023.db2.gz GNJMKMVYFOQXRN-UHFFFAOYSA-N 1 2 371.444 3.463 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554504 495076577 /nfs/dbraw/zinc/07/65/77/495076577.db2.gz GSPAVHLEYULHAF-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000111912711 495129195 /nfs/dbraw/zinc/12/91/95/495129195.db2.gz JPHDWLJRLFDRJM-UHFFFAOYSA-N 1 2 351.406 3.237 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000102954735 495175848 /nfs/dbraw/zinc/17/58/48/495175848.db2.gz OWPMTDDZBFHQIT-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000112698253 495225507 /nfs/dbraw/zinc/22/55/07/495225507.db2.gz LYPRMBGNPOUWDE-UHFFFAOYSA-N 1 2 355.463 3.349 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1C ZINC000103472615 495237496 /nfs/dbraw/zinc/23/74/96/495237496.db2.gz GUSDWSMABHWCHP-QGZVFWFLSA-N 1 2 373.541 3.346 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000135170179 495258924 /nfs/dbraw/zinc/25/89/24/495258924.db2.gz YIACNUOEBFYNLM-UHFFFAOYSA-N 1 2 360.417 3.218 20 30 FGEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113001711 495266741 /nfs/dbraw/zinc/26/67/41/495266741.db2.gz UOBJDJFRFVWLEE-INIZCTEOSA-N 1 2 356.491 3.480 20 30 FGEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113001711 495266747 /nfs/dbraw/zinc/26/67/47/495266747.db2.gz UOBJDJFRFVWLEE-INIZCTEOSA-N 1 2 356.491 3.480 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1cccs1 ZINC000120416932 495373504 /nfs/dbraw/zinc/37/35/04/495373504.db2.gz QWPFQCFQTPYRRG-LJQANCHMSA-N 1 2 374.481 3.475 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1cccs1 ZINC000120416932 495373508 /nfs/dbraw/zinc/37/35/08/495373508.db2.gz QWPFQCFQTPYRRG-LJQANCHMSA-N 1 2 374.481 3.475 20 30 FGEDLO CC(C)c1nnc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)o1 ZINC000136642207 495391579 /nfs/dbraw/zinc/39/15/79/495391579.db2.gz QXGNIXJBCITQAW-UHFFFAOYSA-N 1 2 367.409 3.004 20 30 FGEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C ZINC000125232456 495411009 /nfs/dbraw/zinc/41/10/09/495411009.db2.gz HFJHHYAQTOUIOH-WMZOPIPTSA-N 1 2 367.449 3.318 20 30 FGEDLO CC(C)=C[C@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000139407941 495477170 /nfs/dbraw/zinc/47/71/70/495477170.db2.gz QMHPWKHMXRTMPX-PMACEKPBSA-N 1 2 351.494 3.441 20 30 FGEDLO N#CCSc1cccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000131008355 495479259 /nfs/dbraw/zinc/47/92/59/495479259.db2.gz YLUZHOHZEDYPHM-MRXNPFEDSA-N 1 2 352.463 3.096 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CSCc2ccc(C#N)cc2)CC1(C)C ZINC000568834446 505788197 /nfs/dbraw/zinc/78/81/97/505788197.db2.gz KCOGWKGOAACAMT-KRWDZBQOSA-N 1 2 354.479 3.135 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c1 ZINC000179423712 495585627 /nfs/dbraw/zinc/58/56/27/495585627.db2.gz KPOXPNBOHNJJMD-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO N#CCCCOc1cccc(CNc2cccc(CN3CCOCC3)[nH+]2)c1 ZINC000179455179 495597214 /nfs/dbraw/zinc/59/72/14/495597214.db2.gz LNEFPHLBHPURQA-UHFFFAOYSA-N 1 2 366.465 3.208 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4cccc(Cl)c4)C3)n2c1 ZINC000185643829 495658686 /nfs/dbraw/zinc/65/86/86/495658686.db2.gz XLEFKKWUSSPESU-GOSISDBHSA-N 1 2 352.825 3.433 20 30 FGEDLO N#C[C@@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CCCC2 ZINC000577817666 505796817 /nfs/dbraw/zinc/79/68/17/505796817.db2.gz SASKRZSBKODDJB-HRAATJIYSA-N 1 2 352.482 3.399 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000176587049 495710732 /nfs/dbraw/zinc/71/07/32/495710732.db2.gz NHMCEPAWFXXFCQ-HOTGVXAUSA-N 1 2 361.511 3.100 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H](CNC(=O)C2(C#N)CCCCC2)c2cccs2)CCO1 ZINC000176587049 495710735 /nfs/dbraw/zinc/71/07/35/495710735.db2.gz NHMCEPAWFXXFCQ-HOTGVXAUSA-N 1 2 361.511 3.100 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000185886010 495766142 /nfs/dbraw/zinc/76/61/42/495766142.db2.gz GFBXCIVZTZMWOU-OAHLLOKOSA-N 1 2 359.495 3.155 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000185886010 495766146 /nfs/dbraw/zinc/76/61/46/495766146.db2.gz GFBXCIVZTZMWOU-OAHLLOKOSA-N 1 2 359.495 3.155 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000180028255 495830195 /nfs/dbraw/zinc/83/01/95/495830195.db2.gz CWAHONMJIAZQIR-CVEARBPZSA-N 1 2 367.453 3.198 20 30 FGEDLO C#CCCCCNC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000155094154 495833559 /nfs/dbraw/zinc/83/35/59/495833559.db2.gz ILGMKIDWYXPTIW-UHFFFAOYSA-N 1 2 371.529 3.322 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)s2)cc1 ZINC000151542083 495872271 /nfs/dbraw/zinc/87/22/71/495872271.db2.gz QQWQAFBDQQMSNT-HNNXBMFYSA-N 1 2 363.446 3.003 20 30 FGEDLO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)c2nccn2C)cc1 ZINC000174259997 495885352 /nfs/dbraw/zinc/88/53/52/495885352.db2.gz TWXJESPRJHOLPP-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)c2nccn2C)cc1 ZINC000174259985 495885807 /nfs/dbraw/zinc/88/58/07/495885807.db2.gz TWXJESPRJHOLPP-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(C#N)c1C ZINC000177045297 495899115 /nfs/dbraw/zinc/89/91/15/495899115.db2.gz AIOQLOYNLUPLFA-MRXNPFEDSA-N 1 2 373.478 3.449 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(C#N)c1C ZINC000177045297 495899120 /nfs/dbraw/zinc/89/91/20/495899120.db2.gz AIOQLOYNLUPLFA-MRXNPFEDSA-N 1 2 373.478 3.449 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO)c1 ZINC000177159760 495953875 /nfs/dbraw/zinc/95/38/75/495953875.db2.gz RTVOVLJMEQSTMO-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC#Cc2ccc(Cl)cc2)CCO)c1 ZINC000177159760 495953879 /nfs/dbraw/zinc/95/38/79/495953879.db2.gz RTVOVLJMEQSTMO-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000155669355 496031091 /nfs/dbraw/zinc/03/10/91/496031091.db2.gz JYRDRQYIVJXFTI-ZDUSSCGKSA-N 1 2 361.371 3.078 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000155669355 496031096 /nfs/dbraw/zinc/03/10/96/496031096.db2.gz JYRDRQYIVJXFTI-ZDUSSCGKSA-N 1 2 361.371 3.078 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000177468580 496074073 /nfs/dbraw/zinc/07/40/73/496074073.db2.gz FCYMNMJXQRXVDK-GOSISDBHSA-N 1 2 372.419 3.084 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186713194 496118156 /nfs/dbraw/zinc/11/81/56/496118156.db2.gz GRXMWEVCYUWCQT-SPLOXXLWSA-N 1 2 365.433 3.227 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000186713194 496118161 /nfs/dbraw/zinc/11/81/61/496118161.db2.gz GRXMWEVCYUWCQT-SPLOXXLWSA-N 1 2 365.433 3.227 20 30 FGEDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000161190084 496123739 /nfs/dbraw/zinc/12/37/39/496123739.db2.gz XWYDCXJDWPUKFV-CYBMUJFWSA-N 1 2 354.479 3.353 20 30 FGEDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000161190084 496123742 /nfs/dbraw/zinc/12/37/42/496123742.db2.gz XWYDCXJDWPUKFV-CYBMUJFWSA-N 1 2 354.479 3.353 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000187028569 496259324 /nfs/dbraw/zinc/25/93/24/496259324.db2.gz AMAMYIPZRKGMCI-GOSISDBHSA-N 1 2 369.415 3.287 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156503801 496262998 /nfs/dbraw/zinc/26/29/98/496262998.db2.gz SSAYLKXRZJVDTM-ZWKOTPCHSA-N 1 2 363.889 3.095 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156503801 496263004 /nfs/dbraw/zinc/26/30/04/496263004.db2.gz SSAYLKXRZJVDTM-ZWKOTPCHSA-N 1 2 363.889 3.095 20 30 FGEDLO COc1ccc(-c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc2C)cc1 ZINC000574694892 505833823 /nfs/dbraw/zinc/83/38/23/505833823.db2.gz SXQALIDRXDZITR-IBGZPJMESA-N 1 2 357.479 3.306 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1[nH+]ccn1C ZINC000162021504 496282519 /nfs/dbraw/zinc/28/25/19/496282519.db2.gz UVCKDRPALUMQET-ZDUSSCGKSA-N 1 2 371.510 3.081 20 30 FGEDLO COc1cc(N[C@@H]2CCCN(c3cc(C)[nH+]cc3C#N)C2)cc(OC)c1 ZINC000571875822 505835496 /nfs/dbraw/zinc/83/54/96/505835496.db2.gz BEIGCDPJLFURMD-MRXNPFEDSA-N 1 2 352.438 3.360 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184257217 496306559 /nfs/dbraw/zinc/30/65/59/496306559.db2.gz VTSAXVUHVSUPPW-UHFFFAOYSA-N 1 2 373.384 3.263 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184257217 496306565 /nfs/dbraw/zinc/30/65/65/496306565.db2.gz VTSAXVUHVSUPPW-UHFFFAOYSA-N 1 2 373.384 3.263 20 30 FGEDLO COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000184418820 496376041 /nfs/dbraw/zinc/37/60/41/496376041.db2.gz MESDBEGRKNBMMJ-UHFFFAOYSA-N 1 2 362.389 3.021 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000187462955 496452068 /nfs/dbraw/zinc/45/20/68/496452068.db2.gz VDBTWYLORQGVPH-UHFFFAOYSA-N 1 2 374.419 3.335 20 30 FGEDLO COc1ccc(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1C#N ZINC000163048615 496455607 /nfs/dbraw/zinc/45/56/07/496455607.db2.gz WAAWXMGBSMRATF-UHFFFAOYSA-N 1 2 364.449 3.268 20 30 FGEDLO N#Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000157533820 496498244 /nfs/dbraw/zinc/49/82/44/496498244.db2.gz GTBZFGPLIDLHQF-LJQANCHMSA-N 1 2 370.384 3.091 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000178583024 496507057 /nfs/dbraw/zinc/50/70/57/496507057.db2.gz HWFCFVKZMNNLGC-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1C#N ZINC000157656826 496524084 /nfs/dbraw/zinc/52/40/84/496524084.db2.gz FGLJVOUKXTVEBJ-UHFFFAOYSA-N 1 2 363.421 3.357 20 30 FGEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000181737390 496524630 /nfs/dbraw/zinc/52/46/30/496524630.db2.gz RLEDERTXZRMIHZ-LBPRGKRZSA-N 1 2 366.845 3.475 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157671934 496526388 /nfs/dbraw/zinc/52/63/88/496526388.db2.gz HEDOVIQOTOVXKT-LDBYXDLTSA-N 1 2 373.472 3.163 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157671934 496526394 /nfs/dbraw/zinc/52/63/94/496526394.db2.gz HEDOVIQOTOVXKT-LDBYXDLTSA-N 1 2 373.472 3.163 20 30 FGEDLO N#Cc1cc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000157709394 496535623 /nfs/dbraw/zinc/53/56/23/496535623.db2.gz FYGWDQQUBKXHQW-LJQANCHMSA-N 1 2 370.384 3.091 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 ZINC000178682861 496539439 /nfs/dbraw/zinc/53/94/39/496539439.db2.gz VTYYQFUKXWKUBJ-QGZVFWFLSA-N 1 2 363.461 3.394 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184819374 496544360 /nfs/dbraw/zinc/54/43/60/496544360.db2.gz YSSVMQGJHIRATH-MRXNPFEDSA-N 1 2 361.829 3.283 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)ccc3OC)n2)c1 ZINC000185129257 496672857 /nfs/dbraw/zinc/67/28/57/496672857.db2.gz WALREJIJBYVBIL-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO N#CC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182168477 496695060 /nfs/dbraw/zinc/69/50/60/496695060.db2.gz DFRANAGXYDVVFB-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179200753 496709272 /nfs/dbraw/zinc/70/92/72/496709272.db2.gz PZNGNWRUIMIORU-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179219152 496715319 /nfs/dbraw/zinc/71/53/19/496715319.db2.gz XXMFFAITKXCRCV-CVEARBPZSA-N 1 2 352.841 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179219152 496715324 /nfs/dbraw/zinc/71/53/24/496715324.db2.gz XXMFFAITKXCRCV-CVEARBPZSA-N 1 2 352.841 3.217 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194976678 496779773 /nfs/dbraw/zinc/77/97/73/496779773.db2.gz OPSTWVFQQQZIQU-PXAZEXFGSA-N 1 2 364.287 3.250 20 30 FGEDLO C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000194976678 496779779 /nfs/dbraw/zinc/77/97/79/496779779.db2.gz OPSTWVFQQQZIQU-PXAZEXFGSA-N 1 2 364.287 3.250 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000195056864 496807534 /nfs/dbraw/zinc/80/75/34/496807534.db2.gz RJSXUSLJYGZFHE-IEBWSBKVSA-N 1 2 365.458 3.134 20 30 FGEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C2CCCCC2)no1 ZINC000191577149 496818982 /nfs/dbraw/zinc/81/89/82/496818982.db2.gz GGUHCTJGRHRJMH-ZDUSSCGKSA-N 1 2 350.426 3.487 20 30 FGEDLO C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1nc(C2CCCCC2)no1 ZINC000191577149 496818987 /nfs/dbraw/zinc/81/89/87/496818987.db2.gz GGUHCTJGRHRJMH-ZDUSSCGKSA-N 1 2 350.426 3.487 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000191816442 496899905 /nfs/dbraw/zinc/89/99/05/496899905.db2.gz LKBQIPRJIKJAJB-DJIMGWMZSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000191816442 496899909 /nfs/dbraw/zinc/89/99/09/496899909.db2.gz LKBQIPRJIKJAJB-DJIMGWMZSA-N 1 2 365.271 3.089 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)c1ccccc1 ZINC000277882635 496920806 /nfs/dbraw/zinc/92/08/06/496920806.db2.gz SNBROKMAOGHXKD-MSOLQXFVSA-N 1 2 351.454 3.285 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000277882635 496920808 /nfs/dbraw/zinc/92/08/08/496920808.db2.gz SNBROKMAOGHXKD-MSOLQXFVSA-N 1 2 351.454 3.285 20 30 FGEDLO C=CCOCCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273906790 496953391 /nfs/dbraw/zinc/95/33/91/496953391.db2.gz HPOXCKAUXPKIHW-UHFFFAOYSA-N 1 2 366.259 3.004 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)c1 ZINC000269621007 496978787 /nfs/dbraw/zinc/97/87/87/496978787.db2.gz CVHQAZSSKUNLLK-UHFFFAOYSA-N 1 2 361.449 3.042 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249156643 497176615 /nfs/dbraw/zinc/17/66/15/497176615.db2.gz YUQRVYKNDGCBBA-LSDHHAIUSA-N 1 2 362.495 3.034 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249156643 497176622 /nfs/dbraw/zinc/17/66/22/497176622.db2.gz YUQRVYKNDGCBBA-LSDHHAIUSA-N 1 2 362.495 3.034 20 30 FGEDLO N#Cc1cc2c(nc1N1CCC[N@H+](Cc3cscn3)CC1)CCCC2 ZINC000270926594 497227888 /nfs/dbraw/zinc/22/78/88/497227888.db2.gz HCMPYQNNRZMVFD-UHFFFAOYSA-N 1 2 353.495 3.001 20 30 FGEDLO N#Cc1cc2c(nc1N1CCC[N@@H+](Cc3cscn3)CC1)CCCC2 ZINC000270926594 497227894 /nfs/dbraw/zinc/22/78/94/497227894.db2.gz HCMPYQNNRZMVFD-UHFFFAOYSA-N 1 2 353.495 3.001 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271010210 497245695 /nfs/dbraw/zinc/24/56/95/497245695.db2.gz PHOAFUUTFWRTFT-RTBURBONSA-N 1 2 368.506 3.377 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000249841949 497252550 /nfs/dbraw/zinc/25/25/50/497252550.db2.gz XVFGTRWXTTXEHZ-DYVFJYSZSA-N 1 2 366.303 3.496 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000249841949 497252556 /nfs/dbraw/zinc/25/25/56/497252556.db2.gz XVFGTRWXTTXEHZ-DYVFJYSZSA-N 1 2 366.303 3.496 20 30 FGEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000189883820 497280168 /nfs/dbraw/zinc/28/01/68/497280168.db2.gz ZXOYLYJJAULRIP-OAQYLSRUSA-N 1 2 354.498 3.198 20 30 FGEDLO C=C[C@](C)(CC)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000189883820 497280171 /nfs/dbraw/zinc/28/01/71/497280171.db2.gz ZXOYLYJJAULRIP-OAQYLSRUSA-N 1 2 354.498 3.198 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000266734131 497407996 /nfs/dbraw/zinc/40/79/96/497407996.db2.gz MNLYGLMAVHASQX-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000266734131 497408005 /nfs/dbraw/zinc/40/80/05/497408005.db2.gz MNLYGLMAVHASQX-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000193722281 497458984 /nfs/dbraw/zinc/45/89/84/497458984.db2.gz JVHUQWDMUMQOPC-AWEZNQCLSA-N 1 2 367.449 3.205 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000193722281 497458988 /nfs/dbraw/zinc/45/89/88/497458988.db2.gz JVHUQWDMUMQOPC-AWEZNQCLSA-N 1 2 367.449 3.205 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000279538434 497467171 /nfs/dbraw/zinc/46/71/71/497467171.db2.gz SVXOXCYGEPEXSA-RDTXWAMCSA-N 1 2 361.405 3.133 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245668354 497493381 /nfs/dbraw/zinc/49/33/81/497493381.db2.gz JJCQBWIAGAKVBV-RBUKOAKNSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245668354 497493385 /nfs/dbraw/zinc/49/33/85/497493385.db2.gz JJCQBWIAGAKVBV-RBUKOAKNSA-N 1 2 370.403 3.081 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272603381 497677333 /nfs/dbraw/zinc/67/73/33/497677333.db2.gz REJQUWHOKBMMMY-GFCCVEGCSA-N 1 2 350.260 3.402 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000191130397 497718391 /nfs/dbraw/zinc/71/83/91/497718391.db2.gz IXSYKBDXZNAURM-UHFFFAOYSA-N 1 2 359.495 3.267 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000191130397 497718393 /nfs/dbraw/zinc/71/83/93/497718393.db2.gz IXSYKBDXZNAURM-UHFFFAOYSA-N 1 2 359.495 3.267 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000246828684 497814397 /nfs/dbraw/zinc/81/43/97/497814397.db2.gz CHDYDPOIBYQCJO-YOEHRIQHSA-N 1 2 365.930 3.438 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000246828684 497814398 /nfs/dbraw/zinc/81/43/98/497814398.db2.gz CHDYDPOIBYQCJO-YOEHRIQHSA-N 1 2 365.930 3.438 20 30 FGEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@H]1CCCCC12CCCC2 ZINC000329548044 497826941 /nfs/dbraw/zinc/82/69/41/497826941.db2.gz HOSFOYPIXAGJEA-SFHVURJKSA-N 1 2 372.513 3.425 20 30 FGEDLO O=C(C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CCC1 ZINC000329590171 497838178 /nfs/dbraw/zinc/83/81/78/497838178.db2.gz SYEPJBKTIOKPMX-GOSISDBHSA-N 1 2 371.481 3.171 20 30 FGEDLO O=C(C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CCC1 ZINC000329590171 497838186 /nfs/dbraw/zinc/83/81/86/497838186.db2.gz SYEPJBKTIOKPMX-GOSISDBHSA-N 1 2 371.481 3.171 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329683129 497867758 /nfs/dbraw/zinc/86/77/58/497867758.db2.gz YZGOPUUDTQDGNV-CABCVRRESA-N 1 2 373.453 3.309 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329683129 497867763 /nfs/dbraw/zinc/86/77/63/497867763.db2.gz YZGOPUUDTQDGNV-CABCVRRESA-N 1 2 373.453 3.309 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329732939 497882716 /nfs/dbraw/zinc/88/27/16/497882716.db2.gz QOAIYYRLOWWADK-YZLZLFLDSA-N 1 2 350.466 3.449 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000329732939 497882724 /nfs/dbraw/zinc/88/27/24/497882724.db2.gz QOAIYYRLOWWADK-YZLZLFLDSA-N 1 2 350.466 3.449 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000329732006 497882895 /nfs/dbraw/zinc/88/28/95/497882895.db2.gz PZTRQHOWDFTOSE-CQSZACIVSA-N 1 2 369.856 3.305 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000329732006 497882902 /nfs/dbraw/zinc/88/29/02/497882902.db2.gz PZTRQHOWDFTOSE-CQSZACIVSA-N 1 2 369.856 3.305 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCO[C@@H](C4CCCCC4)C3)cn2c1 ZINC000329779066 497898800 /nfs/dbraw/zinc/89/88/00/497898800.db2.gz LQUSNJREZZKLBL-GOSISDBHSA-N 1 2 356.470 3.338 20 30 FGEDLO CC(C)O[C@@H]1C[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000329861754 497931932 /nfs/dbraw/zinc/93/19/32/497931932.db2.gz QMXFTKMEDZGEIN-IAGOWNOFSA-N 1 2 362.518 3.408 20 30 FGEDLO CC(=O)N[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCC1 ZINC000329897970 497944294 /nfs/dbraw/zinc/94/42/94/497944294.db2.gz LSPJYRKSSUIXJO-LJQANCHMSA-N 1 2 372.513 3.461 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000569512833 505952349 /nfs/dbraw/zinc/95/23/49/505952349.db2.gz BMOZJKIFQFTWJF-QGZVFWFLSA-N 1 2 350.809 3.465 20 30 FGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329900976 497945802 /nfs/dbraw/zinc/94/58/02/497945802.db2.gz GMUCZYYBVLTZRD-WBAXXEDZSA-N 1 2 354.454 3.431 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329918304 497952611 /nfs/dbraw/zinc/95/26/11/497952611.db2.gz RCLXXOAFYPHIHV-FUHWJXTLSA-N 1 2 355.486 3.382 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@]3(C1)OCc1ccccc13)CCC2 ZINC000329951372 497966996 /nfs/dbraw/zinc/96/69/96/497966996.db2.gz CNEIULSXEYYXRU-HRAATJIYSA-N 1 2 366.465 3.114 20 30 FGEDLO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c(C#N)c1C ZINC000301142161 497969898 /nfs/dbraw/zinc/96/98/98/497969898.db2.gz GNUWWLXECVHBQZ-AWEZNQCLSA-N 1 2 357.408 3.127 20 30 FGEDLO COc1ccc([C@@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000301151743 497973705 /nfs/dbraw/zinc/97/37/05/497973705.db2.gz PDZYCVJWUPJXJQ-GOSISDBHSA-N 1 2 372.856 3.101 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000329973440 497976684 /nfs/dbraw/zinc/97/66/84/497976684.db2.gz ZNMXWERCGHLTGZ-ZLIFDBKOSA-N 1 2 367.465 3.223 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000329973440 497976688 /nfs/dbraw/zinc/97/66/88/497976688.db2.gz ZNMXWERCGHLTGZ-ZLIFDBKOSA-N 1 2 367.465 3.223 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCC(F)(F)CC2)cn1 ZINC000329985586 497980274 /nfs/dbraw/zinc/98/02/74/497980274.db2.gz REAHTJZCFWLZOU-GJZGRUSLSA-N 1 2 358.408 3.115 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCC(F)(F)CC2)cn1 ZINC000329985586 497980281 /nfs/dbraw/zinc/98/02/81/497980281.db2.gz REAHTJZCFWLZOU-GJZGRUSLSA-N 1 2 358.408 3.115 20 30 FGEDLO CCN1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329989961 497982938 /nfs/dbraw/zinc/98/29/38/497982938.db2.gz INQYRFKQWYUOJX-HKUYNNGSSA-N 1 2 367.497 3.122 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281074597 498011041 /nfs/dbraw/zinc/01/10/41/498011041.db2.gz OMXIZIMXOQNHMO-LPHOPBHVSA-N 1 2 370.453 3.065 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@]2(CCCOC2)O1 ZINC000330130265 498032693 /nfs/dbraw/zinc/03/26/93/498032693.db2.gz OVDMDYIEWFORNX-LYLJNWGWSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@]2(CCCOC2)O1 ZINC000330130265 498032697 /nfs/dbraw/zinc/03/26/97/498032697.db2.gz OVDMDYIEWFORNX-LYLJNWGWSA-N 1 2 362.514 3.182 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(F)c1 ZINC000330134671 498034241 /nfs/dbraw/zinc/03/42/41/498034241.db2.gz SCSQIOIADIDCDZ-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(F)c1 ZINC000330134671 498034244 /nfs/dbraw/zinc/03/42/44/498034244.db2.gz SCSQIOIADIDCDZ-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000330152205 498041867 /nfs/dbraw/zinc/04/18/67/498041867.db2.gz WNPBYUNUJFGTKW-QGZVFWFLSA-N 1 2 373.888 3.172 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@]2(CCOC2)O1 ZINC000330157898 498043197 /nfs/dbraw/zinc/04/31/97/498043197.db2.gz PSBBAKHOTKQYDP-MRRJBJDNSA-N 1 2 353.488 3.006 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@]2(CCOC2)O1 ZINC000330157898 498043203 /nfs/dbraw/zinc/04/32/03/498043203.db2.gz PSBBAKHOTKQYDP-MRRJBJDNSA-N 1 2 353.488 3.006 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)C1=O ZINC000281245752 498071377 /nfs/dbraw/zinc/07/13/77/498071377.db2.gz GLYGLJKRHCIAGS-CYBMUJFWSA-N 1 2 353.344 3.065 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)C1=O ZINC000281245752 498071384 /nfs/dbraw/zinc/07/13/84/498071384.db2.gz GLYGLJKRHCIAGS-CYBMUJFWSA-N 1 2 353.344 3.065 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCC[C@@H]3O)n2)C1 ZINC000330249323 498079688 /nfs/dbraw/zinc/07/96/88/498079688.db2.gz ZTULECLJOZRFMG-QEJZJMRPSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCC[C@@H]3O)n2)C1 ZINC000330249323 498079693 /nfs/dbraw/zinc/07/96/93/498079693.db2.gz ZTULECLJOZRFMG-QEJZJMRPSA-N 1 2 352.504 3.004 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330274580 498089388 /nfs/dbraw/zinc/08/93/88/498089388.db2.gz KJOHWVFJDLJORN-IRXDYDNUSA-N 1 2 356.495 3.210 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc3occ(C)c3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330325496 498105787 /nfs/dbraw/zinc/10/57/87/498105787.db2.gz JHXJYHXZVDMLDX-MRXNPFEDSA-N 1 2 353.426 3.389 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(Cl)cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330332377 498107815 /nfs/dbraw/zinc/10/78/15/498107815.db2.gz OUUTZICXEGTGNM-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330341609 498111286 /nfs/dbraw/zinc/11/12/86/498111286.db2.gz ZLWSZUXTLBANIB-UONOGXRCSA-N 1 2 373.423 3.123 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000281447171 498153567 /nfs/dbraw/zinc/15/35/67/498153567.db2.gz UMDGBZHRAWFECW-FQEVSTJZSA-N 1 2 363.461 3.011 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000281447171 498153572 /nfs/dbraw/zinc/15/35/72/498153572.db2.gz UMDGBZHRAWFECW-FQEVSTJZSA-N 1 2 363.461 3.011 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000285649082 498158703 /nfs/dbraw/zinc/15/87/03/498158703.db2.gz YGRUJLXRQOJFON-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000330626240 498162886 /nfs/dbraw/zinc/16/28/86/498162886.db2.gz VDECLXOLGJZOKF-UONOGXRCSA-N 1 2 363.458 3.306 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1c(F)cncc1F ZINC000285693101 498173522 /nfs/dbraw/zinc/17/35/22/498173522.db2.gz NVNRXULTUWSAPY-KGLIPLIRSA-N 1 2 358.392 3.346 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292967839 498215586 /nfs/dbraw/zinc/21/55/86/498215586.db2.gz KULSEBKDZOTOQT-HNNXBMFYSA-N 1 2 353.875 3.049 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000330946980 498222777 /nfs/dbraw/zinc/22/27/77/498222777.db2.gz LNJITDGIFKYCTB-XHDPSFHLSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000330946980 498222786 /nfs/dbraw/zinc/22/27/86/498222786.db2.gz LNJITDGIFKYCTB-XHDPSFHLSA-N 1 2 372.332 3.385 20 30 FGEDLO CCc1nnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(C#N)c1CC ZINC000301702292 498231015 /nfs/dbraw/zinc/23/10/15/498231015.db2.gz GRVFIIFCUOYVQE-UHFFFAOYSA-N 1 2 369.900 3.449 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1[C@H]1CCCO1 ZINC000289679091 498244269 /nfs/dbraw/zinc/24/42/69/498244269.db2.gz HNSJTFGNIKHAFI-QAPCUYQASA-N 1 2 359.495 3.130 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1[C@H]1CCCO1 ZINC000289679091 498244273 /nfs/dbraw/zinc/24/42/73/498244273.db2.gz HNSJTFGNIKHAFI-QAPCUYQASA-N 1 2 359.495 3.130 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360108010 498246932 /nfs/dbraw/zinc/24/69/32/498246932.db2.gz PLZHMOUWTVGSEI-ZBFHGGJFSA-N 1 2 374.510 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360108010 498246942 /nfs/dbraw/zinc/24/69/42/498246942.db2.gz PLZHMOUWTVGSEI-ZBFHGGJFSA-N 1 2 374.510 3.222 20 30 FGEDLO N#Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301766363 498256380 /nfs/dbraw/zinc/25/63/80/498256380.db2.gz HGRJHAQPYUCMCG-CQSZACIVSA-N 1 2 360.377 3.100 20 30 FGEDLO COc1cccc([C@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn2C)c1 ZINC000360733996 498302892 /nfs/dbraw/zinc/30/28/92/498302892.db2.gz NBIMULLYNUDJIQ-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)CCOCC1 ZINC000281886415 498305172 /nfs/dbraw/zinc/30/51/72/498305172.db2.gz DMJNXCQDGZJXJA-LJQANCHMSA-N 1 2 356.466 3.061 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)CCOCC1 ZINC000281886415 498305177 /nfs/dbraw/zinc/30/51/77/498305177.db2.gz DMJNXCQDGZJXJA-LJQANCHMSA-N 1 2 356.466 3.061 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000360850033 498315834 /nfs/dbraw/zinc/31/58/34/498315834.db2.gz NIKYXDLGYNMTJX-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000360850033 498315839 /nfs/dbraw/zinc/31/58/39/498315839.db2.gz NIKYXDLGYNMTJX-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO Cc1nnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000301898401 498318192 /nfs/dbraw/zinc/31/81/92/498318192.db2.gz RZZPURMLKBIZFB-ZWKOTPCHSA-N 1 2 371.872 3.102 20 30 FGEDLO Cc1nnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000301898401 498318198 /nfs/dbraw/zinc/31/81/98/498318198.db2.gz RZZPURMLKBIZFB-ZWKOTPCHSA-N 1 2 371.872 3.102 20 30 FGEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000361341455 498376959 /nfs/dbraw/zinc/37/69/59/498376959.db2.gz CMBWNTXUTAPKRY-UHFFFAOYSA-N 1 2 367.424 3.100 20 30 FGEDLO N#Cc1cc(Br)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000302181936 498431140 /nfs/dbraw/zinc/43/11/40/498431140.db2.gz OBGYONYVCQYPOU-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000365379651 498434167 /nfs/dbraw/zinc/43/41/67/498434167.db2.gz PQKNDAOYHVJVNK-GOSISDBHSA-N 1 2 351.454 3.406 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)[C@@]3(C#N)CC34CCCC4)ccc2n1[C@@H](C)CO ZINC000581710432 506050458 /nfs/dbraw/zinc/05/04/58/506050458.db2.gz KJTFJCCNWADPDB-RBZFPXEDSA-N 1 2 352.438 3.311 20 30 FGEDLO Cc1ccc([C@@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)s1 ZINC000302459118 498488026 /nfs/dbraw/zinc/48/80/26/498488026.db2.gz RDJYEDMLHRSIKD-QGZVFWFLSA-N 1 2 352.463 3.285 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000286727706 498490308 /nfs/dbraw/zinc/49/03/08/498490308.db2.gz DUHJARWJVLQCFP-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000286727706 498490304 /nfs/dbraw/zinc/49/03/04/498490304.db2.gz DUHJARWJVLQCFP-CYBMUJFWSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCOCC2)nc1C#N ZINC000302645743 498523137 /nfs/dbraw/zinc/52/31/37/498523137.db2.gz MDMIEBSTPRHJKU-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(OC)c2)cc1 ZINC000362720534 498544127 /nfs/dbraw/zinc/54/41/27/498544127.db2.gz XMELGOWQZBWMQA-NRFANRHFSA-N 1 2 361.445 3.320 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000581722558 506053885 /nfs/dbraw/zinc/05/38/85/506053885.db2.gz FKFHLKNJBGGJQI-CRAIPNDOSA-N 1 2 351.454 3.343 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1F ZINC000362812466 498558503 /nfs/dbraw/zinc/55/85/03/498558503.db2.gz CMOYNRSMVYHDAY-QGZVFWFLSA-N 1 2 370.334 3.228 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297761626 498560768 /nfs/dbraw/zinc/56/07/68/498560768.db2.gz PVEIUOYIINLFMX-NRFANRHFSA-N 1 2 353.466 3.240 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000294251594 498634820 /nfs/dbraw/zinc/63/48/20/498634820.db2.gz UOJTZUBRIIHJJP-KRWDZBQOSA-N 1 2 357.502 3.115 20 30 FGEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000303194040 498654188 /nfs/dbraw/zinc/65/41/88/498654188.db2.gz ZTTKXVQQCAWXMB-SFHVURJKSA-N 1 2 356.514 3.011 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287219985 498676954 /nfs/dbraw/zinc/67/69/54/498676954.db2.gz GQMFWQDYUSPBOJ-UHFFFAOYSA-N 1 2 350.447 3.419 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287219985 498676950 /nfs/dbraw/zinc/67/69/50/498676950.db2.gz GQMFWQDYUSPBOJ-UHFFFAOYSA-N 1 2 350.447 3.419 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287316087 498713051 /nfs/dbraw/zinc/71/30/51/498713051.db2.gz JRWZUZMMIZZLGK-QZTJIDSGSA-N 1 2 368.437 3.399 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287316087 498713060 /nfs/dbraw/zinc/71/30/60/498713060.db2.gz JRWZUZMMIZZLGK-QZTJIDSGSA-N 1 2 368.437 3.399 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282939554 498717798 /nfs/dbraw/zinc/71/77/98/498717798.db2.gz ZSIDAUDSOQJTGK-ZMPUUUETSA-N 1 2 366.465 3.220 20 30 FGEDLO C[C@]12CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C[C@H]1C2(F)F ZINC000298319216 498730856 /nfs/dbraw/zinc/73/08/56/498730856.db2.gz QQSLMXQMHUMERZ-ZBFHGGJFSA-N 1 2 351.422 3.218 20 30 FGEDLO C[C@]12CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C[C@H]1C2(F)F ZINC000298319216 498730861 /nfs/dbraw/zinc/73/08/61/498730861.db2.gz QQSLMXQMHUMERZ-ZBFHGGJFSA-N 1 2 351.422 3.218 20 30 FGEDLO Cc1nc(-c2ccc(C)c(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)c2)n[nH]1 ZINC000366191940 498816746 /nfs/dbraw/zinc/81/67/46/498816746.db2.gz MOMGCICQOSNTCP-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO Cc1nc(-c2ccc(C)c(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)c2)n[nH]1 ZINC000366191940 498816753 /nfs/dbraw/zinc/81/67/53/498816753.db2.gz MOMGCICQOSNTCP-UHFFFAOYSA-N 1 2 374.448 3.031 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000573022676 506101426 /nfs/dbraw/zinc/10/14/26/506101426.db2.gz PDDAEXFIYQHXLS-HNNXBMFYSA-N 1 2 365.424 3.309 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000573022676 506101428 /nfs/dbraw/zinc/10/14/28/506101428.db2.gz PDDAEXFIYQHXLS-HNNXBMFYSA-N 1 2 365.424 3.309 20 30 FGEDLO COC(=O)c1ccc(Br)cc1C[N@H+](CCC#N)CC1CC1 ZINC000579135368 506101813 /nfs/dbraw/zinc/10/18/13/506101813.db2.gz NJUWLKILZDJJDU-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO COC(=O)c1ccc(Br)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000579135368 506101815 /nfs/dbraw/zinc/10/18/15/506101815.db2.gz NJUWLKILZDJJDU-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO Cc1nc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c(C)s1 ZINC000328647036 498888421 /nfs/dbraw/zinc/88/84/21/498888421.db2.gz HENCLEJSBHGFHV-UHFFFAOYSA-N 1 2 357.439 3.109 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1Cc3ccccc3N(C)C[C@H]1C)CCC2 ZINC000328659877 498894582 /nfs/dbraw/zinc/89/45/82/498894582.db2.gz UIMMYQLYWQUQMY-SJORKVTESA-N 1 2 367.497 3.323 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nc2c(s1)CCC2 ZINC000328679131 498899563 /nfs/dbraw/zinc/89/95/63/498899563.db2.gz BMNCSQITPVJQSL-KGLIPLIRSA-N 1 2 369.494 3.274 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nc2c(s1)CCC2 ZINC000328679131 498899571 /nfs/dbraw/zinc/89/95/71/498899571.db2.gz BMNCSQITPVJQSL-KGLIPLIRSA-N 1 2 369.494 3.274 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC4(CC4)CC3)CC2)cc1 ZINC000333102222 498899795 /nfs/dbraw/zinc/89/97/95/498899795.db2.gz CXQJJAXOKIGJPJ-UHFFFAOYSA-N 1 2 352.482 3.108 20 30 FGEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CCCC12CCOCC2 ZINC000328807632 498945699 /nfs/dbraw/zinc/94/56/99/498945699.db2.gz MEOCBTOZLADPCN-HNNXBMFYSA-N 1 2 362.861 3.341 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363721286 498960120 /nfs/dbraw/zinc/96/01/20/498960120.db2.gz UADYMKGUAVHBIV-NVXWUHKLSA-N 1 2 365.399 3.439 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363721286 498960124 /nfs/dbraw/zinc/96/01/24/498960124.db2.gz UADYMKGUAVHBIV-NVXWUHKLSA-N 1 2 365.399 3.439 20 30 FGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570220403 506118388 /nfs/dbraw/zinc/11/83/88/506118388.db2.gz CMLWUERYHHMCTQ-FZMZJTMJSA-N 1 2 351.237 3.132 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)ccc2[nH+]1 ZINC000328870545 498969138 /nfs/dbraw/zinc/96/91/38/498969138.db2.gz YAHOGBKXEUKYKW-HNNXBMFYSA-N 1 2 355.442 3.159 20 30 FGEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328874904 498969441 /nfs/dbraw/zinc/96/94/41/498969441.db2.gz RVWSOATYRBLOTL-OCCSQVGLSA-N 1 2 370.371 3.366 20 30 FGEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328874904 498969446 /nfs/dbraw/zinc/96/94/46/498969446.db2.gz RVWSOATYRBLOTL-OCCSQVGLSA-N 1 2 370.371 3.366 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328907756 498982050 /nfs/dbraw/zinc/98/20/50/498982050.db2.gz LTMBHWCMPJTRHS-CYBMUJFWSA-N 1 2 357.483 3.340 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC000328907757 498982418 /nfs/dbraw/zinc/98/24/18/498982418.db2.gz LTMBHWCMPJTRHS-ZDUSSCGKSA-N 1 2 357.483 3.340 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1CCSC1 ZINC000328953717 498997200 /nfs/dbraw/zinc/99/72/00/498997200.db2.gz YCHXXKWBDVKIMD-BBRMVZONSA-N 1 2 360.483 3.440 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1CCSC1 ZINC000328953717 498997202 /nfs/dbraw/zinc/99/72/02/498997202.db2.gz YCHXXKWBDVKIMD-BBRMVZONSA-N 1 2 360.483 3.440 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363797923 498998914 /nfs/dbraw/zinc/99/89/14/498998914.db2.gz WHYVBTFHSFVQQB-LLVKDONJSA-N 1 2 369.475 3.428 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)COC2)C1CCOCC1 ZINC000328969547 499001739 /nfs/dbraw/zinc/00/17/39/499001739.db2.gz ATKFNFHHEQJAOR-GOSISDBHSA-N 1 2 355.438 3.406 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328973012 499002496 /nfs/dbraw/zinc/00/24/96/499002496.db2.gz PEHVJIANGBTJMO-QRVBRYPASA-N 1 2 370.497 3.101 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328973012 499002502 /nfs/dbraw/zinc/00/25/02/499002502.db2.gz PEHVJIANGBTJMO-QRVBRYPASA-N 1 2 370.497 3.101 20 30 FGEDLO Cc1nc([C@@H]2C[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)no1 ZINC000328981350 499005588 /nfs/dbraw/zinc/00/55/88/499005588.db2.gz DORVLQJKTRUFGF-ROUUACIJSA-N 1 2 370.453 3.176 20 30 FGEDLO Cc1nc([C@@H]2C[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)no1 ZINC000328981350 499005590 /nfs/dbraw/zinc/00/55/90/499005590.db2.gz DORVLQJKTRUFGF-ROUUACIJSA-N 1 2 370.453 3.176 20 30 FGEDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)C2)cc(OC)c1 ZINC000328984997 499006880 /nfs/dbraw/zinc/00/68/80/499006880.db2.gz ZLDWEEYBMXENMU-OIISXLGYSA-N 1 2 374.481 3.240 20 30 FGEDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)C2)cc(OC)c1 ZINC000328984997 499006881 /nfs/dbraw/zinc/00/68/81/499006881.db2.gz ZLDWEEYBMXENMU-OIISXLGYSA-N 1 2 374.481 3.240 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C2 ZINC000329199184 499070109 /nfs/dbraw/zinc/07/01/09/499070109.db2.gz AVLIIXYENFUQPA-GJZGRUSLSA-N 1 2 370.501 3.360 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000333767127 499074188 /nfs/dbraw/zinc/07/41/88/499074188.db2.gz QMQWTPUJGSQYIE-GVDBMIGSSA-N 1 2 351.454 3.211 20 30 FGEDLO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329228789 499077985 /nfs/dbraw/zinc/07/79/85/499077985.db2.gz IXRQBFMLLIHKKO-INIZCTEOSA-N 1 2 373.888 3.435 20 30 FGEDLO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329228789 499077987 /nfs/dbraw/zinc/07/79/87/499077987.db2.gz IXRQBFMLLIHKKO-INIZCTEOSA-N 1 2 373.888 3.435 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000329237354 499080467 /nfs/dbraw/zinc/08/04/67/499080467.db2.gz KESIJSVIKCXCGE-CQSZACIVSA-N 1 2 373.476 3.122 20 30 FGEDLO CC(C)[N@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582091399 506130725 /nfs/dbraw/zinc/13/07/25/506130725.db2.gz QEKCNOMYKUXMNH-UHFFFAOYSA-N 1 2 373.194 3.323 20 30 FGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582091399 506130728 /nfs/dbraw/zinc/13/07/28/506130728.db2.gz QEKCNOMYKUXMNH-UHFFFAOYSA-N 1 2 373.194 3.323 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329272012 499088637 /nfs/dbraw/zinc/08/86/37/499088637.db2.gz IIZGWVGNJFVUDD-BPQIPLTHSA-N 1 2 352.519 3.428 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329272012 499088640 /nfs/dbraw/zinc/08/86/40/499088640.db2.gz IIZGWVGNJFVUDD-BPQIPLTHSA-N 1 2 352.519 3.428 20 30 FGEDLO O=C(C[NH+]1CCN(c2ccnc3cc(F)cnc32)CC1)NC1CCCCC1 ZINC000329390004 499113563 /nfs/dbraw/zinc/11/35/63/499113563.db2.gz RCTXLIYLQYNBKC-UHFFFAOYSA-N 1 2 371.460 3.180 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCCCNC2=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000329396169 499114847 /nfs/dbraw/zinc/11/48/47/499114847.db2.gz VZPHPGPKQFOTGI-GOEBONIOSA-N 1 2 359.474 3.413 20 30 FGEDLO COc1ccccc1[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccn1 ZINC000366931556 499117955 /nfs/dbraw/zinc/11/79/55/499117955.db2.gz HAVQRJSOKRWNPC-QFIPXVFZSA-N 1 2 369.428 3.489 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCS[C@H](C)CC1)C1CCOCC1 ZINC000329476263 499126812 /nfs/dbraw/zinc/12/68/12/499126812.db2.gz NXCXPWSWEWBKGL-GDBMZVCRSA-N 1 2 366.531 3.112 20 30 FGEDLO CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000329495386 499128066 /nfs/dbraw/zinc/12/80/66/499128066.db2.gz URTQTVBXJJJCMB-RBUKOAKNSA-N 1 2 360.498 3.417 20 30 FGEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000372825997 499180964 /nfs/dbraw/zinc/18/09/64/499180964.db2.gz YMFHLIKTXHXXIX-INIZCTEOSA-N 1 2 355.438 3.072 20 30 FGEDLO CCCn1nccc1C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000370307190 499207855 /nfs/dbraw/zinc/20/78/55/499207855.db2.gz FYVYTHINLCGJDD-HXUWFJFHSA-N 1 2 366.465 3.258 20 30 FGEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(-c2ccccc2)no1 ZINC000367572168 499214044 /nfs/dbraw/zinc/21/40/44/499214044.db2.gz ZXESLJFKEVBLFR-FXAWDEMLSA-N 1 2 369.469 3.078 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000370576735 499232970 /nfs/dbraw/zinc/23/29/70/499232970.db2.gz VWOSBRSPWXUOTI-SFHVURJKSA-N 1 2 367.428 3.001 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000368014057 499255027 /nfs/dbraw/zinc/25/50/27/499255027.db2.gz CZAQYUHXVKXQAQ-UHFFFAOYSA-N 1 2 354.454 3.084 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1)OCC ZINC000371066358 499285352 /nfs/dbraw/zinc/28/53/52/499285352.db2.gz ZWBHCIYCQUBKRS-IEBWSBKVSA-N 1 2 357.454 3.006 20 30 FGEDLO C#CCC(C)(C)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000368764263 499329462 /nfs/dbraw/zinc/32/94/62/499329462.db2.gz YSCFAXZXUCHWCA-UHFFFAOYSA-N 1 2 356.514 3.385 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC000369092072 499364795 /nfs/dbraw/zinc/36/47/95/499364795.db2.gz MHUMRZQZNZPXHI-MRXNPFEDSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC000369092072 499364797 /nfs/dbraw/zinc/36/47/97/499364797.db2.gz MHUMRZQZNZPXHI-MRXNPFEDSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1ccc(C#N)c(N2CCC[C@@H](c3nc(Cc4ccc(C)[nH+]c4)no3)C2)n1 ZINC000371905507 499377400 /nfs/dbraw/zinc/37/74/00/499377400.db2.gz ZXBFVEJCNGOAHU-GOSISDBHSA-N 1 2 374.448 3.323 20 30 FGEDLO Cc1ccc([C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000369289649 499388235 /nfs/dbraw/zinc/38/82/35/499388235.db2.gz CERAUTOEGLEIPS-QHCPKHFHSA-N 1 2 370.456 3.257 20 30 FGEDLO N#Cc1ncn(C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)n1 ZINC000369386906 499398350 /nfs/dbraw/zinc/39/83/50/499398350.db2.gz AENDQOLMMPZWNF-UHFFFAOYSA-N 1 2 356.480 3.172 20 30 FGEDLO CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000372182536 499406262 /nfs/dbraw/zinc/40/62/62/499406262.db2.gz WPGUTLFFZPYJPO-LJQANCHMSA-N 1 2 359.433 3.247 20 30 FGEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCc2ccccc2C1 ZINC000378455246 499518919 /nfs/dbraw/zinc/51/89/19/499518919.db2.gz RMBIAFCUFZOUQJ-HSZRJFAPSA-N 1 2 374.488 3.387 20 30 FGEDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000375697540 499546409 /nfs/dbraw/zinc/54/64/09/499546409.db2.gz NVQRPSNTUFAYKR-LXPRWKDFSA-N 1 2 354.498 3.022 20 30 FGEDLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[NH2+]1 ZINC000375899594 499566345 /nfs/dbraw/zinc/56/63/45/499566345.db2.gz CUYLEGPBSAUQBF-QGZVFWFLSA-N 1 2 355.825 3.007 20 30 FGEDLO C=CCc1cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc(OC)c1OC ZINC000375949875 499570663 /nfs/dbraw/zinc/57/06/63/499570663.db2.gz VLJUJTCWVAMGRL-UHFFFAOYSA-N 1 2 369.465 3.237 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCc1cccs1 ZINC000411192379 499709124 /nfs/dbraw/zinc/70/91/24/499709124.db2.gz LULQFRFWMVPXPQ-AWEZNQCLSA-N 1 2 359.451 3.349 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCc1cccs1 ZINC000411192379 499709125 /nfs/dbraw/zinc/70/91/25/499709125.db2.gz LULQFRFWMVPXPQ-AWEZNQCLSA-N 1 2 359.451 3.349 20 30 FGEDLO N#CCCn1cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000582219223 506160734 /nfs/dbraw/zinc/16/07/34/506160734.db2.gz VIJRXFAQZIXTMF-OAQYLSRUSA-N 1 2 373.460 3.432 20 30 FGEDLO N#CCCn1cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000582219223 506160739 /nfs/dbraw/zinc/16/07/39/506160739.db2.gz VIJRXFAQZIXTMF-OAQYLSRUSA-N 1 2 373.460 3.432 20 30 FGEDLO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413041919 499906406 /nfs/dbraw/zinc/90/64/06/499906406.db2.gz HWAOLHZXGGBOIM-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413048244 499907081 /nfs/dbraw/zinc/90/70/81/499907081.db2.gz SGVQIBPPDUTKPE-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413071245 499909962 /nfs/dbraw/zinc/90/99/62/499909962.db2.gz ZSDXXQCDNYRUPT-CQSZACIVSA-N 1 2 367.409 3.007 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000413841748 500073495 /nfs/dbraw/zinc/07/34/95/500073495.db2.gz XCGRXBZQGHUHIM-ICSRJNTNSA-N 1 2 351.450 3.432 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cn21 ZINC000416682089 500085116 /nfs/dbraw/zinc/08/51/16/500085116.db2.gz JBUNLDVDVJNVRA-IBGZPJMESA-N 1 2 359.433 3.391 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000425404026 500094819 /nfs/dbraw/zinc/09/48/19/500094819.db2.gz VGPVEKDSAHYDIK-INIZCTEOSA-N 1 2 363.465 3.456 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000425587374 500154059 /nfs/dbraw/zinc/15/40/59/500154059.db2.gz NMTSQKALFLJFJO-UHFFFAOYSA-N 1 2 357.435 3.028 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000425594759 500156137 /nfs/dbraw/zinc/15/61/37/500156137.db2.gz GUHRLULJSLKYRS-CQSZACIVSA-N 1 2 368.824 3.215 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4c(F)cccc4c3)CC2)cc1 ZINC000429866691 500158387 /nfs/dbraw/zinc/15/83/87/500158387.db2.gz OJKNKDKTRRFPLW-UHFFFAOYSA-N 1 2 374.419 3.204 20 30 FGEDLO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427199437 500365764 /nfs/dbraw/zinc/36/57/64/500365764.db2.gz UMGOPPOYTLMGHQ-UHFFFAOYSA-N 1 2 370.478 3.178 20 30 FGEDLO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427199437 500365765 /nfs/dbraw/zinc/36/57/65/500365765.db2.gz UMGOPPOYTLMGHQ-UHFFFAOYSA-N 1 2 370.478 3.178 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432006009 500454090 /nfs/dbraw/zinc/45/40/90/500454090.db2.gz HPOGEBFFBURAOV-UHFFFAOYSA-N 1 2 361.461 3.065 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432006009 500454093 /nfs/dbraw/zinc/45/40/93/500454093.db2.gz HPOGEBFFBURAOV-UHFFFAOYSA-N 1 2 361.461 3.065 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000428206320 500481022 /nfs/dbraw/zinc/48/10/22/500481022.db2.gz MZLKJRINODMZGF-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000428206320 500481024 /nfs/dbraw/zinc/48/10/24/500481024.db2.gz MZLKJRINODMZGF-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO Cc1cc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(C#N)cc1N(C)C ZINC000573463995 506199595 /nfs/dbraw/zinc/19/95/95/506199595.db2.gz XNSYVZALGUGHJI-QGZVFWFLSA-N 1 2 366.469 3.281 20 30 FGEDLO COC(=O)C[C@@](C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000428482555 500516165 /nfs/dbraw/zinc/51/61/65/500516165.db2.gz PBZZILNYUJBWNX-HXUWFJFHSA-N 1 2 356.397 3.274 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2C[C@@H](CC)O[C@H](CC)C2)cc1 ZINC000420955153 500541031 /nfs/dbraw/zinc/54/10/31/500541031.db2.gz VWPGWLVERNTMHS-RTBURBONSA-N 1 2 373.497 3.221 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432730670 500553610 /nfs/dbraw/zinc/55/36/10/500553610.db2.gz MCYAJSIUKNLRJE-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000432730670 500553612 /nfs/dbraw/zinc/55/36/12/500553612.db2.gz MCYAJSIUKNLRJE-LLVKDONJSA-N 1 2 367.400 3.139 20 30 FGEDLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428787845 500557931 /nfs/dbraw/zinc/55/79/31/500557931.db2.gz QTGVGNHPEQENAJ-SFHVURJKSA-N 1 2 366.465 3.118 20 30 FGEDLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428787845 500557934 /nfs/dbraw/zinc/55/79/34/500557934.db2.gz QTGVGNHPEQENAJ-SFHVURJKSA-N 1 2 366.465 3.118 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1OC ZINC000576677097 506208836 /nfs/dbraw/zinc/20/88/36/506208836.db2.gz SNFWZYGAIPHTDD-UHFFFAOYSA-N 1 2 372.494 3.053 20 30 FGEDLO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)C[C@H](C)O1 ZINC000442979900 500658340 /nfs/dbraw/zinc/65/83/40/500658340.db2.gz PWQORABQLVSEPB-GJZGRUSLSA-N 1 2 365.433 3.125 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H](CC)CN1C(C)=O ZINC000437634896 500672487 /nfs/dbraw/zinc/67/24/87/500672487.db2.gz ISKSIRMWCQGPGY-IRXDYDNUSA-N 1 2 365.424 3.381 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H](CC)CN1C(C)=O ZINC000437634896 500672492 /nfs/dbraw/zinc/67/24/92/500672492.db2.gz ISKSIRMWCQGPGY-IRXDYDNUSA-N 1 2 365.424 3.381 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H](CC)CN1C(C)=O ZINC000437634894 500672801 /nfs/dbraw/zinc/67/28/01/500672801.db2.gz ISKSIRMWCQGPGY-DLBZAZTESA-N 1 2 365.424 3.381 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H](CC)CN1C(C)=O ZINC000437634894 500672804 /nfs/dbraw/zinc/67/28/04/500672804.db2.gz ISKSIRMWCQGPGY-DLBZAZTESA-N 1 2 365.424 3.381 20 30 FGEDLO Cc1cccc2nc(C3CC[NH+]([C@H](C(N)=O)c4ccc(C#N)cc4)CC3)oc21 ZINC000444762927 500894253 /nfs/dbraw/zinc/89/42/53/500894253.db2.gz BQMXOMPEPYSEDO-IBGZPJMESA-N 1 2 374.444 3.414 20 30 FGEDLO COCC[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445797547 501033295 /nfs/dbraw/zinc/03/32/95/501033295.db2.gz AOMAUQSSRUIFTJ-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO COCC[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445797547 501033297 /nfs/dbraw/zinc/03/32/97/501033297.db2.gz AOMAUQSSRUIFTJ-UHFFFAOYSA-N 1 2 360.461 3.452 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445814374 501036438 /nfs/dbraw/zinc/03/64/38/501036438.db2.gz WFWXQFDGWHZGBM-QHCPKHFHSA-N 1 2 371.488 3.314 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000435891547 501042127 /nfs/dbraw/zinc/04/21/27/501042127.db2.gz AFWVYKFPYPPEMF-LIRRHRJNSA-N 1 2 360.454 3.270 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1Cl ZINC000450335619 501093969 /nfs/dbraw/zinc/09/39/69/501093969.db2.gz ZBEFHBDILXANLM-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(CC(F)(F)F)n3)CC2)cc1 ZINC000450354726 501098795 /nfs/dbraw/zinc/09/87/95/501098795.db2.gz NVAUGXFXKXJVPU-UHFFFAOYSA-N 1 2 364.371 3.360 20 30 FGEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000446771076 501163475 /nfs/dbraw/zinc/16/34/75/501163475.db2.gz XERVHJFWMUAIAX-UHFFFAOYSA-N 1 2 351.450 3.288 20 30 FGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000602644887 506242437 /nfs/dbraw/zinc/24/24/37/506242437.db2.gz MPRLWMKCYIAOAA-HOTGVXAUSA-N 1 2 354.454 3.410 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000455284122 501262309 /nfs/dbraw/zinc/26/23/09/501262309.db2.gz QLTGIIHEJMZOIN-YJBOKZPZSA-N 1 2 360.889 3.250 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000455766833 501382331 /nfs/dbraw/zinc/38/23/31/501382331.db2.gz JAIYNBWPZDUYCH-AWEZNQCLSA-N 1 2 353.426 3.138 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000455766833 501382333 /nfs/dbraw/zinc/38/23/33/501382333.db2.gz JAIYNBWPZDUYCH-AWEZNQCLSA-N 1 2 353.426 3.138 20 30 FGEDLO COc1cc(C[NH2+]Cc2nnn(-c3ccccc3)c2C2CC2)ccc1C#N ZINC000602667609 506254053 /nfs/dbraw/zinc/25/40/53/506254053.db2.gz QTFVFVHOOYAFOX-UHFFFAOYSA-N 1 2 359.433 3.315 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)CC#N ZINC000459260406 501620893 /nfs/dbraw/zinc/62/08/93/501620893.db2.gz PZYGQDRTRDUFMY-UHFFFAOYSA-N 1 2 357.502 3.269 20 30 FGEDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459326928 501631719 /nfs/dbraw/zinc/63/17/19/501631719.db2.gz NRZAQBMMVDODRA-HNNXBMFYSA-N 1 2 367.405 3.278 20 30 FGEDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459326928 501631721 /nfs/dbraw/zinc/63/17/21/501631721.db2.gz NRZAQBMMVDODRA-HNNXBMFYSA-N 1 2 367.405 3.278 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000459344997 501636024 /nfs/dbraw/zinc/63/60/24/501636024.db2.gz CDXOKZMQUNOCAM-UHFFFAOYSA-N 1 2 370.453 3.127 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000459424952 501651511 /nfs/dbraw/zinc/65/15/11/501651511.db2.gz KZKBPFYWXCYFEK-UHFFFAOYSA-N 1 2 356.357 3.044 20 30 FGEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459456829 501656866 /nfs/dbraw/zinc/65/68/66/501656866.db2.gz CKNJBYIHPQENDG-NOZJJQNGSA-N 1 2 370.236 3.000 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc(Cl)c1O ZINC000459479918 501660676 /nfs/dbraw/zinc/66/06/76/501660676.db2.gz NFDXRYUPPFHGTB-UHFFFAOYSA-N 1 2 372.856 3.033 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000459534024 501671263 /nfs/dbraw/zinc/67/12/63/501671263.db2.gz UDVJFWYUMLUXTA-IBGZPJMESA-N 1 2 367.884 3.390 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459551228 501674943 /nfs/dbraw/zinc/67/49/43/501674943.db2.gz RXGHHLWLKNIGMC-KRWDZBQOSA-N 1 2 356.470 3.420 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)ncc1C#N ZINC000457424506 501696184 /nfs/dbraw/zinc/69/61/84/501696184.db2.gz UINVEVMAHSADFK-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3cc(Br)ccc3CO)n2c1 ZINC000467509604 501812110 /nfs/dbraw/zinc/81/21/10/501812110.db2.gz CCQWHEGSQCZULW-UHFFFAOYSA-N 1 2 357.211 3.073 20 30 FGEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602726813 506275207 /nfs/dbraw/zinc/27/52/07/506275207.db2.gz BONRKJVLSCIACJ-ZDUSSCGKSA-N 1 2 372.277 3.193 20 30 FGEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602726813 506275214 /nfs/dbraw/zinc/27/52/14/506275214.db2.gz BONRKJVLSCIACJ-ZDUSSCGKSA-N 1 2 372.277 3.193 20 30 FGEDLO N#CCC[N@H+](CCCOc1cccc2ccccc21)CCN1CCOCC1 ZINC000478038440 501862197 /nfs/dbraw/zinc/86/21/97/501862197.db2.gz VEXQDRMNCKTFEG-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO N#CCC[N@@H+](CCCOc1cccc2ccccc21)CCN1CCOCC1 ZINC000478038440 501862203 /nfs/dbraw/zinc/86/22/03/501862203.db2.gz VEXQDRMNCKTFEG-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO N#CCCN(CCCOc1cccc2ccccc21)CC[NH+]1CCOCC1 ZINC000478038440 501862211 /nfs/dbraw/zinc/86/22/11/501862211.db2.gz VEXQDRMNCKTFEG-UHFFFAOYSA-N 1 2 367.493 3.157 20 30 FGEDLO CSc1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000471010231 501889738 /nfs/dbraw/zinc/88/97/38/501889738.db2.gz WZHNQCCKMQEGRG-UHFFFAOYSA-N 1 2 360.504 3.186 20 30 FGEDLO CSc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000471010231 501889739 /nfs/dbraw/zinc/88/97/39/501889739.db2.gz WZHNQCCKMQEGRG-UHFFFAOYSA-N 1 2 360.504 3.186 20 30 FGEDLO C[N@@H+]1CCN(C(=O)CSc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000481943989 501925670 /nfs/dbraw/zinc/92/56/70/501925670.db2.gz JRTAKPPAFHSRCK-LJQANCHMSA-N 1 2 351.475 3.166 20 30 FGEDLO C[N@H+]1CCN(C(=O)CSc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000481943989 501925674 /nfs/dbraw/zinc/92/56/74/501925674.db2.gz JRTAKPPAFHSRCK-LJQANCHMSA-N 1 2 351.475 3.166 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)OCC ZINC000485784680 501935975 /nfs/dbraw/zinc/93/59/75/501935975.db2.gz KMHDLUKBARHCBS-LNLFQRSKSA-N 1 2 352.425 3.198 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)OCC ZINC000485784680 501935981 /nfs/dbraw/zinc/93/59/81/501935981.db2.gz KMHDLUKBARHCBS-LNLFQRSKSA-N 1 2 352.425 3.198 20 30 FGEDLO N#Cc1ccc(OCc2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)o2)cc1 ZINC000474918269 501989870 /nfs/dbraw/zinc/98/98/70/501989870.db2.gz JUJANNWSKCKFEW-UHFFFAOYSA-N 1 2 372.384 3.308 20 30 FGEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474924408 501992898 /nfs/dbraw/zinc/99/28/98/501992898.db2.gz GRNLWOCVRVPLFK-MRVPVSSYSA-N 1 2 350.150 3.351 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)on2)c1 ZINC000468237962 502001704 /nfs/dbraw/zinc/00/17/04/502001704.db2.gz NOSRTWHPGRLCCF-UHFFFAOYSA-N 1 2 373.416 3.138 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602782924 506296942 /nfs/dbraw/zinc/29/69/42/506296942.db2.gz CBZDRIDCUHGBMX-AWEZNQCLSA-N 1 2 357.483 3.171 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820056 502105412 /nfs/dbraw/zinc/10/54/12/502105412.db2.gz DEFLHEOMPPGSDG-NHCUHLMSSA-N 1 2 365.452 3.256 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820056 502105414 /nfs/dbraw/zinc/10/54/14/502105414.db2.gz DEFLHEOMPPGSDG-NHCUHLMSSA-N 1 2 365.452 3.256 20 30 FGEDLO COc1ccc([C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000461790197 502201789 /nfs/dbraw/zinc/20/17/89/502201789.db2.gz XPJQSORBGMQMSG-FOIQADDNSA-N 1 2 374.444 3.310 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000461958652 502253486 /nfs/dbraw/zinc/25/34/86/502253486.db2.gz NRPKYGGZLMKXOL-ROUUACIJSA-N 1 2 355.486 3.022 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1C ZINC000483340941 502355928 /nfs/dbraw/zinc/35/59/28/502355928.db2.gz LLPPSOVIWZLGTD-NRFANRHFSA-N 1 2 360.498 3.134 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1C ZINC000483340941 502355930 /nfs/dbraw/zinc/35/59/30/502355930.db2.gz LLPPSOVIWZLGTD-NRFANRHFSA-N 1 2 360.498 3.134 20 30 FGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483369006 502364064 /nfs/dbraw/zinc/36/40/64/502364064.db2.gz OIRAXAUBZSMJIT-QAPCUYQASA-N 1 2 353.384 3.327 20 30 FGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483369006 502364067 /nfs/dbraw/zinc/36/40/67/502364067.db2.gz OIRAXAUBZSMJIT-QAPCUYQASA-N 1 2 353.384 3.327 20 30 FGEDLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000483416668 502383644 /nfs/dbraw/zinc/38/36/44/502383644.db2.gz KSRRWGLTCZJGEA-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000483416668 502383647 /nfs/dbraw/zinc/38/36/47/502383647.db2.gz KSRRWGLTCZJGEA-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446306 502421803 /nfs/dbraw/zinc/42/18/03/502421803.db2.gz NCLLTYFECDRLIC-OAHLLOKOSA-N 1 2 361.436 3.452 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c2ccccc21 ZINC000469740389 502525653 /nfs/dbraw/zinc/52/56/53/502525653.db2.gz XMVVJTPFGWFCGC-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c2ccccc21 ZINC000469740389 502525657 /nfs/dbraw/zinc/52/56/57/502525657.db2.gz XMVVJTPFGWFCGC-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@H+](CCOc2cccc(C#N)c2)C3)cc1 ZINC000488038110 502607983 /nfs/dbraw/zinc/60/79/83/502607983.db2.gz YDHSGSQBGLJHQB-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](CCOc2cccc(C#N)c2)C3)cc1 ZINC000488038110 502607986 /nfs/dbraw/zinc/60/79/86/502607986.db2.gz YDHSGSQBGLJHQB-UHFFFAOYSA-N 1 2 358.445 3.490 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000488389172 502701266 /nfs/dbraw/zinc/70/12/66/502701266.db2.gz JCCASLLVLZJNPL-OAHLLOKOSA-N 1 2 362.458 3.485 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C#N)c1C ZINC000463420458 502793554 /nfs/dbraw/zinc/79/35/54/502793554.db2.gz SYYXOOXLWXLSBE-CYBMUJFWSA-N 1 2 365.433 3.348 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C#N)c1C ZINC000463420458 502793559 /nfs/dbraw/zinc/79/35/59/502793559.db2.gz SYYXOOXLWXLSBE-CYBMUJFWSA-N 1 2 365.433 3.348 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3C)CC2)cc1 ZINC000513054679 502840635 /nfs/dbraw/zinc/84/06/35/502840635.db2.gz QNHNIAJJXMFRPZ-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000513113263 502854701 /nfs/dbraw/zinc/85/47/01/502854701.db2.gz LXUGMQNPRPPKFO-POHAHGRESA-N 1 2 354.498 3.357 20 30 FGEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000513195596 502874313 /nfs/dbraw/zinc/87/43/13/502874313.db2.gz DYQOTUKKNZSTPD-UHFFFAOYSA-N 1 2 365.424 3.384 20 30 FGEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000513195596 502874315 /nfs/dbraw/zinc/87/43/15/502874315.db2.gz DYQOTUKKNZSTPD-UHFFFAOYSA-N 1 2 365.424 3.384 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CCCCOc3cccc(C#N)c3)n2)C1 ZINC000500904750 502889419 /nfs/dbraw/zinc/88/94/19/502889419.db2.gz WEYSAYFHHKVUEE-SFHVURJKSA-N 1 2 370.453 3.125 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CCCCOc3cccc(C#N)c3)n2)C1 ZINC000500904750 502889424 /nfs/dbraw/zinc/88/94/24/502889424.db2.gz WEYSAYFHHKVUEE-SFHVURJKSA-N 1 2 370.453 3.125 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889537 506340289 /nfs/dbraw/zinc/34/02/89/506340289.db2.gz WMIRVWRJZZANPB-QUCCMNQESA-N 1 2 372.428 3.205 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889537 506340292 /nfs/dbraw/zinc/34/02/92/506340292.db2.gz WMIRVWRJZZANPB-QUCCMNQESA-N 1 2 372.428 3.205 20 30 FGEDLO N#C[C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CCN1Cc1ccccc1 ZINC000505437948 502904481 /nfs/dbraw/zinc/90/44/81/502904481.db2.gz JVCAWLBZOZRKNI-GOSISDBHSA-N 1 2 365.868 3.198 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000509588686 502942765 /nfs/dbraw/zinc/94/27/65/502942765.db2.gz PUVOMDHARJBOOH-XQRVVYSFSA-N 1 2 366.396 3.441 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc(C#N)cc2Cl)cc1 ZINC000513620103 502982387 /nfs/dbraw/zinc/98/23/87/502982387.db2.gz QIZSGFYCMKZOAT-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO COC(=O)[C@H](c1cccc(OC)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907705 506346194 /nfs/dbraw/zinc/34/61/94/506346194.db2.gz SGRPKCQOFYTYJS-FQEVSTJZSA-N 1 2 365.433 3.056 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1 ZINC000513760443 503018069 /nfs/dbraw/zinc/01/80/69/503018069.db2.gz JAHXTMNZKIAJOK-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1 ZINC000513760443 503018071 /nfs/dbraw/zinc/01/80/71/503018071.db2.gz JAHXTMNZKIAJOK-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000513819625 503029892 /nfs/dbraw/zinc/02/98/92/503029892.db2.gz ADVOOPVBVZUACM-GOSISDBHSA-N 1 2 368.525 3.250 20 30 FGEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912142 506347817 /nfs/dbraw/zinc/34/78/17/506347817.db2.gz KTZBNKPLKYIMJR-ZDUSSCGKSA-N 1 2 370.403 3.438 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602914103 506349906 /nfs/dbraw/zinc/34/99/06/506349906.db2.gz XTUJYIAZBNVDIE-CYBMUJFWSA-N 1 2 370.403 3.438 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000514500404 503132160 /nfs/dbraw/zinc/13/21/60/503132160.db2.gz TWSGOIKBRJBRHD-UHFFFAOYSA-N 1 2 372.428 3.374 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000506686227 503155586 /nfs/dbraw/zinc/15/55/86/503155586.db2.gz CRYNREXPQVFJCM-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)c1 ZINC000506689237 503156595 /nfs/dbraw/zinc/15/65/95/503156595.db2.gz UXLHLFSHESLCIV-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO C[C@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593044686 506356440 /nfs/dbraw/zinc/35/64/40/506356440.db2.gz ADOWPMDFXAUDKH-MRXNPFEDSA-N 1 2 374.531 3.445 20 30 FGEDLO C[C@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593044686 506356447 /nfs/dbraw/zinc/35/64/47/506356447.db2.gz ADOWPMDFXAUDKH-MRXNPFEDSA-N 1 2 374.531 3.445 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1c(C#N)nnc2ccccc21 ZINC000502356967 503186034 /nfs/dbraw/zinc/18/60/34/503186034.db2.gz IUUCICWJTUDKDM-UHFFFAOYSA-N 1 2 354.417 3.383 20 30 FGEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000510900619 503214017 /nfs/dbraw/zinc/21/40/17/503214017.db2.gz DQAPWEAOZDQLRS-HZPDHXFCSA-N 1 2 357.473 3.459 20 30 FGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000510947715 503222817 /nfs/dbraw/zinc/22/28/17/503222817.db2.gz NROKPGQVFCIHLE-LBPRGKRZSA-N 1 2 373.350 3.090 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502548937 503223084 /nfs/dbraw/zinc/22/30/84/503223084.db2.gz QSDSKKIAOMBERB-UHFFFAOYSA-N 1 2 359.297 3.212 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502548937 503223087 /nfs/dbraw/zinc/22/30/87/503223087.db2.gz QSDSKKIAOMBERB-UHFFFAOYSA-N 1 2 359.297 3.212 20 30 FGEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000511089174 503250556 /nfs/dbraw/zinc/25/05/56/503250556.db2.gz JRRWKDQIXGANGJ-UHFFFAOYSA-N 1 2 372.812 3.233 20 30 FGEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000511089174 503250558 /nfs/dbraw/zinc/25/05/58/503250558.db2.gz JRRWKDQIXGANGJ-UHFFFAOYSA-N 1 2 372.812 3.233 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507279709 503267734 /nfs/dbraw/zinc/26/77/34/503267734.db2.gz PDJQPEZYWIFRIP-OAHLLOKOSA-N 1 2 368.868 3.361 20 30 FGEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507277213 503267767 /nfs/dbraw/zinc/26/77/67/503267767.db2.gz IRSSLEIZLSBPBD-KRWDZBQOSA-N 1 2 362.477 3.270 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000515096517 503270779 /nfs/dbraw/zinc/27/07/79/503270779.db2.gz MIVBKQVXMKMXTP-UHFFFAOYSA-N 1 2 374.267 3.253 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1 ZINC000516170420 503461844 /nfs/dbraw/zinc/46/18/44/503461844.db2.gz QHBAPFRYZPMAAR-AWEZNQCLSA-N 1 2 361.352 3.166 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2Cc3cccc(Br)c3C[C@@H]2CC)C1=O ZINC000499716909 503465189 /nfs/dbraw/zinc/46/51/89/503465189.db2.gz BTMLKWCKUMXLOI-WMLDXEAASA-N 1 2 363.299 3.373 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3cccc(Br)c3C[C@@H]2CC)C1=O ZINC000499716909 503465190 /nfs/dbraw/zinc/46/51/90/503465190.db2.gz BTMLKWCKUMXLOI-WMLDXEAASA-N 1 2 363.299 3.373 20 30 FGEDLO CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000508317716 503472986 /nfs/dbraw/zinc/47/29/86/503472986.db2.gz LRIIEQPSAYHLRF-LJQANCHMSA-N 1 2 366.465 3.001 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000512162055 503473134 /nfs/dbraw/zinc/47/31/34/503473134.db2.gz ALFVSMOSTMSXDL-HNNXBMFYSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000512162055 503473139 /nfs/dbraw/zinc/47/31/39/503473139.db2.gz ALFVSMOSTMSXDL-HNNXBMFYSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512164948 503474367 /nfs/dbraw/zinc/47/43/67/503474367.db2.gz JVYFXSCLDQAJAA-JOCHJYFZSA-N 1 2 368.477 3.418 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(CO)o1 ZINC000512164948 503474370 /nfs/dbraw/zinc/47/43/70/503474370.db2.gz JVYFXSCLDQAJAA-JOCHJYFZSA-N 1 2 368.477 3.418 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512198237 503483907 /nfs/dbraw/zinc/48/39/07/503483907.db2.gz VJGGFKLEIHQZJZ-UHFFFAOYSA-N 1 2 370.493 3.371 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512198237 503483912 /nfs/dbraw/zinc/48/39/12/503483912.db2.gz VJGGFKLEIHQZJZ-UHFFFAOYSA-N 1 2 370.493 3.371 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(CO)o1 ZINC000512217306 503488751 /nfs/dbraw/zinc/48/87/51/503488751.db2.gz FNXBLSNWLMKTFD-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(CO)o1 ZINC000512217306 503488754 /nfs/dbraw/zinc/48/87/54/503488754.db2.gz FNXBLSNWLMKTFD-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000512219076 503489652 /nfs/dbraw/zinc/48/96/52/503489652.db2.gz NFELYFVMXDQHNN-AWEZNQCLSA-N 1 2 354.410 3.356 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000512219076 503489659 /nfs/dbraw/zinc/48/96/59/503489659.db2.gz NFELYFVMXDQHNN-AWEZNQCLSA-N 1 2 354.410 3.356 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000512231554 503493032 /nfs/dbraw/zinc/49/30/32/503493032.db2.gz YJMZDSSLEKYOFZ-UHFFFAOYSA-N 1 2 373.501 3.322 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512434042 503549947 /nfs/dbraw/zinc/54/99/47/503549947.db2.gz SGZMRXJOXAYKLO-OAHLLOKOSA-N 1 2 360.429 3.167 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512434042 503549950 /nfs/dbraw/zinc/54/99/50/503549950.db2.gz SGZMRXJOXAYKLO-OAHLLOKOSA-N 1 2 360.429 3.167 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494664318 503587155 /nfs/dbraw/zinc/58/71/55/503587155.db2.gz XRTYAWYXTWPRAY-UKRRQHHQSA-N 1 2 373.522 3.326 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494664318 503587159 /nfs/dbraw/zinc/58/71/59/503587159.db2.gz XRTYAWYXTWPRAY-UKRRQHHQSA-N 1 2 373.522 3.326 20 30 FGEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000494684319 503591195 /nfs/dbraw/zinc/59/11/95/503591195.db2.gz DMRRMIVFTKZOCD-GOSISDBHSA-N 1 2 353.422 3.084 20 30 FGEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000494684319 503591201 /nfs/dbraw/zinc/59/12/01/503591201.db2.gz DMRRMIVFTKZOCD-GOSISDBHSA-N 1 2 353.422 3.084 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C#N ZINC000533080019 503724693 /nfs/dbraw/zinc/72/46/93/503724693.db2.gz XVXNWRSCNWXDPC-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C#N ZINC000533080019 503724700 /nfs/dbraw/zinc/72/47/00/503724700.db2.gz XVXNWRSCNWXDPC-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000533130907 503740170 /nfs/dbraw/zinc/74/01/70/503740170.db2.gz CAEYLRRHMAZJCR-BRWVUGGUSA-N 1 2 370.497 3.452 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000517475145 503752835 /nfs/dbraw/zinc/75/28/35/503752835.db2.gz IBMJMADVDXEIEC-ZDUSSCGKSA-N 1 2 350.353 3.289 20 30 FGEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CCC1 ZINC000527378071 503783429 /nfs/dbraw/zinc/78/34/29/503783429.db2.gz IIMYXISWDDXEJK-UHFFFAOYSA-N 1 2 351.425 3.390 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)CCC1 ZINC000527378071 503783434 /nfs/dbraw/zinc/78/34/34/503783434.db2.gz IIMYXISWDDXEJK-UHFFFAOYSA-N 1 2 351.425 3.390 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000543510867 503798775 /nfs/dbraw/zinc/79/87/75/503798775.db2.gz PKWYMJIFSFRGQH-NEPJUHHUSA-N 1 2 359.455 3.062 20 30 FGEDLO Cn1cc(-c2ncc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510486 503817772 /nfs/dbraw/zinc/81/77/72/503817772.db2.gz ZMAJSFIJTOJBOV-UXHICEINSA-N 1 2 358.449 3.149 20 30 FGEDLO Cn1cc(-c2ncc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cn2)cn1 ZINC000527510486 503817775 /nfs/dbraw/zinc/81/77/75/503817775.db2.gz ZMAJSFIJTOJBOV-UXHICEINSA-N 1 2 358.449 3.149 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000543633533 503835631 /nfs/dbraw/zinc/83/56/31/503835631.db2.gz LWCGPQZTSJGCMN-UHFFFAOYSA-N 1 2 354.385 3.236 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000533440974 503847640 /nfs/dbraw/zinc/84/76/40/503847640.db2.gz UIANXVMMFQUWOO-CMKODMSKSA-N 1 2 357.498 3.438 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H](C)O1 ZINC000533440974 503847645 /nfs/dbraw/zinc/84/76/45/503847645.db2.gz UIANXVMMFQUWOO-CMKODMSKSA-N 1 2 357.498 3.438 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000533607363 503901861 /nfs/dbraw/zinc/90/18/61/503901861.db2.gz YUVUTWKOOVVSSQ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000533607363 503901863 /nfs/dbraw/zinc/90/18/63/503901863.db2.gz YUVUTWKOOVVSSQ-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000543811847 503902611 /nfs/dbraw/zinc/90/26/11/503902611.db2.gz XBIABZYDBDQBIV-UHFFFAOYSA-N 1 2 365.359 3.146 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@]3(CCCCO3)[C@H]1C#N)C2 ZINC000530309189 503919793 /nfs/dbraw/zinc/91/97/93/503919793.db2.gz HTHMZNWHGMOHAN-FQELHTAISA-N 1 2 370.497 3.092 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@]3(CCCCO3)[C@H]1C#N)CC2 ZINC000530309189 503919799 /nfs/dbraw/zinc/91/97/99/503919799.db2.gz HTHMZNWHGMOHAN-FQELHTAISA-N 1 2 370.497 3.092 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540886268 503925351 /nfs/dbraw/zinc/92/53/51/503925351.db2.gz PHVOVBAQPJVKLV-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1C#N ZINC000533776394 503949353 /nfs/dbraw/zinc/94/93/53/503949353.db2.gz RMTRJLXVQSCQKB-QRWLVFNGSA-N 1 2 350.418 3.307 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1C#N ZINC000533776394 503949355 /nfs/dbraw/zinc/94/93/55/503949355.db2.gz RMTRJLXVQSCQKB-QRWLVFNGSA-N 1 2 350.418 3.307 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620024 503978714 /nfs/dbraw/zinc/97/87/14/503978714.db2.gz NXAQYUVSUBGDAK-HKUYNNGSSA-N 1 2 366.465 3.150 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537620024 503978717 /nfs/dbraw/zinc/97/87/17/503978717.db2.gz NXAQYUVSUBGDAK-HKUYNNGSSA-N 1 2 366.465 3.150 20 30 FGEDLO Cc1[nH+]c2ccccn2c1CNc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541066619 503993125 /nfs/dbraw/zinc/99/31/25/503993125.db2.gz LBUGYERSGZRNLZ-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541162638 504027306 /nfs/dbraw/zinc/02/73/06/504027306.db2.gz BOZAQEATVSGARD-XHBKTUGNSA-N 1 2 370.415 3.337 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541162638 504027313 /nfs/dbraw/zinc/02/73/13/504027313.db2.gz BOZAQEATVSGARD-XHBKTUGNSA-N 1 2 370.415 3.337 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530703324 504057674 /nfs/dbraw/zinc/05/76/74/504057674.db2.gz JFQYUMJMEYGCSZ-UHFFFAOYSA-N 1 2 351.328 3.164 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000528351771 504183418 /nfs/dbraw/zinc/18/34/18/504183418.db2.gz AZPFYVUFGKDRFY-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000528351771 504183421 /nfs/dbraw/zinc/18/34/21/504183421.db2.gz AZPFYVUFGKDRFY-AZUAARDMSA-N 1 2 372.852 3.025 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)C2 ZINC000547745870 504209732 /nfs/dbraw/zinc/20/97/32/504209732.db2.gz VRQHSKFQKPIYQX-QGZVFWFLSA-N 1 2 362.477 3.215 20 30 FGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)nc1C ZINC000541691420 504223930 /nfs/dbraw/zinc/22/39/30/504223930.db2.gz ZZJZFXIDAYKOIM-LBPRGKRZSA-N 1 2 359.451 3.359 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528493666 504247139 /nfs/dbraw/zinc/24/71/39/504247139.db2.gz VUTQAERZCBGQGW-HXUWFJFHSA-N 1 2 373.859 3.354 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528513673 504255274 /nfs/dbraw/zinc/25/52/74/504255274.db2.gz DSNOXFBQDGGTDW-QGZVFWFLSA-N 1 2 372.852 3.018 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC2 ZINC000528513673 504255280 /nfs/dbraw/zinc/25/52/80/504255280.db2.gz DSNOXFBQDGGTDW-QGZVFWFLSA-N 1 2 372.852 3.018 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538534595 504276895 /nfs/dbraw/zinc/27/68/95/504276895.db2.gz LLOQUXFKMCLHNE-IRXDYDNUSA-N 1 2 374.909 3.498 20 30 FGEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538534595 504276899 /nfs/dbraw/zinc/27/68/99/504276899.db2.gz LLOQUXFKMCLHNE-IRXDYDNUSA-N 1 2 374.909 3.498 20 30 FGEDLO N#Cc1cccc(N2CCN(c3[nH+]cccc3OCc3ccccc3)CC2)n1 ZINC000544843762 504277168 /nfs/dbraw/zinc/27/71/68/504277168.db2.gz SEZRSKVEJFXPEG-UHFFFAOYSA-N 1 2 371.444 3.254 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000528574090 504278940 /nfs/dbraw/zinc/27/89/40/504278940.db2.gz JEWBUXFTOKOHJY-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO Cc1cccn2c(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)c[nH+]c12 ZINC000541993493 504327550 /nfs/dbraw/zinc/32/75/50/504327550.db2.gz FOXFKSKLWXISCR-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC000535065019 504332338 /nfs/dbraw/zinc/33/23/38/504332338.db2.gz GUPPPYVIKXKPKX-FQEVSTJZSA-N 1 2 373.460 3.031 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788145 504372027 /nfs/dbraw/zinc/37/20/27/504372027.db2.gz MFVSVUAEOGHMHS-CABCVRRESA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788145 504372032 /nfs/dbraw/zinc/37/20/32/504372032.db2.gz MFVSVUAEOGHMHS-CABCVRRESA-N 1 2 372.465 3.479 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C#N ZINC000535219600 504376000 /nfs/dbraw/zinc/37/60/00/504376000.db2.gz MDSXVHCDJGFNGE-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(C(F)(F)F)s3)CCOCC2)cc1 ZINC000528780073 504376893 /nfs/dbraw/zinc/37/68/93/504376893.db2.gz AZSZBJXZIMQNTR-UHFFFAOYSA-N 1 2 368.384 3.224 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4)o3)CCOCC2)cc1 ZINC000528785490 504379341 /nfs/dbraw/zinc/37/93/41/504379341.db2.gz XEJORVUSQVTEQO-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542248232 504422787 /nfs/dbraw/zinc/42/27/87/504422787.db2.gz AGOSZKUKYWRWMP-LBPRGKRZSA-N 1 2 370.316 3.410 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000542248232 504422788 /nfs/dbraw/zinc/42/27/88/504422788.db2.gz AGOSZKUKYWRWMP-LBPRGKRZSA-N 1 2 370.316 3.410 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)n1 ZINC000545503109 504508893 /nfs/dbraw/zinc/50/88/93/504508893.db2.gz TUPLMEVACNNZNA-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccon2)c1C#N ZINC000542656794 504566450 /nfs/dbraw/zinc/56/64/50/504566450.db2.gz VIWATGWVLJAPLH-CYBMUJFWSA-N 1 2 355.442 3.369 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378136 504628073 /nfs/dbraw/zinc/62/80/73/504628073.db2.gz HLFQWEYJRRCOJL-HOTGVXAUSA-N 1 2 371.481 3.329 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378136 504628078 /nfs/dbraw/zinc/62/80/78/504628078.db2.gz HLFQWEYJRRCOJL-HOTGVXAUSA-N 1 2 371.481 3.329 20 30 FGEDLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000546115735 504714958 /nfs/dbraw/zinc/71/49/58/504714958.db2.gz SKAYYEHRNMUAJL-UHFFFAOYSA-N 1 2 369.222 3.207 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187968 504716716 /nfs/dbraw/zinc/71/67/16/504716716.db2.gz ZKDPUQPAADLNCM-SUMWQHHRSA-N 1 2 371.378 3.336 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187968 504716725 /nfs/dbraw/zinc/71/67/25/504716725.db2.gz ZKDPUQPAADLNCM-SUMWQHHRSA-N 1 2 371.378 3.336 20 30 FGEDLO Cc1c(Cl)cnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000543137824 504739322 /nfs/dbraw/zinc/73/93/22/504739322.db2.gz PUAJXUVACXHZGD-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nc1 ZINC000565092588 504791379 /nfs/dbraw/zinc/79/13/79/504791379.db2.gz VJCBPJIEGNPAAA-IBGZPJMESA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccnc(C#N)c4)CC3)n2)cc1 ZINC000552975242 504796973 /nfs/dbraw/zinc/79/69/73/504796973.db2.gz VZLMEVVMXGEEGI-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2ccnc(C#N)c2)c2ccc(Cl)cc2)CCO1 ZINC000553363113 504894489 /nfs/dbraw/zinc/89/44/89/504894489.db2.gz BOMZXDQMNNPMGJ-LJQANCHMSA-N 1 2 370.884 3.293 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2ccnc(C#N)c2)c2ccc(Cl)cc2)CCO1 ZINC000553363113 504894493 /nfs/dbraw/zinc/89/44/93/504894493.db2.gz BOMZXDQMNNPMGJ-LJQANCHMSA-N 1 2 370.884 3.293 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCCCCn3cc[nH+]c3)c2c1 ZINC000553518567 504938928 /nfs/dbraw/zinc/93/89/28/504938928.db2.gz IIQRRIVKDPIAKW-UHFFFAOYSA-N 1 2 351.410 3.212 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCC2)O1 ZINC000565772745 504982510 /nfs/dbraw/zinc/98/25/10/504982510.db2.gz OKJKQWGFEWYVKG-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCC2)O1 ZINC000565772745 504982514 /nfs/dbraw/zinc/98/25/14/504982514.db2.gz OKJKQWGFEWYVKG-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000560121715 504998088 /nfs/dbraw/zinc/99/80/88/504998088.db2.gz OFDXTXUSEAIUJN-UHFFFAOYSA-N 1 2 371.506 3.264 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000551194410 505176108 /nfs/dbraw/zinc/17/61/08/505176108.db2.gz FAZIJQHYSGKWOE-QGZVFWFLSA-N 1 2 352.344 3.089 20 30 FGEDLO C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1ccc(C#N)cc1 ZINC000561113562 505254160 /nfs/dbraw/zinc/25/41/60/505254160.db2.gz LZBDWJXVAIOTLN-BXUZGUMPSA-N 1 2 350.344 3.205 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000567174563 505385418 /nfs/dbraw/zinc/38/54/18/505385418.db2.gz DYSGNOBTOONKIP-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000564422353 505415792 /nfs/dbraw/zinc/41/57/92/505415792.db2.gz PIRDOSNNRJPDKU-FYQPLNBISA-N 1 2 366.465 3.145 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000561782353 505436132 /nfs/dbraw/zinc/43/61/32/505436132.db2.gz UEHNQGXJGLWWRU-MRXNPFEDSA-N 1 2 370.266 3.074 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000561782353 505436135 /nfs/dbraw/zinc/43/61/35/505436135.db2.gz UEHNQGXJGLWWRU-MRXNPFEDSA-N 1 2 370.266 3.074 20 30 FGEDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000567391844 505448910 /nfs/dbraw/zinc/44/89/10/505448910.db2.gz UWSJLPKHOAXNKC-UHFFFAOYSA-N 1 2 356.857 3.348 20 30 FGEDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000567391844 505448912 /nfs/dbraw/zinc/44/89/12/505448912.db2.gz UWSJLPKHOAXNKC-UHFFFAOYSA-N 1 2 356.857 3.348 20 30 FGEDLO COc1ccncc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000561871749 505456528 /nfs/dbraw/zinc/45/65/28/505456528.db2.gz ALLXDJPOCRDTIU-GOSISDBHSA-N 1 2 356.857 3.126 20 30 FGEDLO C=CCn1c(Cc2ccccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558671134 505458743 /nfs/dbraw/zinc/45/87/43/505458743.db2.gz KDHSIGSTLHYRNJ-UHFFFAOYSA-N 1 2 374.492 3.085 20 30 FGEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000567435339 505461040 /nfs/dbraw/zinc/46/10/40/505461040.db2.gz BQVPOVPXYWOODY-QHCPKHFHSA-N 1 2 374.484 3.023 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000552332260 505463632 /nfs/dbraw/zinc/46/36/32/505463632.db2.gz IGSBNGOTFSKUJC-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561928448 505470831 /nfs/dbraw/zinc/47/08/31/505470831.db2.gz ONIQPNNIJADPNZ-CQSZACIVSA-N 1 2 364.287 3.059 20 30 FGEDLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561928448 505470836 /nfs/dbraw/zinc/47/08/36/505470836.db2.gz ONIQPNNIJADPNZ-CQSZACIVSA-N 1 2 364.287 3.059 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000567533535 505490419 /nfs/dbraw/zinc/49/04/19/505490419.db2.gz LLROUEHBDNRZOX-INIZCTEOSA-N 1 2 350.890 3.274 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCOCC1 ZINC000599328240 506415296 /nfs/dbraw/zinc/41/52/96/506415296.db2.gz YJUSPJTUQKDCKL-OAHLLOKOSA-N 1 2 373.884 3.251 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCOCC1 ZINC000599328240 506415299 /nfs/dbraw/zinc/41/52/99/506415299.db2.gz YJUSPJTUQKDCKL-OAHLLOKOSA-N 1 2 373.884 3.251 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000593155788 506428487 /nfs/dbraw/zinc/42/84/87/506428487.db2.gz BWGAZROQVLECTE-HXUWFJFHSA-N 1 2 371.868 3.493 20 30 FGEDLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155541 506429394 /nfs/dbraw/zinc/42/93/94/506429394.db2.gz ZXXWHJZTPJLATM-MEBBXXQBSA-N 1 2 360.310 3.434 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccnc(C#N)c1 ZINC000603134215 506433361 /nfs/dbraw/zinc/43/33/61/506433361.db2.gz LQDFDVMENGGUCD-QGZVFWFLSA-N 1 2 360.421 3.308 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)CC2 ZINC000599380488 506434936 /nfs/dbraw/zinc/43/49/36/506434936.db2.gz QGTISFXRWXNNEK-FZMZJTMJSA-N 1 2 363.248 3.442 20 30 FGEDLO C[C@@](CO)([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(O)c1 ZINC000589163294 506464524 /nfs/dbraw/zinc/46/45/24/506464524.db2.gz PNDQAQGQPGZTPM-KRWDZBQOSA-N 1 2 361.239 3.024 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589166343 506466064 /nfs/dbraw/zinc/46/60/64/506466064.db2.gz HYPBXOIXVIHUGV-KRWDZBQOSA-N 1 2 366.808 3.170 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589282866 506507287 /nfs/dbraw/zinc/50/72/87/506507287.db2.gz GGQMHCHGACBBQI-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1C#N ZINC000599624833 506536940 /nfs/dbraw/zinc/53/69/40/506536940.db2.gz ZKIMNRKWCWQUQT-UHFFFAOYSA-N 1 2 374.444 3.148 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599635327 506541808 /nfs/dbraw/zinc/54/18/08/506541808.db2.gz PMCNJYHHAYJFBU-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC000599635327 506541818 /nfs/dbraw/zinc/54/18/18/506541818.db2.gz PMCNJYHHAYJFBU-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678866 506575428 /nfs/dbraw/zinc/57/54/28/506575428.db2.gz YMPPAPYJSLIWBX-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678866 506575435 /nfs/dbraw/zinc/57/54/35/506575435.db2.gz YMPPAPYJSLIWBX-CQSZACIVSA-N 1 2 364.405 3.046 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000589516142 506576075 /nfs/dbraw/zinc/57/60/75/506576075.db2.gz HFYXHOFLEARFAS-AWEZNQCLSA-N 1 2 350.451 3.179 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000589516142 506576079 /nfs/dbraw/zinc/57/60/79/506576079.db2.gz HFYXHOFLEARFAS-AWEZNQCLSA-N 1 2 350.451 3.179 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2cccc(CC#N)c2)c2ccccc2[nH+]1 ZINC000589589220 506593544 /nfs/dbraw/zinc/59/35/44/506593544.db2.gz UEFAHERPWMVZMM-UHFFFAOYSA-N 1 2 351.431 3.086 20 30 FGEDLO Cn1c2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2[nH+]c1C1CC1 ZINC000589587301 506593606 /nfs/dbraw/zinc/59/36/06/506593606.db2.gz YLXLBRNJKZTPDD-UHFFFAOYSA-N 1 2 366.446 3.318 20 30 FGEDLO Cc1cccc([C@H](CNC(=O)CC2(C#N)CCCCC2)[NH+]2CCOCC2)c1 ZINC000596793826 506603251 /nfs/dbraw/zinc/60/32/51/506603251.db2.gz LWWWUOGBRIJSKX-FQEVSTJZSA-N 1 2 369.509 3.349 20 30 FGEDLO N#CC1(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000593430095 506615176 /nfs/dbraw/zinc/61/51/76/506615176.db2.gz AVQVJDPJIZDBFA-INIZCTEOSA-N 1 2 355.486 3.192 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1 ZINC000596842503 506631218 /nfs/dbraw/zinc/63/12/18/506631218.db2.gz MZXXEZIZTGWGAW-CQSZACIVSA-N 1 2 363.446 3.072 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)s2)cc1 ZINC000596842503 506631223 /nfs/dbraw/zinc/63/12/23/506631223.db2.gz MZXXEZIZTGWGAW-CQSZACIVSA-N 1 2 363.446 3.072 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ncc(C#N)cc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000608886154 506738063 /nfs/dbraw/zinc/73/80/63/506738063.db2.gz ZXAOHJYYMJVALR-BETUJISGSA-N 1 2 357.845 3.227 20 30 FGEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000609296384 506839999 /nfs/dbraw/zinc/83/99/99/506839999.db2.gz MPCQLASGLUVIMC-JOCHJYFZSA-N 1 2 374.488 3.381 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)nn1 ZINC000593974376 506860124 /nfs/dbraw/zinc/86/01/24/506860124.db2.gz AOKZLCGLTYJVAY-SZMVWBNQSA-N 1 2 360.502 3.329 20 30 FGEDLO C=CCCn1cc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)nn1 ZINC000593974376 506860132 /nfs/dbraw/zinc/86/01/32/506860132.db2.gz AOKZLCGLTYJVAY-SZMVWBNQSA-N 1 2 360.502 3.329 20 30 FGEDLO Cc1nc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)sc1SCC#N ZINC000604561657 506875111 /nfs/dbraw/zinc/87/51/11/506875111.db2.gz RVBCZPSCVSNXDC-UHFFFAOYSA-N 1 2 357.464 3.205 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000590601797 506875463 /nfs/dbraw/zinc/87/54/63/506875463.db2.gz QQAGTEJCPKZHJN-HNNXBMFYSA-N 1 2 354.479 3.450 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000590601797 506875468 /nfs/dbraw/zinc/87/54/68/506875468.db2.gz QQAGTEJCPKZHJN-HNNXBMFYSA-N 1 2 354.479 3.450 20 30 FGEDLO COc1cc(C)ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590638847 506893119 /nfs/dbraw/zinc/89/31/19/506893119.db2.gz VWYMHBVWRLMRHF-UHFFFAOYSA-N 1 2 352.438 3.063 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000613102706 506915720 /nfs/dbraw/zinc/91/57/20/506915720.db2.gz AVFKVEFRWGPXAO-MRXNPFEDSA-N 1 2 356.470 3.280 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000590735221 506930318 /nfs/dbraw/zinc/93/03/18/506930318.db2.gz QAKYPKWPWBKURY-KRWDZBQOSA-N 1 2 355.438 3.106 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(F)(c4ccccn4)CC3)o2)c1 ZINC000590737910 506932071 /nfs/dbraw/zinc/93/20/71/506932071.db2.gz PVHACNWPDPMZFJ-UHFFFAOYSA-N 1 2 363.396 3.464 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000609766722 506993597 /nfs/dbraw/zinc/99/35/97/506993597.db2.gz ITYJHYVBCLGGON-UHFFFAOYSA-N 1 2 361.511 3.328 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000609766722 506993603 /nfs/dbraw/zinc/99/36/03/506993603.db2.gz ITYJHYVBCLGGON-UHFFFAOYSA-N 1 2 361.511 3.328 20 30 FGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590959322 507060645 /nfs/dbraw/zinc/06/06/45/507060645.db2.gz XHYCZBAUFJJANY-ZENOOKHLSA-N 1 2 356.495 3.498 20 30 FGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000590961702 507062385 /nfs/dbraw/zinc/06/23/85/507062385.db2.gz IYLOOUQXZCRDAT-SMDDNHRTSA-N 1 2 351.244 3.392 20 30 FGEDLO COc1ccccc1C(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000591010261 507076338 /nfs/dbraw/zinc/07/63/38/507076338.db2.gz CSPWZAHQFPWEPM-UHFFFAOYSA-N 1 2 355.482 3.317 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000594543746 507177652 /nfs/dbraw/zinc/17/76/52/507177652.db2.gz MMZMZDUISKHVLY-CYBMUJFWSA-N 1 2 364.478 3.028 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N4CC(CC#N)C4)c3)cn2c1 ZINC000598033487 507227551 /nfs/dbraw/zinc/22/75/51/507227551.db2.gz JXXSZXWEARYRRY-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601035985 507237277 /nfs/dbraw/zinc/23/72/77/507237277.db2.gz MTYMZGGDCIBTSO-MRXNPFEDSA-N 1 2 351.425 3.411 20 30 FGEDLO N#CC1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CCCCC1 ZINC000594717185 507249650 /nfs/dbraw/zinc/24/96/50/507249650.db2.gz IJGLTKLEALMPNU-CQSZACIVSA-N 1 2 350.260 3.039 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610581651 507303205 /nfs/dbraw/zinc/30/32/05/507303205.db2.gz IFALLRRFBIWJOT-WOJBJXKFSA-N 1 2 350.418 3.236 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610581651 507303208 /nfs/dbraw/zinc/30/32/08/507303208.db2.gz IFALLRRFBIWJOT-WOJBJXKFSA-N 1 2 350.418 3.236 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595092101 507387096 /nfs/dbraw/zinc/38/70/96/507387096.db2.gz WUBQGKVYMMNUIV-QGZVFWFLSA-N 1 2 353.426 3.481 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(O)cc(C#N)c1 ZINC000614300775 507445801 /nfs/dbraw/zinc/44/58/01/507445801.db2.gz RVJHLBPTYBNAHC-UHFFFAOYSA-N 1 2 364.449 3.038 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC000595301838 507455063 /nfs/dbraw/zinc/45/50/63/507455063.db2.gz RDFKMYZMEPLYPY-UHFFFAOYSA-N 1 2 358.348 3.067 20 30 FGEDLO N#Cc1cc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)ncn1 ZINC000584698097 507455735 /nfs/dbraw/zinc/45/57/35/507455735.db2.gz DOCKMEPSTDWGRX-UHFFFAOYSA-N 1 2 366.428 3.294 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000592135859 507500577 /nfs/dbraw/zinc/50/05/77/507500577.db2.gz GSYGSCVRMRPCQU-OAHLLOKOSA-N 1 2 362.882 3.266 20 30 FGEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000592135859 507500580 /nfs/dbraw/zinc/50/05/80/507500580.db2.gz GSYGSCVRMRPCQU-OAHLLOKOSA-N 1 2 362.882 3.266 20 30 FGEDLO N#Cc1cnccc1C[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592145542 507507660 /nfs/dbraw/zinc/50/76/60/507507660.db2.gz VCXRSGJATYFFKF-MRXNPFEDSA-N 1 2 351.328 3.065 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1)[NH+]1CCOCC1 ZINC000611095378 507514523 /nfs/dbraw/zinc/51/45/23/507514523.db2.gz WXBNHSRIHNMWOV-HZPDHXFCSA-N 1 2 356.470 3.236 20 30 FGEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000592160402 507517404 /nfs/dbraw/zinc/51/74/04/507517404.db2.gz SXMPQIYGAWNKDU-UHFFFAOYSA-N 1 2 359.426 3.410 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617473 507519419 /nfs/dbraw/zinc/51/94/19/507519419.db2.gz RXUCEJLJAPEGRC-ZBFHGGJFSA-N 1 2 372.387 3.259 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617473 507519429 /nfs/dbraw/zinc/51/94/29/507519429.db2.gz RXUCEJLJAPEGRC-ZBFHGGJFSA-N 1 2 372.387 3.259 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C#N ZINC000611127290 507526667 /nfs/dbraw/zinc/52/66/67/507526667.db2.gz VVDOEMIJPLNGJH-JOCHJYFZSA-N 1 2 362.429 3.019 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1C#N ZINC000611127290 507526670 /nfs/dbraw/zinc/52/66/70/507526670.db2.gz VVDOEMIJPLNGJH-JOCHJYFZSA-N 1 2 362.429 3.019 20 30 FGEDLO CC(C)n1ncc2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)cnc21 ZINC000595632018 507603436 /nfs/dbraw/zinc/60/34/36/507603436.db2.gz KTPTZOAFUAHKKN-UHFFFAOYSA-N 1 2 366.494 3.268 20 30 FGEDLO N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000602147635 507607842 /nfs/dbraw/zinc/60/78/42/507607842.db2.gz CBKUCAQGXGQKNO-OAHLLOKOSA-N 1 2 363.343 3.461 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602165376 507611574 /nfs/dbraw/zinc/61/15/74/507611574.db2.gz FCIIHQYCPOWDPR-KCPJHIHWSA-N 1 2 362.355 3.473 20 30 FGEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602165376 507611576 /nfs/dbraw/zinc/61/15/76/507611576.db2.gz FCIIHQYCPOWDPR-KCPJHIHWSA-N 1 2 362.355 3.473 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602166028 507612370 /nfs/dbraw/zinc/61/23/70/507612370.db2.gz JAJHFQBRCHWLMW-SWLSCSKDSA-N 1 2 350.344 3.468 20 30 FGEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000595732540 507654224 /nfs/dbraw/zinc/65/42/24/507654224.db2.gz JIMZAZAWJFRUFR-HNNXBMFYSA-N 1 2 362.437 3.128 20 30 FGEDLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000611389189 507657441 /nfs/dbraw/zinc/65/74/41/507657441.db2.gz YGVSITAEPGPCCG-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)C#N ZINC000595811906 507697266 /nfs/dbraw/zinc/69/72/66/507697266.db2.gz HQXOWFOTONESQZ-CQSZACIVSA-N 1 2 367.453 3.181 20 30 FGEDLO CC[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)C#N ZINC000595811906 507697269 /nfs/dbraw/zinc/69/72/69/507697269.db2.gz HQXOWFOTONESQZ-CQSZACIVSA-N 1 2 367.453 3.181 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822105 507700035 /nfs/dbraw/zinc/70/00/35/507700035.db2.gz MMRGFMMMOZHBPT-UHFFFAOYSA-N 1 2 371.506 3.132 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822105 507700038 /nfs/dbraw/zinc/70/00/38/507700038.db2.gz MMRGFMMMOZHBPT-UHFFFAOYSA-N 1 2 371.506 3.132 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801879 606452282 /nfs/dbraw/zinc/45/22/82/606452282.db2.gz PYSPUIYSXIYHGT-IEBWSBKVSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801879 606452283 /nfs/dbraw/zinc/45/22/83/606452283.db2.gz PYSPUIYSXIYHGT-IEBWSBKVSA-N 1 2 362.412 3.278 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCCO1 ZINC000126174404 700744755 /nfs/dbraw/zinc/74/47/55/700744755.db2.gz CJTFWFCOWOPWCA-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCCO1 ZINC000126174404 700744756 /nfs/dbraw/zinc/74/47/56/700744756.db2.gz CJTFWFCOWOPWCA-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000126936372 700754968 /nfs/dbraw/zinc/75/49/68/700754968.db2.gz FLSPPLRPYNTUGZ-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CCOCC1 ZINC000373843447 713876273 /nfs/dbraw/zinc/87/62/73/713876273.db2.gz FPYHBTDWJHLFLQ-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CCOCC1 ZINC000373843447 713876277 /nfs/dbraw/zinc/87/62/77/713876277.db2.gz FPYHBTDWJHLFLQ-SFHVURJKSA-N 1 2 350.409 3.439 20 30 FGEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000779166092 724397198 /nfs/dbraw/zinc/39/71/98/724397198.db2.gz KNJZTPSIBRZGGI-UHFFFAOYSA-N 1 2 355.869 3.065 20 30 FGEDLO C=C1CC(C)(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000632440124 716775058 /nfs/dbraw/zinc/77/50/58/716775058.db2.gz SGNXVWGDSLAFBD-UHFFFAOYSA-N 1 2 362.271 3.420 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)nn1 ZINC000653722077 719081312 /nfs/dbraw/zinc/08/13/12/719081312.db2.gz BKIPXZLXPHQTKU-INIZCTEOSA-N 1 2 354.376 3.086 20 30 FGEDLO C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000657036188 719549292 /nfs/dbraw/zinc/54/92/92/719549292.db2.gz AVXMOTDKJHUHPL-WMZOPIPTSA-N 1 2 359.495 3.345 20 30 FGEDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000782086984 724627679 /nfs/dbraw/zinc/62/76/79/724627679.db2.gz AICYQTJLOONRJG-NSHDSACASA-N 1 2 350.806 3.201 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H](C)COC ZINC000664319612 720624075 /nfs/dbraw/zinc/62/40/75/720624075.db2.gz NRWREYQVSSJWMD-AWEZNQCLSA-N 1 2 352.504 3.184 20 30 FGEDLO C=CCN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H](C)COC ZINC000664976905 720717903 /nfs/dbraw/zinc/71/79/03/720717903.db2.gz PGTWOBXMVNPYAT-CQSZACIVSA-N 1 2 362.861 3.258 20 30 FGEDLO COc1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1C#N ZINC000782949873 724711776 /nfs/dbraw/zinc/71/17/76/724711776.db2.gz PFZRQLCTMFOURV-UHFFFAOYSA-N 1 2 360.211 3.166 20 30 FGEDLO C=C(C)CN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680390148 722112154 /nfs/dbraw/zinc/11/21/54/722112154.db2.gz DGBRLQVQZXXHAW-UHFFFAOYSA-N 1 2 365.275 3.165 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000747669728 722655675 /nfs/dbraw/zinc/65/56/75/722655675.db2.gz PBCNUIKMPOLXBL-NSHDSACASA-N 1 2 367.236 3.122 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799235 722741919 /nfs/dbraw/zinc/74/19/19/722741919.db2.gz VECKDIXQKOEVCV-HUUCEWRRSA-N 1 2 360.483 3.176 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799235 722741920 /nfs/dbraw/zinc/74/19/20/722741920.db2.gz VECKDIXQKOEVCV-HUUCEWRRSA-N 1 2 360.483 3.176 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000755815229 722957340 /nfs/dbraw/zinc/95/73/40/722957340.db2.gz QGRBNLDOJRAXQI-IRXDYDNUSA-N 1 2 356.861 3.028 20 30 FGEDLO C#CCCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000758039013 722983321 /nfs/dbraw/zinc/98/33/21/722983321.db2.gz DFQXEKLIABDVPU-UHFFFAOYSA-N 1 2 353.293 3.484 20 30 FGEDLO C#CCN(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000764676204 723436473 /nfs/dbraw/zinc/43/64/73/723436473.db2.gz GQSKUZIKUFGQJA-KRWDZBQOSA-N 1 2 363.864 3.423 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)s1 ZINC000794697201 723541454 /nfs/dbraw/zinc/54/14/54/723541454.db2.gz KRMXAUPQFCNXLY-KTKRTIGZSA-N 1 2 355.463 3.228 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000765826556 723542968 /nfs/dbraw/zinc/54/29/68/723542968.db2.gz ZAQMTVUMAODLFL-LSDHHAIUSA-N 1 2 351.397 3.473 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000766133906 723557777 /nfs/dbraw/zinc/55/77/77/723557777.db2.gz CPSJYXMYLSXTML-OAHLLOKOSA-N 1 2 362.779 3.378 20 30 FGEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796174592 723624950 /nfs/dbraw/zinc/62/49/50/723624950.db2.gz YWNWJDVLLLEJIX-INIZCTEOSA-N 1 2 365.861 3.343 20 30 FGEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796174592 723624952 /nfs/dbraw/zinc/62/49/52/723624952.db2.gz YWNWJDVLLLEJIX-INIZCTEOSA-N 1 2 365.861 3.343 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)c(Cl)c1 ZINC000769922199 723700983 /nfs/dbraw/zinc/70/09/83/723700983.db2.gz YQSFDVGJPDFNGS-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000769953541 723701947 /nfs/dbraw/zinc/70/19/47/723701947.db2.gz OXYWSDYQPZERGU-QGZVFWFLSA-N 1 2 364.511 3.095 20 30 FGEDLO C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000769953541 723701949 /nfs/dbraw/zinc/70/19/49/723701949.db2.gz OXYWSDYQPZERGU-QGZVFWFLSA-N 1 2 364.511 3.095 20 30 FGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000769962789 723701998 /nfs/dbraw/zinc/70/19/98/723701998.db2.gz KURDGIJPYXPVSR-HIFRSBDPSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000769962789 723701999 /nfs/dbraw/zinc/70/19/99/723701999.db2.gz KURDGIJPYXPVSR-HIFRSBDPSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000769978118 723702283 /nfs/dbraw/zinc/70/22/83/723702283.db2.gz SLCXXSJDJXUBRR-GFCCVEGCSA-N 1 2 360.435 3.077 20 30 FGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000769978118 723702284 /nfs/dbraw/zinc/70/22/84/723702284.db2.gz SLCXXSJDJXUBRR-GFCCVEGCSA-N 1 2 360.435 3.077 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773679074 723813195 /nfs/dbraw/zinc/81/31/95/723813195.db2.gz ZFTKFTFMIJKFOS-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773679074 723813197 /nfs/dbraw/zinc/81/31/97/723813197.db2.gz ZFTKFTFMIJKFOS-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO CCN(CC)c1ccc(C=[NH+]Nc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000776261443 724125421 /nfs/dbraw/zinc/12/54/21/724125421.db2.gz KPJVIGDXGZIWMB-UHFFFAOYSA-N 1 2 361.467 3.088 20 30 FGEDLO FC(F)(F)CCO[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000777455723 724228412 /nfs/dbraw/zinc/22/84/12/724228412.db2.gz KICAVZKSUPMDOU-UHFFFAOYSA-N 1 2 353.344 3.374 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3Br)cc2)N1 ZINC000800815564 724231128 /nfs/dbraw/zinc/23/11/28/724231128.db2.gz FJDPWUXSYLZJBP-GFCCVEGCSA-N 1 2 357.255 3.387 20 30 FGEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC)CC1 ZINC000801987628 724352480 /nfs/dbraw/zinc/35/24/80/724352480.db2.gz QMQWYJKTDWRGTG-UHFFFAOYSA-N 1 2 364.280 3.027 20 30 FGEDLO C=CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787533597 725030949 /nfs/dbraw/zinc/03/09/49/725030949.db2.gz PLDOYBWUVSRKHA-UHFFFAOYSA-N 1 2 366.303 3.496 20 30 FGEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1F ZINC000805774692 725093897 /nfs/dbraw/zinc/09/38/97/725093897.db2.gz QXNSSXLRIMCZJD-MRXNPFEDSA-N 1 2 356.788 3.301 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805785762 725095229 /nfs/dbraw/zinc/09/52/29/725095229.db2.gz OBCVGSDIMRNDPL-RBOXIYTFSA-N 1 2 353.388 3.144 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000789329601 725122372 /nfs/dbraw/zinc/12/23/72/725122372.db2.gz ONRCMHVGYGGLSE-UHFFFAOYSA-N 1 2 359.857 3.353 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000789329601 725122374 /nfs/dbraw/zinc/12/23/74/725122374.db2.gz ONRCMHVGYGGLSE-UHFFFAOYSA-N 1 2 359.857 3.353 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Br)cc2C#N)cc1 ZINC000808252612 725189835 /nfs/dbraw/zinc/18/98/35/725189835.db2.gz VXTACPGULWCREA-UHFFFAOYSA-N 1 2 360.211 3.166 20 30 FGEDLO C[C@H]1CN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2F)C[C@H](C)O1 ZINC000810131805 725291379 /nfs/dbraw/zinc/29/13/79/725291379.db2.gz PHLARTOWPQDESH-STQMWFEESA-N 1 2 360.458 3.057 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(Br)nc2)s1 ZINC000811696312 725377049 /nfs/dbraw/zinc/37/70/49/725377049.db2.gz LRPKMPKKQVFNJC-XQRVVYSFSA-N 1 2 352.257 3.258 20 30 FGEDLO C#CCSCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812969391 726826642 /nfs/dbraw/zinc/82/66/42/726826642.db2.gz SBGLZUIUXIQUFI-UHFFFAOYSA-N 1 2 354.479 3.374 20 30 FGEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000825017560 729367901 /nfs/dbraw/zinc/36/79/01/729367901.db2.gz UQVNDDQJRQYQMJ-SWLSCSKDSA-N 1 2 360.255 3.453 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798799 729513181 /nfs/dbraw/zinc/51/31/81/729513181.db2.gz FHYSVJNWBQGXNW-VHSXEESVSA-N 1 2 360.326 3.444 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000829798799 729513184 /nfs/dbraw/zinc/51/31/84/729513184.db2.gz FHYSVJNWBQGXNW-VHSXEESVSA-N 1 2 360.326 3.444 20 30 FGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H](C)COC ZINC000878889568 736929767 /nfs/dbraw/zinc/92/97/67/736929767.db2.gz BSYRBFNHWMIXEX-NSHDSACASA-N 1 2 366.805 3.321 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H](C)COC ZINC000878889568 736929769 /nfs/dbraw/zinc/92/97/69/736929769.db2.gz BSYRBFNHWMIXEX-NSHDSACASA-N 1 2 366.805 3.321 20 30 FGEDLO CC(C)c1nnc(CO[NH+]=C(N)c2ccc(Br)cc2)s1 ZINC000842039986 730289484 /nfs/dbraw/zinc/28/94/84/730289484.db2.gz PCRBPUCFSOFWBD-UHFFFAOYSA-N 1 2 355.261 3.261 20 30 FGEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845442560 730850327 /nfs/dbraw/zinc/85/03/27/730850327.db2.gz MREKNXAADJMQSN-CMPLNLGQSA-N 1 2 365.220 3.489 20 30 FGEDLO FC(F)Oc1ccc(Br)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848416268 731162049 /nfs/dbraw/zinc/16/20/49/731162049.db2.gz FLXCOEOPUGVLJT-UHFFFAOYSA-N 1 2 373.201 3.261 20 30 FGEDLO COc1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1Br ZINC000848417849 731162064 /nfs/dbraw/zinc/16/20/64/731162064.db2.gz GIIGHWQAQGJYOF-UHFFFAOYSA-N 1 2 351.248 3.058 20 30 FGEDLO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866398890 733343226 /nfs/dbraw/zinc/34/32/26/733343226.db2.gz PMQVLYCQKVEUQW-SNVBAGLBSA-N 1 2 362.227 3.281 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000876649131 736126588 /nfs/dbraw/zinc/12/65/88/736126588.db2.gz NBPPTAYSQLABDJ-UHFFFAOYSA-N 1 2 360.889 3.268 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000877402952 736215547 /nfs/dbraw/zinc/21/55/47/736215547.db2.gz KNKZHMRTJUNDRI-UHFFFAOYSA-N 1 2 359.832 3.315 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000884478512 737667044 /nfs/dbraw/zinc/66/70/44/737667044.db2.gz DOMAXOPJZCECGT-UHFFFAOYSA-N 1 2 350.260 3.159 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cn3c(=O)sc4c3CCCC4)CC2)cc1 ZINC000902590151 743761238 /nfs/dbraw/zinc/76/12/38/743761238.db2.gz RLYKWSBWGJMUAW-UHFFFAOYSA-N 1 2 353.491 3.497 20 30 FGEDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)c1cc(C#N)ccn1 ZINC000902947449 743791543 /nfs/dbraw/zinc/79/15/43/743791543.db2.gz IIIPZPIMGMXGLY-MLGOLLRUSA-N 1 2 360.255 3.490 20 30 FGEDLO CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(C#N)c1O ZINC000925059494 759440411 /nfs/dbraw/zinc/44/04/11/759440411.db2.gz FDAFWZBIIYXTPL-KRWDZBQOSA-N 1 2 357.841 3.388 20 30 FGEDLO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc(C#N)c1O ZINC000925970874 759591257 /nfs/dbraw/zinc/59/12/57/759591257.db2.gz XFIIFHOYBPUXQB-SFHVURJKSA-N 1 2 358.463 3.298 20 30 FGEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000930308404 760576697 /nfs/dbraw/zinc/57/66/97/760576697.db2.gz IRIGJHVITZOISG-UHFFFAOYSA-N 1 2 359.779 3.102 20 30 FGEDLO Cc1csc(C[C@@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000933129397 761324317 /nfs/dbraw/zinc/32/43/17/761324317.db2.gz IYEBHQFXVSWDDN-AWEZNQCLSA-N 1 2 358.467 3.036 20 30 FGEDLO Cc1csc(C[C@@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000933129397 761324323 /nfs/dbraw/zinc/32/43/23/761324323.db2.gz IYEBHQFXVSWDDN-AWEZNQCLSA-N 1 2 358.467 3.036 20 30 FGEDLO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933779007 761472289 /nfs/dbraw/zinc/47/22/89/761472289.db2.gz VMXVOVKBKCIGMZ-UHFFFAOYSA-N 1 2 357.479 3.109 20 30 FGEDLO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933779007 761472294 /nfs/dbraw/zinc/47/22/94/761472294.db2.gz VMXVOVKBKCIGMZ-UHFFFAOYSA-N 1 2 357.479 3.109 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000970447493 762874969 /nfs/dbraw/zinc/87/49/69/762874969.db2.gz QWXWKBATOJSQPH-DWQUBVKVSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC001000707573 765235385 /nfs/dbraw/zinc/23/53/85/765235385.db2.gz HKBQLCYNQVZAHO-MOPGFXCFSA-N 1 2 360.885 3.408 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC001000707573 765235391 /nfs/dbraw/zinc/23/53/91/765235391.db2.gz HKBQLCYNQVZAHO-MOPGFXCFSA-N 1 2 360.885 3.408 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001014466951 765782343 /nfs/dbraw/zinc/78/23/43/765782343.db2.gz DAJJRCCINHKRAB-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001014466951 765782344 /nfs/dbraw/zinc/78/23/44/765782344.db2.gz DAJJRCCINHKRAB-LBTNJELSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001014469118 765783176 /nfs/dbraw/zinc/78/31/76/765783176.db2.gz KZUWQQZQNQFCAR-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001014469118 765783183 /nfs/dbraw/zinc/78/31/83/765783183.db2.gz KZUWQQZQNQFCAR-INMHGKMJSA-N 1 2 366.864 3.151 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014938076 765791584 /nfs/dbraw/zinc/79/15/84/765791584.db2.gz KCCAICXELCSZJG-GBESFXJTSA-N 1 2 351.475 3.114 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014938076 765791589 /nfs/dbraw/zinc/79/15/89/765791589.db2.gz KCCAICXELCSZJG-GBESFXJTSA-N 1 2 351.475 3.114 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001027940436 766105746 /nfs/dbraw/zinc/10/57/46/766105746.db2.gz MYQWWJWHWKLTJL-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001027940436 766105752 /nfs/dbraw/zinc/10/57/52/766105752.db2.gz MYQWWJWHWKLTJL-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001031679550 766183100 /nfs/dbraw/zinc/18/31/00/766183100.db2.gz GCBDAJIGGLBLEP-WBVHZDCISA-N 1 2 366.864 3.008 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001034212790 766232785 /nfs/dbraw/zinc/23/27/85/766232785.db2.gz MWYPOGJJRRDZKL-LUXPAOAYSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001034212790 766232787 /nfs/dbraw/zinc/23/27/87/766232787.db2.gz MWYPOGJJRRDZKL-LUXPAOAYSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001038800758 766289298 /nfs/dbraw/zinc/28/92/98/766289298.db2.gz UZEIJRFFPITCDA-FHWLQOOXSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001038800758 766289304 /nfs/dbraw/zinc/28/93/04/766289304.db2.gz UZEIJRFFPITCDA-FHWLQOOXSA-N 1 2 362.901 3.402 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(CC#N)cc3)cn2c1 ZINC000567951633 505582431 /nfs/dbraw/zinc/58/24/31/505582431.db2.gz FZDSFOCGFSXTEE-UHFFFAOYSA-N 1 2 364.474 3.258 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)cc1 ZINC000567945612 505581203 /nfs/dbraw/zinc/58/12/03/505581203.db2.gz ZPSCJGBWUXXXRC-SFTDATJTSA-N 1 2 351.494 3.419 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000573745010 505609491 /nfs/dbraw/zinc/60/94/91/505609491.db2.gz ZHGQZFRKIFCQMA-UHFFFAOYSA-N 1 2 366.465 3.199 20 30 FGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc4c(c2C#N)CCC4)C3)cc1 ZINC000573835950 505632551 /nfs/dbraw/zinc/63/25/51/505632551.db2.gz AMQATAMITQEFBQ-UHFFFAOYSA-N 1 2 355.445 3.499 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000579921242 505645676 /nfs/dbraw/zinc/64/56/76/505645676.db2.gz XQFRNEMXJSGISN-CYBMUJFWSA-N 1 2 367.293 3.298 20 30 FGEDLO COc1cc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1C#N ZINC000568332939 505667706 /nfs/dbraw/zinc/66/77/06/505667706.db2.gz AKGZAWVUAGDCOA-UHFFFAOYSA-N 1 2 361.405 3.289 20 30 FGEDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000048148006 493792827 /nfs/dbraw/zinc/79/28/27/493792827.db2.gz VRTHFZNEMAKQJK-INIZCTEOSA-N 1 2 364.449 3.273 20 30 FGEDLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(C#N)CC2)n(-c2ccccc2)n1 ZINC000057906845 493814464 /nfs/dbraw/zinc/81/44/64/493814464.db2.gz QXISEJXQEROPSZ-UHFFFAOYSA-N 1 2 365.481 3.344 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000081159519 493840963 /nfs/dbraw/zinc/84/09/63/493840963.db2.gz KNRBTWMDYZXNCA-KRWDZBQOSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000081159519 493840965 /nfs/dbraw/zinc/84/09/65/493840965.db2.gz KNRBTWMDYZXNCA-KRWDZBQOSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000081159517 493841326 /nfs/dbraw/zinc/84/13/26/493841326.db2.gz KNRBTWMDYZXNCA-QGZVFWFLSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000081159517 493841330 /nfs/dbraw/zinc/84/13/30/493841330.db2.gz KNRBTWMDYZXNCA-QGZVFWFLSA-N 1 2 358.486 3.444 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000029851147 493861598 /nfs/dbraw/zinc/86/15/98/493861598.db2.gz JZZVNQYEPLVCQB-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000029851147 493861602 /nfs/dbraw/zinc/86/16/02/493861602.db2.gz JZZVNQYEPLVCQB-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000030003756 493872805 /nfs/dbraw/zinc/87/28/05/493872805.db2.gz KYCXUWUFQATIFC-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000076716340 493957092 /nfs/dbraw/zinc/95/70/92/493957092.db2.gz XARQGUDJWDTHBY-MRXNPFEDSA-N 1 2 370.522 3.430 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069479623 493974843 /nfs/dbraw/zinc/97/48/43/493974843.db2.gz QZXLNIBUONENSJ-UHFFFAOYSA-N 1 2 359.433 3.412 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000052110484 494004968 /nfs/dbraw/zinc/00/49/68/494004968.db2.gz CYYRCOBOBSRUFQ-UHFFFAOYSA-N 1 2 357.816 3.309 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000077165988 494024670 /nfs/dbraw/zinc/02/46/70/494024670.db2.gz HTVCYRCBXFPTMG-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288318 494040111 /nfs/dbraw/zinc/04/01/11/494040111.db2.gz YYPPTXGRHAHWAI-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288318 494040115 /nfs/dbraw/zinc/04/01/15/494040115.db2.gz YYPPTXGRHAHWAI-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(CC)s1)Cc1cccc(C#N)c1 ZINC000063299911 494042185 /nfs/dbraw/zinc/04/21/85/494042185.db2.gz UVDVIKBJUNJTKT-UHFFFAOYSA-N 1 2 353.491 3.487 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(CC)s1)Cc1cccc(C#N)c1 ZINC000063299911 494042187 /nfs/dbraw/zinc/04/21/87/494042187.db2.gz UVDVIKBJUNJTKT-UHFFFAOYSA-N 1 2 353.491 3.487 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000063300935 494042486 /nfs/dbraw/zinc/04/24/86/494042486.db2.gz AGYONFJEVQLOFQ-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000063300935 494042488 /nfs/dbraw/zinc/04/24/88/494042488.db2.gz AGYONFJEVQLOFQ-UHFFFAOYSA-N 1 2 350.378 3.093 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070694860 494048121 /nfs/dbraw/zinc/04/81/21/494048121.db2.gz HRSXBTPNHNEZOO-ZIFCJYIRSA-N 1 2 355.482 3.180 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070694860 494048124 /nfs/dbraw/zinc/04/81/24/494048124.db2.gz HRSXBTPNHNEZOO-ZIFCJYIRSA-N 1 2 355.482 3.180 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638420 494049392 /nfs/dbraw/zinc/04/93/92/494049392.db2.gz QXEBDAVLGYWYKA-FUHWJXTLSA-N 1 2 369.292 3.084 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638420 494049396 /nfs/dbraw/zinc/04/93/96/494049396.db2.gz QXEBDAVLGYWYKA-FUHWJXTLSA-N 1 2 369.292 3.084 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000063401162 494050570 /nfs/dbraw/zinc/05/05/70/494050570.db2.gz DUYHMWSIXTWJAZ-UHFFFAOYSA-N 1 2 359.433 3.146 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(C#N)cc1 ZINC000063754335 494084728 /nfs/dbraw/zinc/08/47/28/494084728.db2.gz NHRBWFYVWXJXOP-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(C#N)cc1 ZINC000063754335 494084732 /nfs/dbraw/zinc/08/47/32/494084732.db2.gz NHRBWFYVWXJXOP-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000036660738 494094430 /nfs/dbraw/zinc/09/44/30/494094430.db2.gz VWHBNOGRBLXCAH-HNNXBMFYSA-N 1 2 362.433 3.190 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(N)cc(C)[nH+]2)cc1 ZINC000071858241 494105373 /nfs/dbraw/zinc/10/53/73/494105373.db2.gz KQLJHGFPEABEQG-CQSZACIVSA-N 1 2 355.467 3.103 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000580198305 505701192 /nfs/dbraw/zinc/70/11/92/505701192.db2.gz YMKSCJMZVCBXTB-QFIPXVFZSA-N 1 2 360.461 3.263 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000072692496 494234879 /nfs/dbraw/zinc/23/48/79/494234879.db2.gz UYTYTCGNJVTBCS-UHFFFAOYSA-N 1 2 371.525 3.113 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000072692496 494234882 /nfs/dbraw/zinc/23/48/82/494234882.db2.gz UYTYTCGNJVTBCS-UHFFFAOYSA-N 1 2 371.525 3.113 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cn1 ZINC000072980863 494298533 /nfs/dbraw/zinc/29/85/33/494298533.db2.gz RHUCFFXEZZUSPH-HNNXBMFYSA-N 1 2 371.510 3.225 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cn1 ZINC000072980863 494298534 /nfs/dbraw/zinc/29/85/34/494298534.db2.gz RHUCFFXEZZUSPH-HNNXBMFYSA-N 1 2 371.510 3.225 20 30 FGEDLO COc1ccccc1[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000574182214 505713590 /nfs/dbraw/zinc/71/35/90/505713590.db2.gz DRGXBMUHWXQZIG-OAQYLSRUSA-N 1 2 369.428 3.489 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066847447 494422628 /nfs/dbraw/zinc/42/26/28/494422628.db2.gz UDMNYKOLQGDRGG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066847447 494422630 /nfs/dbraw/zinc/42/26/30/494422630.db2.gz UDMNYKOLQGDRGG-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532138 494437663 /nfs/dbraw/zinc/43/76/63/494437663.db2.gz PRZBQIPMIJCRIF-UHFFFAOYSA-N 1 2 373.460 3.187 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000045877921 494472083 /nfs/dbraw/zinc/47/20/83/494472083.db2.gz YUUVZWBILDTSAX-UHFFFAOYSA-N 1 2 363.465 3.285 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)c2cccc(SCC#N)c2)c[nH+]1 ZINC000079532246 494473794 /nfs/dbraw/zinc/47/37/94/494473794.db2.gz BXUUBHZBQKJDPK-UHFFFAOYSA-N 1 2 354.479 3.473 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079545813 494477330 /nfs/dbraw/zinc/47/73/30/494477330.db2.gz UOSWUTJKHKERIX-INIZCTEOSA-N 1 2 366.490 3.216 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056787 494520851 /nfs/dbraw/zinc/52/08/51/494520851.db2.gz VWUGHRBOZPKFFB-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091056787 494520855 /nfs/dbraw/zinc/52/08/55/494520855.db2.gz VWUGHRBOZPKFFB-CVEARBPZSA-N 1 2 360.882 3.110 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)Cc2ccccc2)c1C#N ZINC000091072165 494523402 /nfs/dbraw/zinc/52/34/02/494523402.db2.gz CGTAMZRGDMAFEJ-UHFFFAOYSA-N 1 2 360.461 3.437 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCCO)Cc2ccccc2)c1C#N ZINC000091072165 494523404 /nfs/dbraw/zinc/52/34/04/494523404.db2.gz CGTAMZRGDMAFEJ-UHFFFAOYSA-N 1 2 360.461 3.437 20 30 FGEDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)c[nH+]2)CC1 ZINC000079933013 494552041 /nfs/dbraw/zinc/55/20/41/494552041.db2.gz ZEDQXMWARAPCEP-UHFFFAOYSA-N 1 2 352.398 3.105 20 30 FGEDLO N#CCOc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000091211731 494561704 /nfs/dbraw/zinc/56/17/04/494561704.db2.gz IMKHZPKVNDSCAP-JXMROGBWSA-N 1 2 358.401 3.104 20 30 FGEDLO CCCn1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1C ZINC000092596742 494681925 /nfs/dbraw/zinc/68/19/25/494681925.db2.gz INYVDQFDGYQYEH-UHFFFAOYSA-N 1 2 355.461 3.243 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000092596814 494682177 /nfs/dbraw/zinc/68/21/77/494682177.db2.gz PEYWYHIYHOUIRS-UHFFFAOYSA-N 1 2 365.412 3.311 20 30 FGEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000131643463 494684564 /nfs/dbraw/zinc/68/45/64/494684564.db2.gz ONHUVZGZFYUJQN-MOXGXCLJSA-N 1 2 372.490 3.016 20 30 FGEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000131643463 494684573 /nfs/dbraw/zinc/68/45/73/494684573.db2.gz ONHUVZGZFYUJQN-MOXGXCLJSA-N 1 2 372.490 3.016 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387343 494693875 /nfs/dbraw/zinc/69/38/75/494693875.db2.gz BIQQRURUKNLGAP-GOSISDBHSA-N 1 2 373.453 3.143 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108387341 494694462 /nfs/dbraw/zinc/69/44/62/494694462.db2.gz BIQQRURUKNLGAP-SFHVURJKSA-N 1 2 373.453 3.143 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(C)C[C@H](C)C#N)cc3)cn2c1 ZINC000068081818 494755144 /nfs/dbraw/zinc/75/51/44/494755144.db2.gz ZCYQWLHTMYPJPZ-MRXNPFEDSA-N 1 2 362.433 3.453 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000108863095 494796670 /nfs/dbraw/zinc/79/66/70/494796670.db2.gz BDKMGHXQWWNUMB-HXUWFJFHSA-N 1 2 354.429 3.004 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000108863095 494796673 /nfs/dbraw/zinc/79/66/73/494796673.db2.gz BDKMGHXQWWNUMB-HXUWFJFHSA-N 1 2 354.429 3.004 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccco3)C[C@H]3CCCO3)o2)c1 ZINC000075647142 494809243 /nfs/dbraw/zinc/80/92/43/494809243.db2.gz BBJFVJAKURAKOR-GOSISDBHSA-N 1 2 364.405 3.382 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccco3)C[C@H]3CCCO3)o2)c1 ZINC000075647142 494809248 /nfs/dbraw/zinc/80/92/48/494809248.db2.gz BBJFVJAKURAKOR-GOSISDBHSA-N 1 2 364.405 3.382 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)c1 ZINC000027602847 494876959 /nfs/dbraw/zinc/87/69/59/494876959.db2.gz GAKPKWVZXCJVHM-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)c1 ZINC000027602847 494876962 /nfs/dbraw/zinc/87/69/62/494876962.db2.gz GAKPKWVZXCJVHM-UHFFFAOYSA-N 1 2 365.433 3.179 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000132473162 494879755 /nfs/dbraw/zinc/87/97/55/494879755.db2.gz NSJKGBBQVPNJPM-HNNXBMFYSA-N 1 2 354.479 3.404 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000132473162 494879759 /nfs/dbraw/zinc/87/97/59/494879759.db2.gz NSJKGBBQVPNJPM-HNNXBMFYSA-N 1 2 354.479 3.404 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc(OC)c1O ZINC000093457717 494894111 /nfs/dbraw/zinc/89/41/11/494894111.db2.gz ARDXCYZPRQLOTA-FQEVSTJZSA-N 1 2 355.434 3.408 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc(OC)c1O ZINC000093457717 494894114 /nfs/dbraw/zinc/89/41/14/494894114.db2.gz ARDXCYZPRQLOTA-FQEVSTJZSA-N 1 2 355.434 3.408 20 30 FGEDLO Cc1nsc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1C#N ZINC000577545988 505748824 /nfs/dbraw/zinc/74/88/24/505748824.db2.gz OYQAEBDBHBCVOZ-UHFFFAOYSA-N 1 2 356.882 3.150 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132875118 494936545 /nfs/dbraw/zinc/93/65/45/494936545.db2.gz FRAUPCSDZBKMPN-UHFFFAOYSA-N 1 2 369.490 3.452 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3ccsc3C2)cc1 ZINC000132875118 494936551 /nfs/dbraw/zinc/93/65/51/494936551.db2.gz FRAUPCSDZBKMPN-UHFFFAOYSA-N 1 2 369.490 3.452 20 30 FGEDLO CC(C)Oc1cc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)ccn1 ZINC000122399225 494969294 /nfs/dbraw/zinc/96/92/94/494969294.db2.gz HWAVKJHJMZWHGG-UHFFFAOYSA-N 1 2 370.497 3.176 20 30 FGEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)ccn1 ZINC000122399225 494969296 /nfs/dbraw/zinc/96/92/96/494969296.db2.gz HWAVKJHJMZWHGG-UHFFFAOYSA-N 1 2 370.497 3.176 20 30 FGEDLO CCOC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122838270 495038317 /nfs/dbraw/zinc/03/83/17/495038317.db2.gz HBKGBTTZTCEUKB-UHFFFAOYSA-N 1 2 367.449 3.036 20 30 FGEDLO CCOC(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000122838270 495038320 /nfs/dbraw/zinc/03/83/20/495038320.db2.gz HBKGBTTZTCEUKB-UHFFFAOYSA-N 1 2 367.449 3.036 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1C#N ZINC000123009572 495066881 /nfs/dbraw/zinc/06/68/81/495066881.db2.gz PQCLLNARFPFZIJ-GOSISDBHSA-N 1 2 372.513 3.267 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c1C#N ZINC000123009572 495066883 /nfs/dbraw/zinc/06/68/83/495066883.db2.gz PQCLLNARFPFZIJ-GOSISDBHSA-N 1 2 372.513 3.267 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000101554730 495076558 /nfs/dbraw/zinc/07/65/58/495076558.db2.gz OSGFXHSOZMPPKZ-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128397209 495090555 /nfs/dbraw/zinc/09/05/55/495090555.db2.gz YBADNDSHRQTJMC-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128397209 495090557 /nfs/dbraw/zinc/09/05/57/495090557.db2.gz YBADNDSHRQTJMC-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000128652231 495130311 /nfs/dbraw/zinc/13/03/11/495130311.db2.gz FPVGVJNBQOYTND-OAQYLSRUSA-N 1 2 369.424 3.475 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000128652231 495130314 /nfs/dbraw/zinc/13/03/14/495130314.db2.gz FPVGVJNBQOYTND-OAQYLSRUSA-N 1 2 369.424 3.475 20 30 FGEDLO N#CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000123663456 495168622 /nfs/dbraw/zinc/16/86/22/495168622.db2.gz GHFPZJPDJDXTCO-UHFFFAOYSA-N 1 2 351.244 3.346 20 30 FGEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cn2ccccc12 ZINC000112352076 495178808 /nfs/dbraw/zinc/17/88/08/495178808.db2.gz HISKVPHNOQWLBZ-UHFFFAOYSA-N 1 2 364.474 3.221 20 30 FGEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cn2ccccc12 ZINC000112352076 495178814 /nfs/dbraw/zinc/17/88/14/495178814.db2.gz HISKVPHNOQWLBZ-UHFFFAOYSA-N 1 2 364.474 3.221 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103142313 495197814 /nfs/dbraw/zinc/19/78/14/495197814.db2.gz DBPQQFCXDRAKCA-GOSISDBHSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103142313 495197819 /nfs/dbraw/zinc/19/78/19/495197819.db2.gz DBPQQFCXDRAKCA-GOSISDBHSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000123873003 495199537 /nfs/dbraw/zinc/19/95/37/495199537.db2.gz VDWFAKPGPPFACK-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000123873003 495199539 /nfs/dbraw/zinc/19/95/39/495199539.db2.gz VDWFAKPGPPFACK-GOSISDBHSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000123872789 495199795 /nfs/dbraw/zinc/19/97/95/495199795.db2.gz VDWFAKPGPPFACK-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000123872789 495199799 /nfs/dbraw/zinc/19/97/99/495199799.db2.gz VDWFAKPGPPFACK-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO C[C@@H]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124097132 495233942 /nfs/dbraw/zinc/23/39/42/495233942.db2.gz JDOONMMHZBMHOM-QAPCUYQASA-N 1 2 354.479 3.098 20 30 FGEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113001709 495266949 /nfs/dbraw/zinc/26/69/49/495266949.db2.gz UOBJDJFRFVWLEE-MRXNPFEDSA-N 1 2 356.491 3.480 20 30 FGEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113001709 495266950 /nfs/dbraw/zinc/26/69/50/495266950.db2.gz UOBJDJFRFVWLEE-MRXNPFEDSA-N 1 2 356.491 3.480 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000119966122 495278597 /nfs/dbraw/zinc/27/85/97/495278597.db2.gz CHDDPZXFDCZMPV-MRXNPFEDSA-N 1 2 367.478 3.194 20 30 FGEDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000119970427 495279234 /nfs/dbraw/zinc/27/92/34/495279234.db2.gz INDWJMASFDALBR-LJQANCHMSA-N 1 2 363.417 3.387 20 30 FGEDLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ncc(-c3ccc(C#N)cc3)o2)cc1 ZINC000119970427 495279236 /nfs/dbraw/zinc/27/92/36/495279236.db2.gz INDWJMASFDALBR-LJQANCHMSA-N 1 2 363.417 3.387 20 30 FGEDLO C=CCNc1ncc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000136176025 495361975 /nfs/dbraw/zinc/36/19/75/495361975.db2.gz GFECVZIHXLMWPG-UHFFFAOYSA-N 1 2 371.510 3.446 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130920483 495466586 /nfs/dbraw/zinc/46/65/86/495466586.db2.gz PXAMMYWZKACGFP-YOEHRIQHSA-N 1 2 356.401 3.149 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCc2[nH+]ccn2CC(C)C)c1C#N ZINC000130948886 495471477 /nfs/dbraw/zinc/47/14/77/495471477.db2.gz CQGUEGBZYOZHBZ-UHFFFAOYSA-N 1 2 369.494 3.335 20 30 FGEDLO CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1(C#N)CCCCC1 ZINC000130964473 495472839 /nfs/dbraw/zinc/47/28/39/495472839.db2.gz IRPUJGXFYOUIHW-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1(C#N)CCCCC1 ZINC000130964473 495472843 /nfs/dbraw/zinc/47/28/43/495472843.db2.gz IRPUJGXFYOUIHW-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO C[N@H+](Cc1ccc(Br)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532159 495514401 /nfs/dbraw/zinc/51/44/01/495514401.db2.gz ZAPCWOFECKVDMR-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532159 495514403 /nfs/dbraw/zinc/51/44/03/495514403.db2.gz ZAPCWOFECKVDMR-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000179660588 495681471 /nfs/dbraw/zinc/68/14/71/495681471.db2.gz VPSLPIXXNAMDEX-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000179660588 495681474 /nfs/dbraw/zinc/68/14/74/495681474.db2.gz VPSLPIXXNAMDEX-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000150995924 495705706 /nfs/dbraw/zinc/70/57/06/495705706.db2.gz BBHRIIYHACXNGY-HNNXBMFYSA-N 1 2 370.478 3.441 20 30 FGEDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000150995924 495705708 /nfs/dbraw/zinc/70/57/08/495705708.db2.gz BBHRIIYHACXNGY-HNNXBMFYSA-N 1 2 370.478 3.441 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902466 495739373 /nfs/dbraw/zinc/73/93/73/495739373.db2.gz LQFPHDRYNREJLM-JKSUJKDBSA-N 1 2 374.510 3.019 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000154828050 495740461 /nfs/dbraw/zinc/74/04/61/495740461.db2.gz FJYQALAYBBFINE-UHFFFAOYSA-N 1 2 374.444 3.496 20 30 FGEDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 ZINC000179811491 495743401 /nfs/dbraw/zinc/74/34/01/495743401.db2.gz PUVYICPKTIQJSY-INIZCTEOSA-N 1 2 373.844 3.397 20 30 FGEDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000580635732 505803104 /nfs/dbraw/zinc/80/31/04/505803104.db2.gz FJLAMPYUMZTNCE-OAHLLOKOSA-N 1 2 370.478 3.441 20 30 FGEDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000580635732 505803105 /nfs/dbraw/zinc/80/31/05/505803105.db2.gz FJLAMPYUMZTNCE-OAHLLOKOSA-N 1 2 370.478 3.441 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000174157405 495841779 /nfs/dbraw/zinc/84/17/79/495841779.db2.gz XRMXDQBFMYUKLJ-HXUWFJFHSA-N 1 2 371.502 3.441 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000174157405 495841786 /nfs/dbraw/zinc/84/17/86/495841786.db2.gz XRMXDQBFMYUKLJ-HXUWFJFHSA-N 1 2 371.502 3.441 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186067418 495844063 /nfs/dbraw/zinc/84/40/63/495844063.db2.gz PJOGZYVOJYPRFA-UYAOXDASSA-N 1 2 369.509 3.051 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186067418 495844071 /nfs/dbraw/zinc/84/40/71/495844071.db2.gz PJOGZYVOJYPRFA-UYAOXDASSA-N 1 2 369.509 3.051 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174332029 495913576 /nfs/dbraw/zinc/91/35/76/495913576.db2.gz VUMWSAQDJNTONP-KGLIPLIRSA-N 1 2 358.417 3.115 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174332038 495913640 /nfs/dbraw/zinc/91/36/40/495913640.db2.gz VUMWSAQDJNTONP-UONOGXRCSA-N 1 2 358.417 3.115 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000171533709 495917547 /nfs/dbraw/zinc/91/75/47/495917547.db2.gz KBOXQXWYVLOIDM-UHFFFAOYSA-N 1 2 353.426 3.366 20 30 FGEDLO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151714631 495926554 /nfs/dbraw/zinc/92/65/54/495926554.db2.gz WUSHFGKKNLGLIF-YWZLYKJASA-N 1 2 351.450 3.360 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000180364849 495967296 /nfs/dbraw/zinc/96/72/96/495967296.db2.gz GNXTYYJSUFCJKY-HOTGVXAUSA-N 1 2 351.516 3.165 20 30 FGEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)ccc1F ZINC000160483964 495973385 /nfs/dbraw/zinc/97/33/85/495973385.db2.gz KHJNXOXSFBLDJP-UHFFFAOYSA-N 1 2 352.388 3.026 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160554238 495990478 /nfs/dbraw/zinc/99/04/78/495990478.db2.gz DZEZAQUGAOBLTK-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000160554238 495990485 /nfs/dbraw/zinc/99/04/85/495990485.db2.gz DZEZAQUGAOBLTK-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000177262980 495999398 /nfs/dbraw/zinc/99/93/98/495999398.db2.gz FDJNAUIBSJVLOH-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000177262980 495999405 /nfs/dbraw/zinc/99/94/05/495999405.db2.gz FDJNAUIBSJVLOH-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000171871286 496071602 /nfs/dbraw/zinc/07/16/02/496071602.db2.gz REZUTIUNMFHDDK-QGZVFWFLSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000171871286 496071607 /nfs/dbraw/zinc/07/16/07/496071607.db2.gz REZUTIUNMFHDDK-QGZVFWFLSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574676883 505829416 /nfs/dbraw/zinc/82/94/16/505829416.db2.gz QPCVDKFIXOHWRY-INIZCTEOSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574676883 505829419 /nfs/dbraw/zinc/82/94/19/505829419.db2.gz QPCVDKFIXOHWRY-INIZCTEOSA-N 1 2 354.841 3.425 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000571847048 505826941 /nfs/dbraw/zinc/82/69/41/505826941.db2.gz MMCWFBLGMDUBJZ-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO CC(C)c1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926299 496254095 /nfs/dbraw/zinc/25/40/95/496254095.db2.gz NMCSFUBOXXQUOL-UHFFFAOYSA-N 1 2 355.467 3.136 20 30 FGEDLO CC(C)c1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926299 496254098 /nfs/dbraw/zinc/25/40/98/496254098.db2.gz NMCSFUBOXXQUOL-UHFFFAOYSA-N 1 2 355.467 3.136 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c(Br)c1 ZINC000181210345 496313190 /nfs/dbraw/zinc/31/31/90/496313190.db2.gz SDNUDHQAQOETBO-UHFFFAOYSA-N 1 2 358.230 3.094 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(Br)c1 ZINC000181210345 496313191 /nfs/dbraw/zinc/31/31/91/496313191.db2.gz SDNUDHQAQOETBO-UHFFFAOYSA-N 1 2 358.230 3.094 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c[nH]1 ZINC000181290871 496342006 /nfs/dbraw/zinc/34/20/06/496342006.db2.gz BAJVNKNXHQBKFC-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c[nH]1 ZINC000181290871 496342011 /nfs/dbraw/zinc/34/20/11/496342011.db2.gz BAJVNKNXHQBKFC-HNNXBMFYSA-N 1 2 360.820 3.073 20 30 FGEDLO C=CCOc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000156995995 496381297 /nfs/dbraw/zinc/38/12/97/496381297.db2.gz BYPBNCDEPVZTKY-HNNXBMFYSA-N 1 2 355.887 3.056 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000156995995 496381302 /nfs/dbraw/zinc/38/13/02/496381302.db2.gz BYPBNCDEPVZTKY-HNNXBMFYSA-N 1 2 355.887 3.056 20 30 FGEDLO N#CCC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000153256258 496398328 /nfs/dbraw/zinc/39/83/28/496398328.db2.gz PRYYNHKFVVZGFC-NRFANRHFSA-N 1 2 363.461 3.294 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000157192339 496425234 /nfs/dbraw/zinc/42/52/34/496425234.db2.gz MTHDKLSZSPPFTN-MAUKXSAKSA-N 1 2 352.438 3.022 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000184578724 496447995 /nfs/dbraw/zinc/44/79/95/496447995.db2.gz NWBDAIKLXFMAGN-HNNXBMFYSA-N 1 2 373.478 3.397 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C)o1 ZINC000184661339 496483439 /nfs/dbraw/zinc/48/34/39/496483439.db2.gz HPHCIECMKLWFQE-YJBOKZPZSA-N 1 2 373.428 3.340 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1 ZINC000184665084 496484136 /nfs/dbraw/zinc/48/41/36/496484136.db2.gz KZVSTBXYDORWEQ-MLGOLLRUSA-N 1 2 361.829 3.417 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000184807909 496539098 /nfs/dbraw/zinc/53/90/98/496539098.db2.gz DSVJDTHEQFDCJA-LRDDRELGSA-N 1 2 359.426 3.228 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000157808058 496559857 /nfs/dbraw/zinc/55/98/57/496559857.db2.gz KJAANGLWYJJELS-IIBYNOLFSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000157808058 496559862 /nfs/dbraw/zinc/55/98/62/496559862.db2.gz KJAANGLWYJJELS-IIBYNOLFSA-N 1 2 352.434 3.408 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000164089170 496585329 /nfs/dbraw/zinc/58/53/29/496585329.db2.gz VRBIKTQHZWHRLB-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000184960717 496600479 /nfs/dbraw/zinc/60/04/79/496600479.db2.gz DDBUWBMWATYLKI-CQSZACIVSA-N 1 2 370.478 3.114 20 30 FGEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000184960717 496600483 /nfs/dbraw/zinc/60/04/83/496600483.db2.gz DDBUWBMWATYLKI-CQSZACIVSA-N 1 2 370.478 3.114 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCc1cccc2cccnc21 ZINC000153895562 496615950 /nfs/dbraw/zinc/61/59/50/496615950.db2.gz HNEDTOLUXORLQN-UHFFFAOYSA-N 1 2 352.482 3.155 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCc1cccc2cccnc21 ZINC000153895562 496615951 /nfs/dbraw/zinc/61/59/51/496615951.db2.gz HNEDTOLUXORLQN-UHFFFAOYSA-N 1 2 352.482 3.155 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccc(C)c1 ZINC000188247253 496722942 /nfs/dbraw/zinc/72/29/42/496722942.db2.gz VEGKNTXKQYKFHG-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccc(C)c1 ZINC000188247253 496722945 /nfs/dbraw/zinc/72/29/45/496722945.db2.gz VEGKNTXKQYKFHG-INIZCTEOSA-N 1 2 358.511 3.252 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000247035836 496758954 /nfs/dbraw/zinc/75/89/54/496758954.db2.gz IQYXQXOVMJLALY-MOPGFXCFSA-N 1 2 357.450 3.130 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000247035836 496758958 /nfs/dbraw/zinc/75/89/58/496758958.db2.gz IQYXQXOVMJLALY-MOPGFXCFSA-N 1 2 357.450 3.130 20 30 FGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n2)cc1 ZINC000273276859 496761509 /nfs/dbraw/zinc/76/15/09/496761509.db2.gz GAJHETPBLYWXJI-VBKZILBWSA-N 1 2 369.469 3.004 20 30 FGEDLO Cc1ccc2[nH]c([C@H]3CCCN(c4nccc(C#N)c4[N+](=O)[O-])C3)[nH+]c2c1 ZINC000273308422 496770404 /nfs/dbraw/zinc/77/04/04/496770404.db2.gz MZMUUDCOACZUQC-AWEZNQCLSA-N 1 2 362.393 3.430 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000247091180 496776395 /nfs/dbraw/zinc/77/63/95/496776395.db2.gz ULCBQGAKIMONFN-IERDGZPVSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000247091180 496776397 /nfs/dbraw/zinc/77/63/97/496776397.db2.gz ULCBQGAKIMONFN-IERDGZPVSA-N 1 2 352.434 3.408 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976846 496779452 /nfs/dbraw/zinc/77/94/52/496779452.db2.gz XVFGTRWXTTXEHZ-SUMWQHHRSA-N 1 2 366.303 3.496 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976846 496779454 /nfs/dbraw/zinc/77/94/54/496779454.db2.gz XVFGTRWXTTXEHZ-SUMWQHHRSA-N 1 2 366.303 3.496 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191975874 496951573 /nfs/dbraw/zinc/95/15/73/496951573.db2.gz PPYPRWAWTAESAD-UHFFFAOYSA-N 1 2 352.441 3.280 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000189041388 496987788 /nfs/dbraw/zinc/98/77/88/496987788.db2.gz GEKFJFABEKRDHY-CTNGQTDRSA-N 1 2 374.550 3.061 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000265251776 497082133 /nfs/dbraw/zinc/08/21/33/497082133.db2.gz XZARJVMCJNVZRA-CQSZACIVSA-N 1 2 353.401 3.003 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248830358 497113217 /nfs/dbraw/zinc/11/32/17/497113217.db2.gz DYUDSFPQXQXQIJ-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248830358 497113223 /nfs/dbraw/zinc/11/32/23/497113223.db2.gz DYUDSFPQXQXQIJ-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)C(F)(F)F ZINC000189513805 497145242 /nfs/dbraw/zinc/14/52/42/497145242.db2.gz XFIGEGKBNAXKBN-ZDUSSCGKSA-N 1 2 355.278 3.182 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)C(F)(F)F ZINC000189513805 497145247 /nfs/dbraw/zinc/14/52/47/497145247.db2.gz XFIGEGKBNAXKBN-ZDUSSCGKSA-N 1 2 355.278 3.182 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248994552 497147653 /nfs/dbraw/zinc/14/76/53/497147653.db2.gz LTPAYQDOWVRZIG-LSDHHAIUSA-N 1 2 361.436 3.485 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248994552 497147656 /nfs/dbraw/zinc/14/76/56/497147656.db2.gz LTPAYQDOWVRZIG-LSDHHAIUSA-N 1 2 361.436 3.485 20 30 FGEDLO Cc1cn2cc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)ccc2[nH+]1 ZINC000265700724 497163424 /nfs/dbraw/zinc/16/34/24/497163424.db2.gz ILCOHMBPWPUSNZ-UHFFFAOYSA-N 1 2 374.448 3.259 20 30 FGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000278669971 497183986 /nfs/dbraw/zinc/18/39/86/497183986.db2.gz QZPRSZDCUQCXFO-JSGCOSHPSA-N 1 2 352.265 3.443 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000192709121 497191194 /nfs/dbraw/zinc/19/11/94/497191194.db2.gz CBUVRDLLDGULTI-UHFFFAOYSA-N 1 2 366.446 3.435 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249539409 497218551 /nfs/dbraw/zinc/21/85/51/497218551.db2.gz DMEXDPXIBFNWRV-IFXJQAMLSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1C#N ZINC000249539409 497218553 /nfs/dbraw/zinc/21/85/53/497218553.db2.gz DMEXDPXIBFNWRV-IFXJQAMLSA-N 1 2 372.513 3.123 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249739961 497239282 /nfs/dbraw/zinc/23/92/82/497239282.db2.gz HRSXBTPNHNEZOO-ZHALLVOQSA-N 1 2 355.482 3.180 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249739961 497239288 /nfs/dbraw/zinc/23/92/88/497239288.db2.gz HRSXBTPNHNEZOO-ZHALLVOQSA-N 1 2 355.482 3.180 20 30 FGEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000193120021 497307316 /nfs/dbraw/zinc/30/73/16/497307316.db2.gz BMUHOPJWKLWDDH-NRFANRHFSA-N 1 2 374.444 3.313 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266662151 497393672 /nfs/dbraw/zinc/39/36/72/497393672.db2.gz XOIGQGYVCYBWHI-GJZGRUSLSA-N 1 2 372.469 3.209 20 30 FGEDLO N#CCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000245542261 497446749 /nfs/dbraw/zinc/44/67/49/497446749.db2.gz JXYOTEWSNUPETA-HZPDHXFCSA-N 1 2 371.378 3.356 20 30 FGEDLO N#CCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000245542261 497446753 /nfs/dbraw/zinc/44/67/53/497446753.db2.gz JXYOTEWSNUPETA-HZPDHXFCSA-N 1 2 371.378 3.356 20 30 FGEDLO CO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000266982950 497461352 /nfs/dbraw/zinc/46/13/52/497461352.db2.gz BCIUFIVRXJRMHY-OAHLLOKOSA-N 1 2 356.495 3.040 20 30 FGEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000245762920 497532181 /nfs/dbraw/zinc/53/21/81/497532181.db2.gz FPDSWRVPXRECIO-CRAIPNDOSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000245762920 497532188 /nfs/dbraw/zinc/53/21/88/497532188.db2.gz FPDSWRVPXRECIO-CRAIPNDOSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813499 497543149 /nfs/dbraw/zinc/54/31/49/497543149.db2.gz ZVOFGXBDDZIREF-KUHUBIRLSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813499 497543155 /nfs/dbraw/zinc/54/31/55/497543155.db2.gz ZVOFGXBDDZIREF-KUHUBIRLSA-N 1 2 350.397 3.307 20 30 FGEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](c2ccc(F)cc2)O1 ZINC000245813499 497543164 /nfs/dbraw/zinc/54/31/64/497543164.db2.gz ZVOFGXBDDZIREF-KUHUBIRLSA-N 1 2 350.397 3.307 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCC2)O1 ZINC000190984270 497672001 /nfs/dbraw/zinc/67/20/01/497672001.db2.gz IAFAXDSXIACQSL-OAHLLOKOSA-N 1 2 359.495 3.149 20 30 FGEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCC2)O1 ZINC000190984270 497672006 /nfs/dbraw/zinc/67/20/06/497672006.db2.gz IAFAXDSXIACQSL-OAHLLOKOSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191144920 497724065 /nfs/dbraw/zinc/72/40/65/497724065.db2.gz MVTCUPMIYAZASC-QGPPMGRFSA-N 1 2 361.511 3.253 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191144920 497724070 /nfs/dbraw/zinc/72/40/70/497724070.db2.gz MVTCUPMIYAZASC-QGPPMGRFSA-N 1 2 361.511 3.253 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(OCC#N)c1 ZINC000277127972 497749294 /nfs/dbraw/zinc/74/92/94/497749294.db2.gz OFSPDGCNTCIUEK-UHFFFAOYSA-N 1 2 355.442 3.292 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccco2)cc1Cl ZINC000364230958 497850987 /nfs/dbraw/zinc/85/09/87/497850987.db2.gz VPBUQOFPTMPHHQ-INIZCTEOSA-N 1 2 359.813 3.207 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccco2)cc1Cl ZINC000364230958 497850995 /nfs/dbraw/zinc/85/09/95/497850995.db2.gz VPBUQOFPTMPHHQ-INIZCTEOSA-N 1 2 359.813 3.207 20 30 FGEDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000329628656 497851548 /nfs/dbraw/zinc/85/15/48/497851548.db2.gz UUQUFELKLCFYQW-HNAYVOBHSA-N 1 2 351.450 3.496 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCCC1 ZINC000572341850 505946343 /nfs/dbraw/zinc/94/63/43/505946343.db2.gz CYMDTQBQFRISNG-HXUWFJFHSA-N 1 2 367.493 3.183 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCCC1 ZINC000572341850 505946346 /nfs/dbraw/zinc/94/63/46/505946346.db2.gz CYMDTQBQFRISNG-HXUWFJFHSA-N 1 2 367.493 3.183 20 30 FGEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)s1 ZINC000329688455 497870577 /nfs/dbraw/zinc/87/05/77/497870577.db2.gz VLAWMUGJYFRFGB-GFCCVEGCSA-N 1 2 351.520 3.208 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cnc3c(c1)CCCC3)C2 ZINC000329720366 497880147 /nfs/dbraw/zinc/88/01/47/497880147.db2.gz AKQVDCRDTCZQAR-UHFFFAOYSA-N 1 2 353.470 3.421 20 30 FGEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)no1 ZINC000329742070 497885554 /nfs/dbraw/zinc/88/55/54/497885554.db2.gz WIFRVYULQCNCDL-XOBRGWDASA-N 1 2 370.453 3.063 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C ZINC000329798610 497905591 /nfs/dbraw/zinc/90/55/91/497905591.db2.gz XODSPOSVWYYKTI-TZIWHRDSSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1C ZINC000329798610 497905595 /nfs/dbraw/zinc/90/55/95/497905595.db2.gz XODSPOSVWYYKTI-TZIWHRDSSA-N 1 2 369.509 3.440 20 30 FGEDLO O=C(C[NH+]1CCC(Oc2ccccn2)CC1)Nc1nc2c(s1)CCC2 ZINC000329895661 497942011 /nfs/dbraw/zinc/94/20/11/497942011.db2.gz CALHUEWZXVCSDH-UHFFFAOYSA-N 1 2 358.467 3.158 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000301085962 497945721 /nfs/dbraw/zinc/94/57/21/497945721.db2.gz JPCAVXUSAFLCEO-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301098663 497950514 /nfs/dbraw/zinc/95/05/14/497950514.db2.gz WRUOOMZSAFCUBB-LBPRGKRZSA-N 1 2 368.441 3.447 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000301101645 497952129 /nfs/dbraw/zinc/95/21/29/497952129.db2.gz KJUVOKIVGVNDAO-CHWSQXEVSA-N 1 2 358.392 3.457 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)c1 ZINC000329918334 497952959 /nfs/dbraw/zinc/95/29/59/497952959.db2.gz RDHZFDUBDOGVAF-SJLPKXTDSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCN(C)[C@@H](c3nccn3C)C2)c1 ZINC000329918334 497952966 /nfs/dbraw/zinc/95/29/66/497952966.db2.gz RDHZFDUBDOGVAF-SJLPKXTDSA-N 1 2 355.486 3.002 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CC=CCC1 ZINC000329935203 497959181 /nfs/dbraw/zinc/95/91/81/497959181.db2.gz KGMDGPJQAZLXKH-ULQDDVLXSA-N 1 2 364.465 3.064 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CC=CCC1 ZINC000329935203 497959186 /nfs/dbraw/zinc/95/91/86/497959186.db2.gz KGMDGPJQAZLXKH-ULQDDVLXSA-N 1 2 364.465 3.064 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1CCC(NC(=O)C3CC3)CC1)C2 ZINC000330002888 497986511 /nfs/dbraw/zinc/98/65/11/497986511.db2.gz BIVFWINLYXQXFP-UHFFFAOYSA-N 1 2 372.513 3.354 20 30 FGEDLO C[C@@H]1N(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOC1(C)C ZINC000330062230 498008614 /nfs/dbraw/zinc/00/86/14/498008614.db2.gz PCCVMZCSRGDBEG-ZDUSSCGKSA-N 1 2 352.504 3.174 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC000330065472 498009513 /nfs/dbraw/zinc/00/95/13/498009513.db2.gz RZZJACJFPOTVES-SOHDHNSJSA-N 1 2 364.493 3.337 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)C2 ZINC000330065472 498009521 /nfs/dbraw/zinc/00/95/21/498009521.db2.gz RZZJACJFPOTVES-SOHDHNSJSA-N 1 2 364.493 3.337 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099512 498019849 /nfs/dbraw/zinc/01/98/49/498019849.db2.gz DCTPMARYELZCEX-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099512 498019854 /nfs/dbraw/zinc/01/98/54/498019854.db2.gz DCTPMARYELZCEX-DOXZYTNZSA-N 1 2 350.434 3.381 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(C#N)ccc1Cl ZINC000285199588 498020587 /nfs/dbraw/zinc/02/05/87/498020587.db2.gz FFOZJTVJJABXEA-UHFFFAOYSA-N 1 2 356.735 3.243 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1Cl ZINC000581344215 505965667 /nfs/dbraw/zinc/96/56/67/505965667.db2.gz NCSOLPFANFFHHA-UHFFFAOYSA-N 1 2 367.836 3.403 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1Cl ZINC000581344215 505965669 /nfs/dbraw/zinc/96/56/69/505965669.db2.gz NCSOLPFANFFHHA-UHFFFAOYSA-N 1 2 367.836 3.403 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C4CC4)C3)n2)C1 ZINC000330133016 498034702 /nfs/dbraw/zinc/03/47/02/498034702.db2.gz LTNOTZCJQGSHKZ-CZUORRHYSA-N 1 2 364.515 3.031 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C4CC4)C3)n2)C1 ZINC000330133016 498034706 /nfs/dbraw/zinc/03/47/06/498034706.db2.gz LTNOTZCJQGSHKZ-CZUORRHYSA-N 1 2 364.515 3.031 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330143657 498037322 /nfs/dbraw/zinc/03/73/22/498037322.db2.gz ZBDLJQGZKUTYLK-PXAZEXFGSA-N 1 2 356.825 3.337 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330143657 498037327 /nfs/dbraw/zinc/03/73/27/498037327.db2.gz ZBDLJQGZKUTYLK-PXAZEXFGSA-N 1 2 356.825 3.337 20 30 FGEDLO CC(C)(CNC(=O)N[C@H]1CCCc2cn[nH]c21)[N@@H+]1CCc2ccccc2C1 ZINC000330154702 498042033 /nfs/dbraw/zinc/04/20/33/498042033.db2.gz NQVBAYMWYMRWHM-SFHVURJKSA-N 1 2 367.497 3.128 20 30 FGEDLO CC(C)(CNC(=O)N[C@H]1CCCc2cn[nH]c21)[N@H+]1CCc2ccccc2C1 ZINC000330154702 498042039 /nfs/dbraw/zinc/04/20/39/498042039.db2.gz NQVBAYMWYMRWHM-SFHVURJKSA-N 1 2 367.497 3.128 20 30 FGEDLO [O-]C(N[C@H]1CCCOc2cc(Cl)ccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199825 498059853 /nfs/dbraw/zinc/05/98/53/498059853.db2.gz VYBRGXCUVZQIER-HIFRSBDPSA-N 1 2 360.845 3.269 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 ZINC000330219425 498067733 /nfs/dbraw/zinc/06/77/33/498067733.db2.gz PNKIHBOETMYINU-ZDUSSCGKSA-N 1 2 360.449 3.047 20 30 FGEDLO C#CCOCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000292624109 498084274 /nfs/dbraw/zinc/08/42/74/498084274.db2.gz HZXYVSJUAQGLSF-UHFFFAOYSA-N 1 2 362.886 3.216 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296563153 498097047 /nfs/dbraw/zinc/09/70/47/498097047.db2.gz HWENPWHKJYZUAN-ROUUACIJSA-N 1 2 350.466 3.147 20 30 FGEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1c(F)cncc1F ZINC000285584868 498137078 /nfs/dbraw/zinc/13/70/78/498137078.db2.gz IJHPCGWGEVAKLL-PXAZEXFGSA-N 1 2 356.376 3.078 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000330526282 498147353 /nfs/dbraw/zinc/14/73/53/498147353.db2.gz KGIJAQSGDFITDM-SECBINFHSA-N 1 2 358.286 3.134 20 30 FGEDLO Cc1nc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c(Cl)cc1C#N ZINC000292824370 498160173 /nfs/dbraw/zinc/16/01/73/498160173.db2.gz ZZXLEHVYCNYLGM-UHFFFAOYSA-N 1 2 369.856 3.360 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000364856721 498176432 /nfs/dbraw/zinc/17/64/32/498176432.db2.gz AIROJAZRZYWASJ-HNNXBMFYSA-N 1 2 358.401 3.361 20 30 FGEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000364856721 498176441 /nfs/dbraw/zinc/17/64/41/498176441.db2.gz AIROJAZRZYWASJ-HNNXBMFYSA-N 1 2 358.401 3.361 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000578664370 505992656 /nfs/dbraw/zinc/99/26/56/505992656.db2.gz KXTDQEYXZVEIHJ-AZUAARDMSA-N 1 2 371.506 3.297 20 30 FGEDLO Cc1cc(NC(=O)NC[C@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@H]1C ZINC000330774420 498191416 /nfs/dbraw/zinc/19/14/16/498191416.db2.gz GSBPETZESWXXBU-YPMHNXCESA-N 1 2 360.380 3.018 20 30 FGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000330800871 498197119 /nfs/dbraw/zinc/19/71/19/498197119.db2.gz AEJOIYKBALEUPQ-CABZTGNLSA-N 1 2 356.651 3.323 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301654444 498208728 /nfs/dbraw/zinc/20/87/28/498208728.db2.gz KTNNWKQLDYMQHQ-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301654444 498208732 /nfs/dbraw/zinc/20/87/32/498208732.db2.gz KTNNWKQLDYMQHQ-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000289652542 498233025 /nfs/dbraw/zinc/23/30/25/498233025.db2.gz CHVTYKWKNDFSNN-GOSISDBHSA-N 1 2 362.437 3.492 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000289652542 498233032 /nfs/dbraw/zinc/23/30/32/498233032.db2.gz CHVTYKWKNDFSNN-GOSISDBHSA-N 1 2 362.437 3.492 20 30 FGEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1C#N ZINC000289681274 498246099 /nfs/dbraw/zinc/24/60/99/498246099.db2.gz FADJJDPTXGSQQT-CYBMUJFWSA-N 1 2 353.348 3.112 20 30 FGEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1C#N ZINC000289681274 498246107 /nfs/dbraw/zinc/24/61/07/498246107.db2.gz FADJJDPTXGSQQT-CYBMUJFWSA-N 1 2 353.348 3.112 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000281794556 498271457 /nfs/dbraw/zinc/27/14/57/498271457.db2.gz MHDLGNCSNPXARW-GOSISDBHSA-N 1 2 352.438 3.102 20 30 FGEDLO CC(C)c1cc(N2CCN(c3ncccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301804331 498272341 /nfs/dbraw/zinc/27/23/41/498272341.db2.gz DLFQRRVCSYFWMP-UHFFFAOYSA-N 1 2 350.470 3.317 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3ccc4cc(C#N)ccc4n3)c[nH+]2)CCO1 ZINC000301825656 498281697 /nfs/dbraw/zinc/28/16/97/498281697.db2.gz ONLGFORACLEZKP-HNNXBMFYSA-N 1 2 359.433 3.339 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)ccc1OC ZINC000578755287 506013441 /nfs/dbraw/zinc/01/34/41/506013441.db2.gz APHJJLSBKYPRNT-ICKUNSISSA-N 1 2 351.512 3.382 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)ccc1OC ZINC000578755287 506013445 /nfs/dbraw/zinc/01/34/45/506013445.db2.gz APHJJLSBKYPRNT-ICKUNSISSA-N 1 2 351.512 3.382 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301894262 498315312 /nfs/dbraw/zinc/31/53/12/498315312.db2.gz SUVBOCKCWFMLCS-UHFFFAOYSA-N 1 2 354.417 3.309 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3nc(N)c4ccccc4[nH+]3)C2)c(F)c1 ZINC000301901482 498319305 /nfs/dbraw/zinc/31/93/05/498319305.db2.gz NIXWCCZTFMNEAS-CQSZACIVSA-N 1 2 362.412 3.304 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCC3CCC(C#N)CC3)c[nH+]2)CC1 ZINC000282028157 498363287 /nfs/dbraw/zinc/36/32/87/498363287.db2.gz ZAHOWIJSIWPTGZ-UHFFFAOYSA-N 1 2 369.513 3.447 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000293390827 498368709 /nfs/dbraw/zinc/36/87/09/498368709.db2.gz KQOXWRKOAPOLGG-INIZCTEOSA-N 1 2 354.454 3.313 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000293390827 498368713 /nfs/dbraw/zinc/36/87/13/498368713.db2.gz KQOXWRKOAPOLGG-INIZCTEOSA-N 1 2 354.454 3.313 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282164275 498408149 /nfs/dbraw/zinc/40/81/49/498408149.db2.gz CILQEFNEZJSBPH-IBGZPJMESA-N 1 2 374.448 3.328 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(F)ccc2C#N)CC1 ZINC000581643973 506035371 /nfs/dbraw/zinc/03/53/71/506035371.db2.gz WEHZXFSCXVLSME-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(F)ccc2C#N)CC1 ZINC000581643973 506035372 /nfs/dbraw/zinc/03/53/72/506035372.db2.gz WEHZXFSCXVLSME-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO C[C@@](O)(C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1)C(F)(F)F ZINC000575966377 506044528 /nfs/dbraw/zinc/04/45/28/506044528.db2.gz LIAYOJZJMXGDBS-QGZVFWFLSA-N 1 2 351.372 3.336 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1OC ZINC000572764289 506046416 /nfs/dbraw/zinc/04/64/16/506046416.db2.gz PCRNHYFCWQNWIR-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1OC ZINC000572764289 506046420 /nfs/dbraw/zinc/04/64/20/506046420.db2.gz PCRNHYFCWQNWIR-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000282447470 498517365 /nfs/dbraw/zinc/51/73/65/498517365.db2.gz ZZRZLKTYRROWCF-GJZGRUSLSA-N 1 2 360.531 3.317 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000569936999 506052252 /nfs/dbraw/zinc/05/22/52/506052252.db2.gz FLEQYGGAUYVEAZ-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000282632585 498588368 /nfs/dbraw/zinc/58/83/68/498588368.db2.gz HWSATUSGILNAIB-UHFFFAOYSA-N 1 2 365.481 3.255 20 30 FGEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000303211267 498656204 /nfs/dbraw/zinc/65/62/04/498656204.db2.gz OTWVIOSWDXUUNU-UHFFFAOYSA-N 1 2 374.916 3.029 20 30 FGEDLO CS[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332534795 498716402 /nfs/dbraw/zinc/71/64/02/498716402.db2.gz HZMYEZLQEFQBLI-MOPGFXCFSA-N 1 2 372.538 3.060 20 30 FGEDLO C=CCOc1ccc(CC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000294634059 498756734 /nfs/dbraw/zinc/75/67/34/498756734.db2.gz QAZJURPRLFVYHV-UHFFFAOYSA-N 1 2 367.371 3.211 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000366106752 498779078 /nfs/dbraw/zinc/77/90/78/498779078.db2.gz FKDPTQFJIXMINS-SJLPKXTDSA-N 1 2 370.522 3.152 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000366106752 498779081 /nfs/dbraw/zinc/77/90/81/498779081.db2.gz FKDPTQFJIXMINS-SJLPKXTDSA-N 1 2 370.522 3.152 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCc3cccc(C#N)c3)c[nH+]2)CC1 ZINC000298609110 498828796 /nfs/dbraw/zinc/82/87/96/498828796.db2.gz QVRZZBHGXVKXJC-UHFFFAOYSA-N 1 2 363.465 3.189 20 30 FGEDLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000294984313 498870827 /nfs/dbraw/zinc/87/08/27/498870827.db2.gz OSVPJDJBDMMXGM-BLLLJJGKSA-N 1 2 373.254 3.241 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000579156569 506105596 /nfs/dbraw/zinc/10/55/96/506105596.db2.gz KQCZOOGRZYFMPF-HNNXBMFYSA-N 1 2 362.433 3.417 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000579156569 506105598 /nfs/dbraw/zinc/10/55/98/506105598.db2.gz KQCZOOGRZYFMPF-HNNXBMFYSA-N 1 2 362.433 3.417 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000298789688 498879503 /nfs/dbraw/zinc/87/95/03/498879503.db2.gz QVSXQIBPLSXIJF-BXUZGUMPSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000298789688 498879508 /nfs/dbraw/zinc/87/95/08/498879508.db2.gz QVSXQIBPLSXIJF-BXUZGUMPSA-N 1 2 373.844 3.110 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1ccc(C#N)cc1 ZINC000328655404 498892156 /nfs/dbraw/zinc/89/21/56/498892156.db2.gz YISIQCSEUSWGMU-IRXDYDNUSA-N 1 2 357.454 3.304 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1ccc(C#N)cc1 ZINC000328655404 498892159 /nfs/dbraw/zinc/89/21/59/498892159.db2.gz YISIQCSEUSWGMU-IRXDYDNUSA-N 1 2 357.454 3.304 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000328704383 498907192 /nfs/dbraw/zinc/90/71/92/498907192.db2.gz KNWHSJAHXXIRFV-ROUUACIJSA-N 1 2 354.454 3.056 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000328704384 498907733 /nfs/dbraw/zinc/90/77/33/498907733.db2.gz KNWHSJAHXXIRFV-ZWKOTPCHSA-N 1 2 354.454 3.056 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC000328758344 498929232 /nfs/dbraw/zinc/92/92/32/498929232.db2.gz VVNMIHCCGAEXMK-CQSZACIVSA-N 1 2 364.453 3.285 20 30 FGEDLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328770007 498932448 /nfs/dbraw/zinc/93/24/48/498932448.db2.gz IUQGDNICKWSDTA-KBXCAEBGSA-N 1 2 373.888 3.357 20 30 FGEDLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328770007 498932456 /nfs/dbraw/zinc/93/24/56/498932456.db2.gz IUQGDNICKWSDTA-KBXCAEBGSA-N 1 2 373.888 3.357 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C12CCCCC2 ZINC000328773785 498934441 /nfs/dbraw/zinc/93/44/41/498934441.db2.gz BQTXKPAPMQPFFN-YESZJQIVSA-N 1 2 360.502 3.251 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN1C(=O)CCc3ccccc31)CCC2 ZINC000328865243 498965998 /nfs/dbraw/zinc/96/59/98/498965998.db2.gz ZNLSYYLGPGFGRG-INIZCTEOSA-N 1 2 352.438 3.005 20 30 FGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NCCOc1ccc(Cl)cc1 ZINC000328913385 498983467 /nfs/dbraw/zinc/98/34/67/498983467.db2.gz IBFDNQYLNMYTIJ-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO O=C(C[N@H+]1CCOCC12CCCC2)NCCOc1ccc(Cl)cc1 ZINC000328913385 498983475 /nfs/dbraw/zinc/98/34/75/498983475.db2.gz IBFDNQYLNMYTIJ-UHFFFAOYSA-N 1 2 352.862 3.320 20 30 FGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NCC1(c2ccccc2)CCOCC1 ZINC000328923358 498986862 /nfs/dbraw/zinc/98/68/62/498986862.db2.gz NCDLNHNXNCXZKX-UHFFFAOYSA-N 1 2 372.509 3.336 20 30 FGEDLO O=C(C[N@H+]1CCOCC12CCCC2)NCC1(c2ccccc2)CCOCC1 ZINC000328923358 498986867 /nfs/dbraw/zinc/98/68/67/498986867.db2.gz NCDLNHNXNCXZKX-UHFFFAOYSA-N 1 2 372.509 3.336 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3nccc(C)n3)CC2)c(C#N)c1C ZINC000363799109 498998357 /nfs/dbraw/zinc/99/83/57/498998357.db2.gz PTYDBXSISSXFDR-UHFFFAOYSA-N 1 2 369.494 3.153 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329040033 499022924 /nfs/dbraw/zinc/02/29/24/499022924.db2.gz DDVIAZJJGUUPMX-JOCHJYFZSA-N 1 2 372.509 3.336 20 30 FGEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329040033 499022929 /nfs/dbraw/zinc/02/29/29/499022929.db2.gz DDVIAZJJGUUPMX-JOCHJYFZSA-N 1 2 372.509 3.336 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000366671863 499028223 /nfs/dbraw/zinc/02/82/23/499028223.db2.gz JZIRAKIIHJACMG-OALUTQOASA-N 1 2 371.387 3.446 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000366671863 499028229 /nfs/dbraw/zinc/02/82/29/499028229.db2.gz JZIRAKIIHJACMG-OALUTQOASA-N 1 2 371.387 3.446 20 30 FGEDLO CCCCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000299469029 499068533 /nfs/dbraw/zinc/06/85/33/499068533.db2.gz FYOYFYXXEVOFGP-INIZCTEOSA-N 1 2 370.497 3.046 20 30 FGEDLO C=CCc1cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc(OC)c1OC ZINC000295803039 499104461 /nfs/dbraw/zinc/10/44/61/499104461.db2.gz GGBPAPGSPPRGIA-SFHVURJKSA-N 1 2 369.465 3.389 20 30 FGEDLO Cc1cc(NC(=O)N[C@H]2CCCCNC2=O)c[nH+]c1N1CCCC[C@H]1C ZINC000329396172 499115104 /nfs/dbraw/zinc/11/51/04/499115104.db2.gz VZPHPGPKQFOTGI-ZBFHGGJFSA-N 1 2 359.474 3.413 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329423869 499118662 /nfs/dbraw/zinc/11/86/62/499118662.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329423869 499118665 /nfs/dbraw/zinc/11/86/65/499118665.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329423869 499118666 /nfs/dbraw/zinc/11/86/66/499118666.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329423869 499118669 /nfs/dbraw/zinc/11/86/69/499118669.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000329423869 499118671 /nfs/dbraw/zinc/11/86/71/499118671.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000329423869 499118674 /nfs/dbraw/zinc/11/86/74/499118674.db2.gz GGWCIKHFSGJHMO-ZFWWWQNUSA-N 1 2 357.458 3.286 20 30 FGEDLO CCOC1CC2(C1)CCN(C([O-])=[NH+][C@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)C2 ZINC000329460242 499124892 /nfs/dbraw/zinc/12/48/92/499124892.db2.gz SAMOBZGNUHVECA-FQWCMUAHSA-N 1 2 374.529 3.300 20 30 FGEDLO C[C@@H]1CC(CNC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H](C)O1 ZINC000329464062 499125373 /nfs/dbraw/zinc/12/53/73/499125373.db2.gz QXYVAZDADGSULY-IIAWOOMASA-N 1 2 362.518 3.203 20 30 FGEDLO C[C@@H]1CC(C[NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H](C)O1 ZINC000329464062 499125376 /nfs/dbraw/zinc/12/53/76/499125376.db2.gz QXYVAZDADGSULY-IIAWOOMASA-N 1 2 362.518 3.203 20 30 FGEDLO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329534927 499129437 /nfs/dbraw/zinc/12/94/37/499129437.db2.gz LAODKUFVHITNIA-CVEARBPZSA-N 1 2 350.846 3.373 20 30 FGEDLO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329534927 499129438 /nfs/dbraw/zinc/12/94/38/499129438.db2.gz LAODKUFVHITNIA-CVEARBPZSA-N 1 2 350.846 3.373 20 30 FGEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058834 499141726 /nfs/dbraw/zinc/14/17/26/499141726.db2.gz YFQYFEPOVVDLII-UHFFFAOYSA-N 1 2 352.394 3.056 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000370191216 499195306 /nfs/dbraw/zinc/19/53/06/499195306.db2.gz COUFYPAZECOQAI-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)cc1 ZINC000370191216 499195310 /nfs/dbraw/zinc/19/53/10/499195310.db2.gz COUFYPAZECOQAI-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@]2(C#N)CCc3ccccc3C2)c1C ZINC000367694581 499225203 /nfs/dbraw/zinc/22/52/03/499225203.db2.gz UHTLBMUYVIAIAN-QFIPXVFZSA-N 1 2 363.461 3.364 20 30 FGEDLO CC(C)(C)c1ncc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458579 499329264 /nfs/dbraw/zinc/32/92/64/499329264.db2.gz LENCICAMMPXOHR-RBZFPXEDSA-N 1 2 366.490 3.286 20 30 FGEDLO CC(C)(C)c1ncc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458579 499329265 /nfs/dbraw/zinc/32/92/65/499329265.db2.gz LENCICAMMPXOHR-RBZFPXEDSA-N 1 2 366.490 3.286 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025710 499358471 /nfs/dbraw/zinc/35/84/71/499358471.db2.gz DLSZQFQAODCGEJ-NHCUHLMSSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025710 499358473 /nfs/dbraw/zinc/35/84/73/499358473.db2.gz DLSZQFQAODCGEJ-NHCUHLMSSA-N 1 2 368.456 3.296 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000369123637 499367799 /nfs/dbraw/zinc/36/77/99/499367799.db2.gz DLVJQRFBPQQOOW-FCHUYYIVSA-N 1 2 362.477 3.220 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000369123637 499367800 /nfs/dbraw/zinc/36/78/00/499367800.db2.gz DLVJQRFBPQQOOW-FCHUYYIVSA-N 1 2 362.477 3.220 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000369214434 499378102 /nfs/dbraw/zinc/37/81/02/499378102.db2.gz KBSJGWKRXIKXAP-OALUTQOASA-N 1 2 366.509 3.120 20 30 FGEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000369213913 499378132 /nfs/dbraw/zinc/37/81/32/499378132.db2.gz HSYRTFKTIUIZDN-UHFFFAOYSA-N 1 2 352.394 3.056 20 30 FGEDLO COc1ccc2c(c1)[C@@H](C)C[N@@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000372403448 499430070 /nfs/dbraw/zinc/43/00/70/499430070.db2.gz CXZXYIQGMDLVOY-ZDUSSCGKSA-N 1 2 355.463 3.229 20 30 FGEDLO COc1ccc2c(c1)[C@@H](C)C[N@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000372403448 499430071 /nfs/dbraw/zinc/43/00/71/499430071.db2.gz CXZXYIQGMDLVOY-ZDUSSCGKSA-N 1 2 355.463 3.229 20 30 FGEDLO C=CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1[nH+]ccn1C ZINC000372945997 499444211 /nfs/dbraw/zinc/44/42/11/499444211.db2.gz IRORTHTUBNHRGU-INIZCTEOSA-N 1 2 356.495 3.474 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000373126501 499452790 /nfs/dbraw/zinc/45/27/90/499452790.db2.gz QMTSYSMKFJWMGD-INIZCTEOSA-N 1 2 359.433 3.293 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c(Br)c1 ZINC000373278400 499461129 /nfs/dbraw/zinc/46/11/29/499461129.db2.gz OADVFWSXSHWSML-UHFFFAOYSA-N 1 2 373.254 3.154 20 30 FGEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)ccc1N1CCOCC1 ZINC000373279132 499461300 /nfs/dbraw/zinc/46/13/00/499461300.db2.gz CVYVVDAYTMRFOF-XCJLJZCSSA-N 1 2 355.482 3.483 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)c2)c1 ZINC000378195452 499489250 /nfs/dbraw/zinc/48/92/50/499489250.db2.gz BRZMIXDLCXHRLJ-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)c2)c1 ZINC000378195452 499489251 /nfs/dbraw/zinc/48/92/51/499489251.db2.gz BRZMIXDLCXHRLJ-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378203220 499490092 /nfs/dbraw/zinc/49/00/92/499490092.db2.gz SOUVAMQRPSAQOJ-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378203220 499490094 /nfs/dbraw/zinc/49/00/94/499490094.db2.gz SOUVAMQRPSAQOJ-SFHVURJKSA-N 1 2 372.428 3.148 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000375159203 499490755 /nfs/dbraw/zinc/49/07/55/499490755.db2.gz LEFXBRMMTGSCMH-CYBMUJFWSA-N 1 2 365.437 3.025 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000375729216 499549400 /nfs/dbraw/zinc/54/94/00/499549400.db2.gz FRTPZLVUPBFFKJ-GUDVDZBRSA-N 1 2 369.465 3.006 20 30 FGEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000394163365 499561535 /nfs/dbraw/zinc/56/15/35/499561535.db2.gz WZJYECOPTWOPPF-UHFFFAOYSA-N 1 2 371.462 3.014 20 30 FGEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000394163365 499561536 /nfs/dbraw/zinc/56/15/36/499561536.db2.gz WZJYECOPTWOPPF-UHFFFAOYSA-N 1 2 371.462 3.014 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000410422915 499661973 /nfs/dbraw/zinc/66/19/73/499661973.db2.gz QMOQWIJSTHMHMO-OAQYLSRUSA-N 1 2 363.436 3.486 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000410422915 499661976 /nfs/dbraw/zinc/66/19/76/499661976.db2.gz QMOQWIJSTHMHMO-OAQYLSRUSA-N 1 2 363.436 3.486 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCc2cc(C#N)ccc21 ZINC000410997493 499689346 /nfs/dbraw/zinc/68/93/46/499689346.db2.gz BSIABDANAMFJLM-UHFFFAOYSA-N 1 2 366.371 3.474 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)c1 ZINC000411166801 499705773 /nfs/dbraw/zinc/70/57/73/499705773.db2.gz MXYUAMAWBZNIHQ-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191956 499708934 /nfs/dbraw/zinc/70/89/34/499708934.db2.gz KXCZFLWPFNAHGU-MRXNPFEDSA-N 1 2 370.453 3.314 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191956 499708936 /nfs/dbraw/zinc/70/89/36/499708936.db2.gz KXCZFLWPFNAHGU-MRXNPFEDSA-N 1 2 370.453 3.314 20 30 FGEDLO CC(=O)NCC[N@H+](CCC1(C#N)CCCCC1)[C@H](C)C(=O)OC(C)(C)C ZINC000411494791 499747560 /nfs/dbraw/zinc/74/75/60/499747560.db2.gz HZYOYKMKYDMSQD-MRXNPFEDSA-N 1 2 365.518 3.019 20 30 FGEDLO CC(=O)NCC[N@@H+](CCC1(C#N)CCCCC1)[C@H](C)C(=O)OC(C)(C)C ZINC000411494791 499747562 /nfs/dbraw/zinc/74/75/62/499747562.db2.gz HZYOYKMKYDMSQD-MRXNPFEDSA-N 1 2 365.518 3.019 20 30 FGEDLO CC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000411952402 499806057 /nfs/dbraw/zinc/80/60/57/499806057.db2.gz VFDWVHDVNWSMJD-OAQYLSRUSA-N 1 2 359.429 3.272 20 30 FGEDLO CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000411952402 499806058 /nfs/dbraw/zinc/80/60/58/499806058.db2.gz VFDWVHDVNWSMJD-OAQYLSRUSA-N 1 2 359.429 3.272 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1occc1C ZINC000412023934 499813817 /nfs/dbraw/zinc/81/38/17/499813817.db2.gz DPFRKGOTJYLEJB-UHFFFAOYSA-N 1 2 363.421 3.106 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1occc1C ZINC000412023934 499813819 /nfs/dbraw/zinc/81/38/19/499813819.db2.gz DPFRKGOTJYLEJB-UHFFFAOYSA-N 1 2 363.421 3.106 20 30 FGEDLO C[C@](CO)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428980762 499973202 /nfs/dbraw/zinc/97/32/02/499973202.db2.gz WOXGMDQWBZVOEC-QGZVFWFLSA-N 1 2 363.230 3.457 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429035211 499989939 /nfs/dbraw/zinc/98/99/39/499989939.db2.gz LJBVJIDXXXPFDO-MRXNPFEDSA-N 1 2 367.193 3.422 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000413822457 500066139 /nfs/dbraw/zinc/06/61/39/500066139.db2.gz KTYFYDMCNXWREZ-IBGZPJMESA-N 1 2 353.466 3.294 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C#N)CCC2)C[C@@H](C)O1 ZINC000416783772 500119518 /nfs/dbraw/zinc/11/95/18/500119518.db2.gz WBYOPIVYINRGPF-HZPDHXFCSA-N 1 2 356.470 3.111 20 30 FGEDLO N#CCCn1ncc(C(=O)NCCCNc2cccc[nH+]2)c1-c1ccccc1 ZINC000429798093 500146353 /nfs/dbraw/zinc/14/63/53/500146353.db2.gz FGYIQYZPYFFXCZ-UHFFFAOYSA-N 1 2 374.448 3.091 20 30 FGEDLO COc1ccccc1[C@H](CNCc1nc(C#N)cs1)[NH+]1CCCCC1 ZINC000573371378 506181659 /nfs/dbraw/zinc/18/16/59/506181659.db2.gz XBSXBLYRDXPUPM-KRWDZBQOSA-N 1 2 356.495 3.340 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1C ZINC000430256842 500216377 /nfs/dbraw/zinc/21/63/77/500216377.db2.gz MAGFSPBDUGWCPF-WWMYMODYSA-N 1 2 360.498 3.132 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1C ZINC000430256842 500216379 /nfs/dbraw/zinc/21/63/79/500216379.db2.gz MAGFSPBDUGWCPF-WWMYMODYSA-N 1 2 360.498 3.132 20 30 FGEDLO COC1(C(F)(F)F)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000419327992 500354134 /nfs/dbraw/zinc/35/41/34/500354134.db2.gz MXYZLZIXLQHLAX-UHFFFAOYSA-N 1 2 366.343 3.152 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)[nH+]1 ZINC000419829685 500403809 /nfs/dbraw/zinc/40/38/09/500403809.db2.gz ZYHIMDZMFYMKJH-GOSISDBHSA-N 1 2 362.433 3.011 20 30 FGEDLO C=CCC[C@@H]1NC(=O)N([C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000419954074 500409862 /nfs/dbraw/zinc/40/98/62/500409862.db2.gz PYSLERLYEUOCFJ-ROUUACIJSA-N 1 2 352.438 3.128 20 30 FGEDLO COC(=O)C[C@](C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000428482552 500516028 /nfs/dbraw/zinc/51/60/28/500516028.db2.gz PBZZILNYUJBWNX-FQEVSTJZSA-N 1 2 356.397 3.274 20 30 FGEDLO C[C@@H](Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573479996 506201473 /nfs/dbraw/zinc/20/14/73/506201473.db2.gz CIRBPJQHWARAMO-DYESRHJHSA-N 1 2 352.482 3.478 20 30 FGEDLO C[C@@H](Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573479996 506201477 /nfs/dbraw/zinc/20/14/77/506201477.db2.gz CIRBPJQHWARAMO-DYESRHJHSA-N 1 2 352.482 3.478 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](CC)O1 ZINC000420952839 500539626 /nfs/dbraw/zinc/53/96/26/500539626.db2.gz IOYTUQWJCWSKEZ-OKZBNKHCSA-N 1 2 373.497 3.220 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H](CC)O1 ZINC000420952839 500539629 /nfs/dbraw/zinc/53/96/29/500539629.db2.gz IOYTUQWJCWSKEZ-OKZBNKHCSA-N 1 2 373.497 3.220 20 30 FGEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428719269 500548255 /nfs/dbraw/zinc/54/82/55/500548255.db2.gz JHHKUNRTDPDBDF-UHFFFAOYSA-N 1 2 370.280 3.185 20 30 FGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000428857828 500567208 /nfs/dbraw/zinc/56/72/08/500567208.db2.gz UBQHJXHVBZMDRK-ZDUSSCGKSA-N 1 2 373.678 3.244 20 30 FGEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000428857828 500567211 /nfs/dbraw/zinc/56/72/11/500567211.db2.gz UBQHJXHVBZMDRK-ZDUSSCGKSA-N 1 2 373.678 3.244 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1C#N ZINC000443072896 500673926 /nfs/dbraw/zinc/67/39/26/500673926.db2.gz SACKCMRMXFPVKE-UHFFFAOYSA-N 1 2 366.852 3.414 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000437990978 500725521 /nfs/dbraw/zinc/72/55/21/500725521.db2.gz WOZQGEXYOALXSH-UYAOXDASSA-N 1 2 368.481 3.054 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000448212478 500734106 /nfs/dbraw/zinc/73/41/06/500734106.db2.gz KYLCHPXFIMXESU-UHFFFAOYSA-N 1 2 371.488 3.452 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000448212478 500734108 /nfs/dbraw/zinc/73/41/08/500734108.db2.gz KYLCHPXFIMXESU-UHFFFAOYSA-N 1 2 371.488 3.452 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443643062 500749145 /nfs/dbraw/zinc/74/91/45/500749145.db2.gz UKEHWLPVIBTJCB-QFBILLFUSA-N 1 2 369.852 3.281 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000443643062 500749147 /nfs/dbraw/zinc/74/91/47/500749147.db2.gz UKEHWLPVIBTJCB-QFBILLFUSA-N 1 2 369.852 3.281 20 30 FGEDLO Cc1cc(N2CCN(CC#Cc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000448494768 500765908 /nfs/dbraw/zinc/76/59/08/500765908.db2.gz HCHJOYDCGWXOPW-UHFFFAOYSA-N 1 2 352.457 3.221 20 30 FGEDLO CC[C@H](CC(F)(F)F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448576425 500775177 /nfs/dbraw/zinc/77/51/77/500775177.db2.gz AEVMOCRVJDDPIJ-MRXNPFEDSA-N 1 2 353.388 3.181 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000434294114 500822591 /nfs/dbraw/zinc/82/25/91/500822591.db2.gz SEHGXLGLHVELGX-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000434294114 500822594 /nfs/dbraw/zinc/82/25/94/500822594.db2.gz SEHGXLGLHVELGX-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439023388 500848293 /nfs/dbraw/zinc/84/82/93/500848293.db2.gz QFPHDZNCHSGWGT-RBUKOAKNSA-N 1 2 365.502 3.376 20 30 FGEDLO CC(=O)Nc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444765438 500895241 /nfs/dbraw/zinc/89/52/41/500895241.db2.gz JEGFMJGXFLRLNE-UHFFFAOYSA-N 1 2 368.868 3.492 20 30 FGEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)no1 ZINC000439462052 500899239 /nfs/dbraw/zinc/89/92/39/500899239.db2.gz NOVQTAVYPQJURV-UHFFFAOYSA-N 1 2 373.888 3.210 20 30 FGEDLO COc1ccc(-n2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cn2)cc1 ZINC000449040951 500908957 /nfs/dbraw/zinc/90/89/57/500908957.db2.gz KNOBMZALTSBELE-QFIPXVFZSA-N 1 2 374.444 3.326 20 30 FGEDLO COc1ccc(-n2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cn2)cc1 ZINC000449040951 500908961 /nfs/dbraw/zinc/90/89/61/500908961.db2.gz KNOBMZALTSBELE-QFIPXVFZSA-N 1 2 374.444 3.326 20 30 FGEDLO CSc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000449042129 500909244 /nfs/dbraw/zinc/90/92/44/500909244.db2.gz QFZLCIIAVCLTAW-UHFFFAOYSA-N 1 2 351.475 3.238 20 30 FGEDLO CCSc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449042353 500909434 /nfs/dbraw/zinc/90/94/34/500909434.db2.gz RMADNLBGTNZQFY-UHFFFAOYSA-N 1 2 366.490 3.023 20 30 FGEDLO C=CC[C@@H]1N(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCC1(C)C ZINC000444875618 500915616 /nfs/dbraw/zinc/91/56/16/500915616.db2.gz AGZIXUJPHLLAHE-SFHVURJKSA-N 1 2 372.513 3.195 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000434991399 500920204 /nfs/dbraw/zinc/92/02/04/500920204.db2.gz OMXGNWQWHDANCM-LJQANCHMSA-N 1 2 365.868 3.370 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn21 ZINC000592745770 506226859 /nfs/dbraw/zinc/22/68/59/506226859.db2.gz KGYJZNTWYXFVCP-UHFFFAOYSA-N 1 2 362.408 3.044 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC000440508632 501016861 /nfs/dbraw/zinc/01/68/61/501016861.db2.gz CNOZNLRPEABLQZ-FQEVSTJZSA-N 1 2 362.901 3.087 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000440508632 501016865 /nfs/dbraw/zinc/01/68/65/501016865.db2.gz CNOZNLRPEABLQZ-FQEVSTJZSA-N 1 2 362.901 3.087 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000440508632 501016869 /nfs/dbraw/zinc/01/68/69/501016869.db2.gz CNOZNLRPEABLQZ-FQEVSTJZSA-N 1 2 362.901 3.087 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000440510054 501017700 /nfs/dbraw/zinc/01/77/00/501017700.db2.gz WKISMEJWFUMBQM-LJQANCHMSA-N 1 2 363.889 3.107 20 30 FGEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000440510054 501017701 /nfs/dbraw/zinc/01/77/01/501017701.db2.gz WKISMEJWFUMBQM-LJQANCHMSA-N 1 2 363.889 3.107 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000440510054 501017702 /nfs/dbraw/zinc/01/77/02/501017702.db2.gz WKISMEJWFUMBQM-LJQANCHMSA-N 1 2 363.889 3.107 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440553673 501022348 /nfs/dbraw/zinc/02/23/48/501022348.db2.gz ICMKIOBHHMDCJB-KUDFPVQQSA-N 1 2 353.466 3.166 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440553673 501022351 /nfs/dbraw/zinc/02/23/51/501022351.db2.gz ICMKIOBHHMDCJB-KUDFPVQQSA-N 1 2 353.466 3.166 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000445738592 501026567 /nfs/dbraw/zinc/02/65/67/501026567.db2.gz HPTSMSUJEKFGJV-KRWDZBQOSA-N 1 2 370.334 3.228 20 30 FGEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2ccc(C#N)nc2)c1 ZINC000440896178 501060751 /nfs/dbraw/zinc/06/07/51/501060751.db2.gz ZTSZFRVBRKCMON-UHFFFAOYSA-N 1 2 351.797 3.485 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441521735 501151330 /nfs/dbraw/zinc/15/13/30/501151330.db2.gz FCXMEJVYYHRSRI-IBGZPJMESA-N 1 2 356.470 3.133 20 30 FGEDLO COc1ccc(-n2c3ccccc3[nH+]c2NCc2cc(C#N)n(C)c2)cc1 ZINC000446877864 501176267 /nfs/dbraw/zinc/17/62/67/501176267.db2.gz PGKGZLYNPXSXSN-UHFFFAOYSA-N 1 2 357.417 3.278 20 30 FGEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000611638738 506239027 /nfs/dbraw/zinc/23/90/27/506239027.db2.gz QEKQZMBXQHXYSU-UHFFFAOYSA-N 1 2 368.403 3.082 20 30 FGEDLO CC(C)(C)C(=O)CCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000450669464 501182357 /nfs/dbraw/zinc/18/23/57/501182357.db2.gz BKQRNODKWQIHBX-UHFFFAOYSA-N 1 2 369.509 3.446 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000436698195 501190864 /nfs/dbraw/zinc/19/08/64/501190864.db2.gz OYXGMDQSSQDYSQ-KRWDZBQOSA-N 1 2 355.401 3.308 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000450146548 501193845 /nfs/dbraw/zinc/19/38/45/501193845.db2.gz UTAVCKNUNJMYKR-SFHVURJKSA-N 1 2 353.466 3.009 20 30 FGEDLO Cc1ccc([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000450267160 501222303 /nfs/dbraw/zinc/22/23/03/501222303.db2.gz WKLRNYMAZYWABU-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO Cc1ccc(Br)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000450290760 501226673 /nfs/dbraw/zinc/22/66/73/501226673.db2.gz UIVQKRRHCINZBH-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc(OC)c1OC ZINC000455487387 501315978 /nfs/dbraw/zinc/31/59/78/501315978.db2.gz QEQJFEQHTWIEAR-CJNGLKHVSA-N 1 2 370.453 3.134 20 30 FGEDLO Cc1cc(C)c(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c[nH+]1 ZINC000455557312 501333655 /nfs/dbraw/zinc/33/36/55/501333655.db2.gz LCQVLRXJGBOYIF-UHFFFAOYSA-N 1 2 364.449 3.323 20 30 FGEDLO Cc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455576687 501338282 /nfs/dbraw/zinc/33/82/82/501338282.db2.gz INAXMXRLRJEVBV-SFHVURJKSA-N 1 2 362.477 3.455 20 30 FGEDLO CC1(C)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC[S@]1=O ZINC000451761389 501367562 /nfs/dbraw/zinc/36/75/62/501367562.db2.gz VJWRWHAWPOMQCV-XMMPIXPASA-N 1 2 359.413 3.170 20 30 FGEDLO CC1(C)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC[S@]1=O ZINC000451761389 501367563 /nfs/dbraw/zinc/36/75/63/501367563.db2.gz VJWRWHAWPOMQCV-XMMPIXPASA-N 1 2 359.413 3.170 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000455949027 501423756 /nfs/dbraw/zinc/42/37/56/501423756.db2.gz QHXQJRZRGINWLU-LPHOPBHVSA-N 1 2 350.466 3.433 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000458485845 501455475 /nfs/dbraw/zinc/45/54/75/501455475.db2.gz FGFCSNLAYURGRY-MRXNPFEDSA-N 1 2 365.543 3.331 20 30 FGEDLO CC(C)(CC#N)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000458513284 501463330 /nfs/dbraw/zinc/46/33/30/501463330.db2.gz NAEQHXSGPOYEHT-UHFFFAOYSA-N 1 2 353.470 3.255 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1C#N ZINC000456259049 501482793 /nfs/dbraw/zinc/48/27/93/501482793.db2.gz DPIHWFFPCJJQBZ-INIZCTEOSA-N 1 2 368.462 3.182 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000454401188 501534484 /nfs/dbraw/zinc/53/44/84/501534484.db2.gz ABVYUTQKSWYEHK-UHFFFAOYSA-N 1 2 351.450 3.064 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(CC#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456720485 501586217 /nfs/dbraw/zinc/58/62/17/501586217.db2.gz AUNBKSDMVGADNN-INIZCTEOSA-N 1 2 366.440 3.041 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459096073 501593143 /nfs/dbraw/zinc/59/31/43/501593143.db2.gz DLKTXXQHXOAVLC-AWEZNQCLSA-N 1 2 357.414 3.270 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459631611 501689901 /nfs/dbraw/zinc/68/99/01/501689901.db2.gz IPYKKNAPQVNNRJ-GHMZBOCLSA-N 1 2 358.467 3.391 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000588312821 506268498 /nfs/dbraw/zinc/26/84/98/506268498.db2.gz WXYHKLBIWHEEGA-CQSZACIVSA-N 1 2 374.242 3.386 20 30 FGEDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000602729802 506277227 /nfs/dbraw/zinc/27/72/27/506277227.db2.gz DHKZDGUPSLDLPP-UHFFFAOYSA-N 1 2 351.425 3.400 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000481688081 501849439 /nfs/dbraw/zinc/84/94/39/501849439.db2.gz RAQFBCWAWJWVQJ-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460600721 501872980 /nfs/dbraw/zinc/87/29/80/501872980.db2.gz VMPZLFZGIBGNJN-SFHVURJKSA-N 1 2 366.461 3.185 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000478345954 501950482 /nfs/dbraw/zinc/95/04/82/501950482.db2.gz SYSGAKOSNADFDG-VQTJNVASSA-N 1 2 369.415 3.061 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000478345954 501950490 /nfs/dbraw/zinc/95/04/90/501950490.db2.gz SYSGAKOSNADFDG-VQTJNVASSA-N 1 2 369.415 3.061 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000474799162 501956231 /nfs/dbraw/zinc/95/62/31/501956231.db2.gz NLNXSENWMNBZLK-MRXNPFEDSA-N 1 2 362.861 3.055 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)cc1F ZINC000482089479 501971846 /nfs/dbraw/zinc/97/18/46/501971846.db2.gz ORJJTLZXXVUWJK-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468231581 501998228 /nfs/dbraw/zinc/99/82/28/501998228.db2.gz SEXSHBDQHHKOSB-IBGZPJMESA-N 1 2 364.449 3.207 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468231581 501998230 /nfs/dbraw/zinc/99/82/30/501998230.db2.gz SEXSHBDQHHKOSB-IBGZPJMESA-N 1 2 364.449 3.207 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cc(C#N)cnn1 ZINC000596168902 506289375 /nfs/dbraw/zinc/28/93/75/506289375.db2.gz ZLLXLGCOZAOTIT-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468400930 502047681 /nfs/dbraw/zinc/04/76/81/502047681.db2.gz HBLWFVXBIBOMMD-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468400930 502047683 /nfs/dbraw/zinc/04/76/83/502047683.db2.gz HBLWFVXBIBOMMD-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO CCc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000596176510 506294892 /nfs/dbraw/zinc/29/48/92/506294892.db2.gz HNKCMYWMQQJOEX-APWZRJJASA-N 1 2 371.872 3.048 20 30 FGEDLO CCc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000596176510 506294897 /nfs/dbraw/zinc/29/48/97/506294897.db2.gz HNKCMYWMQQJOEX-APWZRJJASA-N 1 2 371.872 3.048 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000461780591 502199758 /nfs/dbraw/zinc/19/97/58/502199758.db2.gz YYTSIHSIWVGQAX-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC000461917301 502236270 /nfs/dbraw/zinc/23/62/70/502236270.db2.gz LZEHWISQRKWDSB-QGZVFWFLSA-N 1 2 362.477 3.048 20 30 FGEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000465522718 502287781 /nfs/dbraw/zinc/28/77/81/502287781.db2.gz WBITXFSLFNNMCO-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000483531102 502422797 /nfs/dbraw/zinc/42/27/97/502422797.db2.gz LHGORRYRBMGYIO-UHFFFAOYSA-N 1 2 357.251 3.371 20 30 FGEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000483531102 502422801 /nfs/dbraw/zinc/42/28/01/502422801.db2.gz LHGORRYRBMGYIO-UHFFFAOYSA-N 1 2 357.251 3.371 20 30 FGEDLO N#Cc1c(C#N)c2c(nc1NCc1ccn3cc[nH+]c3c1)CCCCCC2 ZINC000480097292 502472215 /nfs/dbraw/zinc/47/22/15/502472215.db2.gz YCHVAPLKXLOBTI-UHFFFAOYSA-N 1 2 356.433 3.166 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000483832203 502503868 /nfs/dbraw/zinc/50/38/68/502503868.db2.gz MDKYDJSEMUTVJP-JOCHJYFZSA-N 1 2 361.489 3.264 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000483832203 502503872 /nfs/dbraw/zinc/50/38/72/502503872.db2.gz MDKYDJSEMUTVJP-JOCHJYFZSA-N 1 2 361.489 3.264 20 30 FGEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)c1 ZINC000473259207 502553876 /nfs/dbraw/zinc/55/38/76/502553876.db2.gz BZEYCNRSJQYMCB-UHFFFAOYSA-N 1 2 373.412 3.167 20 30 FGEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)c1 ZINC000473259207 502553879 /nfs/dbraw/zinc/55/38/79/502553879.db2.gz BZEYCNRSJQYMCB-UHFFFAOYSA-N 1 2 373.412 3.167 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(Cl)c(N4CCNC4=O)c3)n2c1 ZINC000466409851 502562114 /nfs/dbraw/zinc/56/21/14/502562114.db2.gz OROONHJFBJXPBZ-UHFFFAOYSA-N 1 2 366.812 3.001 20 30 FGEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480496794 502583066 /nfs/dbraw/zinc/58/30/66/502583066.db2.gz FNSBQWQSDYHFOU-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480496794 502583067 /nfs/dbraw/zinc/58/30/67/502583067.db2.gz FNSBQWQSDYHFOU-GFCCVEGCSA-N 1 2 363.870 3.052 20 30 FGEDLO C=C(CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1 ZINC000476847422 502600714 /nfs/dbraw/zinc/60/07/14/502600714.db2.gz KWMZNOFSYUSIIL-OAQYLSRUSA-N 1 2 365.477 3.073 20 30 FGEDLO Cc1nc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)ccc1C#N ZINC000488073861 502619021 /nfs/dbraw/zinc/61/90/21/502619021.db2.gz AGYKJVHYIRDDNB-UHFFFAOYSA-N 1 2 355.445 3.253 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484540981 502665394 /nfs/dbraw/zinc/66/53/94/502665394.db2.gz FNHFXCKYDSKQJC-OAQYLSRUSA-N 1 2 352.434 3.107 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000484540981 502665399 /nfs/dbraw/zinc/66/53/99/502665399.db2.gz FNHFXCKYDSKQJC-OAQYLSRUSA-N 1 2 352.434 3.107 20 30 FGEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000466802827 502684762 /nfs/dbraw/zinc/68/47/62/502684762.db2.gz QCXXZCGJMZPZHM-DOTOQJQBSA-N 1 2 355.404 3.457 20 30 FGEDLO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000466802827 502684768 /nfs/dbraw/zinc/68/47/68/502684768.db2.gz QCXXZCGJMZPZHM-DOTOQJQBSA-N 1 2 355.404 3.457 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481086352 502751123 /nfs/dbraw/zinc/75/11/23/502751123.db2.gz DATRLDICTLCJEX-QWHCGFSZSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481086352 502751127 /nfs/dbraw/zinc/75/11/27/502751127.db2.gz DATRLDICTLCJEX-QWHCGFSZSA-N 1 2 363.177 3.208 20 30 FGEDLO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)CC#N)[C@@H](c3ccco3)C2)cc1 ZINC000602871213 506332427 /nfs/dbraw/zinc/33/24/27/506332427.db2.gz ZKPZJLOAKOABOG-MAUKXSAKSA-N 1 2 350.422 3.158 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1C ZINC000602881342 506335960 /nfs/dbraw/zinc/33/59/60/506335960.db2.gz POMUJIBUWYKXGG-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1C ZINC000602881342 506335961 /nfs/dbraw/zinc/33/59/61/506335961.db2.gz POMUJIBUWYKXGG-IBGZPJMESA-N 1 2 351.454 3.110 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889534 506339541 /nfs/dbraw/zinc/33/95/41/506339541.db2.gz WMIRVWRJZZANPB-ICSRJNTNSA-N 1 2 372.428 3.205 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889534 506339545 /nfs/dbraw/zinc/33/95/45/506339545.db2.gz WMIRVWRJZZANPB-ICSRJNTNSA-N 1 2 372.428 3.205 20 30 FGEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1cn2ccccc2c1C#N ZINC000513232971 502885923 /nfs/dbraw/zinc/88/59/23/502885923.db2.gz SZSSMSOMRQDEHK-UHFFFAOYSA-N 1 2 352.482 3.424 20 30 FGEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cn2ccccc2c1C#N ZINC000513232971 502885927 /nfs/dbraw/zinc/88/59/27/502885927.db2.gz SZSSMSOMRQDEHK-UHFFFAOYSA-N 1 2 352.482 3.424 20 30 FGEDLO CC(C)CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513401988 502927516 /nfs/dbraw/zinc/92/75/16/502927516.db2.gz RBSHNRCYFUIEIV-UHFFFAOYSA-N 1 2 353.441 3.472 20 30 FGEDLO CC(C)CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000513401988 502927518 /nfs/dbraw/zinc/92/75/18/502927518.db2.gz RBSHNRCYFUIEIV-UHFFFAOYSA-N 1 2 353.441 3.472 20 30 FGEDLO Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513676443 502998385 /nfs/dbraw/zinc/99/83/85/502998385.db2.gz FIPNGMGVDOCGRZ-VGSWGCGISA-N 1 2 361.445 3.028 20 30 FGEDLO Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513676443 502998388 /nfs/dbraw/zinc/99/83/88/502998388.db2.gz FIPNGMGVDOCGRZ-VGSWGCGISA-N 1 2 361.445 3.028 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000489777107 503032152 /nfs/dbraw/zinc/03/21/52/503032152.db2.gz PBFQAHVHCKXAPA-LAUBAEHRSA-N 1 2 372.513 3.007 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000489777107 503032154 /nfs/dbraw/zinc/03/21/54/503032154.db2.gz PBFQAHVHCKXAPA-LAUBAEHRSA-N 1 2 372.513 3.007 20 30 FGEDLO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910923 506347845 /nfs/dbraw/zinc/34/78/45/506347845.db2.gz GOTDYFFWFYUTBK-CYBMUJFWSA-N 1 2 370.403 3.438 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000497759148 503035128 /nfs/dbraw/zinc/03/51/28/503035128.db2.gz PIXCHJQNEUHDLM-UHFFFAOYSA-N 1 2 366.461 3.088 20 30 FGEDLO Cc1ccc2c(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc(O)c2n1 ZINC000513883144 503040756 /nfs/dbraw/zinc/04/07/56/503040756.db2.gz XKHGYZSOYZLFSZ-UHFFFAOYSA-N 1 2 372.472 3.438 20 30 FGEDLO N#Cc1ccc(C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)nc1 ZINC000602914113 506349863 /nfs/dbraw/zinc/34/98/63/506349863.db2.gz YAVAVZHJEUIHOS-UHFFFAOYSA-N 1 2 359.433 3.307 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000498130309 503113325 /nfs/dbraw/zinc/11/33/25/503113325.db2.gz CJIMAZWMIPVBCE-UHFFFAOYSA-N 1 2 352.438 3.378 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924062 506352595 /nfs/dbraw/zinc/35/25/95/506352595.db2.gz BJMKWFUWCHHTHL-GOSISDBHSA-N 1 2 367.497 3.287 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924062 506352597 /nfs/dbraw/zinc/35/25/97/506352597.db2.gz BJMKWFUWCHHTHL-GOSISDBHSA-N 1 2 367.497 3.287 20 30 FGEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000502199053 503161745 /nfs/dbraw/zinc/16/17/45/503161745.db2.gz VTHHXXALWYNAOW-UHFFFAOYSA-N 1 2 355.482 3.052 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000506767618 503168210 /nfs/dbraw/zinc/16/82/10/503168210.db2.gz QCADHRJUWQGMBA-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342443 503183853 /nfs/dbraw/zinc/18/38/53/503183853.db2.gz WMVOTJQEWGXSAE-YLJYHZDGSA-N 1 2 373.472 3.329 20 30 FGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342443 503183855 /nfs/dbraw/zinc/18/38/55/503183855.db2.gz WMVOTJQEWGXSAE-YLJYHZDGSA-N 1 2 373.472 3.329 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC4(CC3)C(F)(F)C4(F)F)C2=O)cc1 ZINC000593055324 506364452 /nfs/dbraw/zinc/36/44/52/506364452.db2.gz SNXVWKRAUOEEHI-CQSZACIVSA-N 1 2 367.346 3.030 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000515466738 503343927 /nfs/dbraw/zinc/34/39/27/503343927.db2.gz OPOWUZFVTVLUPU-DAXSKMNVSA-N 1 2 366.490 3.160 20 30 FGEDLO COc1cccc([C@@H](C)N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000507721129 503355504 /nfs/dbraw/zinc/35/55/04/503355504.db2.gz YXYFKZWQYFMRDA-GOSISDBHSA-N 1 2 365.477 3.324 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000492677567 503379609 /nfs/dbraw/zinc/37/96/09/503379609.db2.gz DHKXSHMYQMLOOW-QGZVFWFLSA-N 1 2 361.917 3.219 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000492677567 503379614 /nfs/dbraw/zinc/37/96/14/503379614.db2.gz DHKXSHMYQMLOOW-QGZVFWFLSA-N 1 2 361.917 3.219 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974596 506370300 /nfs/dbraw/zinc/37/03/00/506370300.db2.gz QMRINQMZOFNEIO-JKSUJKDBSA-N 1 2 353.388 3.202 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974596 506370307 /nfs/dbraw/zinc/37/03/07/506370307.db2.gz QMRINQMZOFNEIO-JKSUJKDBSA-N 1 2 353.388 3.202 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CSCc2ccc(C#N)cc2)c1C ZINC000499669777 503453476 /nfs/dbraw/zinc/45/34/76/503453476.db2.gz IITXLPOADZQORO-UHFFFAOYSA-N 1 2 369.490 3.471 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000512227842 503492566 /nfs/dbraw/zinc/49/25/66/503492566.db2.gz NPIGTKPDFZHAIB-HWKANZROSA-N 1 2 366.396 3.441 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954587 503521085 /nfs/dbraw/zinc/52/10/85/503521085.db2.gz MNCOXPXLFFVCFM-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954587 503521088 /nfs/dbraw/zinc/52/10/88/503521088.db2.gz MNCOXPXLFFVCFM-ABAIWWIYSA-N 1 2 370.280 3.039 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)c2ccccc2[nH+]1 ZINC000494402172 503536654 /nfs/dbraw/zinc/53/66/54/503536654.db2.gz HGWMCCTYJGBCJB-UHFFFAOYSA-N 1 2 351.431 3.200 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000516574332 503540445 /nfs/dbraw/zinc/54/04/45/503540445.db2.gz NOOIIQKCOUUWOD-HXUWFJFHSA-N 1 2 359.473 3.371 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000516574332 503540449 /nfs/dbraw/zinc/54/04/49/503540449.db2.gz NOOIIQKCOUUWOD-HXUWFJFHSA-N 1 2 359.473 3.371 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1F ZINC000512458352 503558430 /nfs/dbraw/zinc/55/84/30/503558430.db2.gz ZTTKKMAWOBVJSD-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1F ZINC000512458352 503558433 /nfs/dbraw/zinc/55/84/33/503558433.db2.gz ZTTKKMAWOBVJSD-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508826900 503571682 /nfs/dbraw/zinc/57/16/82/503571682.db2.gz KHEPYBIUNGZFFJ-UHFFFAOYSA-N 1 2 357.889 3.317 20 30 FGEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000495074748 503659608 /nfs/dbraw/zinc/65/96/08/503659608.db2.gz NLMDRERVMNTDKV-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000546212732 503673116 /nfs/dbraw/zinc/67/31/16/503673116.db2.gz HJWYBIDIZSORCL-UHFFFAOYSA-N 1 2 370.378 3.146 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cccc(C#N)c2Br)CC1(C)C ZINC000517293620 503707292 /nfs/dbraw/zinc/70/72/92/503707292.db2.gz FMTKPJDJEUILTE-CQSZACIVSA-N 1 2 373.254 3.278 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C#N)CCc2ccccc2)c1C ZINC000540560844 503817180 /nfs/dbraw/zinc/81/71/80/503817180.db2.gz BYAHHQFZIAMBCU-SFHVURJKSA-N 1 2 351.450 3.438 20 30 FGEDLO Cc1sc(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)c(C#N)c1C ZINC000533393041 503827506 /nfs/dbraw/zinc/82/75/06/503827506.db2.gz LSSKUZFTYYBNDV-UHFFFAOYSA-N 1 2 370.478 3.114 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)OCC ZINC000533702249 503927609 /nfs/dbraw/zinc/92/76/09/503927609.db2.gz AZUYNRZNYYOSRT-SFHVURJKSA-N 1 2 350.890 3.356 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c(OC(F)F)c1 ZINC000541023545 503978613 /nfs/dbraw/zinc/97/86/13/503978613.db2.gz VYWKJMFIOCRESD-CQSZACIVSA-N 1 2 354.303 3.261 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000527910488 503994966 /nfs/dbraw/zinc/99/49/66/503994966.db2.gz ONGBVXWZYJUFSQ-VIFPVBQESA-N 1 2 357.202 3.356 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000530533304 504001309 /nfs/dbraw/zinc/00/13/09/504001309.db2.gz RZRSRQXWAZAFJW-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541162634 504028104 /nfs/dbraw/zinc/02/81/04/504028104.db2.gz BOZAQEATVSGARD-NJAPINKUSA-N 1 2 370.415 3.337 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541162634 504028105 /nfs/dbraw/zinc/02/81/05/504028105.db2.gz BOZAQEATVSGARD-NJAPINKUSA-N 1 2 370.415 3.337 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000534309377 504105137 /nfs/dbraw/zinc/10/51/37/504105137.db2.gz UTIXTCIBBHYJHU-UHFFFAOYSA-N 1 2 363.436 3.493 20 30 FGEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1cccc(C#N)c1F ZINC000538138824 504143605 /nfs/dbraw/zinc/14/36/05/504143605.db2.gz CWAKRLFQXOESCS-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1cccc(C#N)c1F ZINC000538138824 504143612 /nfs/dbraw/zinc/14/36/12/504143612.db2.gz CWAKRLFQXOESCS-UHFFFAOYSA-N 1 2 360.385 3.116 20 30 FGEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000544474834 504148615 /nfs/dbraw/zinc/14/86/15/504148615.db2.gz AKMUPRUEDYTOQZ-NSHDSACASA-N 1 2 373.482 3.260 20 30 FGEDLO N#C[C@@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CCN1Cc1ccccc1 ZINC000541536276 504169033 /nfs/dbraw/zinc/16/90/33/504169033.db2.gz IZTYUFQUTVUQDU-LJQANCHMSA-N 1 2 363.490 3.144 20 30 FGEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000547753625 504211802 /nfs/dbraw/zinc/21/18/02/504211802.db2.gz WLAIKMOUKHNMLE-CRAIPNDOSA-N 1 2 354.853 3.059 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)COc1ccccc1C#N)CC3 ZINC000528413940 504213890 /nfs/dbraw/zinc/21/38/90/504213890.db2.gz NQWPHYJDNSFNQK-KRWDZBQOSA-N 1 2 361.445 3.146 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)COc1ccccc1C#N)CC3 ZINC000528413940 504213894 /nfs/dbraw/zinc/21/38/94/504213894.db2.gz NQWPHYJDNSFNQK-KRWDZBQOSA-N 1 2 361.445 3.146 20 30 FGEDLO N#Cc1ccccc1OC1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000535007441 504311489 /nfs/dbraw/zinc/31/14/89/504311489.db2.gz UVHMCMPTLCCMKL-UHFFFAOYSA-N 1 2 359.433 3.138 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528681334 504328798 /nfs/dbraw/zinc/32/87/98/504328798.db2.gz RPHGBMWUYOCJHA-HNNXBMFYSA-N 1 2 368.868 3.055 20 30 FGEDLO N#CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542252467 504423738 /nfs/dbraw/zinc/42/37/38/504423738.db2.gz IWRBSFSLXJCVIR-HNNXBMFYSA-N 1 2 352.841 3.219 20 30 FGEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000520921982 504610933 /nfs/dbraw/zinc/61/09/33/504610933.db2.gz QZBCHGDGXBUACY-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542817299 504623503 /nfs/dbraw/zinc/62/35/03/504623503.db2.gz BHEAYNOAHBODBH-HOTGVXAUSA-N 1 2 371.909 3.443 20 30 FGEDLO C=CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542817299 504623507 /nfs/dbraw/zinc/62/35/07/504623507.db2.gz BHEAYNOAHBODBH-HOTGVXAUSA-N 1 2 371.909 3.443 20 30 FGEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000536074297 504625099 /nfs/dbraw/zinc/62/50/99/504625099.db2.gz VAZGUPNTPXFHOJ-UHFFFAOYSA-N 1 2 367.434 3.049 20 30 FGEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000536074297 504625104 /nfs/dbraw/zinc/62/51/04/504625104.db2.gz VAZGUPNTPXFHOJ-UHFFFAOYSA-N 1 2 367.434 3.049 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000542850760 504632912 /nfs/dbraw/zinc/63/29/12/504632912.db2.gz NLEIRXHWXSJKOI-ZWKOTPCHSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000542850760 504632917 /nfs/dbraw/zinc/63/29/17/504632917.db2.gz NLEIRXHWXSJKOI-ZWKOTPCHSA-N 1 2 362.424 3.045 20 30 FGEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000532414843 504640907 /nfs/dbraw/zinc/64/09/07/504640907.db2.gz JGLMLFUPYULCHM-UHFFFAOYSA-N 1 2 369.517 3.148 20 30 FGEDLO COc1ccc2c(c1)CCC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000532536577 504685911 /nfs/dbraw/zinc/68/59/11/504685911.db2.gz ARFGQMNUFCLDBH-SFHVURJKSA-N 1 2 367.474 3.182 20 30 FGEDLO COc1ccc2c(c1)CCC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000532536577 504685916 /nfs/dbraw/zinc/68/59/16/504685916.db2.gz ARFGQMNUFCLDBH-SFHVURJKSA-N 1 2 367.474 3.182 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccsc3Br)C2)nc1 ZINC000529573110 504733314 /nfs/dbraw/zinc/73/33/14/504733314.db2.gz DUOOOGRKIVRHFK-CYBMUJFWSA-N 1 2 364.268 3.431 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccsc3Br)C2)nc1 ZINC000529573110 504733317 /nfs/dbraw/zinc/73/33/17/504733317.db2.gz DUOOOGRKIVRHFK-CYBMUJFWSA-N 1 2 364.268 3.431 20 30 FGEDLO Cc1ccnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1C#N ZINC000543138981 504739170 /nfs/dbraw/zinc/73/91/70/504739170.db2.gz RXDGPHPSENCAQZ-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cnc1C(F)(F)F ZINC000556215320 504821229 /nfs/dbraw/zinc/82/12/29/504821229.db2.gz YWCBBBDWIZXQSC-UHFFFAOYSA-N 1 2 371.322 3.088 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000553085528 504824478 /nfs/dbraw/zinc/82/44/78/504824478.db2.gz XOQCUDYAIJLKGL-UHFFFAOYSA-N 1 2 367.449 3.289 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1Cc1ccccc1 ZINC000559306845 504826161 /nfs/dbraw/zinc/82/61/61/504826161.db2.gz LVNLGRVOOQSBSQ-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1Cc1ccccc1 ZINC000559306845 504826162 /nfs/dbraw/zinc/82/61/62/504826162.db2.gz LVNLGRVOOQSBSQ-FQEVSTJZSA-N 1 2 352.865 3.125 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1C#N ZINC000559358049 504845735 /nfs/dbraw/zinc/84/57/35/504845735.db2.gz YGPFAQFNTVPDNR-HXUWFJFHSA-N 1 2 350.418 3.091 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C#N ZINC000559358049 504845737 /nfs/dbraw/zinc/84/57/37/504845737.db2.gz YGPFAQFNTVPDNR-HXUWFJFHSA-N 1 2 350.418 3.091 20 30 FGEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549678802 504872074 /nfs/dbraw/zinc/87/20/74/504872074.db2.gz LNCPZLZSBOLRFR-UHFFFAOYSA-N 1 2 359.905 3.392 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000549782083 504897230 /nfs/dbraw/zinc/89/72/30/504897230.db2.gz MQJZTHFCLJRNEH-IBGZPJMESA-N 1 2 350.418 3.420 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000549827504 504909494 /nfs/dbraw/zinc/90/94/94/504909494.db2.gz ABHWYLBPMLLTNR-IBGZPJMESA-N 1 2 353.853 3.145 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000549827504 504909497 /nfs/dbraw/zinc/90/94/97/504909497.db2.gz ABHWYLBPMLLTNR-IBGZPJMESA-N 1 2 353.853 3.145 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNc3cc(C#N)ccn3)[nH+]c12 ZINC000553497478 504932125 /nfs/dbraw/zinc/93/21/25/504932125.db2.gz RATQIRJHDMVEIU-UHFFFAOYSA-N 1 2 356.227 3.327 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000563005284 505017792 /nfs/dbraw/zinc/01/77/92/505017792.db2.gz QHUQMCMNEYALKN-KRWDZBQOSA-N 1 2 370.409 3.005 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000563005284 505017796 /nfs/dbraw/zinc/01/77/96/505017796.db2.gz QHUQMCMNEYALKN-KRWDZBQOSA-N 1 2 370.409 3.005 20 30 FGEDLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000557340614 505111182 /nfs/dbraw/zinc/11/11/82/505111182.db2.gz DWLXQHZHLNOVBT-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000557340614 505111185 /nfs/dbraw/zinc/11/11/85/505111185.db2.gz DWLXQHZHLNOVBT-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C(F)(F)F ZINC000563375207 505125390 /nfs/dbraw/zinc/12/53/90/505125390.db2.gz CNAMMADDJLKMBN-OLZOCXBDSA-N 1 2 370.762 3.491 20 30 FGEDLO Cc1cccn2cc(CNC(=O)CCCCOc3cccc(C#N)c3)[nH+]c12 ZINC000554296155 505137204 /nfs/dbraw/zinc/13/72/04/505137204.db2.gz JWCZDBVIIJVQDF-UHFFFAOYSA-N 1 2 362.433 3.380 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000563890852 505268157 /nfs/dbraw/zinc/26/81/57/505268157.db2.gz UBGSGKSZYGZEOO-HXUWFJFHSA-N 1 2 371.868 3.493 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845619 505279490 /nfs/dbraw/zinc/27/94/90/505279490.db2.gz CKUWKJSQQSXDLF-LSDHHAIUSA-N 1 2 351.372 3.139 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554845619 505279493 /nfs/dbraw/zinc/27/94/93/505279493.db2.gz CKUWKJSQQSXDLF-LSDHHAIUSA-N 1 2 351.372 3.139 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000561228609 505286680 /nfs/dbraw/zinc/28/66/80/505286680.db2.gz TXAPYQPEVJQPPB-UHFFFAOYSA-N 1 2 353.422 3.186 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000555083971 505345206 /nfs/dbraw/zinc/34/52/06/505345206.db2.gz TZGFESXFYDEBRQ-MSOLQXFVSA-N 1 2 372.432 3.162 20 30 FGEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000555083971 505345208 /nfs/dbraw/zinc/34/52/08/505345208.db2.gz TZGFESXFYDEBRQ-MSOLQXFVSA-N 1 2 372.432 3.162 20 30 FGEDLO C[C@@H]1C[N@@H+](CCN(C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000555104821 505350281 /nfs/dbraw/zinc/35/02/81/505350281.db2.gz RTCRPWBCZAIYDY-OKILXGFUSA-N 1 2 355.404 3.118 20 30 FGEDLO C[C@@H]1C[N@H+](CCN(C)Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000555104821 505350284 /nfs/dbraw/zinc/35/02/84/505350284.db2.gz RTCRPWBCZAIYDY-OKILXGFUSA-N 1 2 355.404 3.118 20 30 FGEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000555254985 505392644 /nfs/dbraw/zinc/39/26/44/505392644.db2.gz ZXCMKGFLKBETFS-UHFFFAOYSA-N 1 2 357.502 3.358 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)c1 ZINC000558773972 505489258 /nfs/dbraw/zinc/48/92/58/505489258.db2.gz ZPKVNLDPNADPIJ-UHFFFAOYSA-N 1 2 359.389 3.480 20 30 FGEDLO N#Cc1csc(CN[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000562071893 505510183 /nfs/dbraw/zinc/51/01/83/505510183.db2.gz XYXGDRXCYVNWMH-AWEZNQCLSA-N 1 2 366.412 3.398 20 30 FGEDLO N#Cc1csc(CN[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000562071893 505510186 /nfs/dbraw/zinc/51/01/86/505510186.db2.gz XYXGDRXCYVNWMH-AWEZNQCLSA-N 1 2 366.412 3.398 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)cc1 ZINC000555775045 505512545 /nfs/dbraw/zinc/51/25/45/505512545.db2.gz RNJNQRPYSXBPCI-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)cc1 ZINC000555775045 505512549 /nfs/dbraw/zinc/51/25/49/505512549.db2.gz RNJNQRPYSXBPCI-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599427422 506453318 /nfs/dbraw/zinc/45/33/18/506453318.db2.gz PWBRJTGSXNTRIC-AWEZNQCLSA-N 1 2 350.260 3.184 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599427422 506453325 /nfs/dbraw/zinc/45/33/25/506453325.db2.gz PWBRJTGSXNTRIC-AWEZNQCLSA-N 1 2 350.260 3.184 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCCn1c(C)[nH+]c2ccccc21 ZINC000603269581 506472547 /nfs/dbraw/zinc/47/25/47/506472547.db2.gz VBSUHBJPHGUJQK-UHFFFAOYSA-N 1 2 364.449 3.492 20 30 FGEDLO N#Cc1cncnc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000583021907 506545675 /nfs/dbraw/zinc/54/56/75/506545675.db2.gz OBRHYFVUWKLHNA-UHFFFAOYSA-N 1 2 362.264 3.020 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000612406855 506567066 /nfs/dbraw/zinc/56/70/66/506567066.db2.gz VOLQZHXNQJDXGV-HRAATJIYSA-N 1 2 373.497 3.066 20 30 FGEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000612406855 506567075 /nfs/dbraw/zinc/56/70/75/506567075.db2.gz VOLQZHXNQJDXGV-HRAATJIYSA-N 1 2 373.497 3.066 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)C2 ZINC000599677528 506573871 /nfs/dbraw/zinc/57/38/71/506573871.db2.gz KUUGLJBELQWTNE-UHFFFAOYSA-N 1 2 372.465 3.114 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)C2 ZINC000599677528 506573875 /nfs/dbraw/zinc/57/38/75/506573875.db2.gz KUUGLJBELQWTNE-UHFFFAOYSA-N 1 2 372.465 3.114 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N1CCSc3ccccc31)C2 ZINC000599685216 506579954 /nfs/dbraw/zinc/57/99/54/506579954.db2.gz AFHYAQQJMUEYHU-UHFFFAOYSA-N 1 2 363.486 3.250 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N1CCSc3ccccc31)C2 ZINC000599685216 506579959 /nfs/dbraw/zinc/57/99/59/506579959.db2.gz AFHYAQQJMUEYHU-UHFFFAOYSA-N 1 2 363.486 3.250 20 30 FGEDLO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000599694075 506585766 /nfs/dbraw/zinc/58/57/66/506585766.db2.gz GJALKEJBDVOOOM-RYUDHWBXSA-N 1 2 365.271 3.483 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC1(C#N)CCCC1 ZINC000593426636 506613881 /nfs/dbraw/zinc/61/38/81/506613881.db2.gz HHPXAGRLYVFVMS-UHFFFAOYSA-N 1 2 351.454 3.157 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000593458397 506630163 /nfs/dbraw/zinc/63/01/63/506630163.db2.gz ORUAOWPETRMDIM-OAHLLOKOSA-N 1 2 362.355 3.162 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000593465361 506635737 /nfs/dbraw/zinc/63/57/37/506635737.db2.gz QRDCSFGIMAEJPU-XLIONFOSSA-N 1 2 351.454 3.039 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000596904907 506667307 /nfs/dbraw/zinc/66/73/07/506667307.db2.gz LJVIUMWDHVQEOJ-UHFFFAOYSA-N 1 2 350.422 3.398 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000609081574 506771547 /nfs/dbraw/zinc/77/15/47/506771547.db2.gz UAQYZZISDCTSFW-UHFFFAOYSA-N 1 2 357.320 3.129 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000604375555 506806224 /nfs/dbraw/zinc/80/62/24/506806224.db2.gz XWYCYIIEMVKPMF-UHFFFAOYSA-N 1 2 363.417 3.376 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000597182965 506820410 /nfs/dbraw/zinc/82/04/10/506820410.db2.gz GUHAYGMBTLCKFW-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO CC(C)Oc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609265081 506828663 /nfs/dbraw/zinc/82/86/63/506828663.db2.gz TYDYVAHNFYEZPQ-UHFFFAOYSA-N 1 2 363.461 3.303 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000593992579 506870103 /nfs/dbraw/zinc/87/01/03/506870103.db2.gz CERAENJMZGNXCT-QGZVFWFLSA-N 1 2 365.452 3.220 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597276062 506873260 /nfs/dbraw/zinc/87/32/60/506873260.db2.gz BSRKGIKRYPBCOH-UHFFFAOYSA-N 1 2 371.387 3.229 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000609564628 506922997 /nfs/dbraw/zinc/92/29/97/506922997.db2.gz FOCPHANMTAREKF-HXUWFJFHSA-N 1 2 355.869 3.063 20 30 FGEDLO CC(C)(C)c1ccc(C#N)c(N(CC[NH+]2CCOCC2)Cc2ccco2)n1 ZINC000590737832 506931235 /nfs/dbraw/zinc/93/12/35/506931235.db2.gz CIOQYJGEOKBFNY-UHFFFAOYSA-N 1 2 368.481 3.183 20 30 FGEDLO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CC#N)C2=O)ccc1Br ZINC000613261892 506997825 /nfs/dbraw/zinc/99/78/25/506997825.db2.gz RGFWVHIJWIYJOG-IUODEOHRSA-N 1 2 350.260 3.145 20 30 FGEDLO Cc1cc(N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000613266774 506999320 /nfs/dbraw/zinc/99/93/20/506999320.db2.gz IBYOVYZPCKETRG-GOSISDBHSA-N 1 2 351.429 3.188 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000613351725 507045444 /nfs/dbraw/zinc/04/54/44/507045444.db2.gz CAQVHVHYWXUNQK-CRAIPNDOSA-N 1 2 358.486 3.178 20 30 FGEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000600679504 507061877 /nfs/dbraw/zinc/06/18/77/507061877.db2.gz XJXRQMNSOKVNHQ-UHFFFAOYSA-N 1 2 358.445 3.192 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000594356249 507091463 /nfs/dbraw/zinc/09/14/63/507091463.db2.gz STFAHQVHMAFGIM-GFCCVEGCSA-N 1 2 370.762 3.298 20 30 FGEDLO Cc1cccc([C@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)c1 ZINC000610129240 507108577 /nfs/dbraw/zinc/10/85/77/507108577.db2.gz MODGTHBWSAFEKB-NRFANRHFSA-N 1 2 373.460 3.295 20 30 FGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000610161018 507119667 /nfs/dbraw/zinc/11/96/67/507119667.db2.gz IZGLGTGINOENDQ-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000584080346 507140123 /nfs/dbraw/zinc/14/01/23/507140123.db2.gz YFZANPDHTHKYMV-UHFFFAOYSA-N 1 2 374.897 3.424 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000584080346 507140128 /nfs/dbraw/zinc/14/01/28/507140128.db2.gz YFZANPDHTHKYMV-UHFFFAOYSA-N 1 2 374.897 3.424 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000610246016 507157887 /nfs/dbraw/zinc/15/78/87/507157887.db2.gz NJTQXCJCLAKALJ-UHFFFAOYSA-N 1 2 365.387 3.414 20 30 FGEDLO C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540027 507175990 /nfs/dbraw/zinc/17/59/90/507175990.db2.gz OCLJIOXQNAPJFT-RYGJVYDSSA-N 1 2 369.509 3.248 20 30 FGEDLO CCOC(=O)CCc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000601155972 507281179 /nfs/dbraw/zinc/28/11/79/507281179.db2.gz JESFVGMONLOFGQ-SFHVURJKSA-N 1 2 350.422 3.252 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601371240 507347144 /nfs/dbraw/zinc/34/71/44/507347144.db2.gz DMSXBUJMQKSZTD-CVEARBPZSA-N 1 2 361.848 3.424 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601371240 507347150 /nfs/dbraw/zinc/34/71/50/507347150.db2.gz DMSXBUJMQKSZTD-CVEARBPZSA-N 1 2 361.848 3.424 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000584478870 507367801 /nfs/dbraw/zinc/36/78/01/507367801.db2.gz DMSPZJUGRMQCOQ-HUUCEWRRSA-N 1 2 364.371 3.400 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000591855087 507392319 /nfs/dbraw/zinc/39/23/19/507392319.db2.gz XUSOMMRDXVBTMB-RTBURBONSA-N 1 2 370.836 3.306 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000591855087 507392324 /nfs/dbraw/zinc/39/23/24/507392324.db2.gz XUSOMMRDXVBTMB-RTBURBONSA-N 1 2 370.836 3.306 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CCc4cc(C#N)ccc43)cn21 ZINC000592019041 507453731 /nfs/dbraw/zinc/45/37/31/507453731.db2.gz NGBMDQWXXFKMGW-IBGZPJMESA-N 1 2 359.433 3.044 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)ccn1 ZINC000610994595 507470614 /nfs/dbraw/zinc/47/06/14/507470614.db2.gz WHLIHQYAVJRAMY-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000584722193 507471043 /nfs/dbraw/zinc/47/10/43/507471043.db2.gz JOXILJBKLASMDM-HNNXBMFYSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000584722193 507471045 /nfs/dbraw/zinc/47/10/45/507471045.db2.gz JOXILJBKLASMDM-HNNXBMFYSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000592121879 507490604 /nfs/dbraw/zinc/49/06/04/507490604.db2.gz JQMGSFWYAZSPGG-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000592121879 507490609 /nfs/dbraw/zinc/49/06/09/507490609.db2.gz JQMGSFWYAZSPGG-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148662 507509532 /nfs/dbraw/zinc/50/95/32/507509532.db2.gz YOTQUXJZELDJBF-GOSISDBHSA-N 1 2 362.426 3.068 20 30 FGEDLO CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148662 507509539 /nfs/dbraw/zinc/50/95/39/507509539.db2.gz YOTQUXJZELDJBF-GOSISDBHSA-N 1 2 362.426 3.068 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000592155736 507512876 /nfs/dbraw/zinc/51/28/76/507512876.db2.gz AGMRMZFVLJXAFL-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000592155736 507512882 /nfs/dbraw/zinc/51/28/82/507512882.db2.gz AGMRMZFVLJXAFL-VFNWGFHPSA-N 1 2 367.424 3.488 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158043 507514543 /nfs/dbraw/zinc/51/45/43/507514543.db2.gz VIXPLOWOKFAFSU-OAHLLOKOSA-N 1 2 371.481 3.329 20 30 FGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000611194713 507556418 /nfs/dbraw/zinc/55/64/18/507556418.db2.gz CMGWQAKCQWGFND-OAHLLOKOSA-N 1 2 355.219 3.078 20 30 FGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000611194713 507556425 /nfs/dbraw/zinc/55/64/25/507556425.db2.gz CMGWQAKCQWGFND-OAHLLOKOSA-N 1 2 355.219 3.078 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180613 507550480 /nfs/dbraw/zinc/55/04/80/507550480.db2.gz ZWRWTZKPVJIKJD-STQMWFEESA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180613 507550486 /nfs/dbraw/zinc/55/04/86/507550486.db2.gz ZWRWTZKPVJIKJD-STQMWFEESA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611260041 507587591 /nfs/dbraw/zinc/58/75/91/507587591.db2.gz ILSHDDJVNXTKTG-CZUORRHYSA-N 1 2 352.438 3.462 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000595609163 507587808 /nfs/dbraw/zinc/58/78/08/507587808.db2.gz HHMLVGDDUAPXBM-INIZCTEOSA-N 1 2 353.388 3.203 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000595609163 507587819 /nfs/dbraw/zinc/58/78/19/507587819.db2.gz HHMLVGDDUAPXBM-INIZCTEOSA-N 1 2 353.388 3.203 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595611259 507589324 /nfs/dbraw/zinc/58/93/24/507589324.db2.gz IMIVUBSXAWTKMW-DLBZAZTESA-N 1 2 370.497 3.121 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595611259 507589334 /nfs/dbraw/zinc/58/93/34/507589334.db2.gz IMIVUBSXAWTKMW-DLBZAZTESA-N 1 2 370.497 3.121 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1C ZINC000595618122 507594591 /nfs/dbraw/zinc/59/45/91/507594591.db2.gz LUMZXJJBVIJRTM-OAQYLSRUSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1C ZINC000595618122 507594595 /nfs/dbraw/zinc/59/45/95/507594595.db2.gz LUMZXJJBVIJRTM-OAQYLSRUSA-N 1 2 355.482 3.051 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602166027 507611588 /nfs/dbraw/zinc/61/15/88/507611588.db2.gz JAJHFQBRCHWLMW-IUODEOHRSA-N 1 2 350.344 3.468 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000595654814 507615814 /nfs/dbraw/zinc/61/58/14/507615814.db2.gz YDMILSNYPLMJFQ-KRWDZBQOSA-N 1 2 358.511 3.312 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712397 507643373 /nfs/dbraw/zinc/64/33/73/507643373.db2.gz GOFRFZGCSGSJDD-FQEVSTJZSA-N 1 2 368.506 3.223 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712397 507643380 /nfs/dbraw/zinc/64/33/80/507643380.db2.gz GOFRFZGCSGSJDD-FQEVSTJZSA-N 1 2 368.506 3.223 20 30 FGEDLO N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000611408854 507668217 /nfs/dbraw/zinc/66/82/17/507668217.db2.gz WAUPYQZIPSSOKC-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595760816 507671344 /nfs/dbraw/zinc/67/13/44/507671344.db2.gz UAOLMWHEAQIBBH-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595760816 507671350 /nfs/dbraw/zinc/67/13/50/507671350.db2.gz UAOLMWHEAQIBBH-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(=O)c4sccc4[nH]3)CCOCC2)c1 ZINC000595765738 507674727 /nfs/dbraw/zinc/67/47/27/507674727.db2.gz WYTDTBVPLAKFCC-UHFFFAOYSA-N 1 2 366.446 3.064 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)c(F)c1 ZINC000611462795 507692340 /nfs/dbraw/zinc/69/23/40/507692340.db2.gz ZRHDHJWPYOWMDK-UHFFFAOYSA-N 1 2 356.470 3.355 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCc1cscn1 ZINC000328639425 523083878 /nfs/dbraw/zinc/08/38/78/523083878.db2.gz PMADSJUAYDDIEA-JSGCOSHPSA-N 1 2 368.503 3.163 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCc1cscn1 ZINC000328639425 523083890 /nfs/dbraw/zinc/08/38/90/523083890.db2.gz PMADSJUAYDDIEA-JSGCOSHPSA-N 1 2 368.503 3.163 20 30 FGEDLO C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000479981692 561200587 /nfs/dbraw/zinc/20/05/87/561200587.db2.gz GNLVRLZFTNRIRJ-HOTGVXAUSA-N 1 2 367.497 3.005 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801072 606452407 /nfs/dbraw/zinc/45/24/07/606452407.db2.gz DMKDIROAGPEMDB-PKOBYXMFSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822801072 606452408 /nfs/dbraw/zinc/45/24/08/606452408.db2.gz DMKDIROAGPEMDB-PKOBYXMFSA-N 1 2 362.412 3.278 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000106067308 700506291 /nfs/dbraw/zinc/50/62/91/700506291.db2.gz YSHOQDDCVJBYIJ-LBPRGKRZSA-N 1 2 356.813 3.070 20 30 FGEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000108524822 700526646 /nfs/dbraw/zinc/52/66/46/700526646.db2.gz LCFIKXCKNMLWQP-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000124709326 700723906 /nfs/dbraw/zinc/72/39/06/700723906.db2.gz IZSSPXDDONBSBB-UHFFFAOYSA-N 1 2 372.332 3.046 20 30 FGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1=S ZINC000172970050 705440282 /nfs/dbraw/zinc/44/02/82/705440282.db2.gz DWCZTYFZEVSQGK-SFHVURJKSA-N 1 2 358.511 3.405 20 30 FGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1=S ZINC000172970050 705440285 /nfs/dbraw/zinc/44/02/85/705440285.db2.gz DWCZTYFZEVSQGK-SFHVURJKSA-N 1 2 358.511 3.405 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180566866 705747787 /nfs/dbraw/zinc/74/77/87/705747787.db2.gz KDUQWJMZJGDEFX-SJORKVTESA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180566866 705747790 /nfs/dbraw/zinc/74/77/90/705747790.db2.gz KDUQWJMZJGDEFX-SJORKVTESA-N 1 2 351.853 3.327 20 30 FGEDLO C=C(Br)C[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000226717155 713572622 /nfs/dbraw/zinc/57/26/22/713572622.db2.gz IPDKBZKWEUSMSS-UHFFFAOYSA-N 1 2 363.049 3.234 20 30 FGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(F)c3)c[nH+]c12 ZINC000255590039 713701425 /nfs/dbraw/zinc/70/14/25/713701425.db2.gz UKFXVVVTKCQKMM-SREVYHEPSA-N 1 2 358.394 3.081 20 30 FGEDLO C[C@@H]1SCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[C@H]1C ZINC000329505723 713830045 /nfs/dbraw/zinc/83/00/45/713830045.db2.gz HKUVSYYQWPNXPX-MELADBBJSA-N 1 2 350.532 3.235 20 30 FGEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330070087 713833854 /nfs/dbraw/zinc/83/38/54/713833854.db2.gz WSZMESYQSNRPIW-KGLIPLIRSA-N 1 2 350.532 3.237 20 30 FGEDLO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1Br ZINC000615808205 714550472 /nfs/dbraw/zinc/55/04/72/714550472.db2.gz CBKICQGGNIBVEK-UHFFFAOYSA-N 1 2 374.238 3.340 20 30 FGEDLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000617098428 714628916 /nfs/dbraw/zinc/62/89/16/714628916.db2.gz ZNCOZRCJCQDZTH-PXAZEXFGSA-N 1 2 354.479 3.083 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)nn1 ZINC000623799220 715405474 /nfs/dbraw/zinc/40/54/74/715405474.db2.gz SGUKFQVIRYIYGW-INIZCTEOSA-N 1 2 355.269 3.374 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000779162155 724397060 /nfs/dbraw/zinc/39/70/60/724397060.db2.gz UXIHENFQZZWGQP-MRXNPFEDSA-N 1 2 361.791 3.487 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1Cc2ccc(Br)cc2C1=O ZINC000802726605 724402289 /nfs/dbraw/zinc/40/22/89/724402289.db2.gz ZOKXULXCBFLBII-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)CN1Cc2ccc(Br)cc2C1=O ZINC000802726605 724402290 /nfs/dbraw/zinc/40/22/90/724402290.db2.gz ZOKXULXCBFLBII-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)nc1 ZINC000780557528 724479269 /nfs/dbraw/zinc/47/92/69/724479269.db2.gz YUWUBZRDBNLBGQ-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccc(Br)cc2)nn1 ZINC000653489957 719047429 /nfs/dbraw/zinc/04/74/29/719047429.db2.gz NATRYWPERVUHSW-UHFFFAOYSA-N 1 2 365.275 3.128 20 30 FGEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccc(Br)cc2)nn1 ZINC000653489957 719047431 /nfs/dbraw/zinc/04/74/31/719047431.db2.gz NATRYWPERVUHSW-UHFFFAOYSA-N 1 2 365.275 3.128 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662053992 720365687 /nfs/dbraw/zinc/36/56/87/720365687.db2.gz BZMSIRBVWMIOKA-WFASDCNBSA-N 1 2 357.281 3.206 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[C@H](C)COC ZINC000664319164 720624088 /nfs/dbraw/zinc/62/40/88/720624088.db2.gz FODRPHPJXYDCQS-LSDHHAIUSA-N 1 2 366.531 3.430 20 30 FGEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[C@H](C)COC ZINC000664319164 720624097 /nfs/dbraw/zinc/62/40/97/720624097.db2.gz FODRPHPJXYDCQS-LSDHHAIUSA-N 1 2 366.531 3.430 20 30 FGEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782949814 724711826 /nfs/dbraw/zinc/71/18/26/724711826.db2.gz MSUSNVKVIOYBQK-UHFFFAOYSA-N 1 2 363.211 3.073 20 30 FGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000726426283 722434064 /nfs/dbraw/zinc/43/40/64/722434064.db2.gz MKIPDYXYAMPIMX-UHFFFAOYSA-N 1 2 353.394 3.195 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309167 722514911 /nfs/dbraw/zinc/51/49/11/722514911.db2.gz HRPRBNNVYGZAKB-OAHLLOKOSA-N 1 2 365.861 3.341 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309167 722514912 /nfs/dbraw/zinc/51/49/12/722514912.db2.gz HRPRBNNVYGZAKB-OAHLLOKOSA-N 1 2 365.861 3.341 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc(Br)ccc2oc1=O ZINC000749942052 722748790 /nfs/dbraw/zinc/74/87/90/722748790.db2.gz SPVBOEBFZZWXFT-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc(Br)ccc2oc1=O ZINC000749942052 722748791 /nfs/dbraw/zinc/74/87/91/722748791.db2.gz SPVBOEBFZZWXFT-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000751528918 722811887 /nfs/dbraw/zinc/81/18/87/722811887.db2.gz MVFIPZWZXFAHKX-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000751528918 722811890 /nfs/dbraw/zinc/81/18/90/722811890.db2.gz MVFIPZWZXFAHKX-OAHLLOKOSA-N 1 2 357.479 3.010 20 30 FGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000756542331 722966518 /nfs/dbraw/zinc/96/65/18/722966518.db2.gz HMYSDPCJLCDLKH-OAHLLOKOSA-N 1 2 356.447 3.073 20 30 FGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000756542331 722966519 /nfs/dbraw/zinc/96/65/19/722966519.db2.gz HMYSDPCJLCDLKH-OAHLLOKOSA-N 1 2 356.447 3.073 20 30 FGEDLO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794622749 723536327 /nfs/dbraw/zinc/53/63/27/723536327.db2.gz FGCZYSLTMFIZCP-QGZVFWFLSA-N 1 2 355.511 3.238 20 30 FGEDLO Cc1ccc(C[C@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794622749 723536330 /nfs/dbraw/zinc/53/63/30/723536330.db2.gz FGCZYSLTMFIZCP-QGZVFWFLSA-N 1 2 355.511 3.238 20 30 FGEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109316 723988547 /nfs/dbraw/zinc/98/85/47/723988547.db2.gz CMGHFUOEAFURKD-UHFFFAOYSA-N 1 2 350.176 3.171 20 30 FGEDLO CCC(=NNCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1O ZINC000799488773 724034199 /nfs/dbraw/zinc/03/41/99/724034199.db2.gz JDYDOFVZWVSVRJ-UHFFFAOYSA-N 1 2 360.285 3.125 20 30 FGEDLO CN(C)c1cc[nH+]cc1C=Nn1c(=S)[nH]nc1SCc1ccccc1 ZINC000776186346 724117125 /nfs/dbraw/zinc/11/71/25/724117125.db2.gz XLFUVQBLKDJRDD-UHFFFAOYSA-N 1 2 370.507 3.202 20 30 FGEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777962109 724276149 /nfs/dbraw/zinc/27/61/49/724276149.db2.gz BWRSKBWSDNCGCE-MRXNPFEDSA-N 1 2 356.253 3.226 20 30 FGEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777962109 724276150 /nfs/dbraw/zinc/27/61/50/724276150.db2.gz BWRSKBWSDNCGCE-MRXNPFEDSA-N 1 2 356.253 3.226 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000778165551 724305434 /nfs/dbraw/zinc/30/54/34/724305434.db2.gz RZHMXFWLOBPGNQ-UHFFFAOYSA-N 1 2 363.866 3.045 20 30 FGEDLO c1ccc(-c2nnc(N=NC3CCN(c4cccc[nH+]4)CC3)s2)nc1 ZINC000788031139 725042028 /nfs/dbraw/zinc/04/20/28/725042028.db2.gz WANMDCKRKDTUQO-UHFFFAOYSA-N 1 2 351.439 3.063 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156893 725154728 /nfs/dbraw/zinc/15/47/28/725154728.db2.gz NLGNVYHYORPDBW-QZTJIDSGSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000807156893 725154729 /nfs/dbraw/zinc/15/47/29/725154729.db2.gz NLGNVYHYORPDBW-QZTJIDSGSA-N 1 2 357.816 3.031 20 30 FGEDLO N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000808319772 725193998 /nfs/dbraw/zinc/19/39/98/725193998.db2.gz JGFIZRPLUAPJPQ-UHFFFAOYSA-N 1 2 373.821 3.224 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC1CCCC1 ZINC000819473934 727378058 /nfs/dbraw/zinc/37/80/58/727378058.db2.gz SRYVIUKSSGVPAT-OAHLLOKOSA-N 1 2 351.878 3.280 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(Cl)ccc1OC1CCCC1 ZINC000819473934 727378059 /nfs/dbraw/zinc/37/80/59/727378059.db2.gz SRYVIUKSSGVPAT-OAHLLOKOSA-N 1 2 351.878 3.280 20 30 FGEDLO Fc1cccc(F)c1-c1ncc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)s1 ZINC000834966679 729848438 /nfs/dbraw/zinc/84/84/38/729848438.db2.gz REAVALRICBMXCF-ZIAGYGMSSA-N 1 2 361.421 3.282 20 30 FGEDLO C#CC1CC[NH+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)CC1 ZINC000842634420 730522649 /nfs/dbraw/zinc/52/26/49/730522649.db2.gz WQPDZJKCHZKOGV-UHFFFAOYSA-N 1 2 359.543 3.288 20 30 FGEDLO C[C@H](CC(=O)OCC#Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000845282250 730827091 /nfs/dbraw/zinc/82/70/91/730827091.db2.gz MWMQQSGXSSVABL-CYBMUJFWSA-N 1 2 352.312 3.328 20 30 FGEDLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1C#N ZINC000854413248 731825842 /nfs/dbraw/zinc/82/58/42/731825842.db2.gz ZXTNFUIXJPMHAH-UHFFFAOYSA-N 1 2 354.479 3.101 20 30 FGEDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C#N)COC)c1cccc(C(F)(F)F)c1 ZINC000857067458 732099697 /nfs/dbraw/zinc/09/96/97/732099697.db2.gz LZLHBCXVRQJOSJ-GJZGRUSLSA-N 1 2 358.360 3.170 20 30 FGEDLO FC(F)(F)c1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000863181563 732920732 /nfs/dbraw/zinc/92/07/32/732920732.db2.gz NJXWDVQMWYDUAE-UHFFFAOYSA-N 1 2 350.344 3.383 20 30 FGEDLO N#Cc1sc(NCc2cc[nH+]c(N3CCSCC3)c2)nc1Cl ZINC000866086668 733310240 /nfs/dbraw/zinc/31/02/40/733310240.db2.gz IKRSWUQXXWETJK-UHFFFAOYSA-N 1 2 351.888 3.228 20 30 FGEDLO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000876893073 736159032 /nfs/dbraw/zinc/15/90/32/736159032.db2.gz HWOJIMVSHIACLX-CABCVRRESA-N 1 2 365.909 3.028 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2c3c(sc2=O)C[C@H](C(C)(C)C)CC3)CC1 ZINC000884478430 737666985 /nfs/dbraw/zinc/66/69/85/737666985.db2.gz AZDZHHJAWNMYQJ-OAHLLOKOSA-N 1 2 364.555 3.421 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)s1 ZINC000901001418 743213232 /nfs/dbraw/zinc/21/32/32/743213232.db2.gz WDEBIUPHYVNKCO-UHFFFAOYSA-N 1 2 370.931 3.495 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccsc3C#N)CC2)c1 ZINC000906569806 744144042 /nfs/dbraw/zinc/14/40/42/744144042.db2.gz NLDGPXPUHIRMCC-CQSZACIVSA-N 1 2 355.463 3.147 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000917028251 758169064 /nfs/dbraw/zinc/16/90/64/758169064.db2.gz OMIPQMMGDRCTLE-IIDMSEBBSA-N 1 2 355.511 3.495 20 30 FGEDLO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)c(OC)n1 ZINC000922141442 758858170 /nfs/dbraw/zinc/85/81/70/758858170.db2.gz SQYHDIWPPZVBAF-UHFFFAOYSA-N 1 2 362.227 3.023 20 30 FGEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)nn1 ZINC000930279468 760569346 /nfs/dbraw/zinc/56/93/46/760569346.db2.gz RGLJNKCRRFVYRC-LJQANCHMSA-N 1 2 355.873 3.129 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911629 761001753 /nfs/dbraw/zinc/00/17/53/761001753.db2.gz ZGXVHMAQOWYGKS-LLVKDONJSA-N 1 2 364.305 3.154 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911629 761001763 /nfs/dbraw/zinc/00/17/63/761001763.db2.gz ZGXVHMAQOWYGKS-LLVKDONJSA-N 1 2 364.305 3.154 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)C2(C#N)CCSCC2)c1)[NH+]1CCOCC1 ZINC000931999041 761027940 /nfs/dbraw/zinc/02/79/40/761027940.db2.gz CUUGRIVSDFDPKR-HNNXBMFYSA-N 1 2 359.495 3.055 20 30 FGEDLO FC1(F)[C@@H]2C[NH+](Cc3ccno3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932948052 761283503 /nfs/dbraw/zinc/28/35/03/761283503.db2.gz JCUDFPQKFVEBGU-HTQZYQBOSA-N 1 2 350.209 3.277 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001007519179 765602907 /nfs/dbraw/zinc/60/29/07/765602907.db2.gz KHKUNJUPDHWVEQ-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001007519179 765602914 /nfs/dbraw/zinc/60/29/14/765602914.db2.gz KHKUNJUPDHWVEQ-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001008558614 765675924 /nfs/dbraw/zinc/67/59/24/765675924.db2.gz KMPUQVDNALDACX-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001008558614 765675927 /nfs/dbraw/zinc/67/59/27/765675927.db2.gz KMPUQVDNALDACX-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001009574220 765748263 /nfs/dbraw/zinc/74/82/63/765748263.db2.gz WFKWKZRHXSIOBE-AEGPPILISA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001009574220 765748267 /nfs/dbraw/zinc/74/82/67/765748267.db2.gz WFKWKZRHXSIOBE-AEGPPILISA-N 1 2 354.828 3.401 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1CCC2 ZINC001028038976 766110319 /nfs/dbraw/zinc/11/03/19/766110319.db2.gz DZIXOCMVPRJSOS-LVCYWYKZSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@]12C[C@H]1CCC2 ZINC001028038976 766110326 /nfs/dbraw/zinc/11/03/26/766110326.db2.gz DZIXOCMVPRJSOS-LVCYWYKZSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC001031680297 766182564 /nfs/dbraw/zinc/18/25/64/766182564.db2.gz ZRMFURAERLBLQF-QAPCUYQASA-N 1 2 366.864 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2c(Cl)cccc2Cl)C1 ZINC001031988639 766189835 /nfs/dbraw/zinc/18/98/35/766189835.db2.gz HTDVWPRKZIRTDW-DYVFJYSZSA-N 1 2 369.292 3.133 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033101880 766206663 /nfs/dbraw/zinc/20/66/63/766206663.db2.gz LDQJHVYGNHQGAA-QKPAOTATSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033101880 766206666 /nfs/dbraw/zinc/20/66/66/766206666.db2.gz LDQJHVYGNHQGAA-QKPAOTATSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033497246 766221046 /nfs/dbraw/zinc/22/10/46/766221046.db2.gz SVFAHPREAQWPLZ-DZKIICNBSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033497246 766221047 /nfs/dbraw/zinc/22/10/47/766221047.db2.gz SVFAHPREAQWPLZ-DZKIICNBSA-N 1 2 361.313 3.209 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038244945 766268038 /nfs/dbraw/zinc/26/80/38/766268038.db2.gz FNPWDPTZTIHVTE-IAOVAPTHSA-N 1 2 371.531 3.484 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038244945 766268044 /nfs/dbraw/zinc/26/80/44/766268044.db2.gz FNPWDPTZTIHVTE-IAOVAPTHSA-N 1 2 371.531 3.484 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001046508482 766594031 /nfs/dbraw/zinc/59/40/31/766594031.db2.gz SJUYNDFPUBGICE-NSHGMRRFSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001046508482 766594032 /nfs/dbraw/zinc/59/40/32/766594032.db2.gz SJUYNDFPUBGICE-NSHGMRRFSA-N 1 2 361.917 3.189 20 30 FGEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2C2CC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046689976 766604544 /nfs/dbraw/zinc/60/45/44/766604544.db2.gz PWHPYBLLUPABJL-WAOWUJCRSA-N 1 2 356.897 3.318 20 30 FGEDLO C[C@@]1(NC(=O)[C@@H]2C[C@H]2C2CC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046689976 766604550 /nfs/dbraw/zinc/60/45/50/766604550.db2.gz PWHPYBLLUPABJL-WAOWUJCRSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1sccc1C)O2 ZINC001053598958 766985541 /nfs/dbraw/zinc/98/55/41/766985541.db2.gz IYPWAJXJWZXXSU-BRWVUGGUSA-N 1 2 360.523 3.086 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](C/C=C\Cl)C2 ZINC001054265744 767002874 /nfs/dbraw/zinc/00/28/74/767002874.db2.gz WCJKHFHQQLGEOZ-CIWFJCTISA-N 1 2 360.885 3.352 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](C/C=C\Cl)C2 ZINC001054265744 767002884 /nfs/dbraw/zinc/00/28/84/767002884.db2.gz WCJKHFHQQLGEOZ-CIWFJCTISA-N 1 2 360.885 3.352 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3ncnc4sccc43)CC2)cn2ccccc12 ZINC000125004808 132249409 /nfs/dbraw/zinc/24/94/09/132249409.db2.gz HMPZNVJYWSWYIA-UHFFFAOYSA-N 1 2 374.473 3.138 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000567998421 505593807 /nfs/dbraw/zinc/59/38/07/505593807.db2.gz NKNPJVQZNAERIY-INIZCTEOSA-N 1 2 352.438 3.287 20 30 FGEDLO C[C@H](CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1 ZINC000570970057 505623123 /nfs/dbraw/zinc/62/31/23/505623123.db2.gz HGJRKTBZLBLIIO-BXUZGUMPSA-N 1 2 352.316 3.114 20 30 FGEDLO CCn1c2ccccc2c2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000577171844 505679666 /nfs/dbraw/zinc/67/96/66/505679666.db2.gz DIMFGTZQDHZPNC-QGZVFWFLSA-N 1 2 350.466 3.433 20 30 FGEDLO CCn1c2ccccc2c2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000577171844 505679671 /nfs/dbraw/zinc/67/96/71/505679671.db2.gz DIMFGTZQDHZPNC-QGZVFWFLSA-N 1 2 350.466 3.433 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000048254775 493808307 /nfs/dbraw/zinc/80/83/07/493808307.db2.gz UEWYPIAETQIXCX-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000057874506 493811608 /nfs/dbraw/zinc/81/16/08/493811608.db2.gz LRNXMLWZGOOGEA-UHFFFAOYSA-N 1 2 363.461 3.117 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1cccc(OCC#N)c1 ZINC000048509456 493834131 /nfs/dbraw/zinc/83/41/31/493834131.db2.gz OHEDKMRMFJKQOS-UHFFFAOYSA-N 1 2 363.421 3.459 20 30 FGEDLO Cc1cc(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000029843406 493861216 /nfs/dbraw/zinc/86/12/16/493861216.db2.gz VQXQZMTZGZEILT-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007017582 493994261 /nfs/dbraw/zinc/99/42/61/493994261.db2.gz XNBOJRVYSJYQBK-DNVCBOLYSA-N 1 2 356.495 3.488 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007017582 493994264 /nfs/dbraw/zinc/99/42/64/493994264.db2.gz XNBOJRVYSJYQBK-DNVCBOLYSA-N 1 2 356.495 3.488 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@@H](C)O1 ZINC000077190781 494029808 /nfs/dbraw/zinc/02/98/08/494029808.db2.gz MPXZPWKSUBUNBG-ZIAGYGMSSA-N 1 2 360.421 3.254 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000053509740 494140436 /nfs/dbraw/zinc/14/04/36/494140436.db2.gz WOFLVWHILFHXFL-MRXNPFEDSA-N 1 2 364.449 3.027 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)nc12 ZINC000072898205 494278154 /nfs/dbraw/zinc/27/81/54/494278154.db2.gz WAFOYRFWDUDILQ-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)nc12 ZINC000072898205 494278159 /nfs/dbraw/zinc/27/81/59/494278159.db2.gz WAFOYRFWDUDILQ-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000072898092 494278252 /nfs/dbraw/zinc/27/82/52/494278252.db2.gz JCAMBHAMJYSJQJ-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000072898092 494278257 /nfs/dbraw/zinc/27/82/57/494278257.db2.gz JCAMBHAMJYSJQJ-PMACEKPBSA-N 1 2 358.445 3.275 20 30 FGEDLO CC(C)c1csc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000043601660 494307089 /nfs/dbraw/zinc/30/70/89/494307089.db2.gz IIKAPIDBDFMLCK-UHFFFAOYSA-N 1 2 369.494 3.488 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1C ZINC000078585877 494324755 /nfs/dbraw/zinc/32/47/55/494324755.db2.gz KNLLVSQOAYXTBG-UHFFFAOYSA-N 1 2 371.525 3.198 20 30 FGEDLO Cc1ccc(-c2nc(CN(CCC#N)CC[NH+]3CCOCC3)cs2)cc1 ZINC000078686788 494343852 /nfs/dbraw/zinc/34/38/52/494343852.db2.gz VJBKHJUNOGDJIM-UHFFFAOYSA-N 1 2 370.522 3.166 20 30 FGEDLO CCc1sc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000017842974 494418153 /nfs/dbraw/zinc/41/81/53/494418153.db2.gz VTJXTLDORRMHMQ-UHFFFAOYSA-N 1 2 353.491 3.449 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850894 494425362 /nfs/dbraw/zinc/42/53/62/494425362.db2.gz HUCRHAZSEIZSDT-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850894 494425367 /nfs/dbraw/zinc/42/53/67/494425367.db2.gz HUCRHAZSEIZSDT-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#CCCCOc1cccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c1 ZINC000091064462 494522390 /nfs/dbraw/zinc/52/23/90/494522390.db2.gz BKWLOYPHADWIQX-UHFFFAOYSA-N 1 2 366.465 3.337 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000056864098 494578954 /nfs/dbraw/zinc/57/89/54/494578954.db2.gz NVJAUNIZUAKNPO-UHFFFAOYSA-N 1 2 354.454 3.054 20 30 FGEDLO N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000047139095 494640847 /nfs/dbraw/zinc/64/08/47/494640847.db2.gz FWEWVCFNLXGAOM-UHFFFAOYSA-N 1 2 371.444 3.096 20 30 FGEDLO C=CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646293 494693634 /nfs/dbraw/zinc/69/36/34/494693634.db2.gz ZLMSVVFFUNEEIB-UHFFFAOYSA-N 1 2 351.410 3.443 20 30 FGEDLO C=CC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646293 494693640 /nfs/dbraw/zinc/69/36/40/494693640.db2.gz ZLMSVVFFUNEEIB-UHFFFAOYSA-N 1 2 351.410 3.443 20 30 FGEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cnc21 ZINC000121385375 494731201 /nfs/dbraw/zinc/73/12/01/494731201.db2.gz WHVMCKZFKGVOCC-NRFANRHFSA-N 1 2 374.492 3.395 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc(OC)c1O ZINC000092789538 494748733 /nfs/dbraw/zinc/74/87/33/494748733.db2.gz MQRVXEMXIHMQEU-UHFFFAOYSA-N 1 2 368.477 3.153 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108870591 494796359 /nfs/dbraw/zinc/79/63/59/494796359.db2.gz RQXIPOFSGHDLDL-CYBMUJFWSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108870591 494796362 /nfs/dbraw/zinc/79/63/62/494796362.db2.gz RQXIPOFSGHDLDL-CYBMUJFWSA-N 1 2 364.294 3.047 20 30 FGEDLO N#Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000126616888 494803324 /nfs/dbraw/zinc/80/33/24/494803324.db2.gz JKPWJBKDMIVVSX-UHFFFAOYSA-N 1 2 367.405 3.488 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(F)cc4)CC3)o2)cc1 ZINC000075621972 494804227 /nfs/dbraw/zinc/80/42/27/494804227.db2.gz RRHWSBJYSKFHGT-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[C@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026296451 494815945 /nfs/dbraw/zinc/81/59/45/494815945.db2.gz CHVQRYGOHJZLRB-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026328457 494818974 /nfs/dbraw/zinc/81/89/74/494818974.db2.gz RTFZTBMMHWQIFM-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(OC)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026328457 494818977 /nfs/dbraw/zinc/81/89/77/494818977.db2.gz RTFZTBMMHWQIFM-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO O=C(C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)NCc1ccccc1F ZINC000117353305 494913337 /nfs/dbraw/zinc/91/33/37/494913337.db2.gz LJVHHTBSPKVGMJ-UHFFFAOYSA-N 1 2 372.284 3.259 20 30 FGEDLO O=C(C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)NCc1ccccc1F ZINC000117353305 494913341 /nfs/dbraw/zinc/91/33/41/494913341.db2.gz LJVHHTBSPKVGMJ-UHFFFAOYSA-N 1 2 372.284 3.259 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c(F)c1 ZINC000127454406 494947017 /nfs/dbraw/zinc/94/70/17/494947017.db2.gz XSXUHVTWEMUBSQ-UHFFFAOYSA-N 1 2 366.371 3.206 20 30 FGEDLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)c(OC)c1 ZINC000097027604 495020099 /nfs/dbraw/zinc/02/00/99/495020099.db2.gz UAUDSUJUKWGIAQ-UHFFFAOYSA-N 1 2 371.437 3.246 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)c(OC)c1 ZINC000097027604 495020100 /nfs/dbraw/zinc/02/01/00/495020100.db2.gz UAUDSUJUKWGIAQ-UHFFFAOYSA-N 1 2 371.437 3.246 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H](CC)CC#N)c1 ZINC000128108957 495046375 /nfs/dbraw/zinc/04/63/75/495046375.db2.gz IMARIIGZVQDGSX-INIZCTEOSA-N 1 2 367.453 3.097 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H](CC)CC#N)c1 ZINC000128109163 495046571 /nfs/dbraw/zinc/04/65/71/495046571.db2.gz IMARIIGZVQDGSX-MRXNPFEDSA-N 1 2 367.453 3.097 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000122933636 495055500 /nfs/dbraw/zinc/05/55/00/495055500.db2.gz FMZBVJVIWUVQAW-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000111288649 495059223 /nfs/dbraw/zinc/05/92/23/495059223.db2.gz JSYVFONEWCPOSZ-LSDHHAIUSA-N 1 2 361.511 3.112 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000098136713 495060268 /nfs/dbraw/zinc/06/02/68/495060268.db2.gz DPEJNVPMFQWLJR-KRWDZBQOSA-N 1 2 373.840 3.424 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000098136713 495060272 /nfs/dbraw/zinc/06/02/72/495060272.db2.gz DPEJNVPMFQWLJR-KRWDZBQOSA-N 1 2 373.840 3.424 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)cc1 ZINC000128417919 495094231 /nfs/dbraw/zinc/09/42/31/495094231.db2.gz ZZSZLYZAPHVZHT-UHFFFAOYSA-N 1 2 353.422 3.403 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(OC)cc1 ZINC000128417919 495094234 /nfs/dbraw/zinc/09/42/34/495094234.db2.gz ZZSZLYZAPHVZHT-UHFFFAOYSA-N 1 2 353.422 3.403 20 30 FGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000119462067 495171593 /nfs/dbraw/zinc/17/15/93/495171593.db2.gz JWLBPKHLLAEECO-RNODOKPDSA-N 1 2 367.424 3.363 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000103139295 495197088 /nfs/dbraw/zinc/19/70/88/495197088.db2.gz WLUXSZWLNQTCOL-UHFFFAOYSA-N 1 2 350.397 3.177 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129340561 495231562 /nfs/dbraw/zinc/23/15/62/495231562.db2.gz DRVARVCFWKUNCA-CRAIPNDOSA-N 1 2 355.438 3.180 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000129501689 495254033 /nfs/dbraw/zinc/25/40/33/495254033.db2.gz FCODRCHBSCLAFR-MRXNPFEDSA-N 1 2 369.465 3.088 20 30 FGEDLO C[C@H]1CCCN(c2cc(N(C)CCOCc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000577675079 505772752 /nfs/dbraw/zinc/77/27/52/505772752.db2.gz GXYNHIGZWBBIFF-KRWDZBQOSA-N 1 2 365.481 3.238 20 30 FGEDLO C[C@H]1CCCN(c2cc(N(C)CCOCc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000577675079 505772754 /nfs/dbraw/zinc/77/27/54/505772754.db2.gz GXYNHIGZWBBIFF-KRWDZBQOSA-N 1 2 365.481 3.238 20 30 FGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000125230907 495410040 /nfs/dbraw/zinc/41/00/40/495410040.db2.gz CGOIBFPERYDOLG-INIZCTEOSA-N 1 2 353.466 3.499 20 30 FGEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000125230907 495410044 /nfs/dbraw/zinc/41/00/44/495410044.db2.gz CGOIBFPERYDOLG-INIZCTEOSA-N 1 2 353.466 3.499 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000137562400 495445585 /nfs/dbraw/zinc/44/55/85/495445585.db2.gz HDWKWXTYTVEIBJ-UHFFFAOYSA-N 1 2 358.445 3.040 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125480208 495451193 /nfs/dbraw/zinc/45/11/93/495451193.db2.gz LJZXOZFKJMUSBL-UHFFFAOYSA-N 1 2 358.408 3.033 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000571665969 505786228 /nfs/dbraw/zinc/78/62/28/505786228.db2.gz LQTAKFBKZRVZLE-CZUORRHYSA-N 1 2 369.490 3.017 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176256697 495566527 /nfs/dbraw/zinc/56/65/27/495566527.db2.gz VRHAKOHUXLPNDV-UHFFFAOYSA-N 1 2 370.316 3.095 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176256697 495566529 /nfs/dbraw/zinc/56/65/29/495566529.db2.gz VRHAKOHUXLPNDV-UHFFFAOYSA-N 1 2 370.316 3.095 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000170760679 495593504 /nfs/dbraw/zinc/59/35/04/495593504.db2.gz DEJJNSLWQYAJPR-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000170760679 495593510 /nfs/dbraw/zinc/59/35/10/495593510.db2.gz DEJJNSLWQYAJPR-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185487595 495595267 /nfs/dbraw/zinc/59/52/67/495595267.db2.gz VTXSWRDDJCRTJB-MRXNPFEDSA-N 1 2 371.506 3.386 20 30 FGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c(Br)c1 ZINC000179504204 495617936 /nfs/dbraw/zinc/61/79/36/495617936.db2.gz GBALSBJOQVBBIP-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154603096 495668983 /nfs/dbraw/zinc/66/89/83/495668983.db2.gz PGCGCHFBHQXEOU-SFHVURJKSA-N 1 2 363.383 3.420 20 30 FGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154603096 495668988 /nfs/dbraw/zinc/66/89/88/495668988.db2.gz PGCGCHFBHQXEOU-SFHVURJKSA-N 1 2 363.383 3.420 20 30 FGEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185795606 495728688 /nfs/dbraw/zinc/72/86/88/495728688.db2.gz PMBPHUUMAZAIFP-IBGZPJMESA-N 1 2 354.475 3.169 20 30 FGEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185795606 495728694 /nfs/dbraw/zinc/72/86/94/495728694.db2.gz PMBPHUUMAZAIFP-IBGZPJMESA-N 1 2 354.475 3.169 20 30 FGEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000179847033 495757692 /nfs/dbraw/zinc/75/76/92/495757692.db2.gz NDZZVYZLXHQJFE-WFASDCNBSA-N 1 2 365.499 3.294 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(C#N)cs2)C[C@@H](C)O1 ZINC000176959856 495858421 /nfs/dbraw/zinc/85/84/21/495858421.db2.gz YBGGPCGYZLGWPQ-ZIAGYGMSSA-N 1 2 355.463 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000174355543 495924624 /nfs/dbraw/zinc/92/46/24/495924624.db2.gz GWIANRIQALAYGV-MRXNPFEDSA-N 1 2 351.903 3.414 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000174355543 495924630 /nfs/dbraw/zinc/92/46/30/495924630.db2.gz GWIANRIQALAYGV-MRXNPFEDSA-N 1 2 351.903 3.414 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000577907473 505815888 /nfs/dbraw/zinc/81/58/88/505815888.db2.gz BTWZYKPBGUGPKI-OXQOHEQNSA-N 1 2 353.466 3.401 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171702778 495996132 /nfs/dbraw/zinc/99/61/32/495996132.db2.gz NXCBCFJPUWJQNA-KRWDZBQOSA-N 1 2 369.494 3.451 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000180438476 495996360 /nfs/dbraw/zinc/99/63/60/495996360.db2.gz HBCOMWBDTRULPR-KRWDZBQOSA-N 1 2 372.513 3.134 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000171823922 496052037 /nfs/dbraw/zinc/05/20/37/496052037.db2.gz GCKOYLRYEQCCQA-UHFFFAOYSA-N 1 2 364.449 3.409 20 30 FGEDLO C=CC[C@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC000186726919 496124410 /nfs/dbraw/zinc/12/44/10/496124410.db2.gz UVTVEFOJDABDNM-XLIONFOSSA-N 1 2 365.477 3.283 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000174836214 496127637 /nfs/dbraw/zinc/12/76/37/496127637.db2.gz PYUQNQZQOYPLTJ-UHFFFAOYSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000174836214 496127641 /nfs/dbraw/zinc/12/76/41/496127641.db2.gz PYUQNQZQOYPLTJ-UHFFFAOYSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)n1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000172013155 496129558 /nfs/dbraw/zinc/12/95/58/496129558.db2.gz ZLWORXDESCCZTM-UHFFFAOYSA-N 1 2 360.465 3.206 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152375927 496131485 /nfs/dbraw/zinc/13/14/85/496131485.db2.gz PHSGGHRBZNXUAN-AEFFLSMTSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152375927 496131488 /nfs/dbraw/zinc/13/14/88/496131488.db2.gz PHSGGHRBZNXUAN-AEFFLSMTSA-N 1 2 354.853 3.323 20 30 FGEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000172313380 496249457 /nfs/dbraw/zinc/24/94/57/496249457.db2.gz CDOBEQIKZMFTDV-IFXJQAMLSA-N 1 2 353.853 3.468 20 30 FGEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000172313380 496249459 /nfs/dbraw/zinc/24/94/59/496249459.db2.gz CDOBEQIKZMFTDV-IFXJQAMLSA-N 1 2 353.853 3.468 20 30 FGEDLO COc1ccc(-c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc2C)cc1 ZINC000574694893 505834063 /nfs/dbraw/zinc/83/40/63/505834063.db2.gz SXQALIDRXDZITR-LJQANCHMSA-N 1 2 357.479 3.306 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000156827714 496342620 /nfs/dbraw/zinc/34/26/20/496342620.db2.gz MNANVMBYWQDBQN-ICSRJNTNSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000156827714 496342627 /nfs/dbraw/zinc/34/26/27/496342627.db2.gz MNANVMBYWQDBQN-ICSRJNTNSA-N 1 2 359.491 3.290 20 30 FGEDLO N#Cc1ccccc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172681098 496384814 /nfs/dbraw/zinc/38/48/14/496384814.db2.gz VMKITEDKCXEFMI-UHFFFAOYSA-N 1 2 357.504 3.056 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178372994 496431256 /nfs/dbraw/zinc/43/12/56/496431256.db2.gz MBQQJCXNBSARSQ-HNNXBMFYSA-N 1 2 358.463 3.121 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178372994 496431258 /nfs/dbraw/zinc/43/12/58/496431258.db2.gz MBQQJCXNBSARSQ-HNNXBMFYSA-N 1 2 358.463 3.121 20 30 FGEDLO C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000187427975 496436771 /nfs/dbraw/zinc/43/67/71/496436771.db2.gz RUHLTMSDRMLEQB-UHFFFAOYSA-N 1 2 368.462 3.117 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153487812 496472832 /nfs/dbraw/zinc/47/28/32/496472832.db2.gz MPUJOCXEHFDJDT-UHFFFAOYSA-N 1 2 371.828 3.227 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153487812 496472837 /nfs/dbraw/zinc/47/28/37/496472837.db2.gz MPUJOCXEHFDJDT-UHFFFAOYSA-N 1 2 371.828 3.227 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178534346 496491656 /nfs/dbraw/zinc/49/16/56/496491656.db2.gz VSSBAQDMSFCRAB-HNNXBMFYSA-N 1 2 368.485 3.335 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157982715 496601614 /nfs/dbraw/zinc/60/16/14/496601614.db2.gz QEPDDSPJEJCWCK-INIZCTEOSA-N 1 2 359.445 3.106 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(CCCC2)C1 ZINC000157982715 496601619 /nfs/dbraw/zinc/60/16/19/496601619.db2.gz QEPDDSPJEJCWCK-INIZCTEOSA-N 1 2 359.445 3.106 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000179120154 496682130 /nfs/dbraw/zinc/68/21/30/496682130.db2.gz XQITVFHDUNXSPL-IBGZPJMESA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000179120154 496682139 /nfs/dbraw/zinc/68/21/39/496682139.db2.gz XQITVFHDUNXSPL-IBGZPJMESA-N 1 2 372.465 3.178 20 30 FGEDLO C=CCCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000263957103 496774003 /nfs/dbraw/zinc/77/40/03/496774003.db2.gz COHVUAIAFHRMBR-MRXNPFEDSA-N 1 2 356.388 3.161 20 30 FGEDLO COC(=O)c1sccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962017 496774689 /nfs/dbraw/zinc/77/46/89/496774689.db2.gz QVNRBNCOYSGJHN-UHFFFAOYSA-N 1 2 369.446 3.009 20 30 FGEDLO COC(=O)c1sccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962017 496774694 /nfs/dbraw/zinc/77/46/94/496774694.db2.gz QVNRBNCOYSGJHN-UHFFFAOYSA-N 1 2 369.446 3.009 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000273571184 496843733 /nfs/dbraw/zinc/84/37/33/496843733.db2.gz GCDBNCWUXIKNHR-CQSZACIVSA-N 1 2 357.483 3.061 20 30 FGEDLO C=CCn1c(COc2ccc(C)cc2)nnc1SCc1c[nH+]cn1C ZINC000269005576 496846767 /nfs/dbraw/zinc/84/67/67/496846767.db2.gz FSLXRWVMTUXCEL-UHFFFAOYSA-N 1 2 355.467 3.377 20 30 FGEDLO Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000273629296 496857128 /nfs/dbraw/zinc/85/71/28/496857128.db2.gz WWKPQEGJNPZTHX-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000188702169 496882041 /nfs/dbraw/zinc/88/20/41/496882041.db2.gz ZCKLGEDYRMNCGJ-HOTGVXAUSA-N 1 2 368.441 3.076 20 30 FGEDLO N#CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000195314215 496885349 /nfs/dbraw/zinc/88/53/49/496885349.db2.gz UDORFIHBJSBPDY-UHFFFAOYSA-N 1 2 355.438 3.292 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418433 496896267 /nfs/dbraw/zinc/89/62/67/496896267.db2.gz LLIRNNXCTWHKTA-RDTXWAMCSA-N 1 2 372.428 3.131 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418433 496896269 /nfs/dbraw/zinc/89/62/69/496896269.db2.gz LLIRNNXCTWHKTA-RDTXWAMCSA-N 1 2 372.428 3.131 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273763615 496899241 /nfs/dbraw/zinc/89/92/41/496899241.db2.gz YOIFRDOHWGFCLA-NEPJUHHUSA-N 1 2 350.513 3.162 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000247662572 496902577 /nfs/dbraw/zinc/90/25/77/496902577.db2.gz UBSBRWYYZQQLFE-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060766 496995352 /nfs/dbraw/zinc/99/53/52/496995352.db2.gz UFPMSDCHRFUBBT-WMZOPIPTSA-N 1 2 355.825 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060766 496995356 /nfs/dbraw/zinc/99/53/56/496995356.db2.gz UFPMSDCHRFUBBT-WMZOPIPTSA-N 1 2 355.825 3.092 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nc(Cl)c(C#N)s3)CC2)cc1F ZINC000278485047 497130785 /nfs/dbraw/zinc/13/07/85/497130785.db2.gz GEJZHWDKONFVCO-UHFFFAOYSA-N 1 2 366.849 3.138 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000270492495 497138868 /nfs/dbraw/zinc/13/88/68/497138868.db2.gz XTBSIQMHYKHKKM-INIZCTEOSA-N 1 2 362.861 3.055 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)c(C#N)c1C ZINC000249916233 497258000 /nfs/dbraw/zinc/25/80/00/497258000.db2.gz XMNADJDZXMWLHM-GXTWGEPZSA-N 1 2 358.467 3.431 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)c(C#N)c1C ZINC000249916233 497258006 /nfs/dbraw/zinc/25/80/06/497258006.db2.gz XMNADJDZXMWLHM-GXTWGEPZSA-N 1 2 358.467 3.431 20 30 FGEDLO COc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271123835 497268473 /nfs/dbraw/zinc/26/84/73/497268473.db2.gz LONTXOUEBIAUNU-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000193120035 497307804 /nfs/dbraw/zinc/30/78/04/497307804.db2.gz BMUHOPJWKLWDDH-OAQYLSRUSA-N 1 2 374.444 3.313 20 30 FGEDLO CCc1cc(N)nc(SCC(=O)c2cn(CCC#N)c3ccccc23)[nH+]1 ZINC000279085325 497328097 /nfs/dbraw/zinc/32/80/97/497328097.db2.gz MNYRRWBBUUFLHX-UHFFFAOYSA-N 1 2 365.462 3.465 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275463496 497334411 /nfs/dbraw/zinc/33/44/11/497334411.db2.gz NPYSMHCFKIZROD-PBHICJAKSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275463496 497334417 /nfs/dbraw/zinc/33/44/17/497334417.db2.gz NPYSMHCFKIZROD-PBHICJAKSA-N 1 2 361.511 3.112 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC(C)(C#N)CC3)c[nH+]2)CC1 ZINC000272377455 497612089 /nfs/dbraw/zinc/61/20/89/497612089.db2.gz FVNUXPVIPHFNBY-UHFFFAOYSA-N 1 2 355.486 3.153 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)C1 ZINC000190950355 497656770 /nfs/dbraw/zinc/65/67/70/497656770.db2.gz ONIWUWFXKZJNBC-GFCCVEGCSA-N 1 2 356.451 3.205 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)c(O)c3)n2)C1 ZINC000190950355 497656779 /nfs/dbraw/zinc/65/67/79/497656779.db2.gz ONIWUWFXKZJNBC-GFCCVEGCSA-N 1 2 356.451 3.205 20 30 FGEDLO N#CCc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272627633 497682628 /nfs/dbraw/zinc/68/26/28/497682628.db2.gz JYPBAKSXVIPIAE-LJQANCHMSA-N 1 2 360.417 3.376 20 30 FGEDLO N#CCc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272627633 497682634 /nfs/dbraw/zinc/68/26/34/497682634.db2.gz JYPBAKSXVIPIAE-LJQANCHMSA-N 1 2 360.417 3.376 20 30 FGEDLO O=C(NC1(c2ccc3c(c2)OCO3)CC1)C1CC[NH+](CC(F)F)CC1 ZINC000329553654 497827852 /nfs/dbraw/zinc/82/78/52/497827852.db2.gz PUTFQLVXJJAIGQ-UHFFFAOYSA-N 1 2 352.381 3.338 20 30 FGEDLO COc1cccc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccn2)c1 ZINC000364203802 497840351 /nfs/dbraw/zinc/84/03/51/497840351.db2.gz RXSPOERBZYSBPH-QFIPXVFZSA-N 1 2 372.428 3.280 20 30 FGEDLO Cc1ncc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(C2CC2)n1 ZINC000329668033 497862684 /nfs/dbraw/zinc/86/26/84/497862684.db2.gz RVDASMQPZIMPGH-AWEZNQCLSA-N 1 2 353.470 3.476 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1 ZINC000292068570 497863735 /nfs/dbraw/zinc/86/37/35/497863735.db2.gz CMLPUMDLIDMWSA-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Cl)c1 ZINC000292068570 497863739 /nfs/dbraw/zinc/86/37/39/497863739.db2.gz CMLPUMDLIDMWSA-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000329737473 497884547 /nfs/dbraw/zinc/88/45/47/497884547.db2.gz MCOPJMHFGNPMPZ-SFHVURJKSA-N 1 2 350.422 3.159 20 30 FGEDLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000329737473 497884555 /nfs/dbraw/zinc/88/45/55/497884555.db2.gz MCOPJMHFGNPMPZ-SFHVURJKSA-N 1 2 350.422 3.159 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000329738853 497885813 /nfs/dbraw/zinc/88/58/13/497885813.db2.gz UPNPJWFIFJYGAP-GFCCVEGCSA-N 1 2 369.856 3.305 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000329738853 497885814 /nfs/dbraw/zinc/88/58/14/497885814.db2.gz UPNPJWFIFJYGAP-GFCCVEGCSA-N 1 2 369.856 3.305 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(OC)c1OC ZINC000299682656 497893330 /nfs/dbraw/zinc/89/33/30/497893330.db2.gz SHTVIHBDUQFUPP-UHFFFAOYSA-N 1 2 355.438 3.175 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N[C@]3(C)CCO[C@H]3C3CC3)c[nH+]2)CC1 ZINC000329763215 497893311 /nfs/dbraw/zinc/89/33/11/497893311.db2.gz UFWPLCSYEBFXQE-PZJWPPBQSA-N 1 2 372.513 3.279 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCOC3(CCCCC3)C1)C2 ZINC000329780434 497898986 /nfs/dbraw/zinc/89/89/86/497898986.db2.gz RVLIQKSRMJPXLX-INIZCTEOSA-N 1 2 374.529 3.445 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000292147654 497899586 /nfs/dbraw/zinc/89/95/86/497899586.db2.gz JYKPYEKCQLERSZ-MRXNPFEDSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)nc1 ZINC000292147654 497899591 /nfs/dbraw/zinc/89/95/91/497899591.db2.gz JYKPYEKCQLERSZ-MRXNPFEDSA-N 1 2 352.419 3.323 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280824091 497912638 /nfs/dbraw/zinc/91/26/38/497912638.db2.gz NTPJMQRCEZMWKK-KUHUBIRLSA-N 1 2 360.454 3.270 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1[C@@H]1CCCO1 ZINC000329856475 497930488 /nfs/dbraw/zinc/93/04/88/497930488.db2.gz UVHJUDJANAOUQA-LPHOPBHVSA-N 1 2 360.454 3.325 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@H]1[C@@H]1CCCO1 ZINC000329856475 497930493 /nfs/dbraw/zinc/93/04/93/497930493.db2.gz UVHJUDJANAOUQA-LPHOPBHVSA-N 1 2 360.454 3.325 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCC1 ZINC000329922964 497954302 /nfs/dbraw/zinc/95/43/02/497954302.db2.gz GSBYXPWTQGMMBH-HOCLYGCPSA-N 1 2 352.454 3.040 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCC1 ZINC000329922964 497954307 /nfs/dbraw/zinc/95/43/07/497954307.db2.gz GSBYXPWTQGMMBH-HOCLYGCPSA-N 1 2 352.454 3.040 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2csc3ccccc23)CCN1C ZINC000329959734 497971128 /nfs/dbraw/zinc/97/11/28/497971128.db2.gz NLWWCHKPHTVSRM-MRXNPFEDSA-N 1 2 369.494 3.038 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329963062 497972408 /nfs/dbraw/zinc/97/24/08/497972408.db2.gz POZDZRXCRBGDOT-LZLYRXPVSA-N 1 2 355.486 3.195 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292330612 497973320 /nfs/dbraw/zinc/97/33/20/497973320.db2.gz WHZROFFZYYEMDX-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292330612 497973323 /nfs/dbraw/zinc/97/33/23/497973323.db2.gz WHZROFFZYYEMDX-OAHLLOKOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCC1(C)C ZINC000329976044 497977218 /nfs/dbraw/zinc/97/72/18/497977218.db2.gz DYJGXLLGLWBUOR-ZOBUZTSGSA-N 1 2 366.481 3.286 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1CCCC1(C)C ZINC000329976044 497977223 /nfs/dbraw/zinc/97/72/23/497977223.db2.gz DYJGXLLGLWBUOR-ZOBUZTSGSA-N 1 2 366.481 3.286 20 30 FGEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCC(=O)N3)c[nH+]1 ZINC000285039086 497977865 /nfs/dbraw/zinc/97/78/65/497977865.db2.gz IZPUNWZKRDRHCR-XBXARRHUSA-N 1 2 351.406 3.153 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329988623 497982185 /nfs/dbraw/zinc/98/21/85/497982185.db2.gz HHYUIZSIWKFPBA-LJQANCHMSA-N 1 2 371.481 3.154 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCCC2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329988623 497982187 /nfs/dbraw/zinc/98/21/87/497982187.db2.gz HHYUIZSIWKFPBA-LJQANCHMSA-N 1 2 371.481 3.154 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3ccccn3)CC2)c(C#N)c1C ZINC000364529720 498004699 /nfs/dbraw/zinc/00/46/99/498004699.db2.gz SDQWWSDCPAJQHJ-UHFFFAOYSA-N 1 2 352.438 3.056 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000281063252 498006096 /nfs/dbraw/zinc/00/60/96/498006096.db2.gz YXKQBGZCZQHVAU-UHFFFAOYSA-N 1 2 351.397 3.285 20 30 FGEDLO O=C(C[NH+]1CCN(c2nc3c(cccc3F)o2)CC1)NC1CCCCC1 ZINC000330131407 498032848 /nfs/dbraw/zinc/03/28/48/498032848.db2.gz KXAUNJOAYZAMTQ-UHFFFAOYSA-N 1 2 360.433 3.378 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@]2(CCOC2)O1 ZINC000330157893 498043303 /nfs/dbraw/zinc/04/33/03/498043303.db2.gz PSBBAKHOTKQYDP-DXCKQFNASA-N 1 2 353.488 3.006 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@]2(CCOC2)O1 ZINC000330157893 498043308 /nfs/dbraw/zinc/04/33/08/498043308.db2.gz PSBBAKHOTKQYDP-DXCKQFNASA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1ccc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330274581 498089955 /nfs/dbraw/zinc/08/99/55/498089955.db2.gz KJOHWVFJDLJORN-SJORKVTESA-N 1 2 356.495 3.210 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301267 498095814 /nfs/dbraw/zinc/09/58/14/498095814.db2.gz JVVVYMOVZOISEO-SWLSCSKDSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000281301267 498095822 /nfs/dbraw/zinc/09/58/22/498095822.db2.gz JVVVYMOVZOISEO-SWLSCSKDSA-N 1 2 360.845 3.170 20 30 FGEDLO CC(C)c1noc2ncc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cc21 ZINC000330329705 498106343 /nfs/dbraw/zinc/10/63/43/498106343.db2.gz MUPUTTRXMANUEU-CJNGLKHVSA-N 1 2 369.425 3.305 20 30 FGEDLO CC(C)c1noc2ncc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cc21 ZINC000330329706 498106447 /nfs/dbraw/zinc/10/64/47/498106447.db2.gz MUPUTTRXMANUEU-CZUORRHYSA-N 1 2 369.425 3.305 20 30 FGEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330333922 498107831 /nfs/dbraw/zinc/10/78/31/498107831.db2.gz YLENVNUQRHSZPC-CQSZACIVSA-N 1 2 360.483 3.311 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)CCO1 ZINC000330332475 498108297 /nfs/dbraw/zinc/10/82/97/498108297.db2.gz OYHRLLPIPHPYLT-SNPRPXQTSA-N 1 2 374.407 3.265 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc3c2CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000330351737 498116518 /nfs/dbraw/zinc/11/65/18/498116518.db2.gz MQBXPYWSGIUPHL-SFHVURJKSA-N 1 2 353.470 3.213 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330361015 498118564 /nfs/dbraw/zinc/11/85/64/498118564.db2.gz XVCZTIVRYXIWQR-KRWDZBQOSA-N 1 2 370.457 3.250 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)CCO1 ZINC000330359609 498118797 /nfs/dbraw/zinc/11/87/97/498118797.db2.gz WFNYLZNNAATSNR-YOEHRIQHSA-N 1 2 369.425 3.010 20 30 FGEDLO C=CCOCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000292825388 498160076 /nfs/dbraw/zinc/16/00/76/498160076.db2.gz YHXHRVDYIOOQAA-CYBMUJFWSA-N 1 2 350.463 3.324 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000285693105 498173964 /nfs/dbraw/zinc/17/39/64/498173964.db2.gz NVNRXULTUWSAPY-ZIAGYGMSSA-N 1 2 358.392 3.346 20 30 FGEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Br)c(F)c2)CCO1 ZINC000331246969 498283733 /nfs/dbraw/zinc/28/37/33/498283733.db2.gz MOOVOAGDTULKDH-UHFFFAOYSA-N 1 2 374.254 3.025 20 30 FGEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Br)c(F)c2)CCO1 ZINC000331246969 498283736 /nfs/dbraw/zinc/28/37/36/498283736.db2.gz MOOVOAGDTULKDH-UHFFFAOYSA-N 1 2 374.254 3.025 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000281827437 498284716 /nfs/dbraw/zinc/28/47/16/498284716.db2.gz PNCQEEJBBHKYGP-BQFCYCMXSA-N 1 2 363.527 3.118 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000281865027 498297570 /nfs/dbraw/zinc/29/75/70/498297570.db2.gz RBMUCQKPSRPTNY-CRAIPNDOSA-N 1 2 352.438 3.296 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000365306355 498396453 /nfs/dbraw/zinc/39/64/53/498396453.db2.gz LDDJYNVDXNLMHN-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000365306355 498396456 /nfs/dbraw/zinc/39/64/56/498396456.db2.gz LDDJYNVDXNLMHN-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO N#Cc1c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc2ccccn12 ZINC000302187844 498434405 /nfs/dbraw/zinc/43/44/05/498434405.db2.gz UUGRIYQSFQPXRD-UHFFFAOYSA-N 1 2 368.444 3.208 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365406606 498451466 /nfs/dbraw/zinc/45/14/66/498451466.db2.gz WOKVRCKWKQPVPJ-ZDUSSCGKSA-N 1 2 371.872 3.203 20 30 FGEDLO C=C[C@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)c1ccccc1 ZINC000581687974 506044669 /nfs/dbraw/zinc/04/46/69/506044669.db2.gz DGIAOIMWPPWITM-LJQANCHMSA-N 1 2 363.465 3.005 20 30 FGEDLO CC(C)c1nc(CN2CCC[N@H+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000365586788 498545177 /nfs/dbraw/zinc/54/51/77/498545177.db2.gz OMLRJDQPPNXIQU-UHFFFAOYSA-N 1 2 373.888 3.426 20 30 FGEDLO CC(C)c1nc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)CC2)no1 ZINC000365586788 498545183 /nfs/dbraw/zinc/54/51/83/498545183.db2.gz OMLRJDQPPNXIQU-UHFFFAOYSA-N 1 2 373.888 3.426 20 30 FGEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576024073 506058212 /nfs/dbraw/zinc/05/82/12/506058212.db2.gz LKZUYICDYNBAFF-FQEVSTJZSA-N 1 2 352.434 3.311 20 30 FGEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576024073 506058217 /nfs/dbraw/zinc/05/82/17/506058217.db2.gz LKZUYICDYNBAFF-FQEVSTJZSA-N 1 2 352.434 3.311 20 30 FGEDLO C=CCC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000287055709 498608635 /nfs/dbraw/zinc/60/86/35/498608635.db2.gz NBUVFVBOCGLQLX-HOJAQTOUSA-N 1 2 357.498 3.199 20 30 FGEDLO COc1ccc(Sc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000572834780 506063777 /nfs/dbraw/zinc/06/37/77/506063777.db2.gz AQOLLJNBQMKJQC-KRWDZBQOSA-N 1 2 371.506 3.465 20 30 FGEDLO COc1ccc(Sc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000572834780 506063780 /nfs/dbraw/zinc/06/37/80/506063780.db2.gz AQOLLJNBQMKJQC-KRWDZBQOSA-N 1 2 371.506 3.465 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000332359302 498661792 /nfs/dbraw/zinc/66/17/92/498661792.db2.gz CLJJMUXLOGMLBQ-AUUYWEPGSA-N 1 2 366.469 3.244 20 30 FGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303645200 498700087 /nfs/dbraw/zinc/70/00/87/498700087.db2.gz ILKAWMWKJAHELR-OAQYLSRUSA-N 1 2 358.445 3.438 20 30 FGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303645200 498700091 /nfs/dbraw/zinc/70/00/91/498700091.db2.gz ILKAWMWKJAHELR-OAQYLSRUSA-N 1 2 358.445 3.438 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298258567 498712677 /nfs/dbraw/zinc/71/26/77/498712677.db2.gz LEHKSBPJNNGFCC-SQNIBIBYSA-N 1 2 354.454 3.122 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334588 498720007 /nfs/dbraw/zinc/72/00/07/498720007.db2.gz KQPPVGTUUTXTFD-OKZBNKHCSA-N 1 2 368.437 3.053 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000287334588 498720001 /nfs/dbraw/zinc/72/00/01/498720001.db2.gz KQPPVGTUUTXTFD-OKZBNKHCSA-N 1 2 368.437 3.053 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000363285054 498745671 /nfs/dbraw/zinc/74/56/71/498745671.db2.gz BBMVMSHGVXWKMH-MRXNPFEDSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000363285054 498745677 /nfs/dbraw/zinc/74/56/77/498745677.db2.gz BBMVMSHGVXWKMH-MRXNPFEDSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294646866 498760409 /nfs/dbraw/zinc/76/04/09/498760409.db2.gz QYXFKXQLHGLDTR-LLVKDONJSA-N 1 2 359.227 3.064 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCOc3c(F)cccc31)CCC2 ZINC000328613862 498875191 /nfs/dbraw/zinc/87/51/91/498875191.db2.gz QRHMMAWVJQHOES-CJNGLKHVSA-N 1 2 358.417 3.235 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCC(=O)N3)c[nH+]2)C[C@H](C)O1 ZINC000328634441 498884120 /nfs/dbraw/zinc/88/41/20/498884120.db2.gz BLVITMUXTCWOGZ-UXLLHSPISA-N 1 2 374.485 3.441 20 30 FGEDLO CCC(CC)[C@H](C(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000328685042 498901990 /nfs/dbraw/zinc/90/19/90/498901990.db2.gz FKGLJDOUAFQZHE-DOTOQJQBSA-N 1 2 351.491 3.122 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328717002 498912971 /nfs/dbraw/zinc/91/29/71/498912971.db2.gz UHZOBQNINKKVFJ-JXFKEZNVSA-N 1 2 371.481 3.259 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363642044 498920249 /nfs/dbraw/zinc/92/02/49/498920249.db2.gz VMCHSFAYHLVZGX-INIZCTEOSA-N 1 2 365.437 3.014 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000573072826 506111932 /nfs/dbraw/zinc/11/19/32/506111932.db2.gz BXAFTPSTWIJRAS-IEBWSBKVSA-N 1 2 363.465 3.317 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328763506 498929970 /nfs/dbraw/zinc/92/99/70/498929970.db2.gz FTEANVGOQGMSKI-OKZBNKHCSA-N 1 2 360.502 3.410 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ncoc3C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000328764976 498931380 /nfs/dbraw/zinc/93/13/80/498931380.db2.gz OZVAYFCIWBLUBQ-CHWSQXEVSA-N 1 2 356.426 3.065 20 30 FGEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000283696364 498960159 /nfs/dbraw/zinc/96/01/59/498960159.db2.gz XQXOJAZXROLFTQ-UHFFFAOYSA-N 1 2 371.872 3.111 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CCOCC1 ZINC000328877513 498971314 /nfs/dbraw/zinc/97/13/14/498971314.db2.gz UDOSEMFOBCLJDV-CYBMUJFWSA-N 1 2 358.442 3.050 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCC23CCCCC3)nc[nH+]1 ZINC000328893382 498976347 /nfs/dbraw/zinc/97/63/47/498976347.db2.gz VAOHUOUWLQBUPZ-MRXNPFEDSA-N 1 2 372.517 3.200 20 30 FGEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCC23CCCCC3)[nH+]cn1 ZINC000328893382 498976354 /nfs/dbraw/zinc/97/63/54/498976354.db2.gz VAOHUOUWLQBUPZ-MRXNPFEDSA-N 1 2 372.517 3.200 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(F)(c3ccccn3)CC2)c(C#N)c1C ZINC000295348288 498989293 /nfs/dbraw/zinc/98/92/93/498989293.db2.gz NNVYVKQMFJFWJD-UHFFFAOYSA-N 1 2 356.401 3.062 20 30 FGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COc2ccc(Br)cc21 ZINC000328968816 499001540 /nfs/dbraw/zinc/00/15/40/499001540.db2.gz UFPMCWWOQMPGBH-ZYHUDNBSSA-N 1 2 362.227 3.162 20 30 FGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COc2ccc(Br)cc21 ZINC000328968816 499001547 /nfs/dbraw/zinc/00/15/47/499001547.db2.gz UFPMCWWOQMPGBH-ZYHUDNBSSA-N 1 2 362.227 3.162 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(F)(c3ccccn3)CC2)c(C#N)c1C ZINC000295402585 499006537 /nfs/dbraw/zinc/00/65/37/499006537.db2.gz RZVJGFOHBRTROM-CQSZACIVSA-N 1 2 370.428 3.451 20 30 FGEDLO Cc1cc(F)cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000328998475 499009969 /nfs/dbraw/zinc/00/99/69/499009969.db2.gz GCPCNBPDCDQWOR-VQIMIIECSA-N 1 2 370.428 3.067 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000329065566 499030720 /nfs/dbraw/zinc/03/07/20/499030720.db2.gz KXSMDRGULGVXPJ-VQTJNVASSA-N 1 2 364.461 3.361 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000329065566 499030724 /nfs/dbraw/zinc/03/07/24/499030724.db2.gz KXSMDRGULGVXPJ-VQTJNVASSA-N 1 2 364.461 3.361 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329067064 499032433 /nfs/dbraw/zinc/03/24/33/499032433.db2.gz LSRRXMZOACAGPO-SFTDATJTSA-N 1 2 358.482 3.284 20 30 FGEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000329067064 499032438 /nfs/dbraw/zinc/03/24/38/499032438.db2.gz LSRRXMZOACAGPO-SFTDATJTSA-N 1 2 358.482 3.284 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000579244505 506127994 /nfs/dbraw/zinc/12/79/94/506127994.db2.gz OMHKEEAEYRVHPO-LJQANCHMSA-N 1 2 351.450 3.164 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 ZINC000329164910 499060546 /nfs/dbraw/zinc/06/05/46/499060546.db2.gz HBHSJEWTOVYKHK-SFHVURJKSA-N 1 2 354.454 3.486 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692146 499081955 /nfs/dbraw/zinc/08/19/55/499081955.db2.gz DLTDMPHOUOORMN-WMLDXEAASA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C ZINC000295692146 499081958 /nfs/dbraw/zinc/08/19/58/499081958.db2.gz DLTDMPHOUOORMN-WMLDXEAASA-N 1 2 352.438 3.370 20 30 FGEDLO Cn1c2cccc(F)c2nc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000329248896 499083150 /nfs/dbraw/zinc/08/31/50/499083150.db2.gz SSNCSKUIVVYHSC-UHFFFAOYSA-N 1 2 373.476 3.124 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC000329251807 499084052 /nfs/dbraw/zinc/08/40/52/499084052.db2.gz BPZHOMFVJJQJIR-CYBMUJFWSA-N 1 2 368.437 3.481 20 30 FGEDLO Cn1cc(Nc2cccc(NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)c2)cn1 ZINC000329274009 499088814 /nfs/dbraw/zinc/08/88/14/499088814.db2.gz JESGNYLALKTIMC-IBGZPJMESA-N 1 2 369.469 3.395 20 30 FGEDLO Cn1cc(Nc2cccc(NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)c2)cn1 ZINC000329274009 499088818 /nfs/dbraw/zinc/08/88/18/499088818.db2.gz JESGNYLALKTIMC-IBGZPJMESA-N 1 2 369.469 3.395 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1COc3ccccc3C1)C2 ZINC000329311879 499095969 /nfs/dbraw/zinc/09/59/69/499095969.db2.gz ZWABPDXFNKLBKG-JKSUJKDBSA-N 1 2 368.481 3.003 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1COc3ccccc3C1)C2 ZINC000329311879 499095970 /nfs/dbraw/zinc/09/59/70/499095970.db2.gz ZWABPDXFNKLBKG-JKSUJKDBSA-N 1 2 368.481 3.003 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCn4cncc4C3)n2)C1 ZINC000329414379 499117542 /nfs/dbraw/zinc/11/75/42/499117542.db2.gz CPCWWMJISKGXEP-KGLIPLIRSA-N 1 2 359.499 3.422 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCn4cncc4C3)n2)C1 ZINC000329414379 499117544 /nfs/dbraw/zinc/11/75/44/499117544.db2.gz CPCWWMJISKGXEP-KGLIPLIRSA-N 1 2 359.499 3.422 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329439740 499121849 /nfs/dbraw/zinc/12/18/49/499121849.db2.gz JUPLFMOBGUBRDB-HEHGZKQESA-N 1 2 355.360 3.315 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329439740 499121850 /nfs/dbraw/zinc/12/18/50/499121850.db2.gz JUPLFMOBGUBRDB-HEHGZKQESA-N 1 2 355.360 3.315 20 30 FGEDLO Cc1cc(NC(=O)N2CCOCC3(CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329479117 499126983 /nfs/dbraw/zinc/12/69/83/499126983.db2.gz VCXMSOQWJGVZGT-MRXNPFEDSA-N 1 2 358.486 3.427 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCCN(C(=O)C3CC3)C1)C2 ZINC000329530823 499129417 /nfs/dbraw/zinc/12/94/17/499129417.db2.gz VXTMIODKNOFORS-HOTGVXAUSA-N 1 2 372.513 3.101 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369884609 499145322 /nfs/dbraw/zinc/14/53/22/499145322.db2.gz QZPMQYHBBVXBJT-ZDUSSCGKSA-N 1 2 355.413 3.428 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369884609 499145324 /nfs/dbraw/zinc/14/53/24/499145324.db2.gz QZPMQYHBBVXBJT-ZDUSSCGKSA-N 1 2 355.413 3.428 20 30 FGEDLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000372615767 499154031 /nfs/dbraw/zinc/15/40/31/499154031.db2.gz APINKSFTPOGFOB-AWEZNQCLSA-N 1 2 371.872 3.016 20 30 FGEDLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000372615767 499154032 /nfs/dbraw/zinc/15/40/32/499154032.db2.gz APINKSFTPOGFOB-AWEZNQCLSA-N 1 2 371.872 3.016 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372733286 499167716 /nfs/dbraw/zinc/16/77/16/499167716.db2.gz WKAFDUVYKJHZGE-IBGZPJMESA-N 1 2 356.429 3.301 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367258462 499169558 /nfs/dbraw/zinc/16/95/58/499169558.db2.gz CVDABEFUJPLQNK-MKXGPGLRSA-N 1 2 368.525 3.268 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370121744 499183864 /nfs/dbraw/zinc/18/38/64/499183864.db2.gz VEYKKGHPHVMIJW-WIYYLYMNSA-N 1 2 365.481 3.002 20 30 FGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370121744 499183866 /nfs/dbraw/zinc/18/38/66/499183866.db2.gz VEYKKGHPHVMIJW-WIYYLYMNSA-N 1 2 365.481 3.002 20 30 FGEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(-c2ccccc2)no1 ZINC000367572171 499214090 /nfs/dbraw/zinc/21/40/90/499214090.db2.gz ZXESLJFKEVBLFR-YLJYHZDGSA-N 1 2 369.469 3.078 20 30 FGEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568753 499308565 /nfs/dbraw/zinc/30/85/65/499308565.db2.gz SBENQQXBFVYHOA-ZBFHGGJFSA-N 1 2 353.459 3.103 20 30 FGEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568753 499308566 /nfs/dbraw/zinc/30/85/66/499308566.db2.gz SBENQQXBFVYHOA-ZBFHGGJFSA-N 1 2 353.459 3.103 20 30 FGEDLO COCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464212 499330351 /nfs/dbraw/zinc/33/03/51/499330351.db2.gz PRQFAMMXGNTLQX-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464212 499330353 /nfs/dbraw/zinc/33/03/53/499330353.db2.gz PRQFAMMXGNTLQX-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204109 499377152 /nfs/dbraw/zinc/37/71/52/499377152.db2.gz DYCNFBGAIWGVJY-KURKYZTESA-N 1 2 354.498 3.022 20 30 FGEDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000369298744 499389151 /nfs/dbraw/zinc/38/91/51/499389151.db2.gz OPCVGDXJLXARKO-AZUAARDMSA-N 1 2 374.444 3.479 20 30 FGEDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000369298744 499389153 /nfs/dbraw/zinc/38/91/53/499389153.db2.gz OPCVGDXJLXARKO-AZUAARDMSA-N 1 2 374.444 3.479 20 30 FGEDLO COc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccn2)c1 ZINC000372161419 499404571 /nfs/dbraw/zinc/40/45/71/499404571.db2.gz WSJKZUCLJOCLSD-QFIPXVFZSA-N 1 2 372.428 3.280 20 30 FGEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000372942650 499444011 /nfs/dbraw/zinc/44/40/11/499444011.db2.gz CVGKFMQGNZYMOQ-UHFFFAOYSA-N 1 2 368.400 3.064 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373047232 499448754 /nfs/dbraw/zinc/44/87/54/499448754.db2.gz CRDRPPYAUHMVKI-KRWDZBQOSA-N 1 2 354.454 3.074 20 30 FGEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(-c2ccncc2F)s1 ZINC000373471109 499471888 /nfs/dbraw/zinc/47/18/88/499471888.db2.gz VKGYZABUGORVGB-UHFFFAOYSA-N 1 2 354.410 3.041 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCOc1ccc(C#N)cc1 ZINC000373783444 499487705 /nfs/dbraw/zinc/48/77/05/499487705.db2.gz QMMWBOQOPVDESH-GOSISDBHSA-N 1 2 367.453 3.090 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C)(O)CC1 ZINC000408278170 499582832 /nfs/dbraw/zinc/58/28/32/499582832.db2.gz SKKXPXZOEUCPFH-ZDUSSCGKSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595821 499621721 /nfs/dbraw/zinc/62/17/21/499621721.db2.gz RECBESZFYRFTCI-CQSZACIVSA-N 1 2 370.403 3.244 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 ZINC000409827310 499623813 /nfs/dbraw/zinc/62/38/13/499623813.db2.gz RNJJPSAUIZBXIH-CQSZACIVSA-N 1 2 363.425 3.013 20 30 FGEDLO CCN(C(=O)CCc1ccc(C#N)cc1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000377599759 499708847 /nfs/dbraw/zinc/70/88/47/499708847.db2.gz HXBXZXVQSROFLR-NRFANRHFSA-N 1 2 373.460 3.257 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC1CC1 ZINC000411228932 499714380 /nfs/dbraw/zinc/71/43/80/499714380.db2.gz WJSVNBYKNDFDDP-NSHDSACASA-N 1 2 355.251 3.243 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NC1CC1 ZINC000411228932 499714382 /nfs/dbraw/zinc/71/43/82/499714382.db2.gz WJSVNBYKNDFDDP-NSHDSACASA-N 1 2 355.251 3.243 20 30 FGEDLO Cc1ccnc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000378094093 499758595 /nfs/dbraw/zinc/75/85/95/499758595.db2.gz CFWKEGPIXWLUPX-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)cc1F ZINC000429215449 500025033 /nfs/dbraw/zinc/02/50/33/500025033.db2.gz PRULYLVXPSENGC-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO CC(C)([NH2+]CC(=O)Nc1sccc1C#N)c1cc(C(F)(F)F)on1 ZINC000429257335 500035798 /nfs/dbraw/zinc/03/57/98/500035798.db2.gz RCKCZYQJTYESPA-UHFFFAOYSA-N 1 2 358.345 3.090 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000421400975 500037786 /nfs/dbraw/zinc/03/77/86/500037786.db2.gz CIKZTVZSVIOWRA-UHFFFAOYSA-N 1 2 362.433 3.388 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000421400975 500037791 /nfs/dbraw/zinc/03/77/91/500037791.db2.gz CIKZTVZSVIOWRA-UHFFFAOYSA-N 1 2 362.433 3.388 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416682296 500085059 /nfs/dbraw/zinc/08/50/59/500085059.db2.gz KDQAUBUMYROEKO-LJQANCHMSA-N 1 2 359.433 3.125 20 30 FGEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425683515 500180613 /nfs/dbraw/zinc/18/06/13/500180613.db2.gz OIRJQSMNTFIFQS-HNNXBMFYSA-N 1 2 354.454 3.335 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4c3cccc4C#N)cn2c1 ZINC000421962503 500185526 /nfs/dbraw/zinc/18/55/26/500185526.db2.gz GVLRGYKYHMCTJA-UHFFFAOYSA-N 1 2 362.458 3.337 20 30 FGEDLO CCOC(=O)c1cc(COC)cc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000430222482 500211386 /nfs/dbraw/zinc/21/13/86/500211386.db2.gz UNYDOPOARKMWAT-UHFFFAOYSA-N 1 2 364.405 3.141 20 30 FGEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000430734089 500277320 /nfs/dbraw/zinc/27/73/20/500277320.db2.gz KSFKJMSFDUBFJO-UHFFFAOYSA-N 1 2 373.460 3.075 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000424176047 500463902 /nfs/dbraw/zinc/46/39/02/500463902.db2.gz WOSSLIYMPIELRU-UHFFFAOYSA-N 1 2 373.201 3.118 20 30 FGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000428230732 500484135 /nfs/dbraw/zinc/48/41/35/500484135.db2.gz IBALXCZCQCXDAY-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000428230732 500484137 /nfs/dbraw/zinc/48/41/37/500484137.db2.gz IBALXCZCQCXDAY-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000428360439 500500310 /nfs/dbraw/zinc/50/03/10/500500310.db2.gz BRYLSYFAYVWBGL-IBGZPJMESA-N 1 2 357.417 3.243 20 30 FGEDLO CCN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)C1=O ZINC000428431412 500509512 /nfs/dbraw/zinc/50/95/12/500509512.db2.gz SYCRAQUCDVHFOE-QGZVFWFLSA-N 1 2 363.461 3.190 20 30 FGEDLO CCN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H](C)C1=O ZINC000428431412 500509515 /nfs/dbraw/zinc/50/95/15/500509515.db2.gz SYCRAQUCDVHFOE-QGZVFWFLSA-N 1 2 363.461 3.190 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424503431 500511568 /nfs/dbraw/zinc/51/15/68/500511568.db2.gz UNWQJJMNLQWKRN-CLCXKQKWSA-N 1 2 364.436 3.027 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424503431 500511571 /nfs/dbraw/zinc/51/15/71/500511571.db2.gz UNWQJJMNLQWKRN-CLCXKQKWSA-N 1 2 364.436 3.027 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000424545364 500515389 /nfs/dbraw/zinc/51/53/89/500515389.db2.gz OTTBXJXKTOCNKC-UHFFFAOYSA-N 1 2 362.901 3.357 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000420883668 500521721 /nfs/dbraw/zinc/52/17/21/500521721.db2.gz IBOCEACYSWSEOB-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)c1 ZINC000432751874 500557491 /nfs/dbraw/zinc/55/74/91/500557491.db2.gz FQZWFZVTSSQGDK-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000612160817 506467201 /nfs/dbraw/zinc/46/72/01/506467201.db2.gz MDLYXKSHUHQPKZ-QFIPXVFZSA-N 1 2 362.477 3.409 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000612160817 506467207 /nfs/dbraw/zinc/46/72/07/506467207.db2.gz MDLYXKSHUHQPKZ-QFIPXVFZSA-N 1 2 362.477 3.409 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000442888091 500641516 /nfs/dbraw/zinc/64/15/16/500641516.db2.gz DRUQTPZPEIPEDQ-UHFFFAOYSA-N 1 2 350.344 3.344 20 30 FGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726075 500653790 /nfs/dbraw/zinc/65/37/90/500653790.db2.gz DHBSGOBDXAADTG-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000447726075 500653792 /nfs/dbraw/zinc/65/37/92/500653792.db2.gz DHBSGOBDXAADTG-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000447801008 500664223 /nfs/dbraw/zinc/66/42/23/500664223.db2.gz AWJQSKUTRKKUSZ-OAHLLOKOSA-N 1 2 366.421 3.472 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)ccc2c1 ZINC000433299976 500665783 /nfs/dbraw/zinc/66/57/83/500665783.db2.gz CUWFAHFCCLYRMD-UHFFFAOYSA-N 1 2 353.466 3.288 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)ccc2c1 ZINC000433299976 500665787 /nfs/dbraw/zinc/66/57/87/500665787.db2.gz CUWFAHFCCLYRMD-UHFFFAOYSA-N 1 2 353.466 3.288 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000437938315 500718772 /nfs/dbraw/zinc/71/87/72/500718772.db2.gz XMDRBDQJYXPHGV-RTBURBONSA-N 1 2 360.502 3.066 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc3c(c2c1=O)CCC3 ZINC000443471596 500728697 /nfs/dbraw/zinc/72/86/97/500728697.db2.gz ALUYTGRWLXZQDK-UHFFFAOYSA-N 1 2 370.503 3.233 20 30 FGEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438320203 500769540 /nfs/dbraw/zinc/76/95/40/500769540.db2.gz JZLBEJQHYUHPKW-UHFFFAOYSA-N 1 2 362.433 3.440 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448648768 500795048 /nfs/dbraw/zinc/79/50/48/500795048.db2.gz FERAQJJHDOKZKW-AWEZNQCLSA-N 1 2 356.857 3.069 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434665373 500875715 /nfs/dbraw/zinc/87/57/15/500875715.db2.gz MBZNJIAXZQURAP-QVKFZJNVSA-N 1 2 373.472 3.163 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)c(Cl)c1 ZINC000444769161 500895651 /nfs/dbraw/zinc/89/56/51/500895651.db2.gz WOSFNBSPMZBNLO-RUZDIDTESA-N 1 2 373.909 3.141 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 ZINC000444774116 500896173 /nfs/dbraw/zinc/89/61/73/500896173.db2.gz UZVOZXKFXUGTPP-UHFFFAOYSA-N 1 2 369.852 3.305 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000434836349 500899936 /nfs/dbraw/zinc/89/99/36/500899936.db2.gz MJXZFZJOPVWZMJ-HXUWFJFHSA-N 1 2 372.428 3.438 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000434836349 500899939 /nfs/dbraw/zinc/89/99/39/500899939.db2.gz MJXZFZJOPVWZMJ-HXUWFJFHSA-N 1 2 372.428 3.438 20 30 FGEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444787307 500900915 /nfs/dbraw/zinc/90/09/15/500900915.db2.gz WYMZUGSPIJRTKL-IYBDPMFKSA-N 1 2 374.916 3.123 20 30 FGEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000439488755 500905803 /nfs/dbraw/zinc/90/58/03/500905803.db2.gz BBZSFHGWNUGGCC-GOSISDBHSA-N 1 2 366.421 3.125 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)CC2)c1 ZINC000435045422 500926036 /nfs/dbraw/zinc/92/60/36/500926036.db2.gz JTJTYBGIYKUMCZ-UHFFFAOYSA-N 1 2 370.456 3.194 20 30 FGEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)CO ZINC000449444001 501004546 /nfs/dbraw/zinc/00/45/46/501004546.db2.gz XOPBFBGDLWVTMR-OAHLLOKOSA-N 1 2 366.387 3.160 20 30 FGEDLO COc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1C#N ZINC000440623690 501030431 /nfs/dbraw/zinc/03/04/31/501030431.db2.gz KPGZUQWVZDMIGK-GJZGRUSLSA-N 1 2 352.438 3.188 20 30 FGEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2c(Br)cccc21 ZINC000440683420 501038815 /nfs/dbraw/zinc/03/88/15/501038815.db2.gz RZXIHHDTALJMLQ-UHFFFAOYSA-N 1 2 356.227 3.239 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000441059984 501081677 /nfs/dbraw/zinc/08/16/77/501081677.db2.gz JLTQWLQYAWKCQI-UHFFFAOYSA-N 1 2 363.461 3.022 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000441059984 501081680 /nfs/dbraw/zinc/08/16/80/501081680.db2.gz JLTQWLQYAWKCQI-UHFFFAOYSA-N 1 2 363.461 3.022 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000450376312 501104394 /nfs/dbraw/zinc/10/43/94/501104394.db2.gz GHVYWTHCSDVUEN-APWZRJJASA-N 1 2 353.466 3.353 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450411948 501115265 /nfs/dbraw/zinc/11/52/65/501115265.db2.gz YJSIQQJFDPFFET-XFKAJCMBSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450411948 501115268 /nfs/dbraw/zinc/11/52/68/501115268.db2.gz YJSIQQJFDPFFET-XFKAJCMBSA-N 1 2 366.864 3.322 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1Br ZINC000450064311 501169844 /nfs/dbraw/zinc/16/98/44/501169844.db2.gz YAYQLSLJNRWPCF-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1Br ZINC000450064311 501169846 /nfs/dbraw/zinc/16/98/46/501169846.db2.gz YAYQLSLJNRWPCF-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1nnc2n1CCCC2 ZINC000451400926 501283335 /nfs/dbraw/zinc/28/33/35/501283335.db2.gz CMASBVNJQRMDRI-UHFFFAOYSA-N 1 2 374.286 3.273 20 30 FGEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651072 506245747 /nfs/dbraw/zinc/24/57/47/506245747.db2.gz VDWZODLMRMVBIG-RBUKOAKNSA-N 1 2 369.900 3.407 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000602651072 506245751 /nfs/dbraw/zinc/24/57/51/506245751.db2.gz VDWZODLMRMVBIG-RBUKOAKNSA-N 1 2 369.900 3.407 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000457872745 501325108 /nfs/dbraw/zinc/32/51/08/501325108.db2.gz KRCZWYZUSVIHRY-IAQYHMDHSA-N 1 2 368.275 3.220 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455764980 501381631 /nfs/dbraw/zinc/38/16/31/501381631.db2.gz FYSCMJYBVBVPHB-UHFFFAOYSA-N 1 2 355.442 3.486 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455784192 501385706 /nfs/dbraw/zinc/38/57/06/501385706.db2.gz LLYCKHNGMXONHB-UHFFFAOYSA-N 1 2 372.738 3.029 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451875916 501390994 /nfs/dbraw/zinc/39/09/94/501390994.db2.gz DSNZTWDTAUFELC-QAPCUYQASA-N 1 2 353.470 3.098 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451875916 501390996 /nfs/dbraw/zinc/39/09/96/501390996.db2.gz DSNZTWDTAUFELC-QAPCUYQASA-N 1 2 353.470 3.098 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458608232 501486788 /nfs/dbraw/zinc/48/67/88/501486788.db2.gz KWIJNPVMFCEMRD-DLBZAZTESA-N 1 2 365.905 3.223 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458608232 501486791 /nfs/dbraw/zinc/48/67/91/501486791.db2.gz KWIJNPVMFCEMRD-DLBZAZTESA-N 1 2 365.905 3.223 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000456378405 501513010 /nfs/dbraw/zinc/51/30/10/501513010.db2.gz LJTTYSUERYLAJC-BMIGLBTASA-N 1 2 353.451 3.185 20 30 FGEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000454421650 501540824 /nfs/dbraw/zinc/54/08/24/501540824.db2.gz BQNHKMPVULYIIM-UHFFFAOYSA-N 1 2 362.477 3.439 20 30 FGEDLO C=CCC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCCC1 ZINC000459057192 501584638 /nfs/dbraw/zinc/58/46/38/501584638.db2.gz XELRYTCQWBBQJJ-UHFFFAOYSA-N 1 2 362.543 3.415 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC(C)(C)CC#N)CC2)c1 ZINC000459254896 501620060 /nfs/dbraw/zinc/62/00/60/501620060.db2.gz GKEKXLBKNZXYPF-MRXNPFEDSA-N 1 2 358.486 3.023 20 30 FGEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000459425127 501651732 /nfs/dbraw/zinc/65/17/32/501651732.db2.gz LQKVMFSBZRVMCB-KRWDZBQOSA-N 1 2 369.421 3.117 20 30 FGEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000459425127 501651734 /nfs/dbraw/zinc/65/17/34/501651734.db2.gz LQKVMFSBZRVMCB-KRWDZBQOSA-N 1 2 369.421 3.117 20 30 FGEDLO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C#N)sc2C)cc1 ZINC000459458700 501657574 /nfs/dbraw/zinc/65/75/74/501657574.db2.gz FTAQMPOAHUUCJV-ZBFHGGJFSA-N 1 2 370.478 3.348 20 30 FGEDLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OCCCC#N ZINC000459709892 501702081 /nfs/dbraw/zinc/70/20/81/501702081.db2.gz PYLMDCKVJWNCDK-UHFFFAOYSA-N 1 2 357.458 3.083 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cscc2C#N)C[C@H](C)O1 ZINC000460009838 501724797 /nfs/dbraw/zinc/72/47/97/501724797.db2.gz OMHJAXWSOLPIJO-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cscc2C#N)C[C@H](C)O1 ZINC000460009838 501724798 /nfs/dbraw/zinc/72/47/98/501724798.db2.gz OMHJAXWSOLPIJO-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC ZINC000602735354 506278786 /nfs/dbraw/zinc/27/87/86/506278786.db2.gz VSRYFMLQUMCNRS-SWLSCSKDSA-N 1 2 368.861 3.163 20 30 FGEDLO COc1ncccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471027640 501895824 /nfs/dbraw/zinc/89/58/24/501895824.db2.gz HSJVLGKVGURAOY-SFHVURJKSA-N 1 2 356.857 3.126 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)OCC ZINC000485784681 501935804 /nfs/dbraw/zinc/93/58/04/501935804.db2.gz KMHDLUKBARHCBS-ZIFCJYIRSA-N 1 2 352.425 3.198 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)OCC ZINC000485784681 501935807 /nfs/dbraw/zinc/93/58/07/501935807.db2.gz KMHDLUKBARHCBS-ZIFCJYIRSA-N 1 2 352.425 3.198 20 30 FGEDLO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCn2cc[nH+]c2C1 ZINC000460931660 501960762 /nfs/dbraw/zinc/96/07/62/501960762.db2.gz LSTSZQIJKRKZOJ-UHFFFAOYSA-N 1 2 371.448 3.286 20 30 FGEDLO N#CCC1(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000602761052 506288496 /nfs/dbraw/zinc/28/84/96/506288496.db2.gz VIRTVQBEMUGAFP-UHFFFAOYSA-N 1 2 371.872 3.201 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813782 502103226 /nfs/dbraw/zinc/10/32/26/502103226.db2.gz OGBYFNGANSCLRV-OALUTQOASA-N 1 2 365.502 3.405 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813782 502103227 /nfs/dbraw/zinc/10/32/27/502103227.db2.gz OGBYFNGANSCLRV-OALUTQOASA-N 1 2 365.502 3.405 20 30 FGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000464821803 502106258 /nfs/dbraw/zinc/10/62/58/502106258.db2.gz JCAMBHAMJYSJQJ-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000464821803 502106261 /nfs/dbraw/zinc/10/62/61/502106261.db2.gz JCAMBHAMJYSJQJ-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475562183 502214172 /nfs/dbraw/zinc/21/41/72/502214172.db2.gz MQYUSBMVBVJADR-UHFFFAOYSA-N 1 2 374.510 3.128 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnccc2C)c1C ZINC000483034899 502252384 /nfs/dbraw/zinc/25/23/84/502252384.db2.gz HFSZSMYSNQDBCA-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnccc2C)c1C ZINC000483034899 502252387 /nfs/dbraw/zinc/25/23/87/502252387.db2.gz HFSZSMYSNQDBCA-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461960779 502254161 /nfs/dbraw/zinc/25/41/61/502254161.db2.gz SQEZRCZRDVZLPK-RVKKMQEKSA-N 1 2 360.889 3.420 20 30 FGEDLO N#CCCN1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000602798573 506304312 /nfs/dbraw/zinc/30/43/12/506304312.db2.gz LJTAWZGTLZTFRF-UHFFFAOYSA-N 1 2 364.371 3.392 20 30 FGEDLO C=C(CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000479663588 502336277 /nfs/dbraw/zinc/33/62/77/502336277.db2.gz ZHZMUSPRDLEWNI-OAQYLSRUSA-N 1 2 365.477 3.073 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000476069131 502376513 /nfs/dbraw/zinc/37/65/13/502376513.db2.gz GPVDVARUTZBDSE-QUCCMNQESA-N 1 2 362.477 3.374 20 30 FGEDLO N#C[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000483832205 502502989 /nfs/dbraw/zinc/50/29/89/502502989.db2.gz MDKYDJSEMUTVJP-QFIPXVFZSA-N 1 2 361.489 3.264 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000483832205 502502993 /nfs/dbraw/zinc/50/29/93/502502993.db2.gz MDKYDJSEMUTVJP-QFIPXVFZSA-N 1 2 361.489 3.264 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148304 502529230 /nfs/dbraw/zinc/52/92/30/502529230.db2.gz AHECWTVNIGJPCV-XOBRGWDASA-N 1 2 361.436 3.497 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148304 502529235 /nfs/dbraw/zinc/52/92/35/502529235.db2.gz AHECWTVNIGJPCV-XOBRGWDASA-N 1 2 361.436 3.497 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148299 502529270 /nfs/dbraw/zinc/52/92/70/502529270.db2.gz AHECWTVNIGJPCV-VBKZILBWSA-N 1 2 361.436 3.497 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148299 502529274 /nfs/dbraw/zinc/52/92/74/502529274.db2.gz AHECWTVNIGJPCV-VBKZILBWSA-N 1 2 361.436 3.497 20 30 FGEDLO Cc1ccn2cc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)[nH+]c2c1 ZINC000462786010 502572653 /nfs/dbraw/zinc/57/26/53/502572653.db2.gz VDPAQJASIBTLAY-UHFFFAOYSA-N 1 2 358.361 3.005 20 30 FGEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C(F)F)n1 ZINC000462915599 502625158 /nfs/dbraw/zinc/62/51/58/502625158.db2.gz WSJZGBAKXOAQNV-UHFFFAOYSA-N 1 2 365.815 3.205 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(Br)c1 ZINC000480703161 502647136 /nfs/dbraw/zinc/64/71/36/502647136.db2.gz OEXIRDIWRUEDQW-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[nH]1 ZINC000484516506 502658598 /nfs/dbraw/zinc/65/85/98/502658598.db2.gz GYAFHISJHOWWGZ-INIZCTEOSA-N 1 2 360.820 3.246 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000463045049 502672881 /nfs/dbraw/zinc/67/28/81/502672881.db2.gz UIQHHJXRDLJTLF-CVEARBPZSA-N 1 2 369.490 3.292 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000488337435 502688228 /nfs/dbraw/zinc/68/82/28/502688228.db2.gz JEXYWJFPTLJQLH-SPLOXXLWSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@@]12C(=O)Nc1ccccc12 ZINC000488337435 502688234 /nfs/dbraw/zinc/68/82/34/502688234.db2.gz JEXYWJFPTLJQLH-SPLOXXLWSA-N 1 2 360.392 3.152 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2ccc(O)cc2C1)c1cccc(Cl)c1 ZINC000470199322 502703411 /nfs/dbraw/zinc/70/34/11/502703411.db2.gz YACANHNIPADNAP-UHFFFAOYSA-N 1 2 369.852 3.351 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ccc(O)cc2C1)c1cccc(Cl)c1 ZINC000470199322 502703422 /nfs/dbraw/zinc/70/34/22/502703422.db2.gz YACANHNIPADNAP-UHFFFAOYSA-N 1 2 369.852 3.351 20 30 FGEDLO N#CCCN(CCc1cc(Cl)ccc1Cl)CC[NH+]1CCOCC1 ZINC000488441138 502714606 /nfs/dbraw/zinc/71/46/06/502714606.db2.gz RKRMHBMLZGPLBJ-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@@H+](CCc1cc(Cl)ccc1Cl)CCN1CCOCC1 ZINC000488441138 502714608 /nfs/dbraw/zinc/71/46/08/502714608.db2.gz RKRMHBMLZGPLBJ-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@H+](CCc1cc(Cl)ccc1Cl)CCN1CCOCC1 ZINC000488441138 502714614 /nfs/dbraw/zinc/71/46/14/502714614.db2.gz RKRMHBMLZGPLBJ-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO COc1ccccc1-c1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602858355 506330003 /nfs/dbraw/zinc/33/00/03/506330003.db2.gz RKMSTBANHYBFEE-GASCZTMLSA-N 1 2 356.495 3.237 20 30 FGEDLO COc1ccccc1-c1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602858355 506330008 /nfs/dbraw/zinc/33/00/08/506330008.db2.gz RKMSTBANHYBFEE-GASCZTMLSA-N 1 2 356.495 3.237 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481263466 502800569 /nfs/dbraw/zinc/80/05/69/502800569.db2.gz YNPDVCJFVCJHIO-UHFFFAOYSA-N 1 2 374.444 3.190 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000481263466 502800572 /nfs/dbraw/zinc/80/05/72/502800572.db2.gz YNPDVCJFVCJHIO-UHFFFAOYSA-N 1 2 374.444 3.190 20 30 FGEDLO COc1cc(C#N)ccc1OCCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481263466 502800574 /nfs/dbraw/zinc/80/05/74/502800574.db2.gz YNPDVCJFVCJHIO-UHFFFAOYSA-N 1 2 374.444 3.190 20 30 FGEDLO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000488951031 502845809 /nfs/dbraw/zinc/84/58/09/502845809.db2.gz IBPMQXRKYVEQRU-OALUTQOASA-N 1 2 369.509 3.050 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000509258795 502862024 /nfs/dbraw/zinc/86/20/24/502862024.db2.gz ARSBCYQRJIKOKL-UHFFFAOYSA-N 1 2 372.375 3.062 20 30 FGEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000509278855 502866812 /nfs/dbraw/zinc/86/68/12/502866812.db2.gz JUYGPPZSGQGALR-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000506055740 503037721 /nfs/dbraw/zinc/03/77/21/503037721.db2.gz NFBNGMSHYIZIDV-UHFFFAOYSA-N 1 2 369.465 3.135 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506086505 503044231 /nfs/dbraw/zinc/04/42/31/503044231.db2.gz PPFWSZYXKCKXNT-UHFFFAOYSA-N 1 2 365.477 3.283 20 30 FGEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4ccc(C#N)s4)C3)nn2)cc1 ZINC000501710032 503065531 /nfs/dbraw/zinc/06/55/31/503065531.db2.gz XCPXNYSMLHUIAG-UHFFFAOYSA-N 1 2 365.462 3.334 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000490090044 503107579 /nfs/dbraw/zinc/10/75/79/503107579.db2.gz NFAPEOMOOYWOAD-BHDSKKPTSA-N 1 2 362.421 3.255 20 30 FGEDLO C[C@@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593044683 506357047 /nfs/dbraw/zinc/35/70/47/506357047.db2.gz ADOWPMDFXAUDKH-INIZCTEOSA-N 1 2 374.531 3.445 20 30 FGEDLO C[C@@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593044683 506357049 /nfs/dbraw/zinc/35/70/49/506357049.db2.gz ADOWPMDFXAUDKH-INIZCTEOSA-N 1 2 374.531 3.445 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1 ZINC000502494392 503210912 /nfs/dbraw/zinc/21/09/12/503210912.db2.gz JAKHIAZGBWDPBJ-UHFFFAOYSA-N 1 2 364.474 3.231 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1 ZINC000502494392 503210915 /nfs/dbraw/zinc/21/09/15/503210915.db2.gz JAKHIAZGBWDPBJ-UHFFFAOYSA-N 1 2 364.474 3.231 20 30 FGEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000510916808 503217193 /nfs/dbraw/zinc/21/71/93/503217193.db2.gz NMJTZKWUZJGEKF-OAHLLOKOSA-N 1 2 367.371 3.111 20 30 FGEDLO Cc1cccc(-c2noc(C[NH+]3CCN(c4ccccc4C#N)CC3)n2)c1 ZINC000507275935 503266496 /nfs/dbraw/zinc/26/64/96/503266496.db2.gz FETYRFHWSIFBMR-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO N#Cc1cccnc1N1CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000498844421 503273693 /nfs/dbraw/zinc/27/36/93/503273693.db2.gz OJJCBSKFSKDXJN-UHFFFAOYSA-N 1 2 371.444 3.254 20 30 FGEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507306259 503274254 /nfs/dbraw/zinc/27/42/54/503274254.db2.gz QFXDBETXHDCPCT-XSYGEPLQSA-N 1 2 368.525 3.010 20 30 FGEDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507319733 503276801 /nfs/dbraw/zinc/27/68/01/503276801.db2.gz PNXNQFAORXZKTC-MSOLQXFVSA-N 1 2 374.488 3.047 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928807 503309000 /nfs/dbraw/zinc/30/90/00/503309000.db2.gz MONITTCEVBMXBF-MOPGFXCFSA-N 1 2 350.466 3.391 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928807 503309001 /nfs/dbraw/zinc/30/90/01/503309001.db2.gz MONITTCEVBMXBF-MOPGFXCFSA-N 1 2 350.466 3.391 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000515314861 503312937 /nfs/dbraw/zinc/31/29/37/503312937.db2.gz RTFZDFVZIPEQNN-UHFFFAOYSA-N 1 2 355.467 3.202 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000602950224 506364182 /nfs/dbraw/zinc/36/41/82/506364182.db2.gz ZENBKTFGNGOIFG-UHFFFAOYSA-N 1 2 359.426 3.241 20 30 FGEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC000511540089 503340626 /nfs/dbraw/zinc/34/06/26/503340626.db2.gz YREAYJLKQLJTQA-UHFFFAOYSA-N 1 2 354.797 3.344 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503242839 503376201 /nfs/dbraw/zinc/37/62/01/503376201.db2.gz PZPZBYIYIYXLDT-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503242839 503376203 /nfs/dbraw/zinc/37/62/03/503376203.db2.gz PZPZBYIYIYXLDT-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357929 506370746 /nfs/dbraw/zinc/37/07/46/506370746.db2.gz UNTBIMARHQNPIJ-UHFFFAOYSA-N 1 2 365.387 3.414 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602977339 506372315 /nfs/dbraw/zinc/37/23/15/506372315.db2.gz ADUJMHMHIYTBNS-IAQYHMDHSA-N 1 2 357.351 3.085 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602977339 506372318 /nfs/dbraw/zinc/37/23/18/506372318.db2.gz ADUJMHMHIYTBNS-IAQYHMDHSA-N 1 2 357.351 3.085 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000508328958 503475883 /nfs/dbraw/zinc/47/58/83/503475883.db2.gz AWKKSNQABANFHJ-QGZVFWFLSA-N 1 2 363.461 3.303 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000508328958 503475890 /nfs/dbraw/zinc/47/58/90/503475890.db2.gz AWKKSNQABANFHJ-QGZVFWFLSA-N 1 2 363.461 3.303 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000512193443 503481988 /nfs/dbraw/zinc/48/19/88/503481988.db2.gz HYUULRRFOSCFTO-OAHLLOKOSA-N 1 2 374.506 3.185 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000512193443 503481991 /nfs/dbraw/zinc/48/19/91/503481991.db2.gz HYUULRRFOSCFTO-OAHLLOKOSA-N 1 2 374.506 3.185 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000512194203 503482322 /nfs/dbraw/zinc/48/23/22/503482322.db2.gz HAMJJLQEXQEBGC-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000512194203 503482324 /nfs/dbraw/zinc/48/23/24/503482324.db2.gz HAMJJLQEXQEBGC-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000512213009 503487447 /nfs/dbraw/zinc/48/74/47/503487447.db2.gz NCPWLXCUHXQKSG-INIZCTEOSA-N 1 2 372.465 3.494 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000512213009 503487453 /nfs/dbraw/zinc/48/74/53/503487453.db2.gz NCPWLXCUHXQKSG-INIZCTEOSA-N 1 2 372.465 3.494 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000494228215 503507510 /nfs/dbraw/zinc/50/75/10/503507510.db2.gz UKJGTUWQCWLZJN-UXHICEINSA-N 1 2 357.498 3.118 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268879 503516730 /nfs/dbraw/zinc/51/67/30/503516730.db2.gz SHJXGDKMHWTRQM-UHFFFAOYSA-N 1 2 357.267 3.445 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494268879 503516734 /nfs/dbraw/zinc/51/67/34/503516734.db2.gz SHJXGDKMHWTRQM-UHFFFAOYSA-N 1 2 357.267 3.445 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000494395605 503535854 /nfs/dbraw/zinc/53/58/54/503535854.db2.gz UZQRTOSWTOOEGP-CQSZACIVSA-N 1 2 363.259 3.347 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2c[nH+]c3ccc(Cl)cn23)n1 ZINC000512396819 503537098 /nfs/dbraw/zinc/53/70/98/503537098.db2.gz VASKKIQOSVLYRI-UHFFFAOYSA-N 1 2 366.787 3.218 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCc2ccccc21)Cc1cnn(C(C)C)c1 ZINC000512506422 503572871 /nfs/dbraw/zinc/57/28/71/503572871.db2.gz LKYYSHMLRTZMHT-UHFFFAOYSA-N 1 2 352.482 3.431 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1cnn(C(C)C)c1 ZINC000512506422 503572872 /nfs/dbraw/zinc/57/28/72/503572872.db2.gz LKYYSHMLRTZMHT-UHFFFAOYSA-N 1 2 352.482 3.431 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512527194 503576761 /nfs/dbraw/zinc/57/67/61/503576761.db2.gz ORHVFSUCDMGGFB-UHFFFAOYSA-N 1 2 371.441 3.049 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000512527194 503576766 /nfs/dbraw/zinc/57/67/66/503576766.db2.gz ORHVFSUCDMGGFB-UHFFFAOYSA-N 1 2 371.441 3.049 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000500203479 503577466 /nfs/dbraw/zinc/57/74/66/503577466.db2.gz VLQZWQFVKWGHOZ-HNNXBMFYSA-N 1 2 368.506 3.205 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1C#N ZINC000504581529 503591876 /nfs/dbraw/zinc/59/18/76/503591876.db2.gz BWTUUZXSQZKXQT-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1C#N ZINC000504581529 503591881 /nfs/dbraw/zinc/59/18/81/503591881.db2.gz BWTUUZXSQZKXQT-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO C=CCn1c(CCCC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508955290 503607214 /nfs/dbraw/zinc/60/72/14/503607214.db2.gz FHIMKYGFQDDZCA-OAHLLOKOSA-N 1 2 360.531 3.146 20 30 FGEDLO COc1ccc(C(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000509024177 503623044 /nfs/dbraw/zinc/62/30/44/503623044.db2.gz UJRPMPSRBPNTGW-NRFANRHFSA-N 1 2 350.418 3.213 20 30 FGEDLO COc1ccc(C(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000509024177 503623046 /nfs/dbraw/zinc/62/30/46/503623046.db2.gz UJRPMPSRBPNTGW-NRFANRHFSA-N 1 2 350.418 3.213 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cccc(C#N)c2Br)CC1(C)C ZINC000517293596 503707030 /nfs/dbraw/zinc/70/70/30/503707030.db2.gz FMTKPJDJEUILTE-AWEZNQCLSA-N 1 2 373.254 3.278 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2)ccn1 ZINC000518015978 503889752 /nfs/dbraw/zinc/88/97/52/503889752.db2.gz WKWBMPOTLSJHGX-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cc2)ccn1 ZINC000518015978 503889756 /nfs/dbraw/zinc/88/97/56/503889756.db2.gz WKWBMPOTLSJHGX-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546821083 503890329 /nfs/dbraw/zinc/89/03/29/503890329.db2.gz RMNMLEZFHLFTND-LBPRGKRZSA-N 1 2 366.259 3.003 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@]3(CCCCO3)[C@@H]1C#N)C2 ZINC000530309191 503920187 /nfs/dbraw/zinc/92/01/87/503920187.db2.gz HTHMZNWHGMOHAN-YWMUFLPLSA-N 1 2 370.497 3.092 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@]3(CCCCO3)[C@@H]1C#N)CC2 ZINC000530309191 503920190 /nfs/dbraw/zinc/92/01/90/503920190.db2.gz HTHMZNWHGMOHAN-YWMUFLPLSA-N 1 2 370.497 3.092 20 30 FGEDLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990569 504011416 /nfs/dbraw/zinc/01/14/16/504011416.db2.gz JSYMBETXTSTVKA-UYAOXDASSA-N 1 2 357.498 3.440 20 30 FGEDLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990569 504011417 /nfs/dbraw/zinc/01/14/17/504011417.db2.gz JSYMBETXTSTVKA-UYAOXDASSA-N 1 2 357.498 3.440 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C#N ZINC000534469668 504151080 /nfs/dbraw/zinc/15/10/80/504151080.db2.gz LBHVKCSCSKIGPB-RXBISOJRSA-N 1 2 370.474 3.275 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C#N ZINC000534469668 504151084 /nfs/dbraw/zinc/15/10/84/504151084.db2.gz LBHVKCSCSKIGPB-RXBISOJRSA-N 1 2 370.474 3.275 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000541553797 504174204 /nfs/dbraw/zinc/17/42/04/504174204.db2.gz WELUAAMXPIZQJG-OKZBNKHCSA-N 1 2 365.905 3.366 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000541553797 504174211 /nfs/dbraw/zinc/17/42/11/504174211.db2.gz WELUAAMXPIZQJG-OKZBNKHCSA-N 1 2 365.905 3.366 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000528518803 504258209 /nfs/dbraw/zinc/25/82/09/504258209.db2.gz SFYLMXVOCFJCMC-INIZCTEOSA-N 1 2 360.816 3.149 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000528518803 504258213 /nfs/dbraw/zinc/25/82/13/504258213.db2.gz SFYLMXVOCFJCMC-INIZCTEOSA-N 1 2 360.816 3.149 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788622 504371600 /nfs/dbraw/zinc/37/16/00/504371600.db2.gz QUWJLGMBPXPLSO-LSDHHAIUSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788622 504371602 /nfs/dbraw/zinc/37/16/02/504371602.db2.gz QUWJLGMBPXPLSO-LSDHHAIUSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797796 504387188 /nfs/dbraw/zinc/38/71/88/504387188.db2.gz OWWXDJNLYXUTGQ-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797796 504387195 /nfs/dbraw/zinc/38/71/95/504387195.db2.gz OWWXDJNLYXUTGQ-GFCCVEGCSA-N 1 2 351.372 3.014 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000548302672 504392445 /nfs/dbraw/zinc/39/24/45/504392445.db2.gz POUYIMMEPHUDBP-HXUWFJFHSA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000548302672 504392452 /nfs/dbraw/zinc/39/24/52/504392452.db2.gz POUYIMMEPHUDBP-HXUWFJFHSA-N 1 2 352.434 3.043 20 30 FGEDLO Cc1cccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000538857834 504395210 /nfs/dbraw/zinc/39/52/10/504395210.db2.gz MHJODRSSHCRFQB-NRFANRHFSA-N 1 2 371.440 3.288 20 30 FGEDLO Cc1cccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000538857834 504395214 /nfs/dbraw/zinc/39/52/14/504395214.db2.gz MHJODRSSHCRFQB-NRFANRHFSA-N 1 2 371.440 3.288 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3sccc3Br)CC2)n1 ZINC000545502466 504507716 /nfs/dbraw/zinc/50/77/16/504507716.db2.gz GPDTZTOZLRYFQI-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)Cc1ccccc1F ZINC000520480163 504509594 /nfs/dbraw/zinc/50/95/94/504509594.db2.gz XCDXFHKBFLOPOM-UHFFFAOYSA-N 1 2 356.441 3.317 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCOc1cccc(C)c1)Cc1ccccc1F ZINC000520480163 504509598 /nfs/dbraw/zinc/50/95/98/504509598.db2.gz XCDXFHKBFLOPOM-UHFFFAOYSA-N 1 2 356.441 3.317 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)n1 ZINC000545505640 504509666 /nfs/dbraw/zinc/50/96/66/504509666.db2.gz VNVRIAVOLJCISO-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CCCCC#N)c1ccccc1Cl ZINC000520517536 504518407 /nfs/dbraw/zinc/51/84/07/504518407.db2.gz YAUALWHXVVRJQB-QGZVFWFLSA-N 1 2 371.934 3.336 20 30 FGEDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000535863033 504566043 /nfs/dbraw/zinc/56/60/43/504566043.db2.gz PMMUSSKWFXSXPZ-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO COCc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC000529214969 504587168 /nfs/dbraw/zinc/58/71/68/504587168.db2.gz AYOMFEWBSQFSMR-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000542879118 504644841 /nfs/dbraw/zinc/64/48/41/504644841.db2.gz MUYUKEOMCIDLKO-UHFFFAOYSA-N 1 2 356.495 3.453 20 30 FGEDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000529667381 504756329 /nfs/dbraw/zinc/75/63/29/504756329.db2.gz UPQGPJRYEXXGGD-QFIPXVFZSA-N 1 2 366.461 3.375 20 30 FGEDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000529667381 504756331 /nfs/dbraw/zinc/75/63/31/504756331.db2.gz UPQGPJRYEXXGGD-QFIPXVFZSA-N 1 2 366.461 3.375 20 30 FGEDLO C=CCOCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000559144798 504790951 /nfs/dbraw/zinc/79/09/51/504790951.db2.gz VSBPCKDAYKRKDE-UHFFFAOYSA-N 1 2 359.857 3.378 20 30 FGEDLO C=CCOCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000559144798 504790953 /nfs/dbraw/zinc/79/09/53/504790953.db2.gz VSBPCKDAYKRKDE-UHFFFAOYSA-N 1 2 359.857 3.378 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000559299751 504824451 /nfs/dbraw/zinc/82/44/51/504824451.db2.gz MSYJXMCYDBNFMB-RHSMWYFYSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000559299751 504824454 /nfs/dbraw/zinc/82/44/54/504824454.db2.gz MSYJXMCYDBNFMB-RHSMWYFYSA-N 1 2 355.438 3.354 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000565369592 504867158 /nfs/dbraw/zinc/86/71/58/504867158.db2.gz GVNZCLQLXMPWNN-RTBURBONSA-N 1 2 362.901 3.274 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562609385 504878215 /nfs/dbraw/zinc/87/82/15/504878215.db2.gz OQRZKUPHLCIDFN-BXKDBHETSA-N 1 2 365.315 3.481 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556534729 504899543 /nfs/dbraw/zinc/89/95/43/504899543.db2.gz WIYGVPWDGRZWHH-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556534729 504899547 /nfs/dbraw/zinc/89/95/47/504899547.db2.gz WIYGVPWDGRZWHH-CQSZACIVSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCCCCS(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000562740314 504928944 /nfs/dbraw/zinc/92/89/44/504928944.db2.gz MTBIFPASVRVDDY-UHFFFAOYSA-N 1 2 357.273 3.368 20 30 FGEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000566013018 505055294 /nfs/dbraw/zinc/05/52/94/505055294.db2.gz CCUDEOIUBQUJEV-BDJLRTHQSA-N 1 2 370.266 3.042 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC(C3CCC3)C3CCC3)CC2)cc1 ZINC000554001072 505064430 /nfs/dbraw/zinc/06/44/30/505064430.db2.gz MUTZFURIFRIQGY-UHFFFAOYSA-N 1 2 366.509 3.354 20 30 FGEDLO N#Cc1c(F)cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000560453217 505090452 /nfs/dbraw/zinc/09/04/52/505090452.db2.gz VCGHGFKXBPKSMH-UHFFFAOYSA-N 1 2 352.344 3.011 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Sc2ccccc2C#N)cc1 ZINC000566128404 505090990 /nfs/dbraw/zinc/09/09/90/505090990.db2.gz CGYSNNBFRPPFQT-GOSISDBHSA-N 1 2 366.490 3.328 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Sc2ccccc2C#N)cc1 ZINC000566128404 505090996 /nfs/dbraw/zinc/09/09/96/505090996.db2.gz CGYSNNBFRPPFQT-GOSISDBHSA-N 1 2 366.490 3.328 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000560686999 505161067 /nfs/dbraw/zinc/16/10/67/505161067.db2.gz FTZRRWHESSXUML-UHFFFAOYSA-N 1 2 366.440 3.179 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1F ZINC000551388265 505215187 /nfs/dbraw/zinc/21/51/87/505215187.db2.gz FCOQTNMUCJBWIO-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccccc1F ZINC000551388265 505215193 /nfs/dbraw/zinc/21/51/93/505215193.db2.gz FCOQTNMUCJBWIO-CQSZACIVSA-N 1 2 362.474 3.083 20 30 FGEDLO C=CCn1cccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000554799748 505268027 /nfs/dbraw/zinc/26/80/27/505268027.db2.gz KOAZCAGWMCIBHK-GOSISDBHSA-N 1 2 350.422 3.298 20 30 FGEDLO C=CCn1cccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000554799748 505268032 /nfs/dbraw/zinc/26/80/32/505268032.db2.gz KOAZCAGWMCIBHK-GOSISDBHSA-N 1 2 350.422 3.298 20 30 FGEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000558061406 505299291 /nfs/dbraw/zinc/29/92/91/505299291.db2.gz USUCVRIVDXEBPE-QGZVFWFLSA-N 1 2 364.287 3.079 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000558061406 505299298 /nfs/dbraw/zinc/29/92/98/505299298.db2.gz USUCVRIVDXEBPE-QGZVFWFLSA-N 1 2 364.287 3.079 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1Cc3cccnc3C1)CCCC2 ZINC000561274097 505300719 /nfs/dbraw/zinc/30/07/19/505300719.db2.gz WQFBHRVRVLAYFB-UHFFFAOYSA-N 1 2 352.463 3.238 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1Cc3cccnc3C1)CCCC2 ZINC000561274097 505300723 /nfs/dbraw/zinc/30/07/23/505300723.db2.gz WQFBHRVRVLAYFB-UHFFFAOYSA-N 1 2 352.463 3.238 20 30 FGEDLO CCn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(F)ccc21 ZINC000564028505 505306211 /nfs/dbraw/zinc/30/62/11/505306211.db2.gz AVLKUJKVAJZSRI-MRXNPFEDSA-N 1 2 365.412 3.115 20 30 FGEDLO CCn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(F)ccc21 ZINC000564028505 505306215 /nfs/dbraw/zinc/30/62/15/505306215.db2.gz AVLKUJKVAJZSRI-MRXNPFEDSA-N 1 2 365.412 3.115 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000564142524 505336681 /nfs/dbraw/zinc/33/66/81/505336681.db2.gz OMXBSKLWHRNEKQ-GOSISDBHSA-N 1 2 369.852 3.451 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558587530 505431502 /nfs/dbraw/zinc/43/15/02/505431502.db2.gz IBYPBNDCNOIELG-MRXNPFEDSA-N 1 2 366.465 3.199 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000552241310 505438205 /nfs/dbraw/zinc/43/82/05/505438205.db2.gz JUXGWGPKEASGAZ-LLVKDONJSA-N 1 2 357.907 3.402 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000552241310 505438210 /nfs/dbraw/zinc/43/82/10/505438210.db2.gz JUXGWGPKEASGAZ-LLVKDONJSA-N 1 2 357.907 3.402 20 30 FGEDLO N#CCC(=O)N1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000567402897 505452524 /nfs/dbraw/zinc/45/25/24/505452524.db2.gz AESOOARDCOMWIW-UHFFFAOYSA-N 1 2 358.294 3.143 20 30 FGEDLO COC(=O)CCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000561865072 505454468 /nfs/dbraw/zinc/45/44/68/505454468.db2.gz NZNKDOSVRZHRLG-UHFFFAOYSA-N 1 2 365.271 3.486 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC000567804113 505564478 /nfs/dbraw/zinc/56/44/78/505564478.db2.gz OUVYABHGLJJWHG-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000593097273 506391219 /nfs/dbraw/zinc/39/12/19/506391219.db2.gz XHYHHNABYBTKFI-AWEZNQCLSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000593097273 506391228 /nfs/dbraw/zinc/39/12/28/506391228.db2.gz XHYHHNABYBTKFI-AWEZNQCLSA-N 1 2 363.483 3.145 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000596428854 506400567 /nfs/dbraw/zinc/40/05/67/506400567.db2.gz UNWIQLSKTTTYOR-FUHWJXTLSA-N 1 2 351.454 3.039 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603114427 506425557 /nfs/dbraw/zinc/42/55/57/506425557.db2.gz QREPANRTIICWHM-UHFFFAOYSA-N 1 2 374.448 3.211 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000582958791 506510971 /nfs/dbraw/zinc/51/09/71/506510971.db2.gz IIOCCXQNKCYSJU-JKSUJKDBSA-N 1 2 373.522 3.399 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000582958791 506510976 /nfs/dbraw/zinc/51/09/76/506510976.db2.gz IIOCCXQNKCYSJU-JKSUJKDBSA-N 1 2 373.522 3.399 20 30 FGEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(Br)c1OC ZINC000589311403 506513568 /nfs/dbraw/zinc/51/35/68/506513568.db2.gz WEXOXRNZRBPBEF-UHFFFAOYSA-N 1 2 368.256 3.084 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cn2)cc1 ZINC000589321926 506516647 /nfs/dbraw/zinc/51/66/47/506516647.db2.gz MYIQNTJKLDMYET-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cn2)cc1 ZINC000589321926 506516653 /nfs/dbraw/zinc/51/66/53/506516653.db2.gz MYIQNTJKLDMYET-CQSZACIVSA-N 1 2 374.404 3.148 20 30 FGEDLO N#Cc1cccc2c1CN(C(=O)NCc1cc[nH+]c(N3CCCCC3)c1)C2 ZINC000593300106 506522784 /nfs/dbraw/zinc/52/27/84/506522784.db2.gz LMXMSVFRTIBIEV-UHFFFAOYSA-N 1 2 361.449 3.169 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCC1)c1cccc(F)c1 ZINC000593303586 506525682 /nfs/dbraw/zinc/52/56/82/506525682.db2.gz XKYWGYJCCNQZCD-MRXNPFEDSA-N 1 2 355.417 3.032 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H](CC#N)C2)C[C@@H](C)O1 ZINC000596695779 506543827 /nfs/dbraw/zinc/54/38/27/506543827.db2.gz BNJLDQQRSBXIRZ-KURKYZTESA-N 1 2 370.497 3.453 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000599636181 506543955 /nfs/dbraw/zinc/54/39/55/506543955.db2.gz YEUQUFAUGUUOOH-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000599636181 506543958 /nfs/dbraw/zinc/54/39/58/506543958.db2.gz YEUQUFAUGUUOOH-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000603558312 506554589 /nfs/dbraw/zinc/55/45/89/506554589.db2.gz YZSMSWOPUPHOCW-OAHLLOKOSA-N 1 2 362.433 3.190 20 30 FGEDLO Cc1cc(C)c(C#N)c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000603858705 506639490 /nfs/dbraw/zinc/63/94/90/506639490.db2.gz VEJGZWZEGVJTCN-HZPDHXFCSA-N 1 2 351.454 3.191 20 30 FGEDLO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1[nH+]ccn1C ZINC000596894949 506661337 /nfs/dbraw/zinc/66/13/37/506661337.db2.gz SGWGSWMQPMODSA-VIFPVBQESA-N 1 2 353.304 3.073 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2conc2CC)cc1 ZINC000590199996 506762685 /nfs/dbraw/zinc/76/26/85/506762685.db2.gz MAWYXPGEGSUMSM-UHFFFAOYSA-N 1 2 370.453 3.014 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2conc2CC)cc1 ZINC000590199996 506762693 /nfs/dbraw/zinc/76/26/93/506762693.db2.gz MAWYXPGEGSUMSM-UHFFFAOYSA-N 1 2 370.453 3.014 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000609130903 506786785 /nfs/dbraw/zinc/78/67/85/506786785.db2.gz BHIPJNYRDRIOJE-AWEZNQCLSA-N 1 2 367.478 3.226 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597120021 506787171 /nfs/dbraw/zinc/78/71/71/506787171.db2.gz BSWQKNVFGCCLKY-UHFFFAOYSA-N 1 2 355.482 3.204 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121526 506787245 /nfs/dbraw/zinc/78/72/45/506787245.db2.gz OZQMTCFAONQTAX-IBGZPJMESA-N 1 2 350.466 3.166 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121526 506787250 /nfs/dbraw/zinc/78/72/50/506787250.db2.gz OZQMTCFAONQTAX-IBGZPJMESA-N 1 2 350.466 3.166 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1 ZINC000590417317 506816463 /nfs/dbraw/zinc/81/64/63/506816463.db2.gz VZLNVBXYCPBLIN-UHFFFAOYSA-N 1 2 370.412 3.474 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000597184656 506822746 /nfs/dbraw/zinc/82/27/46/506822746.db2.gz XNIFLOQTTWTFJJ-UHFFFAOYSA-N 1 2 367.453 3.471 20 30 FGEDLO N#CCCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000593950074 506845001 /nfs/dbraw/zinc/84/50/01/506845001.db2.gz ACTSHRHERIUVHY-UHFFFAOYSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1cc(N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c(C#N)c[nH+]1 ZINC000583560888 506848750 /nfs/dbraw/zinc/84/87/50/506848750.db2.gz YQPPFHOPAYNNJV-INIZCTEOSA-N 1 2 363.465 3.113 20 30 FGEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000590600266 506876519 /nfs/dbraw/zinc/87/65/19/506876519.db2.gz IEMJCPNPRNNHCP-MRXNPFEDSA-N 1 2 374.916 3.193 20 30 FGEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000590600266 506876521 /nfs/dbraw/zinc/87/65/21/506876521.db2.gz IEMJCPNPRNNHCP-MRXNPFEDSA-N 1 2 374.916 3.193 20 30 FGEDLO CC(C)C[C@@H](NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609538326 506912729 /nfs/dbraw/zinc/91/27/29/506912729.db2.gz QHWGLPKQQKLXPE-NHCUHLMSSA-N 1 2 370.541 3.056 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564120 506924186 /nfs/dbraw/zinc/92/41/86/506924186.db2.gz JIZWQXMXWHOLNG-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000609564556 506924198 /nfs/dbraw/zinc/92/41/98/506924198.db2.gz AQZMZTBHMZXGOY-HXUWFJFHSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC2(C#N)CCOCC2)c(C)c1 ZINC000597426180 506947106 /nfs/dbraw/zinc/94/71/06/506947106.db2.gz HIGUXFFDUPGWCP-LJQANCHMSA-N 1 2 366.465 3.068 20 30 FGEDLO N#CCCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000594294454 507067679 /nfs/dbraw/zinc/06/76/79/507067679.db2.gz CMRVUCHYFOXKER-UHFFFAOYSA-N 1 2 373.888 3.106 20 30 FGEDLO N#CCCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000594294454 507067686 /nfs/dbraw/zinc/06/76/86/507067686.db2.gz CMRVUCHYFOXKER-UHFFFAOYSA-N 1 2 373.888 3.106 20 30 FGEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1csnn1 ZINC000591053389 507093867 /nfs/dbraw/zinc/09/38/67/507093867.db2.gz LMWQSUAVNVSSSN-JTQLQIEISA-N 1 2 361.496 3.029 20 30 FGEDLO Cc1cc(-c2cnc3[nH]cc(C#N)c3c2)ccc1OCC[NH+]1CCOCC1 ZINC000600779204 507117654 /nfs/dbraw/zinc/11/76/54/507117654.db2.gz PSKCRRVYNSLWDG-UHFFFAOYSA-N 1 2 362.433 3.121 20 30 FGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610389869 507224337 /nfs/dbraw/zinc/22/43/37/507224337.db2.gz JSABQVWKYNXWEC-ZDUSSCGKSA-N 1 2 367.409 3.215 20 30 FGEDLO N#Cc1cc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)nc(C2CC2)n1 ZINC000601139609 507275761 /nfs/dbraw/zinc/27/57/61/507275761.db2.gz JXPBFRVPXJDZRN-UHFFFAOYSA-N 1 2 360.396 3.113 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000592039115 507461797 /nfs/dbraw/zinc/46/17/97/507461797.db2.gz CWLMKIDQAHUQDE-FGZHOGPDSA-N 1 2 374.488 3.189 20 30 FGEDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccncc3C#N)C2)cc(OC)c1 ZINC000592082710 507476155 /nfs/dbraw/zinc/47/61/55/507476155.db2.gz OOQYWZMIAXRQLR-QGZVFWFLSA-N 1 2 352.438 3.047 20 30 FGEDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)cc(OC)c1 ZINC000592082710 507476162 /nfs/dbraw/zinc/47/61/62/507476162.db2.gz OOQYWZMIAXRQLR-QGZVFWFLSA-N 1 2 352.438 3.047 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)c1 ZINC000611012299 507482115 /nfs/dbraw/zinc/48/21/15/507482115.db2.gz LEOXOEPSJMPUIS-HNNXBMFYSA-N 1 2 359.389 3.143 20 30 FGEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCCC1 ZINC000601856324 507490619 /nfs/dbraw/zinc/49/06/19/507490619.db2.gz TYQODCZNQRPQHZ-UHFFFAOYSA-N 1 2 358.511 3.115 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)n1 ZINC000595434626 507496399 /nfs/dbraw/zinc/49/63/99/507496399.db2.gz CNZVATPFGARXKN-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000614400873 507497342 /nfs/dbraw/zinc/49/73/42/507497342.db2.gz LQDUFGBDIUGSNQ-UHFFFAOYSA-N 1 2 353.853 3.365 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000614400873 507497345 /nfs/dbraw/zinc/49/73/45/507497345.db2.gz LQDUFGBDIUGSNQ-UHFFFAOYSA-N 1 2 353.853 3.365 20 30 FGEDLO N#Cc1cnccc1C[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000592145541 507506975 /nfs/dbraw/zinc/50/69/75/507506975.db2.gz VCXRSGJATYFFKF-INIZCTEOSA-N 1 2 351.328 3.065 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000592152488 507508953 /nfs/dbraw/zinc/50/89/53/507508953.db2.gz YBEKYOCNOXGPPB-MRXNPFEDSA-N 1 2 351.328 3.211 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000592152488 507508957 /nfs/dbraw/zinc/50/89/57/507508957.db2.gz YBEKYOCNOXGPPB-MRXNPFEDSA-N 1 2 351.328 3.211 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148834 507509411 /nfs/dbraw/zinc/50/94/11/507509411.db2.gz CQOFOZUPYRHDHL-IIBYNOLFSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148834 507509419 /nfs/dbraw/zinc/50/94/19/507509419.db2.gz CQOFOZUPYRHDHL-IIBYNOLFSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157073 507512804 /nfs/dbraw/zinc/51/28/04/507512804.db2.gz KSPWUIJKYFFNHY-OAHLLOKOSA-N 1 2 371.481 3.329 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157072 507513226 /nfs/dbraw/zinc/51/32/26/507513226.db2.gz KSPWUIJKYFFNHY-HNNXBMFYSA-N 1 2 371.481 3.329 20 30 FGEDLO C=CCCCCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000606917551 507555983 /nfs/dbraw/zinc/55/59/83/507555983.db2.gz HCVZTEGYHSPYCC-FQEVSTJZSA-N 1 2 359.514 3.448 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571359 507567847 /nfs/dbraw/zinc/56/78/47/507567847.db2.gz ZHGLUOIOSCKUSR-LZLYRXPVSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571359 507567853 /nfs/dbraw/zinc/56/78/53/507567853.db2.gz ZHGLUOIOSCKUSR-LZLYRXPVSA-N 1 2 364.852 3.169 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3cccnc3)CC2)c(C#N)c1C ZINC000611258457 507585897 /nfs/dbraw/zinc/58/58/97/507585897.db2.gz QLVVRMJTWWFLFW-CQSZACIVSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC000595614989 507591235 /nfs/dbraw/zinc/59/12/35/507591235.db2.gz NSDNUYRYVWTCLM-ZDUSSCGKSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC000595614989 507591242 /nfs/dbraw/zinc/59/12/42/507591242.db2.gz NSDNUYRYVWTCLM-ZDUSSCGKSA-N 1 2 350.260 3.322 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602165396 507612049 /nfs/dbraw/zinc/61/20/49/507612049.db2.gz FCIIHQYCPOWDPR-NILFDRSVSA-N 1 2 362.355 3.473 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602165396 507612055 /nfs/dbraw/zinc/61/20/55/507612055.db2.gz FCIIHQYCPOWDPR-NILFDRSVSA-N 1 2 362.355 3.473 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1C#N ZINC000611347832 507632091 /nfs/dbraw/zinc/63/20/91/507632091.db2.gz JZCSFGICXZMWJV-HXUWFJFHSA-N 1 2 360.465 3.431 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1C#N ZINC000611347832 507632098 /nfs/dbraw/zinc/63/20/98/507632098.db2.gz JZCSFGICXZMWJV-HXUWFJFHSA-N 1 2 360.465 3.431 20 30 FGEDLO Cc1nc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cs1 ZINC000595725667 507648137 /nfs/dbraw/zinc/64/81/37/507648137.db2.gz GYGLWOQJQYIZRQ-UHFFFAOYSA-N 1 2 364.478 3.036 20 30 FGEDLO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000595769213 507676426 /nfs/dbraw/zinc/67/64/26/507676426.db2.gz SXKXHHTZYVJNNC-LJQANCHMSA-N 1 2 355.463 3.230 20 30 FGEDLO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)c1 ZINC000595769213 507676429 /nfs/dbraw/zinc/67/64/29/507676429.db2.gz SXKXHHTZYVJNNC-LJQANCHMSA-N 1 2 355.463 3.230 20 30 FGEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)cc2)CC1 ZINC000611472341 507696532 /nfs/dbraw/zinc/69/65/32/507696532.db2.gz FISCQBSATKTJTQ-UHFFFAOYSA-N 1 2 351.475 3.261 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587066680 507705386 /nfs/dbraw/zinc/70/53/86/507705386.db2.gz XQDFDYFBQBPHQX-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844489 507710171 /nfs/dbraw/zinc/71/01/71/507710171.db2.gz UBADCJFMFVEACZ-SJLPKXTDSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844489 507710173 /nfs/dbraw/zinc/71/01/73/507710173.db2.gz UBADCJFMFVEACZ-SJLPKXTDSA-N 1 2 365.399 3.432 20 30 FGEDLO CC(C)(C)c1nc(NC2CCC(Oc3ncccc3C#N)CC2)cc[nH+]1 ZINC000614982709 507713998 /nfs/dbraw/zinc/71/39/98/507713998.db2.gz AOSOMMNNHUQMBF-UHFFFAOYSA-N 1 2 351.454 3.265 20 30 FGEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000602455752 507716476 /nfs/dbraw/zinc/71/64/76/507716476.db2.gz SNKUWCZOYSGCBP-NRFANRHFSA-N 1 2 372.476 3.113 20 30 FGEDLO Cc1cccn2cc(CCNc3nc4cc(Cl)ccn4c3C#N)[nH+]c12 ZINC000587990046 507726269 /nfs/dbraw/zinc/72/62/69/507726269.db2.gz TXOMYBQALAHKBO-UHFFFAOYSA-N 1 2 350.813 3.470 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552801 507736122 /nfs/dbraw/zinc/73/61/22/507736122.db2.gz LNRCBDSRSVXINC-FQEVSTJZSA-N 1 2 364.424 3.088 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919412 608652729 /nfs/dbraw/zinc/65/27/29/608652729.db2.gz FEDHKBIIGLTESK-UHFFFAOYSA-N 1 2 356.411 3.025 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919412 608652731 /nfs/dbraw/zinc/65/27/31/608652731.db2.gz FEDHKBIIGLTESK-UHFFFAOYSA-N 1 2 356.411 3.025 20 30 FGEDLO NC(=[NH+]OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000028774846 695705915 /nfs/dbraw/zinc/70/59/15/695705915.db2.gz CYBDMZCMEJKPDV-UHFFFAOYSA-N 1 2 351.378 3.277 20 30 FGEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000029464243 695713323 /nfs/dbraw/zinc/71/33/23/695713323.db2.gz CFJZLFXBNSQGES-UHFFFAOYSA-N 1 2 356.184 3.408 20 30 FGEDLO C[C@H](NC(=O)CO[NH+]=C(N)Cc1ccccc1Cl)c1cccs1 ZINC000119863170 700641368 /nfs/dbraw/zinc/64/13/68/700641368.db2.gz PHITXYFLDKRXTF-NSHDSACASA-N 1 2 351.859 3.110 20 30 FGEDLO C=CCn1c(C2CC2)nn(CN2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121658090 700677273 /nfs/dbraw/zinc/67/72/73/700677273.db2.gz PVBWVEAKBBWRGX-ZBFHGGJFSA-N 1 2 358.515 3.215 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180566846 705747598 /nfs/dbraw/zinc/74/75/98/705747598.db2.gz KDUQWJMZJGDEFX-IRXDYDNUSA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180566846 705747600 /nfs/dbraw/zinc/74/76/00/705747600.db2.gz KDUQWJMZJGDEFX-IRXDYDNUSA-N 1 2 351.853 3.327 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000526058627 714400808 /nfs/dbraw/zinc/40/08/08/714400808.db2.gz PNHXLSSRZHKSSG-UKRRQHHQSA-N 1 2 354.479 3.384 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000526058627 714400810 /nfs/dbraw/zinc/40/08/10/714400810.db2.gz PNHXLSSRZHKSSG-UKRRQHHQSA-N 1 2 354.479 3.384 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1Cl ZINC000619755872 714866985 /nfs/dbraw/zinc/86/69/85/714866985.db2.gz XAVJRWXHOSJPNO-MRXNPFEDSA-N 1 2 364.829 3.359 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3Br)s2)N1 ZINC000779794749 724427288 /nfs/dbraw/zinc/42/72/88/724427288.db2.gz MNIXFDXOVHJNEK-JTQLQIEISA-N 1 2 363.284 3.449 20 30 FGEDLO O[C@H](C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F ZINC000644677008 718140889 /nfs/dbraw/zinc/14/08/89/718140889.db2.gz IIRBIRIAICAGTH-SCSAIBSYSA-N 1 2 370.062 3.018 20 30 FGEDLO FC(F)Cn1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cn1 ZINC000646099190 718263365 /nfs/dbraw/zinc/26/33/65/718263365.db2.gz LRTQXNBOPKMZIB-DTORHVGOSA-N 1 2 351.241 3.321 20 30 FGEDLO FC(F)Cn1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cn1 ZINC000646099190 718263368 /nfs/dbraw/zinc/26/33/68/718263368.db2.gz LRTQXNBOPKMZIB-DTORHVGOSA-N 1 2 351.241 3.321 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782209438 724638768 /nfs/dbraw/zinc/63/87/68/724638768.db2.gz FZXGNFONHDHZEZ-GOEBONIOSA-N 1 2 357.445 3.279 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782209438 724638771 /nfs/dbraw/zinc/63/87/71/724638771.db2.gz FZXGNFONHDHZEZ-GOEBONIOSA-N 1 2 357.445 3.279 20 30 FGEDLO COc1ccc(C(=O)CC[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000661195598 720205657 /nfs/dbraw/zinc/20/56/57/720205657.db2.gz KMHQQGJWBVSESJ-UHFFFAOYSA-N 1 2 355.463 3.023 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000783533339 724762211 /nfs/dbraw/zinc/76/22/11/724762211.db2.gz YPAKDZWWKYOANX-IBGZPJMESA-N 1 2 356.447 3.108 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccsc2)c1 ZINC000783535893 724762627 /nfs/dbraw/zinc/76/26/27/724762627.db2.gz WSGBLPWXQHGEJW-UHFFFAOYSA-N 1 2 350.447 3.190 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccsc2)c1 ZINC000783535893 724762631 /nfs/dbraw/zinc/76/26/31/724762631.db2.gz WSGBLPWXQHGEJW-UHFFFAOYSA-N 1 2 350.447 3.190 20 30 FGEDLO S=C1N=NC(c2ccccc2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783800313 724792091 /nfs/dbraw/zinc/79/20/91/724792091.db2.gz RBSSRIKUSMJYEE-UHFFFAOYSA-N 1 2 352.448 3.363 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(OC)cc2)CC1 ZINC001165034212 721873484 /nfs/dbraw/zinc/87/34/84/721873484.db2.gz HDWYHLMIGAHOEZ-UHFFFAOYSA-N 1 2 360.845 3.239 20 30 FGEDLO NC(=[NH+]OCCOc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000727487940 722445026 /nfs/dbraw/zinc/44/50/26/722445026.db2.gz CIDVYFDZYWACBO-UHFFFAOYSA-N 1 2 353.191 3.304 20 30 FGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000729812404 722462781 /nfs/dbraw/zinc/46/27/81/722462781.db2.gz UVOSQWDZQHJHGZ-MRXNPFEDSA-N 1 2 358.438 3.127 20 30 FGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000729812404 722462782 /nfs/dbraw/zinc/46/27/82/722462782.db2.gz UVOSQWDZQHJHGZ-MRXNPFEDSA-N 1 2 358.438 3.127 20 30 FGEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000746456747 722603527 /nfs/dbraw/zinc/60/35/27/722603527.db2.gz HOZMZWNDVXMKSQ-OAHLLOKOSA-N 1 2 357.504 3.442 20 30 FGEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000746456747 722603530 /nfs/dbraw/zinc/60/35/30/722603530.db2.gz HOZMZWNDVXMKSQ-OAHLLOKOSA-N 1 2 357.504 3.442 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799233 722741686 /nfs/dbraw/zinc/74/16/86/722741686.db2.gz VECKDIXQKOEVCV-CABCVRRESA-N 1 2 360.483 3.176 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccco1 ZINC000749799233 722741690 /nfs/dbraw/zinc/74/16/90/722741690.db2.gz VECKDIXQKOEVCV-CABCVRRESA-N 1 2 360.483 3.176 20 30 FGEDLO Brc1cncc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000758122633 722984682 /nfs/dbraw/zinc/98/46/82/722984682.db2.gz NQJKVQIXHSGQER-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000763951072 723380761 /nfs/dbraw/zinc/38/07/61/723380761.db2.gz QFCZOLYSMWKUMB-NRFANRHFSA-N 1 2 350.487 3.320 20 30 FGEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000763951072 723380765 /nfs/dbraw/zinc/38/07/65/723380765.db2.gz QFCZOLYSMWKUMB-NRFANRHFSA-N 1 2 350.487 3.320 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000766317159 723568029 /nfs/dbraw/zinc/56/80/29/723568029.db2.gz AFXOQIGDQJZKNM-MSOLQXFVSA-N 1 2 365.905 3.318 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000766317159 723568032 /nfs/dbraw/zinc/56/80/32/723568032.db2.gz AFXOQIGDQJZKNM-MSOLQXFVSA-N 1 2 365.905 3.318 20 30 FGEDLO S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1cccc2[nH+]ccn21 ZINC000771086897 723727659 /nfs/dbraw/zinc/72/76/59/723727659.db2.gz AYJJQBBYQCNZMT-UHFFFAOYSA-N 1 2 354.826 3.417 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000773896012 723836447 /nfs/dbraw/zinc/83/64/47/723836447.db2.gz CPILVYLNYPLGSL-HNNXBMFYSA-N 1 2 371.264 3.055 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000773896012 723836449 /nfs/dbraw/zinc/83/64/49/723836449.db2.gz CPILVYLNYPLGSL-HNNXBMFYSA-N 1 2 371.264 3.055 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCCO1 ZINC000775340894 723983440 /nfs/dbraw/zinc/98/34/40/723983440.db2.gz JGXMGSFYELCTGO-ZBFHGGJFSA-N 1 2 360.255 3.110 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c(F)c1 ZINC000799996846 724124323 /nfs/dbraw/zinc/12/43/23/724124323.db2.gz KSPARJIGANWTIW-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO Nc1ncc(C=[NH+]Nc2c(Br)cccc2Br)cn1 ZINC000800818868 724231379 /nfs/dbraw/zinc/23/13/79/724231379.db2.gz SSVBNRYYJSDYDG-UHFFFAOYSA-N 1 2 371.036 3.030 20 30 FGEDLO C[C@@H](C#N)OCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000801655087 724322225 /nfs/dbraw/zinc/32/22/25/724322225.db2.gz QXRIRGJGNPXACP-STQMWFEESA-N 1 2 363.462 3.050 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Br)c(F)c2)n1 ZINC000789328968 725122443 /nfs/dbraw/zinc/12/24/43/725122443.db2.gz GRJPUVQRGPSHGH-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Br)c(F)c2)n1 ZINC000789328968 725122445 /nfs/dbraw/zinc/12/24/45/725122445.db2.gz GRJPUVQRGPSHGH-UHFFFAOYSA-N 1 2 350.235 3.440 20 30 FGEDLO N#C[C@H]1CC[C@@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000815010757 727019010 /nfs/dbraw/zinc/01/90/10/727019010.db2.gz YKBLAGFSYXRNCN-JKSUJKDBSA-N 1 2 353.388 3.395 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000820737514 729023321 /nfs/dbraw/zinc/02/33/21/729023321.db2.gz FLAIETMFSHQUKC-LRDDRELGSA-N 1 2 360.820 3.466 20 30 FGEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCc2ccccc21 ZINC000822588239 729197145 /nfs/dbraw/zinc/19/71/45/729197145.db2.gz OXTGPMPGUARNIA-GOSISDBHSA-N 1 2 374.531 3.121 20 30 FGEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCc2ccccc21 ZINC000822588239 729197148 /nfs/dbraw/zinc/19/71/48/729197148.db2.gz OXTGPMPGUARNIA-GOSISDBHSA-N 1 2 374.531 3.121 20 30 FGEDLO Cc1cc(O)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Cl ZINC000825510234 729385993 /nfs/dbraw/zinc/38/59/93/729385993.db2.gz XVHSBHRUJIBCGE-ZFWWWQNUSA-N 1 2 365.861 3.203 20 30 FGEDLO CCN(C)c1ccc(C=[NH+]Nc2cc(CO)ccc2Br)cn1 ZINC000841654102 730262007 /nfs/dbraw/zinc/26/20/07/730262007.db2.gz KMDHPUHWSHRMGB-UHFFFAOYSA-N 1 2 363.259 3.239 20 30 FGEDLO Brc1ccc2c(c1)OCCCC2=NNCCCn1cc[nH+]c1 ZINC000848417635 731162086 /nfs/dbraw/zinc/16/20/86/731162086.db2.gz COLKOEHRFUKSAG-UHFFFAOYSA-N 1 2 363.259 3.202 20 30 FGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000852096684 731543782 /nfs/dbraw/zinc/54/37/82/731543782.db2.gz FMWLLFUXWZWLFA-KRWDZBQOSA-N 1 2 351.353 3.238 20 30 FGEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccccc2Cl)c(N2CCCC2)n1 ZINC000863950629 733019419 /nfs/dbraw/zinc/01/94/19/733019419.db2.gz FNDFCYIRTODECN-UHFFFAOYSA-N 1 2 351.241 3.412 20 30 FGEDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866340647 733337581 /nfs/dbraw/zinc/33/75/81/733337581.db2.gz GZUDQIACUPEKNL-GJZGRUSLSA-N 1 2 358.463 3.085 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000876940661 736165971 /nfs/dbraw/zinc/16/59/71/736165971.db2.gz XZUXEKKOTQEHDN-QGZVFWFLSA-N 1 2 354.841 3.060 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621007 737017542 /nfs/dbraw/zinc/01/75/42/737017542.db2.gz AEEIJHZEVHPOCU-GJZGRUSLSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621007 737017546 /nfs/dbraw/zinc/01/75/46/737017546.db2.gz AEEIJHZEVHPOCU-GJZGRUSLSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621006 737017702 /nfs/dbraw/zinc/01/77/02/737017702.db2.gz AEEIJHZEVHPOCU-CABCVRRESA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879621006 737017707 /nfs/dbraw/zinc/01/77/07/737017707.db2.gz AEEIJHZEVHPOCU-CABCVRRESA-N 1 2 361.511 3.112 20 30 FGEDLO C[NH+](C)[C@H](C(=O)N1CCCc2nc(C#N)ccc21)c1cccc(Cl)c1 ZINC000892399259 739997155 /nfs/dbraw/zinc/99/71/55/739997155.db2.gz AZPIPSKTZKSDJV-SFHVURJKSA-N 1 2 354.841 3.189 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Br)cc1 ZINC000894871895 742345673 /nfs/dbraw/zinc/34/56/73/742345673.db2.gz XUBXBXBYCXORBN-CQSZACIVSA-N 1 2 354.198 3.375 20 30 FGEDLO C[NH+](C)Cc1csc(C/N=C/c2cc(Br)ccc2O)n1 ZINC000905001212 743987361 /nfs/dbraw/zinc/98/73/61/743987361.db2.gz GCLXTLPEFFFIGP-OMCISZLKSA-N 1 2 354.273 3.292 20 30 FGEDLO N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000907038123 744180850 /nfs/dbraw/zinc/18/08/50/744180850.db2.gz DVGIPCBHFBKBQG-GFCCVEGCSA-N 1 2 372.475 3.064 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000915951000 758010210 /nfs/dbraw/zinc/01/02/10/758010210.db2.gz FYPXYJZUUMEHLW-HLLBOEOZSA-N 1 2 359.543 3.327 20 30 FGEDLO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1cccc(C#N)c1O ZINC000927004518 759873869 /nfs/dbraw/zinc/87/38/69/759873869.db2.gz GAYCJCPPIHFOJG-NSHDSACASA-N 1 2 361.243 3.063 20 30 FGEDLO C[C@H](NC(=O)[C@]12C[C@H]1CCC2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970187255 762870123 /nfs/dbraw/zinc/87/01/23/762870123.db2.gz KJSNDYQIUHYCEQ-RRMPHLOHSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000971990210 762939459 /nfs/dbraw/zinc/93/94/59/762939459.db2.gz WDJJKQLIYRIIMB-XUWVNRHRSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000971990210 762939461 /nfs/dbraw/zinc/93/94/61/762939461.db2.gz WDJJKQLIYRIIMB-XUWVNRHRSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C(C)(C)C1 ZINC000977283271 763351912 /nfs/dbraw/zinc/35/19/12/763351912.db2.gz GBXZGAFVICIZDP-RCCFBDPRSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C(C)(C)C1 ZINC000977283271 763351921 /nfs/dbraw/zinc/35/19/21/763351921.db2.gz GBXZGAFVICIZDP-RCCFBDPRSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC000977330601 763354782 /nfs/dbraw/zinc/35/47/82/763354782.db2.gz WJLJNDNRWYPZNG-GUTXKFCHSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC000977330601 763354789 /nfs/dbraw/zinc/35/47/89/763354789.db2.gz WJLJNDNRWYPZNG-GUTXKFCHSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015829032 765811651 /nfs/dbraw/zinc/81/16/51/765811651.db2.gz NVZSREPCNYTGRS-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015829032 765811656 /nfs/dbraw/zinc/81/16/56/765811656.db2.gz NVZSREPCNYTGRS-MPGHIAIKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC001031680214 766182762 /nfs/dbraw/zinc/18/27/62/766182762.db2.gz WKNKDWQTWJMKNK-AEFFLSMTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@H]1C(=C)C)CC2 ZINC001035815056 766267078 /nfs/dbraw/zinc/26/70/78/766267078.db2.gz YJHOAYILVRVGBO-IRXDYDNUSA-N 1 2 352.906 3.035 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001039449324 766296477 /nfs/dbraw/zinc/29/64/77/766296477.db2.gz NVNDCEGBTMVTSX-OWSLCNJRSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001039449324 766296481 /nfs/dbraw/zinc/29/64/81/766296481.db2.gz NVNDCEGBTMVTSX-OWSLCNJRSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001039941436 766299433 /nfs/dbraw/zinc/29/94/33/766299433.db2.gz RSISBBQJFMMKBB-NZNNANHMSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001039941436 766299436 /nfs/dbraw/zinc/29/94/36/766299436.db2.gz RSISBBQJFMMKBB-NZNNANHMSA-N 1 2 352.906 3.176 20 30 FGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001045567092 766553153 /nfs/dbraw/zinc/55/31/53/766553153.db2.gz SYEKOYKHPDUUOJ-ZIAGYGMSSA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031272 766888401 /nfs/dbraw/zinc/88/84/01/766888401.db2.gz IUBKFHZAUWIOKI-OKZBNKHCSA-N 1 2 367.965 3.030 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1 ZINC000023450810 257335061 /nfs/dbraw/zinc/33/50/61/257335061.db2.gz VIFADEZEWXLQPC-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1 ZINC000023450810 257335063 /nfs/dbraw/zinc/33/50/63/257335063.db2.gz VIFADEZEWXLQPC-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO C=CCN(Cc1c[nH+]ccc1OC)S(=O)(=O)c1cccc(Cl)c1 ZINC000573639325 505584348 /nfs/dbraw/zinc/58/43/48/505584348.db2.gz WCYTWUYNIXGAQR-UHFFFAOYSA-N 1 2 352.843 3.121 20 30 FGEDLO C=CCOc1ccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc1OC ZINC000568071066 505608773 /nfs/dbraw/zinc/60/87/73/505608773.db2.gz JPPXXBNZVWPXBW-UHFFFAOYSA-N 1 2 360.410 3.060 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000579998329 505658480 /nfs/dbraw/zinc/65/84/80/505658480.db2.gz WCSOEJIOQCRXTK-UHFFFAOYSA-N 1 2 364.474 3.499 20 30 FGEDLO COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2[nH+]ccn2C)cc1 ZINC000028620446 493794343 /nfs/dbraw/zinc/79/43/43/493794343.db2.gz KPYSUUDXSSCYRP-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1F ZINC000029087827 493815651 /nfs/dbraw/zinc/81/56/51/493815651.db2.gz ZAYIMEWILYZEDH-HXUWFJFHSA-N 1 2 362.408 3.269 20 30 FGEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)o1 ZINC000048350512 493819099 /nfs/dbraw/zinc/81/90/99/493819099.db2.gz LSIARCBMXGNFPW-UHFFFAOYSA-N 1 2 372.384 3.308 20 30 FGEDLO N#CCC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC1CC1 ZINC000081045072 493819406 /nfs/dbraw/zinc/81/94/06/493819406.db2.gz YRHJZCGEVMRNOB-UHFFFAOYSA-N 1 2 354.281 3.278 20 30 FGEDLO N#CCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC1CC1 ZINC000081045072 493819411 /nfs/dbraw/zinc/81/94/11/493819411.db2.gz YRHJZCGEVMRNOB-UHFFFAOYSA-N 1 2 354.281 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154403 493833569 /nfs/dbraw/zinc/83/35/69/493833569.db2.gz GNRUWOGSXZKBJJ-FCHUYYIVSA-N 1 2 359.473 3.343 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154403 493833572 /nfs/dbraw/zinc/83/35/72/493833572.db2.gz GNRUWOGSXZKBJJ-FCHUYYIVSA-N 1 2 359.473 3.343 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CCCCC1 ZINC000029699464 493852221 /nfs/dbraw/zinc/85/22/21/493852221.db2.gz GJGXMSYOGMUDPF-MRXNPFEDSA-N 1 2 361.511 3.072 20 30 FGEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CCCCC1 ZINC000029699464 493852225 /nfs/dbraw/zinc/85/22/25/493852225.db2.gz GJGXMSYOGMUDPF-MRXNPFEDSA-N 1 2 361.511 3.072 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000029777385 493857787 /nfs/dbraw/zinc/85/77/87/493857787.db2.gz OEKPCZPHHNVMSB-KRWDZBQOSA-N 1 2 351.450 3.358 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000029777385 493857792 /nfs/dbraw/zinc/85/77/92/493857792.db2.gz OEKPCZPHHNVMSB-KRWDZBQOSA-N 1 2 351.450 3.358 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1SC ZINC000068803956 493877104 /nfs/dbraw/zinc/87/71/04/493877104.db2.gz GXNRKCLHDAKXEO-UHFFFAOYSA-N 1 2 354.479 3.006 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000058812113 493886926 /nfs/dbraw/zinc/88/69/26/493886926.db2.gz LSYQYZIPIPCUNO-UHFFFAOYSA-N 1 2 355.463 3.427 20 30 FGEDLO N#CCCCOc1cccc(NC(=O)C[N@H+]2CCc3sccc3C2)c1 ZINC000058812113 493886931 /nfs/dbraw/zinc/88/69/31/493886931.db2.gz LSYQYZIPIPCUNO-UHFFFAOYSA-N 1 2 355.463 3.427 20 30 FGEDLO COc1ccc([C@@H](CNc2ccc(C#N)cc2F)[NH+]2CCOCC2)cc1 ZINC000068938119 493897784 /nfs/dbraw/zinc/89/77/84/493897784.db2.gz GFXKMXGLWMHNIW-HXUWFJFHSA-N 1 2 355.413 3.191 20 30 FGEDLO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512405 493906723 /nfs/dbraw/zinc/90/67/23/493906723.db2.gz VUWDGXJFSYVAFW-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512405 493906727 /nfs/dbraw/zinc/90/67/27/493906727.db2.gz VUWDGXJFSYVAFW-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)nc1 ZINC000060480613 493938413 /nfs/dbraw/zinc/93/84/13/493938413.db2.gz HHYMXDOWEPQSBR-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1C ZINC000051997679 493997128 /nfs/dbraw/zinc/99/71/28/493997128.db2.gz AUKNPYINMPFONQ-VQTJNVASSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1C ZINC000051997679 493997130 /nfs/dbraw/zinc/99/71/30/493997130.db2.gz AUKNPYINMPFONQ-VQTJNVASSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000052031485 494000545 /nfs/dbraw/zinc/00/05/45/494000545.db2.gz PUHBNUMSEFHBBK-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000052031485 494000548 /nfs/dbraw/zinc/00/05/48/494000548.db2.gz PUHBNUMSEFHBBK-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO Cc1cccc([C@H](CNc2snc(Cl)c2C#N)[NH+]2CCOCC2)c1 ZINC000052044482 494001163 /nfs/dbraw/zinc/00/11/63/494001163.db2.gz KMCAMTVOXNSDSS-HNNXBMFYSA-N 1 2 362.886 3.462 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288092 494040150 /nfs/dbraw/zinc/04/01/50/494040150.db2.gz BJUYDLPMHBOBSW-UHFFFAOYSA-N 1 2 371.462 3.229 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288092 494040153 /nfs/dbraw/zinc/04/01/53/494040153.db2.gz BJUYDLPMHBOBSW-UHFFFAOYSA-N 1 2 371.462 3.229 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297805 494041320 /nfs/dbraw/zinc/04/13/20/494041320.db2.gz OJLBPLMGXPKLDE-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297805 494041323 /nfs/dbraw/zinc/04/13/23/494041323.db2.gz OJLBPLMGXPKLDE-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000052638206 494049756 /nfs/dbraw/zinc/04/97/56/494049756.db2.gz SVHFFFODXQRCJW-MAUKXSAKSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1cc(SCC[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000009032110 494111504 /nfs/dbraw/zinc/11/15/04/494111504.db2.gz RHNCHXPPMZGOMQ-UHFFFAOYSA-N 1 2 352.463 3.092 20 30 FGEDLO N#Cc1cccc(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000041886148 494185423 /nfs/dbraw/zinc/18/54/23/494185423.db2.gz GBVROYJWQHPELT-WEVVVXLNSA-N 1 2 374.488 3.218 20 30 FGEDLO CC[C@@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072802543 494254257 /nfs/dbraw/zinc/25/42/57/494254257.db2.gz VJKZZBYXAOZKAA-YWZLYKJASA-N 1 2 352.438 3.024 20 30 FGEDLO CC[C@@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072802543 494254260 /nfs/dbraw/zinc/25/42/60/494254260.db2.gz VJKZZBYXAOZKAA-YWZLYKJASA-N 1 2 352.438 3.024 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000078321033 494277726 /nfs/dbraw/zinc/27/77/26/494277726.db2.gz ZKLOJIPECHWCEQ-LJQANCHMSA-N 1 2 360.404 3.277 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000078321033 494277729 /nfs/dbraw/zinc/27/77/29/494277729.db2.gz ZKLOJIPECHWCEQ-LJQANCHMSA-N 1 2 360.404 3.277 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccccc2C(C)C)cs1 ZINC000072920166 494283811 /nfs/dbraw/zinc/28/38/11/494283811.db2.gz XNPSAYRBDQRZFS-GFCCVEGCSA-N 1 2 360.483 3.433 20 30 FGEDLO CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043333095 494288291 /nfs/dbraw/zinc/28/82/91/494288291.db2.gz LRPPVNNHLOKFEO-UHFFFAOYSA-N 1 2 364.449 3.307 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccccc1COc1ccccc1)C[C@@H](C)C#N ZINC000066424914 494331614 /nfs/dbraw/zinc/33/16/14/494331614.db2.gz MTIWLQIHBHAOJF-SFHVURJKSA-N 1 2 365.477 3.363 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccccc1COc1ccccc1)C[C@@H](C)C#N ZINC000066424914 494331611 /nfs/dbraw/zinc/33/16/11/494331611.db2.gz MTIWLQIHBHAOJF-SFHVURJKSA-N 1 2 365.477 3.363 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000078728991 494350258 /nfs/dbraw/zinc/35/02/58/494350258.db2.gz MHUVUURSNUYFTC-UHFFFAOYSA-N 1 2 357.435 3.036 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1C ZINC000078728991 494350263 /nfs/dbraw/zinc/35/02/63/494350263.db2.gz MHUVUURSNUYFTC-UHFFFAOYSA-N 1 2 357.435 3.036 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848300 494422975 /nfs/dbraw/zinc/42/29/75/494422975.db2.gz JZDVZDZTVHGAOK-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848300 494422978 /nfs/dbraw/zinc/42/29/78/494422978.db2.gz JZDVZDZTVHGAOK-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#CCCC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000055917772 494427638 /nfs/dbraw/zinc/42/76/38/494427638.db2.gz YCNHQFRVDAZUHJ-UHFFFAOYSA-N 1 2 370.457 3.023 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526887 494535103 /nfs/dbraw/zinc/53/51/03/494535103.db2.gz JRZNBCCMXQMODZ-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526887 494535107 /nfs/dbraw/zinc/53/51/07/494535107.db2.gz JRZNBCCMXQMODZ-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528828 494535885 /nfs/dbraw/zinc/53/58/85/494535885.db2.gz MHOJSDTXIXTBPN-AWEZNQCLSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528828 494535888 /nfs/dbraw/zinc/53/58/88/494535888.db2.gz MHOJSDTXIXTBPN-AWEZNQCLSA-N 1 2 359.437 3.262 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023258383 494558679 /nfs/dbraw/zinc/55/86/79/494558679.db2.gz WCYVERMXHMFHMR-GOSISDBHSA-N 1 2 362.477 3.012 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046920699 494586913 /nfs/dbraw/zinc/58/69/13/494586913.db2.gz WBYYBCZUFXPRKB-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000115802824 494625237 /nfs/dbraw/zinc/62/52/37/494625237.db2.gz UJEVQAYPIJPACT-MRXNPFEDSA-N 1 2 350.422 3.207 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000047052729 494628119 /nfs/dbraw/zinc/62/81/19/494628119.db2.gz NIEFEFCSZLFTRB-HNNXBMFYSA-N 1 2 354.479 3.208 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C ZINC000074918592 494647642 /nfs/dbraw/zinc/64/76/42/494647642.db2.gz TVJQXDSOSTZIOC-HNNXBMFYSA-N 1 2 352.438 3.481 20 30 FGEDLO CC(C)Oc1cc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131630907 494681696 /nfs/dbraw/zinc/68/16/96/494681696.db2.gz VFILFOGXCZNWRG-UHFFFAOYSA-N 1 2 364.449 3.344 20 30 FGEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131630907 494681704 /nfs/dbraw/zinc/68/17/04/494681704.db2.gz VFILFOGXCZNWRG-UHFFFAOYSA-N 1 2 364.449 3.344 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1OC ZINC000092597066 494682013 /nfs/dbraw/zinc/68/20/13/494682013.db2.gz GCDSYOYVBDMHMF-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000057274031 494701229 /nfs/dbraw/zinc/70/12/29/494701229.db2.gz UYHYZNXXOPJVGE-UHFFFAOYSA-N 1 2 365.477 3.251 20 30 FGEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N)CCC2 ZINC000121410503 494743386 /nfs/dbraw/zinc/74/33/86/494743386.db2.gz ZSIMOMUCNAZBSL-HNNXBMFYSA-N 1 2 358.467 3.481 20 30 FGEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N)CCC2 ZINC000121410503 494743390 /nfs/dbraw/zinc/74/33/90/494743390.db2.gz ZSIMOMUCNAZBSL-HNNXBMFYSA-N 1 2 358.467 3.481 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000121742393 494850090 /nfs/dbraw/zinc/85/00/90/494850090.db2.gz LDEVKQNLUCRVPX-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000121742393 494850091 /nfs/dbraw/zinc/85/00/91/494850091.db2.gz LDEVKQNLUCRVPX-ZDUSSCGKSA-N 1 2 373.482 3.216 20 30 FGEDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000126914451 494861499 /nfs/dbraw/zinc/86/14/99/494861499.db2.gz DYHXVEBZLZRBSM-UHFFFAOYSA-N 1 2 354.454 3.237 20 30 FGEDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000126914451 494861504 /nfs/dbraw/zinc/86/15/04/494861504.db2.gz DYHXVEBZLZRBSM-UHFFFAOYSA-N 1 2 354.454 3.237 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000126993747 494875101 /nfs/dbraw/zinc/87/51/01/494875101.db2.gz YQYPHLLEVRUZFT-RTBURBONSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000126993747 494875102 /nfs/dbraw/zinc/87/51/02/494875102.db2.gz YQYPHLLEVRUZFT-RTBURBONSA-N 1 2 369.852 3.013 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000127214012 494911424 /nfs/dbraw/zinc/91/14/24/494911424.db2.gz NKVYFCMFGJZNLA-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CC[N@H+](CCCNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110183452 494955925 /nfs/dbraw/zinc/95/59/25/494955925.db2.gz PNOIKUJLWKHBPJ-UHFFFAOYSA-N 1 2 351.450 3.164 20 30 FGEDLO CC[N@@H+](CCCNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000110183452 494955926 /nfs/dbraw/zinc/95/59/26/494955926.db2.gz PNOIKUJLWKHBPJ-UHFFFAOYSA-N 1 2 351.450 3.164 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133113802 494971118 /nfs/dbraw/zinc/97/11/18/494971118.db2.gz NHFODVCZXXPTNY-HOTGVXAUSA-N 1 2 363.889 3.191 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133113802 494971121 /nfs/dbraw/zinc/97/11/21/494971121.db2.gz NHFODVCZXXPTNY-HOTGVXAUSA-N 1 2 363.889 3.191 20 30 FGEDLO CC[N@H+](CCC#N)Cc1cc(I)c(OC)c(OC)c1 ZINC000127664814 494978610 /nfs/dbraw/zinc/97/86/10/494978610.db2.gz OEKAETDXUINLPH-UHFFFAOYSA-N 1 2 374.222 3.044 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1cc(I)c(OC)c(OC)c1 ZINC000127664814 494978615 /nfs/dbraw/zinc/97/86/15/494978615.db2.gz OEKAETDXUINLPH-UHFFFAOYSA-N 1 2 374.222 3.044 20 30 FGEDLO C=CCCOCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000122688080 495015798 /nfs/dbraw/zinc/01/57/98/495015798.db2.gz OGJFWLQFFMKISP-IRXDYDNUSA-N 1 2 361.486 3.010 20 30 FGEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)S1 ZINC000128004397 495029896 /nfs/dbraw/zinc/02/98/96/495029896.db2.gz XZGZQSFRSGPTTJ-LLVKDONJSA-N 1 2 354.401 3.190 20 30 FGEDLO Cn1c(C[NH+]2CCN(c3ccccc3C#N)CC2)nc2cc(Cl)ccc21 ZINC000101554241 495076504 /nfs/dbraw/zinc/07/65/04/495076504.db2.gz KBGKRZDEAMKQQT-UHFFFAOYSA-N 1 2 365.868 3.421 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000123109603 495082462 /nfs/dbraw/zinc/08/24/62/495082462.db2.gz OYXDJPMHKAIDGC-UHFFFAOYSA-N 1 2 369.534 3.480 20 30 FGEDLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128463772 495100974 /nfs/dbraw/zinc/10/09/74/495100974.db2.gz CTEYWXDEUJOFKV-KRWDZBQOSA-N 1 2 360.504 3.403 20 30 FGEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128463772 495100975 /nfs/dbraw/zinc/10/09/75/495100975.db2.gz CTEYWXDEUJOFKV-KRWDZBQOSA-N 1 2 360.504 3.403 20 30 FGEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)CC1 ZINC000111809010 495114489 /nfs/dbraw/zinc/11/44/89/495114489.db2.gz FBTUBUIIQPCJNS-SFHVURJKSA-N 1 2 354.454 3.126 20 30 FGEDLO N#Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000574390492 505762558 /nfs/dbraw/zinc/76/25/58/505762558.db2.gz DDNMZJSFYVRVCI-UHFFFAOYSA-N 1 2 367.331 3.255 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000103141363 495198394 /nfs/dbraw/zinc/19/83/94/495198394.db2.gz CQPXZLRYHNWELG-UHFFFAOYSA-N 1 2 358.461 3.294 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cc(C)oc3C)CC2)c1 ZINC000124016430 495221296 /nfs/dbraw/zinc/22/12/96/495221296.db2.gz NZBUJIQLCQTPAF-UHFFFAOYSA-N 1 2 354.450 3.419 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C#N)cc3)CCCC2)no1 ZINC000124057308 495227543 /nfs/dbraw/zinc/22/75/43/495227543.db2.gz KRWGJTYWEFLFES-UHFFFAOYSA-N 1 2 353.470 3.342 20 30 FGEDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000134958631 495231232 /nfs/dbraw/zinc/23/12/32/495231232.db2.gz GBJPZVGTAVWDIT-UHFFFAOYSA-N 1 2 365.477 3.283 20 30 FGEDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000134958631 495231235 /nfs/dbraw/zinc/23/12/35/495231235.db2.gz GBJPZVGTAVWDIT-UHFFFAOYSA-N 1 2 365.477 3.283 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120151035 495316685 /nfs/dbraw/zinc/31/66/85/495316685.db2.gz XQPABQRPRJUVHX-OAHLLOKOSA-N 1 2 358.873 3.446 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120151035 495316689 /nfs/dbraw/zinc/31/66/89/495316689.db2.gz XQPABQRPRJUVHX-OAHLLOKOSA-N 1 2 358.873 3.446 20 30 FGEDLO COC(=O)c1sccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000120311052 495349781 /nfs/dbraw/zinc/34/97/81/495349781.db2.gz FRVXGXCLUWEASB-UHFFFAOYSA-N 1 2 356.447 3.450 20 30 FGEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868956 495356387 /nfs/dbraw/zinc/35/63/87/495356387.db2.gz UHKONRPCKJYPMN-IRLDBZIGSA-N 1 2 364.489 3.364 20 30 FGEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868956 495356392 /nfs/dbraw/zinc/35/63/92/495356392.db2.gz UHKONRPCKJYPMN-IRLDBZIGSA-N 1 2 364.489 3.364 20 30 FGEDLO Cc1cc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000105424444 495364512 /nfs/dbraw/zinc/36/45/12/495364512.db2.gz FMZDCSFVILVPHD-UHFFFAOYSA-N 1 2 374.492 3.355 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120751222 495450446 /nfs/dbraw/zinc/45/04/46/495450446.db2.gz CRSZABGIIOJLLD-MRXNPFEDSA-N 1 2 368.437 3.203 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000130911264 495465993 /nfs/dbraw/zinc/46/59/93/495465993.db2.gz KPUMXWUFXWTJQL-RHSMWYFYSA-N 1 2 356.401 3.149 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000131129199 495496829 /nfs/dbraw/zinc/49/68/29/495496829.db2.gz AARJHACXWBJTDO-INIZCTEOSA-N 1 2 357.410 3.283 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000131129199 495496833 /nfs/dbraw/zinc/49/68/33/495496833.db2.gz AARJHACXWBJTDO-INIZCTEOSA-N 1 2 357.410 3.283 20 30 FGEDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000170629298 495538122 /nfs/dbraw/zinc/53/81/22/495538122.db2.gz MEXNGJPDRTWGCL-UHFFFAOYSA-N 1 2 363.461 3.066 20 30 FGEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2-c2ccccc2C#N)CCO1 ZINC000170629298 495538128 /nfs/dbraw/zinc/53/81/28/495538128.db2.gz MEXNGJPDRTWGCL-UHFFFAOYSA-N 1 2 363.461 3.066 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1Cl ZINC000154245226 495555592 /nfs/dbraw/zinc/55/55/92/495555592.db2.gz LURGJXIDRKCVGW-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000170758581 495592265 /nfs/dbraw/zinc/59/22/65/495592265.db2.gz ZWNSBVWREPNCGW-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000170758581 495592268 /nfs/dbraw/zinc/59/22/68/495592268.db2.gz ZWNSBVWREPNCGW-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#CCCN(Cc1c[nH+]c2ccc(Br)cn12)Cc1cccnc1 ZINC000159022597 495638997 /nfs/dbraw/zinc/63/89/97/495638997.db2.gz JOJSLXYDHYJWIW-UHFFFAOYSA-N 1 2 370.254 3.408 20 30 FGEDLO N#CCCC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000568860489 505795205 /nfs/dbraw/zinc/79/52/05/505795205.db2.gz VFHKXTQLJFICFC-UHFFFAOYSA-N 1 2 365.481 3.199 20 30 FGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000182670942 495657247 /nfs/dbraw/zinc/65/72/47/495657247.db2.gz SRADEKBRGLXWFS-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000182670942 495657249 /nfs/dbraw/zinc/65/72/49/495657249.db2.gz SRADEKBRGLXWFS-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170955261 495667418 /nfs/dbraw/zinc/66/74/18/495667418.db2.gz UPBSMYGHMBDXDU-MRXNPFEDSA-N 1 2 371.444 3.302 20 30 FGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170955261 495667423 /nfs/dbraw/zinc/66/74/23/495667423.db2.gz UPBSMYGHMBDXDU-MRXNPFEDSA-N 1 2 371.444 3.302 20 30 FGEDLO Cc1csc(N2CC[NH+](Cc3ncc(-c4ccc(C#N)cc4)o3)CC2)n1 ZINC000159166420 495673502 /nfs/dbraw/zinc/67/35/02/495673502.db2.gz KYOHNHVDODZZPM-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C#CCCOc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1 ZINC000150929672 495684988 /nfs/dbraw/zinc/68/49/88/495684988.db2.gz GMTUHZRTVHNVMG-UHFFFAOYSA-N 1 2 365.477 3.305 20 30 FGEDLO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C2CC2)no1 ZINC000179818945 495747625 /nfs/dbraw/zinc/74/76/25/495747625.db2.gz LGIJCMWYEIWTJP-SFHVURJKSA-N 1 2 367.453 3.181 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc1 ZINC000568904899 505804965 /nfs/dbraw/zinc/80/49/65/505804965.db2.gz WPSBHYQRUVMSFF-UHFFFAOYSA-N 1 2 363.421 3.086 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)nc1 ZINC000179986329 495811341 /nfs/dbraw/zinc/81/13/41/495811341.db2.gz WOMUTGKEPVUBQY-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568911588 505806322 /nfs/dbraw/zinc/80/63/22/505806322.db2.gz OZAUDTDISHRDPN-FQEVSTJZSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000568911588 505806324 /nfs/dbraw/zinc/80/63/24/505806324.db2.gz OZAUDTDISHRDPN-FQEVSTJZSA-N 1 2 372.490 3.424 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000176959827 495858048 /nfs/dbraw/zinc/85/80/48/495858048.db2.gz YBGGPCGYZLGWPQ-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000176959827 495858054 /nfs/dbraw/zinc/85/80/54/495858054.db2.gz YBGGPCGYZLGWPQ-OKILXGFUSA-N 1 2 355.463 3.481 20 30 FGEDLO C=CCC(CC=C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000177027301 495889952 /nfs/dbraw/zinc/88/99/52/495889952.db2.gz PPQNOWOYWAIHQS-UHFFFAOYSA-N 1 2 372.900 3.400 20 30 FGEDLO CCc1ccc(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000174314817 495906835 /nfs/dbraw/zinc/90/68/35/495906835.db2.gz MFHKAYOOBXCZFE-UHFFFAOYSA-N 1 2 373.460 3.493 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C#N)cc3F)cn2c1 ZINC000171541738 495920877 /nfs/dbraw/zinc/92/08/77/495920877.db2.gz JEXQAVMPERAFDO-UHFFFAOYSA-N 1 2 368.437 3.203 20 30 FGEDLO COCCOc1cc2c(cc1C[N@H+](C)Cc1cc(C#N)ccc1F)OCO2 ZINC000155399309 495945711 /nfs/dbraw/zinc/94/57/11/495945711.db2.gz UJNDMCPHMIXSDZ-UHFFFAOYSA-N 1 2 372.396 3.083 20 30 FGEDLO COCCOc1cc2c(cc1C[N@@H+](C)Cc1cc(C#N)ccc1F)OCO2 ZINC000155399309 495945713 /nfs/dbraw/zinc/94/57/13/495945713.db2.gz UJNDMCPHMIXSDZ-UHFFFAOYSA-N 1 2 372.396 3.083 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186326858 495950014 /nfs/dbraw/zinc/95/00/14/495950014.db2.gz PGJJWAJIBLWNQC-NSHDSACASA-N 1 2 367.400 3.312 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160610134 496002784 /nfs/dbraw/zinc/00/27/84/496002784.db2.gz ILNMHXDYFFQNIQ-MJGOQNOKSA-N 1 2 365.481 3.429 20 30 FGEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000161276439 496141634 /nfs/dbraw/zinc/14/16/34/496141634.db2.gz JHXIDORLKQTVQJ-QGZVFWFLSA-N 1 2 360.454 3.295 20 30 FGEDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000161276439 496141640 /nfs/dbraw/zinc/14/16/40/496141640.db2.gz JHXIDORLKQTVQJ-QGZVFWFLSA-N 1 2 360.454 3.295 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000152411715 496144063 /nfs/dbraw/zinc/14/40/63/496144063.db2.gz ZWVCIXNRAUPTBU-HZMBPMFUSA-N 1 2 358.294 3.112 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000183937348 496167989 /nfs/dbraw/zinc/16/79/89/496167989.db2.gz KIMPMOCQLBJPIR-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO C[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000177725749 496173903 /nfs/dbraw/zinc/17/39/03/496173903.db2.gz FZUXIINVQMTOAR-GOEBONIOSA-N 1 2 354.458 3.426 20 30 FGEDLO Cc1noc([C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 ZINC000161947438 496269437 /nfs/dbraw/zinc/26/94/37/496269437.db2.gz YSUVOMOQOGEYIX-LLVKDONJSA-N 1 2 365.359 3.152 20 30 FGEDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000181143341 496285644 /nfs/dbraw/zinc/28/56/44/496285644.db2.gz HTNMVHNEOBBONR-UHFFFAOYSA-N 1 2 368.872 3.483 20 30 FGEDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000181143341 496285648 /nfs/dbraw/zinc/28/56/48/496285648.db2.gz HTNMVHNEOBBONR-UHFFFAOYSA-N 1 2 368.872 3.483 20 30 FGEDLO COc1cc(N[C@H]2CCCN(c3cc(C)[nH+]cc3C#N)C2)cc(OC)c1 ZINC000571875821 505835310 /nfs/dbraw/zinc/83/53/10/505835310.db2.gz BEIGCDPJLFURMD-INIZCTEOSA-N 1 2 352.438 3.360 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000181162545 496293896 /nfs/dbraw/zinc/29/38/96/496293896.db2.gz XEABJIMYULMPMW-GOSISDBHSA-N 1 2 359.267 3.430 20 30 FGEDLO N#CCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181400319 496379811 /nfs/dbraw/zinc/37/98/11/496379811.db2.gz JXYOTEWSNUPETA-CVEARBPZSA-N 1 2 371.378 3.356 20 30 FGEDLO N#CCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181400319 496379816 /nfs/dbraw/zinc/37/98/16/496379816.db2.gz JXYOTEWSNUPETA-CVEARBPZSA-N 1 2 371.378 3.356 20 30 FGEDLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000187427322 496436076 /nfs/dbraw/zinc/43/60/76/496436076.db2.gz CTAJWDLVUFRQIS-QGZVFWFLSA-N 1 2 363.870 3.100 20 30 FGEDLO Cc1nc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000172800549 496436703 /nfs/dbraw/zinc/43/67/03/496436703.db2.gz FHQALTMCMIBWSC-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184595541 496456715 /nfs/dbraw/zinc/45/67/15/496456715.db2.gz MMAHZNAJWGLCRC-FQEVSTJZSA-N 1 2 350.397 3.319 20 30 FGEDLO C=CCC[C@@H](C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000187606144 496507967 /nfs/dbraw/zinc/50/79/67/496507967.db2.gz RZHJPXPZCVXVID-LJQANCHMSA-N 1 2 350.466 3.184 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000184807931 496539048 /nfs/dbraw/zinc/53/90/48/496539048.db2.gz DSVJDTHEQFDCJA-MLGOLLRUSA-N 1 2 359.426 3.228 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1csc(CC(=O)NC)n1)c1ccc(F)c(F)c1 ZINC000187755394 496558577 /nfs/dbraw/zinc/55/85/77/496558577.db2.gz IYZPPFKULKVONM-QGZVFWFLSA-N 1 2 351.422 3.117 20 30 FGEDLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000580850036 505853278 /nfs/dbraw/zinc/85/32/78/505853278.db2.gz HJNQEMLPLXISLH-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000580850036 505853280 /nfs/dbraw/zinc/85/32/80/505853280.db2.gz HJNQEMLPLXISLH-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157982818 496601331 /nfs/dbraw/zinc/60/13/31/496601331.db2.gz QEPDDSPJEJCWCK-MRXNPFEDSA-N 1 2 359.445 3.106 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(CCCC2)C1 ZINC000157982818 496601333 /nfs/dbraw/zinc/60/13/33/496601333.db2.gz QEPDDSPJEJCWCK-MRXNPFEDSA-N 1 2 359.445 3.106 20 30 FGEDLO N#Cc1c(NC(=O)C[NH2+][C@@H](CCO)c2ccco2)sc2c1CCCCC2 ZINC000185124506 496670367 /nfs/dbraw/zinc/67/03/67/496670367.db2.gz FZUBVDUBBDDXFU-HNNXBMFYSA-N 1 2 373.478 3.133 20 30 FGEDLO CC[C@@H](C#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000179237587 496719224 /nfs/dbraw/zinc/71/92/24/496719224.db2.gz WDJRYPNEPFHWGL-LSDHHAIUSA-N 1 2 350.260 3.004 20 30 FGEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000277373380 496752206 /nfs/dbraw/zinc/75/22/06/496752206.db2.gz FUAUVWNYGCMTRS-HNNXBMFYSA-N 1 2 362.271 3.180 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277397363 496759980 /nfs/dbraw/zinc/75/99/80/496759980.db2.gz GVOHELRDCKDESD-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000277397363 496759985 /nfs/dbraw/zinc/75/99/85/496759985.db2.gz GVOHELRDCKDESD-QUGAMOGWSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277434277 496772329 /nfs/dbraw/zinc/77/23/29/496772329.db2.gz IOXFRMRXAWNEID-INIZCTEOSA-N 1 2 365.433 3.062 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247173697 496798041 /nfs/dbraw/zinc/79/80/41/496798041.db2.gz XXMFFAITKXCRCV-HZPDHXFCSA-N 1 2 352.841 3.217 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247173697 496798046 /nfs/dbraw/zinc/79/80/46/496798046.db2.gz XXMFFAITKXCRCV-HZPDHXFCSA-N 1 2 352.841 3.217 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)CSc2ccc(C#N)cc2)c[nH+]1 ZINC000264092192 496810002 /nfs/dbraw/zinc/81/00/02/496810002.db2.gz GZGMXPWNAFINMH-UHFFFAOYSA-N 1 2 354.479 3.208 20 30 FGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264098151 496812337 /nfs/dbraw/zinc/81/23/37/496812337.db2.gz HCFWUEPENVWGQZ-OAHLLOKOSA-N 1 2 358.463 3.185 20 30 FGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264098151 496812340 /nfs/dbraw/zinc/81/23/40/496812340.db2.gz HCFWUEPENVWGQZ-OAHLLOKOSA-N 1 2 358.463 3.185 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264132327 496818914 /nfs/dbraw/zinc/81/89/14/496818914.db2.gz OPEVZLKUFAKFJG-INIZCTEOSA-N 1 2 374.444 3.300 20 30 FGEDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)no1 ZINC000264263206 496856085 /nfs/dbraw/zinc/85/60/85/496856085.db2.gz CIOHHNMXHISFBD-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277744684 496872969 /nfs/dbraw/zinc/87/29/69/496872969.db2.gz LAKHUTHQBMXNME-FQEVSTJZSA-N 1 2 368.437 3.306 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277744684 496872973 /nfs/dbraw/zinc/87/29/73/496872973.db2.gz LAKHUTHQBMXNME-FQEVSTJZSA-N 1 2 368.437 3.306 20 30 FGEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000191742032 496874337 /nfs/dbraw/zinc/87/43/37/496874337.db2.gz AESQQAFWLKXJCA-LJQANCHMSA-N 1 2 356.495 3.393 20 30 FGEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000191742032 496874341 /nfs/dbraw/zinc/87/43/41/496874341.db2.gz AESQQAFWLKXJCA-LJQANCHMSA-N 1 2 356.495 3.393 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000264449844 496903420 /nfs/dbraw/zinc/90/34/20/496903420.db2.gz HYKGVAKJNLCLMT-UHFFFAOYSA-N 1 2 352.438 3.208 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191831831 496904044 /nfs/dbraw/zinc/90/40/44/496904044.db2.gz YUQRVYKNDGCBBA-GJZGRUSLSA-N 1 2 362.495 3.034 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191831831 496904047 /nfs/dbraw/zinc/90/40/47/496904047.db2.gz YUQRVYKNDGCBBA-GJZGRUSLSA-N 1 2 362.495 3.034 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278068535 496993134 /nfs/dbraw/zinc/99/31/34/496993134.db2.gz OBPSSARWSIVMBT-OAHLLOKOSA-N 1 2 374.510 3.067 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000270045462 497046996 /nfs/dbraw/zinc/04/69/96/497046996.db2.gz DFGJSOWDCUABJH-QGZVFWFLSA-N 1 2 359.433 3.225 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248834456 497113923 /nfs/dbraw/zinc/11/39/23/497113923.db2.gz MVTCUPMIYAZASC-QKPAOTATSA-N 1 2 361.511 3.253 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248834456 497113927 /nfs/dbraw/zinc/11/39/27/497113927.db2.gz MVTCUPMIYAZASC-QKPAOTATSA-N 1 2 361.511 3.253 20 30 FGEDLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)cc1C#N ZINC000266123204 497261613 /nfs/dbraw/zinc/26/16/13/497261613.db2.gz ANBBFWGXIJFUTF-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(OC)cc1 ZINC000193067083 497292414 /nfs/dbraw/zinc/29/24/14/497292414.db2.gz UPHGMQDCWSKQSH-UHFFFAOYSA-N 1 2 353.451 3.409 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245610533 497472542 /nfs/dbraw/zinc/47/25/42/497472542.db2.gz SPPVGHQLVKYKCS-NVXWUHKLSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245610533 497472546 /nfs/dbraw/zinc/47/25/46/497472546.db2.gz SPPVGHQLVKYKCS-NVXWUHKLSA-N 1 2 360.820 3.244 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)Cc1ccco1 ZINC000279794566 497544526 /nfs/dbraw/zinc/54/45/26/497544526.db2.gz MQQOQJDBPYGVPK-UHFFFAOYSA-N 1 2 358.348 3.158 20 30 FGEDLO N#CCOc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000194166058 497591586 /nfs/dbraw/zinc/59/15/86/497591586.db2.gz LXFRRFQZOVCPAN-UHFFFAOYSA-N 1 2 364.449 3.294 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000575098798 505920837 /nfs/dbraw/zinc/92/08/37/505920837.db2.gz ZEGLSLPMIWMTMI-GOSISDBHSA-N 1 2 356.429 3.489 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000575098798 505920839 /nfs/dbraw/zinc/92/08/39/505920839.db2.gz ZEGLSLPMIWMTMI-GOSISDBHSA-N 1 2 356.429 3.489 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)sc1C ZINC000280382958 497737010 /nfs/dbraw/zinc/73/70/10/497737010.db2.gz JXYMKYJDYHIBCD-HNNXBMFYSA-N 1 2 371.462 3.326 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)sc1C ZINC000280382958 497737015 /nfs/dbraw/zinc/73/70/15/497737015.db2.gz JXYMKYJDYHIBCD-HNNXBMFYSA-N 1 2 371.462 3.326 20 30 FGEDLO CC[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC(=O)N1 ZINC000329622000 497848365 /nfs/dbraw/zinc/84/83/65/497848365.db2.gz UNXMZHNKZSELCB-IAGOWNOFSA-N 1 2 358.486 3.167 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000329691742 497870331 /nfs/dbraw/zinc/87/03/31/497870331.db2.gz WIZDZRRVOPRHRY-LJQANCHMSA-N 1 2 360.454 3.153 20 30 FGEDLO O=C(C[N@H+]1CCO[C@@H](C2CCCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000329691742 497870338 /nfs/dbraw/zinc/87/03/38/497870338.db2.gz WIZDZRRVOPRHRY-LJQANCHMSA-N 1 2 360.454 3.153 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000575192641 505939777 /nfs/dbraw/zinc/93/97/77/505939777.db2.gz IYRMJZZARWIGER-OCCSQVGLSA-N 1 2 358.467 3.428 20 30 FGEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329700074 497873691 /nfs/dbraw/zinc/87/36/91/497873691.db2.gz ZMWWLWGITQPOHB-IBGZPJMESA-N 1 2 372.513 3.377 20 30 FGEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329794921 497902609 /nfs/dbraw/zinc/90/26/09/497902609.db2.gz GIOPBPKPXILMGP-SNRMKQJTSA-N 1 2 366.465 3.135 20 30 FGEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]c1ccc(OC2CCCC2)nc1 ZINC000329804033 497906911 /nfs/dbraw/zinc/90/69/11/497906911.db2.gz LTICEGYGGIALAV-AWEZNQCLSA-N 1 2 355.442 3.188 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280810674 497907023 /nfs/dbraw/zinc/90/70/23/497907023.db2.gz LZVWLCGKWILTBM-QRWLVFNGSA-N 1 2 372.490 3.139 20 30 FGEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000329820606 497913371 /nfs/dbraw/zinc/91/33/71/497913371.db2.gz YHWBLNUDTKGTQD-LRYGQEGESA-N 1 2 369.509 3.222 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC000329841596 497921878 /nfs/dbraw/zinc/92/18/78/497921878.db2.gz WTWKRVVEHKGUPX-OAHLLOKOSA-N 1 2 350.507 3.335 20 30 FGEDLO CCc1cc(C)cc(CC)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000280852503 497922756 /nfs/dbraw/zinc/92/27/56/497922756.db2.gz XJAUDFSGVLWVOI-UHFFFAOYSA-N 1 2 372.513 3.200 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000329855706 497928552 /nfs/dbraw/zinc/92/85/52/497928552.db2.gz UGUVQRXCPXGDSI-DOTOQJQBSA-N 1 2 361.442 3.073 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000329855706 497928556 /nfs/dbraw/zinc/92/85/56/497928556.db2.gz UGUVQRXCPXGDSI-DOTOQJQBSA-N 1 2 361.442 3.073 20 30 FGEDLO Cc1noc(C)c1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329897464 497944079 /nfs/dbraw/zinc/94/40/79/497944079.db2.gz CWZSBKQJOFQHCJ-KBPBESRZSA-N 1 2 366.462 3.443 20 30 FGEDLO Cc1noc(C)c1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329897464 497944083 /nfs/dbraw/zinc/94/40/83/497944083.db2.gz CWZSBKQJOFQHCJ-KBPBESRZSA-N 1 2 366.462 3.443 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329918302 497952139 /nfs/dbraw/zinc/95/21/39/497952139.db2.gz RCLXXOAFYPHIHV-AEFFLSMTSA-N 1 2 355.486 3.382 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)on1 ZINC000329924621 497954605 /nfs/dbraw/zinc/95/46/05/497954605.db2.gz VAVLIGRMAITYKQ-GRZALLJUSA-N 1 2 366.481 3.320 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)on1 ZINC000329924621 497954612 /nfs/dbraw/zinc/95/46/12/497954612.db2.gz VAVLIGRMAITYKQ-GRZALLJUSA-N 1 2 366.481 3.320 20 30 FGEDLO O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329953080 497966335 /nfs/dbraw/zinc/96/63/35/497966335.db2.gz NBUMBZBQWFBYIU-LSDHHAIUSA-N 1 2 356.426 3.003 20 30 FGEDLO CC[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1[nH]cc[nH+]1 ZINC000329950668 497966437 /nfs/dbraw/zinc/96/64/37/497966437.db2.gz LZMXFXSETKHVPQ-HNNXBMFYSA-N 1 2 365.437 3.302 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccccc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000329954365 497967366 /nfs/dbraw/zinc/96/73/66/497967366.db2.gz JYYHKZZIYVYMLV-KRWDZBQOSA-N 1 2 373.476 3.119 20 30 FGEDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)NC[C@H]1Cc2ccccc2O1 ZINC000329959119 497969721 /nfs/dbraw/zinc/96/97/21/497969721.db2.gz NALJPUHCLODHJE-XMSQKQJNSA-N 1 2 364.445 3.078 20 30 FGEDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)NC[C@H]1Cc2ccccc2O1 ZINC000329959119 497969729 /nfs/dbraw/zinc/96/97/29/497969729.db2.gz NALJPUHCLODHJE-XMSQKQJNSA-N 1 2 364.445 3.078 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc2ccccn12 ZINC000301145814 497971708 /nfs/dbraw/zinc/97/17/08/497971708.db2.gz GIYBTCQUWVNTQE-UHFFFAOYSA-N 1 2 357.870 3.243 20 30 FGEDLO C[N@H+](CC#Cc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364474266 497974852 /nfs/dbraw/zinc/97/48/52/497974852.db2.gz YCOKZCMXAWVZSZ-UHFFFAOYSA-N 1 2 353.554 3.166 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000285073722 497986218 /nfs/dbraw/zinc/98/62/18/497986218.db2.gz LKXYSAXIXPRJER-MRXNPFEDSA-N 1 2 358.417 3.188 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000285073722 497986209 /nfs/dbraw/zinc/98/62/09/497986209.db2.gz LKXYSAXIXPRJER-MRXNPFEDSA-N 1 2 358.417 3.188 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281074595 498010199 /nfs/dbraw/zinc/01/01/99/498010199.db2.gz OMXIZIMXOQNHMO-APWZRJJASA-N 1 2 370.453 3.065 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330128948 498031490 /nfs/dbraw/zinc/03/14/90/498031490.db2.gz NYONBKSWDYYHHN-CLCXKQKWSA-N 1 2 350.434 3.113 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330128948 498031493 /nfs/dbraw/zinc/03/14/93/498031493.db2.gz NYONBKSWDYYHHN-CLCXKQKWSA-N 1 2 350.434 3.113 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000285250627 498034384 /nfs/dbraw/zinc/03/43/84/498034384.db2.gz ZRTOMSPQBKCONI-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000296424863 498038074 /nfs/dbraw/zinc/03/80/74/498038074.db2.gz KDTACICSSZIAJY-OALUTQOASA-N 1 2 365.481 3.397 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330161942 498045156 /nfs/dbraw/zinc/04/51/56/498045156.db2.gz UGFAMUNKWDGQID-ZDRATNSLSA-N 1 2 362.514 3.180 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330161942 498045162 /nfs/dbraw/zinc/04/51/62/498045162.db2.gz UGFAMUNKWDGQID-ZDRATNSLSA-N 1 2 362.514 3.180 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330236729 498072698 /nfs/dbraw/zinc/07/26/98/498072698.db2.gz AIWAGKRHYHQFTC-HOTGVXAUSA-N 1 2 356.474 3.069 20 30 FGEDLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000330249397 498079320 /nfs/dbraw/zinc/07/93/20/498079320.db2.gz GPKLHQFMMVHLHP-PBHICJAKSA-N 1 2 364.453 3.134 20 30 FGEDLO Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000330249397 498079327 /nfs/dbraw/zinc/07/93/27/498079327.db2.gz GPKLHQFMMVHLHP-PBHICJAKSA-N 1 2 364.453 3.134 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253896 498081052 /nfs/dbraw/zinc/08/10/52/498081052.db2.gz OXPGHAOFEKFBML-XJKSGUPXSA-N 1 2 353.447 3.008 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253896 498081057 /nfs/dbraw/zinc/08/10/57/498081057.db2.gz OXPGHAOFEKFBML-XJKSGUPXSA-N 1 2 353.447 3.008 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1nccn1-c1ccccc1)C2 ZINC000330255714 498082599 /nfs/dbraw/zinc/08/25/99/498082599.db2.gz PTJCAAASSHFSGJ-UHFFFAOYSA-N 1 2 364.453 3.333 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000330267193 498086429 /nfs/dbraw/zinc/08/64/29/498086429.db2.gz IADBKBMHMDIXDR-HSALFYBXSA-N 1 2 358.482 3.222 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000330267193 498086434 /nfs/dbraw/zinc/08/64/34/498086434.db2.gz IADBKBMHMDIXDR-HSALFYBXSA-N 1 2 358.482 3.222 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000364682566 498087829 /nfs/dbraw/zinc/08/78/29/498087829.db2.gz BHDUOTQCXAQMFY-ZDUSSCGKSA-N 1 2 355.467 3.491 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330279489 498091457 /nfs/dbraw/zinc/09/14/57/498091457.db2.gz RCTUCRCFZXCRGF-YXYZJKKLSA-N 1 2 361.486 3.079 20 30 FGEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330279489 498091464 /nfs/dbraw/zinc/09/14/64/498091464.db2.gz RCTUCRCFZXCRGF-YXYZJKKLSA-N 1 2 361.486 3.079 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000292686393 498109212 /nfs/dbraw/zinc/10/92/12/498109212.db2.gz PVWBFXWROOVEEW-UHFFFAOYSA-N 1 2 369.494 3.319 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1F ZINC000330551657 498150680 /nfs/dbraw/zinc/15/06/80/498150680.db2.gz XQHFXHKDJQNCDL-UHFFFAOYSA-N 1 2 361.820 3.363 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289448925 498151373 /nfs/dbraw/zinc/15/13/73/498151373.db2.gz FJMHUWWWAXOSCR-FUHWJXTLSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000289448925 498151378 /nfs/dbraw/zinc/15/13/78/498151378.db2.gz FJMHUWWWAXOSCR-FUHWJXTLSA-N 1 2 350.422 3.142 20 30 FGEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)S1 ZINC000301625363 498194860 /nfs/dbraw/zinc/19/48/60/498194860.db2.gz GIQAOOVPBGITOV-LLVKDONJSA-N 1 2 354.401 3.190 20 30 FGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000330800873 498196755 /nfs/dbraw/zinc/19/67/55/498196755.db2.gz AEJOIYKBALEUPQ-SKDRFNHKSA-N 1 2 356.651 3.323 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000289592559 498209531 /nfs/dbraw/zinc/20/95/31/498209531.db2.gz JPEOGGQNKCKTET-AWEZNQCLSA-N 1 2 374.444 3.406 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)/C=C/c2ccc(OCC#N)cc2)c1 ZINC000360058878 498242336 /nfs/dbraw/zinc/24/23/36/498242336.db2.gz MVDZCNCYPNVMOW-JXMROGBWSA-N 1 2 372.428 3.319 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000364997232 498247713 /nfs/dbraw/zinc/24/77/13/498247713.db2.gz IWQWFGZMBAFLJE-LJQANCHMSA-N 1 2 369.490 3.126 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000364997232 498247719 /nfs/dbraw/zinc/24/77/19/498247719.db2.gz IWQWFGZMBAFLJE-LJQANCHMSA-N 1 2 369.490 3.126 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000360261851 498261094 /nfs/dbraw/zinc/26/10/94/498261094.db2.gz MNILSWJRAWNSIZ-UHFFFAOYSA-N 1 2 366.421 3.292 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@H](c1ccccc1)[NH+]1CCOCC1)CCCC2 ZINC000301897024 498316131 /nfs/dbraw/zinc/31/61/31/498316131.db2.gz QUKIVZOOMLSLQJ-OAQYLSRUSA-N 1 2 362.477 3.317 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3nc4c(cc3C#N)CCC4)CC2)cs1 ZINC000365220567 498359139 /nfs/dbraw/zinc/35/91/39/498359139.db2.gz DQYDLTRXLNHJBB-UHFFFAOYSA-N 1 2 367.522 3.173 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCC4)CC2)cs1 ZINC000365220567 498359146 /nfs/dbraw/zinc/35/91/46/498359146.db2.gz DQYDLTRXLNHJBB-UHFFFAOYSA-N 1 2 367.522 3.173 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289968065 498374121 /nfs/dbraw/zinc/37/41/21/498374121.db2.gz WYOHDBURDKMVLE-HUUCEWRRSA-N 1 2 365.424 3.307 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289968065 498374128 /nfs/dbraw/zinc/37/41/28/498374128.db2.gz WYOHDBURDKMVLE-HUUCEWRRSA-N 1 2 365.424 3.307 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3cc(C(C)=O)ccc3C#N)CC2)cc1F ZINC000302025734 498374446 /nfs/dbraw/zinc/37/44/46/498374446.db2.gz KQESVJJVYLOMKE-UHFFFAOYSA-N 1 2 367.424 3.231 20 30 FGEDLO Cc1nsc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000297313177 498401116 /nfs/dbraw/zinc/40/11/16/498401116.db2.gz BZLLQJNERKBRLG-UHFFFAOYSA-N 1 2 356.455 3.030 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc2ccccn12 ZINC000302108475 498408689 /nfs/dbraw/zinc/40/86/89/498408689.db2.gz SPSPUOPDJDYMPX-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO C=CCN(CCC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000293636888 498436012 /nfs/dbraw/zinc/43/60/12/498436012.db2.gz DBIIGRMNXPBKHL-UHFFFAOYSA-N 1 2 364.449 3.085 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000282433915 498509329 /nfs/dbraw/zinc/50/93/29/498509329.db2.gz YWUDWKHXCGKXTQ-KLAILNCOSA-N 1 2 360.527 3.466 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000332131880 498572596 /nfs/dbraw/zinc/57/25/96/498572596.db2.gz IHSBDNIIASZTBI-UXHICEINSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000332131880 498572599 /nfs/dbraw/zinc/57/25/99/498572599.db2.gz IHSBDNIIASZTBI-UXHICEINSA-N 1 2 355.482 3.194 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298258559 498712883 /nfs/dbraw/zinc/71/28/83/498712883.db2.gz LEHKSBPJNNGFCC-KSZLIROESA-N 1 2 354.454 3.122 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000332541340 498718859 /nfs/dbraw/zinc/71/88/59/498718859.db2.gz XEJQBOJXYCPEGQ-LJQANCHMSA-N 1 2 368.481 3.296 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000332542747 498719309 /nfs/dbraw/zinc/71/93/09/498719309.db2.gz YACKVDLEIWGQFY-MOPGFXCFSA-N 1 2 357.454 3.185 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1 ZINC000366022112 498738481 /nfs/dbraw/zinc/73/84/81/498738481.db2.gz CNGIWGIYJIXNJQ-ZDUSSCGKSA-N 1 2 352.369 3.456 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000366093042 498771552 /nfs/dbraw/zinc/77/15/52/498771552.db2.gz NVILQNDCEFYCEU-NQIIRXRSSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000366093042 498771556 /nfs/dbraw/zinc/77/15/56/498771556.db2.gz NVILQNDCEFYCEU-NQIIRXRSSA-N 1 2 361.530 3.198 20 30 FGEDLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000363374813 498787282 /nfs/dbraw/zinc/78/72/82/498787282.db2.gz HJQUARVAQVRUFV-UHFFFAOYSA-N 1 2 353.447 3.356 20 30 FGEDLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000363374813 498787290 /nfs/dbraw/zinc/78/72/90/498787290.db2.gz HJQUARVAQVRUFV-UHFFFAOYSA-N 1 2 353.447 3.356 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298666976 498843298 /nfs/dbraw/zinc/84/32/98/498843298.db2.gz QLOSBQNKNZVNDQ-INIZCTEOSA-N 1 2 364.449 3.027 20 30 FGEDLO CC[C@@]1(C)CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000328616125 498875759 /nfs/dbraw/zinc/87/57/59/498875759.db2.gz SDUCADZRCFCULN-KSSFIOAISA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@@]1(C)CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000328616125 498875767 /nfs/dbraw/zinc/87/57/67/498875767.db2.gz SDUCADZRCFCULN-KSSFIOAISA-N 1 2 366.531 3.421 20 30 FGEDLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)NC(=O)C1CCCC1 ZINC000328657730 498893437 /nfs/dbraw/zinc/89/34/37/498893437.db2.gz PRJFNFNFIGGZQV-KDOFPFPSSA-N 1 2 361.461 3.224 20 30 FGEDLO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)c1 ZINC000363615628 498906723 /nfs/dbraw/zinc/90/67/23/498906723.db2.gz MYEQIDMRYCVQPH-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328713617 498911489 /nfs/dbraw/zinc/91/14/89/498911489.db2.gz NWNFSWIEBJUCHH-ZDUSSCGKSA-N 1 2 374.407 3.141 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 ZINC000328761662 498930311 /nfs/dbraw/zinc/93/03/11/498930311.db2.gz YEIQPMIOKKQXQE-PBHICJAKSA-N 1 2 373.526 3.152 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1coc(C3CCOCC3)n1)C2 ZINC000328781207 498936711 /nfs/dbraw/zinc/93/67/11/498936711.db2.gz HHCAKKLMQUGBKU-CQSZACIVSA-N 1 2 372.469 3.382 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC000328795225 498941792 /nfs/dbraw/zinc/94/17/92/498941792.db2.gz TVDVRAWRSCYIQK-HNNXBMFYSA-N 1 2 364.453 3.081 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC[C@H](O)CC3)n2)C1 ZINC000328805839 498944527 /nfs/dbraw/zinc/94/45/27/498944527.db2.gz NFVMDOKKBLNIMW-UMVBOHGHSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC[C@H](O)CC3)n2)C1 ZINC000328805839 498944533 /nfs/dbraw/zinc/94/45/33/498944533.db2.gz NFVMDOKKBLNIMW-UMVBOHGHSA-N 1 2 352.504 3.004 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCCC13CCOCC3)C2 ZINC000328827218 498952483 /nfs/dbraw/zinc/95/24/83/498952483.db2.gz QMKZNQFVMUDCGH-JKSUJKDBSA-N 1 2 374.529 3.348 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCCC13CCOCC3)C2 ZINC000328827218 498952489 /nfs/dbraw/zinc/95/24/89/498952489.db2.gz QMKZNQFVMUDCGH-JKSUJKDBSA-N 1 2 374.529 3.348 20 30 FGEDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074312 498957011 /nfs/dbraw/zinc/95/70/11/498957011.db2.gz FNULEWCWGYKAMA-CRAIPNDOSA-N 1 2 354.454 3.023 20 30 FGEDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)o1 ZINC000299074312 498957019 /nfs/dbraw/zinc/95/70/19/498957019.db2.gz FNULEWCWGYKAMA-CRAIPNDOSA-N 1 2 354.454 3.023 20 30 FGEDLO N#Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)cc(N)c1[N+](=O)[O-] ZINC000283692301 498959422 /nfs/dbraw/zinc/95/94/22/498959422.db2.gz YXGOLCLJGSCKMB-UHFFFAOYSA-N 1 2 352.398 3.046 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000328881741 498972248 /nfs/dbraw/zinc/97/22/48/498972248.db2.gz WRTSJRGTLJDLAB-MCIONIFRSA-N 1 2 358.408 3.492 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)C1 ZINC000328882531 498973094 /nfs/dbraw/zinc/97/30/94/498973094.db2.gz XFBLUYCAUGYATC-DOMZBBRYSA-N 1 2 360.845 3.301 20 30 FGEDLO O=C(CNC(=O)C[N@@H+]1CCOCC12CCCC2)Nc1ccc(F)c(F)c1 ZINC000328925613 498988009 /nfs/dbraw/zinc/98/80/09/498988009.db2.gz OHRBMISIPFLUTL-UHFFFAOYSA-N 1 2 367.396 3.154 20 30 FGEDLO O=C(CNC(=O)C[N@H+]1CCOCC12CCCC2)Nc1ccc(F)c(F)c1 ZINC000328925613 498988015 /nfs/dbraw/zinc/98/80/15/498988015.db2.gz OHRBMISIPFLUTL-UHFFFAOYSA-N 1 2 367.396 3.154 20 30 FGEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000328949254 498996125 /nfs/dbraw/zinc/99/61/25/498996125.db2.gz WLTXXSYZQRZPMZ-HXUWFJFHSA-N 1 2 369.509 3.007 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)N(C)CC2)C1CCOCC1 ZINC000328977958 499003943 /nfs/dbraw/zinc/00/39/43/499003943.db2.gz DLXDOPOQTXGKSU-IBGZPJMESA-N 1 2 368.481 3.368 20 30 FGEDLO Cc1cc(NC(=O)c2nccn3ccnc23)c[nH+]c1N1CCCC[C@H]1C ZINC000328984738 499006515 /nfs/dbraw/zinc/00/65/15/499006515.db2.gz SZEIBZHESKQBHD-CQSZACIVSA-N 1 2 350.426 3.448 20 30 FGEDLO N#CCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618022 499006495 /nfs/dbraw/zinc/00/64/95/499006495.db2.gz MWUDXAGSBQEDOV-ROUUACIJSA-N 1 2 374.435 3.236 20 30 FGEDLO N#CCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618022 499006502 /nfs/dbraw/zinc/00/65/02/499006502.db2.gz MWUDXAGSBQEDOV-ROUUACIJSA-N 1 2 374.435 3.236 20 30 FGEDLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000328991571 499008493 /nfs/dbraw/zinc/00/84/93/499008493.db2.gz DHJZATHRUNMXES-FKEXNYPISA-N 1 2 358.486 3.397 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000329056694 499027967 /nfs/dbraw/zinc/02/79/67/499027967.db2.gz STDMQKKYAXDTLP-RPVQJOFSSA-N 1 2 352.862 3.095 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000329056694 499027974 /nfs/dbraw/zinc/02/79/74/499027974.db2.gz STDMQKKYAXDTLP-RPVQJOFSSA-N 1 2 352.862 3.095 20 30 FGEDLO Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329060737 499030509 /nfs/dbraw/zinc/03/05/09/499030509.db2.gz ZEDHJCYQFVPZAI-VQIMIIECSA-N 1 2 370.428 3.067 20 30 FGEDLO Cc1nc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ccc1C#N ZINC000329093020 499039706 /nfs/dbraw/zinc/03/97/06/499039706.db2.gz KCKYHSDEWHJYKT-UHFFFAOYSA-N 1 2 359.433 3.233 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000329197792 499069927 /nfs/dbraw/zinc/06/99/27/499069927.db2.gz ADKUBJUKZCPVRP-UHFFFAOYSA-N 1 2 363.465 3.386 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000329197792 499069931 /nfs/dbraw/zinc/06/99/31/499069931.db2.gz ADKUBJUKZCPVRP-UHFFFAOYSA-N 1 2 363.465 3.386 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cs1 ZINC000364048620 499099502 /nfs/dbraw/zinc/09/95/02/499099502.db2.gz QPLLVLQUWUDRDW-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cs1 ZINC000364048620 499099503 /nfs/dbraw/zinc/09/95/03/499099503.db2.gz QPLLVLQUWUDRDW-UHFFFAOYSA-N 1 2 371.466 3.198 20 30 FGEDLO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000329348799 499105303 /nfs/dbraw/zinc/10/53/03/499105303.db2.gz SHYNKYDBAWHTLA-DLBZAZTESA-N 1 2 368.485 3.007 20 30 FGEDLO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000329348799 499105307 /nfs/dbraw/zinc/10/53/07/499105307.db2.gz SHYNKYDBAWHTLA-DLBZAZTESA-N 1 2 368.485 3.007 20 30 FGEDLO CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329463207 499125327 /nfs/dbraw/zinc/12/53/27/499125327.db2.gz UGPFDKSCXHOFAH-HNNXBMFYSA-N 1 2 369.469 3.121 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329491365 499127832 /nfs/dbraw/zinc/12/78/32/499127832.db2.gz ZFTBXERGCZZKMV-MRXNPFEDSA-N 1 2 373.497 3.258 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329491365 499127833 /nfs/dbraw/zinc/12/78/33/499127833.db2.gz ZFTBXERGCZZKMV-MRXNPFEDSA-N 1 2 373.497 3.258 20 30 FGEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056705 499141224 /nfs/dbraw/zinc/14/12/24/499141224.db2.gz BANXMWXZSPFBMO-SFHVURJKSA-N 1 2 356.514 3.270 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(N4C[C@H]5CC[C@@H](C4)O5)cc3)n2c1 ZINC000370019216 499167641 /nfs/dbraw/zinc/16/76/41/499167641.db2.gz KZYYCOWAMZFNOS-BGYRXZFFSA-N 1 2 359.433 3.186 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372811608 499179055 /nfs/dbraw/zinc/17/90/55/499179055.db2.gz HRZHEOZKNXLLEI-VXGBXAGGSA-N 1 2 365.466 3.415 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370121741 499183604 /nfs/dbraw/zinc/18/36/04/499183604.db2.gz VEYKKGHPHVMIJW-GHTZIAJQSA-N 1 2 365.481 3.002 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000370121741 499183606 /nfs/dbraw/zinc/18/36/06/499183606.db2.gz VEYKKGHPHVMIJW-GHTZIAJQSA-N 1 2 365.481 3.002 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467943 499202552 /nfs/dbraw/zinc/20/25/52/499202552.db2.gz ZFCJCOPYIKVUBO-MOPGFXCFSA-N 1 2 368.506 3.251 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467943 499202553 /nfs/dbraw/zinc/20/25/53/499202553.db2.gz ZFCJCOPYIKVUBO-MOPGFXCFSA-N 1 2 368.506 3.251 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000368219826 499275185 /nfs/dbraw/zinc/27/51/85/499275185.db2.gz AWOUESXMWMTNOB-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO C=CCc1cc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OC ZINC000371254998 499302868 /nfs/dbraw/zinc/30/28/68/499302868.db2.gz CBAVNAANRVQDCC-MRXNPFEDSA-N 1 2 369.465 3.245 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000371293526 499306730 /nfs/dbraw/zinc/30/67/30/499306730.db2.gz WMHTXUINISCDGR-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)CCO2)c1 ZINC000371293526 499306732 /nfs/dbraw/zinc/30/67/32/499306732.db2.gz WMHTXUINISCDGR-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000371312409 499309046 /nfs/dbraw/zinc/30/90/46/499309046.db2.gz FBIQNZXPKUOQKC-UHFFFAOYSA-N 1 2 357.417 3.205 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)CSc2ccc(C#N)cc2)c1 ZINC000371386408 499319351 /nfs/dbraw/zinc/31/93/51/499319351.db2.gz ANRQAZGFSBUPHL-UHFFFAOYSA-N 1 2 362.458 3.367 20 30 FGEDLO Cc1ccncc1C1=CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000368843341 499338791 /nfs/dbraw/zinc/33/87/91/499338791.db2.gz LKRUEZRDBTXJIW-UHFFFAOYSA-N 1 2 360.461 3.426 20 30 FGEDLO Cc1ccncc1C1=CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000368843341 499338793 /nfs/dbraw/zinc/33/87/93/499338793.db2.gz LKRUEZRDBTXJIW-UHFFFAOYSA-N 1 2 360.461 3.426 20 30 FGEDLO N#CCc1cccc(C(=O)NC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000368946953 499349309 /nfs/dbraw/zinc/34/93/09/499349309.db2.gz IZMODFCWXPYITM-UHFFFAOYSA-N 1 2 359.433 3.028 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccn3)CC2)c(C#N)c1C ZINC000369096429 499365361 /nfs/dbraw/zinc/36/53/61/499365361.db2.gz QVBYBSUWVXBZGN-OAHLLOKOSA-N 1 2 366.465 3.445 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369127308 499368226 /nfs/dbraw/zinc/36/82/26/499368226.db2.gz VOJRGZAXVARYEN-IIBYNOLFSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369127308 499368228 /nfs/dbraw/zinc/36/82/28/499368228.db2.gz VOJRGZAXVARYEN-IIBYNOLFSA-N 1 2 368.456 3.250 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369203368 499376809 /nfs/dbraw/zinc/37/68/09/499376809.db2.gz BZVRESDGFRNPSK-UHFFFAOYSA-N 1 2 362.477 3.380 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000369516300 499411267 /nfs/dbraw/zinc/41/12/67/499411267.db2.gz CWXWRJOBTKPQQZ-OPAMFIHVSA-N 1 2 370.412 3.187 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000369516300 499411268 /nfs/dbraw/zinc/41/12/68/499411268.db2.gz CWXWRJOBTKPQQZ-OPAMFIHVSA-N 1 2 370.412 3.187 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000373252177 499459939 /nfs/dbraw/zinc/45/99/39/499459939.db2.gz LDSJXKDUOMWVDV-HNNXBMFYSA-N 1 2 360.417 3.180 20 30 FGEDLO C=CCOc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378444147 499517856 /nfs/dbraw/zinc/51/78/56/499517856.db2.gz WCCQTCDXTSUPRW-QGZVFWFLSA-N 1 2 361.438 3.399 20 30 FGEDLO N#Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccc1C(F)(F)F ZINC000375656381 499541901 /nfs/dbraw/zinc/54/19/01/499541901.db2.gz HOFMKUAMPORMFZ-HNNXBMFYSA-N 1 2 350.344 3.250 20 30 FGEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000375658149 499542012 /nfs/dbraw/zinc/54/20/12/499542012.db2.gz PJQMUWICVMUFQD-HNNXBMFYSA-N 1 2 350.344 3.250 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Br ZINC000376620505 499623606 /nfs/dbraw/zinc/62/36/06/499623606.db2.gz FPCNVSHACYWCLU-LBPRGKRZSA-N 1 2 374.242 3.455 20 30 FGEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1=O ZINC000410113255 499642915 /nfs/dbraw/zinc/64/29/15/499642915.db2.gz PBKMBLBJNLTCAA-GOSISDBHSA-N 1 2 365.433 3.041 20 30 FGEDLO Cc1cc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)c(C)c[nH+]1 ZINC000376952413 499648993 /nfs/dbraw/zinc/64/89/93/499648993.db2.gz KFMBRVHRTOOBKS-UHFFFAOYSA-N 1 2 370.403 3.125 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410305624 499653592 /nfs/dbraw/zinc/65/35/92/499653592.db2.gz IFXJBJOQDFQILU-UHFFFAOYSA-N 1 2 374.444 3.092 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c(F)c1 ZINC000377627253 499712623 /nfs/dbraw/zinc/71/26/23/499712623.db2.gz UHLQNKDPYLXRLA-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c(F)c1 ZINC000377627253 499712625 /nfs/dbraw/zinc/71/26/25/499712625.db2.gz UHLQNKDPYLXRLA-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1)C1CCCC1 ZINC000378123478 499760047 /nfs/dbraw/zinc/76/00/47/499760047.db2.gz YUWVYIXEXLFMLS-IBGZPJMESA-N 1 2 366.465 3.106 20 30 FGEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000411624055 499770351 /nfs/dbraw/zinc/77/03/51/499770351.db2.gz XHQHNOWWQBQHGI-ZDUSSCGKSA-N 1 2 370.280 3.209 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425236931 500052837 /nfs/dbraw/zinc/05/28/37/500052837.db2.gz QZMWMWZGCMIBGE-AWEZNQCLSA-N 1 2 368.403 3.279 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416676187 500082725 /nfs/dbraw/zinc/08/27/25/500082725.db2.gz CGLLWIGQYIBGOT-GOSISDBHSA-N 1 2 351.454 3.288 20 30 FGEDLO C[C@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@H]1C(=O)OC(C)(C)C ZINC000425360439 500084206 /nfs/dbraw/zinc/08/42/06/500084206.db2.gz VSEBGZIAGFIHIH-KBXCAEBGSA-N 1 2 354.454 3.148 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548060 500141345 /nfs/dbraw/zinc/14/13/45/500141345.db2.gz GDMAQYHKESXIJC-RTBURBONSA-N 1 2 354.450 3.053 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548060 500141346 /nfs/dbraw/zinc/14/13/46/500141346.db2.gz GDMAQYHKESXIJC-RTBURBONSA-N 1 2 354.450 3.053 20 30 FGEDLO Cn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC000573396229 506186825 /nfs/dbraw/zinc/18/68/25/506186825.db2.gz BJSOYYNHDPTHOR-OAHLLOKOSA-N 1 2 367.840 3.147 20 30 FGEDLO Cn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC000573396229 506186828 /nfs/dbraw/zinc/18/68/28/506186828.db2.gz BJSOYYNHDPTHOR-OAHLLOKOSA-N 1 2 367.840 3.147 20 30 FGEDLO C=CCN1C(=O)N(Cc2cn3ccc(C)cc3[nH+]2)C(=O)[C@H]1Cc1ccccc1 ZINC000431007603 500321919 /nfs/dbraw/zinc/32/19/19/500321919.db2.gz VMVRACVQGPKTQE-LJQANCHMSA-N 1 2 374.444 3.204 20 30 FGEDLO N#Cc1cncnc1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000576579935 506191698 /nfs/dbraw/zinc/19/16/98/506191698.db2.gz OCWOUHPPIXTJIJ-UHFFFAOYSA-N 1 2 362.264 3.153 20 30 FGEDLO C=CCC[C@@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000419931098 500407845 /nfs/dbraw/zinc/40/78/45/500407845.db2.gz ZQYYSXIYHVOAJI-GJZGRUSLSA-N 1 2 358.829 3.050 20 30 FGEDLO N#CCCC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000431819004 500429583 /nfs/dbraw/zinc/42/95/83/500429583.db2.gz WDAHOKBGILCVMF-LJQANCHMSA-N 1 2 365.481 3.496 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCOCC1 ZINC000424537421 500514104 /nfs/dbraw/zinc/51/41/04/500514104.db2.gz PTJHPDWHIKORIC-RMKNXTFCSA-N 1 2 354.494 3.217 20 30 FGEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432427067 500515141 /nfs/dbraw/zinc/51/51/41/500515141.db2.gz WZPXKRBWCLPOEP-UHFFFAOYSA-N 1 2 358.804 3.381 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000432562614 500533010 /nfs/dbraw/zinc/53/30/10/500533010.db2.gz MIGLBFMGLGZOTF-KRWDZBQOSA-N 1 2 356.470 3.420 20 30 FGEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1Cl ZINC000428791385 500557839 /nfs/dbraw/zinc/55/78/39/500557839.db2.gz DCFAAMKQMQLPAO-IBGZPJMESA-N 1 2 369.852 3.167 20 30 FGEDLO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126161 500605152 /nfs/dbraw/zinc/60/51/52/500605152.db2.gz RDTKCGDCBNFQBI-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccc2nc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc(=O)n12 ZINC000437126161 500605153 /nfs/dbraw/zinc/60/51/53/500605153.db2.gz RDTKCGDCBNFQBI-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO N#CCCC[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000433029655 500609390 /nfs/dbraw/zinc/60/93/90/500609390.db2.gz TVOFMBSNLLJJBV-INIZCTEOSA-N 1 2 368.462 3.033 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@H+](C)CC(C)(C)C#N)nc(N)c23)C1 ZINC000433317368 500670771 /nfs/dbraw/zinc/67/07/71/500670771.db2.gz IMVWZMYVPAIHLE-LBPRGKRZSA-N 1 2 357.527 3.422 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CC(C)(C)C#N)nc(N)c23)C1 ZINC000433317368 500670773 /nfs/dbraw/zinc/67/07/73/500670773.db2.gz IMVWZMYVPAIHLE-LBPRGKRZSA-N 1 2 357.527 3.422 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000433326842 500673267 /nfs/dbraw/zinc/67/32/67/500673267.db2.gz PSFQZIOROFLPMD-CQSZACIVSA-N 1 2 355.360 3.172 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000433326842 500673272 /nfs/dbraw/zinc/67/32/72/500673272.db2.gz PSFQZIOROFLPMD-CQSZACIVSA-N 1 2 355.360 3.172 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437791292 500696495 /nfs/dbraw/zinc/69/64/95/500696495.db2.gz ZTAMTZMVNHTIBR-RLLQIKCJSA-N 1 2 357.498 3.026 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437791292 500696499 /nfs/dbraw/zinc/69/64/99/500696499.db2.gz ZTAMTZMVNHTIBR-RLLQIKCJSA-N 1 2 357.498 3.026 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000438721560 500815195 /nfs/dbraw/zinc/81/51/95/500815195.db2.gz FPBRRNPDJDYELJ-GOSISDBHSA-N 1 2 371.481 3.295 20 30 FGEDLO N#CCC[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000438835762 500825234 /nfs/dbraw/zinc/82/52/34/500825234.db2.gz DNIIWELLUNFPKN-CQSZACIVSA-N 1 2 365.359 3.290 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000448889955 500862237 /nfs/dbraw/zinc/86/22/37/500862237.db2.gz FBXQHWBFKFECRP-GFCCVEGCSA-N 1 2 359.227 3.064 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(Cl)c1 ZINC000444782645 500899570 /nfs/dbraw/zinc/89/95/70/500899570.db2.gz KAOCXIGEQFKGPG-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(c3cccc(C#N)c3)CC1)C2 ZINC000435088350 500932517 /nfs/dbraw/zinc/93/25/17/500932517.db2.gz TTWVAXQPIMHWGP-KRWDZBQOSA-N 1 2 362.477 3.215 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000439779772 500938051 /nfs/dbraw/zinc/93/80/51/500938051.db2.gz FBYLHCCCCUAWMI-FBBABVLZSA-N 1 2 373.541 3.430 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000439779772 500938053 /nfs/dbraw/zinc/93/80/53/500938053.db2.gz FBYLHCCCCUAWMI-FBBABVLZSA-N 1 2 373.541 3.430 20 30 FGEDLO Cn1cc(Br)c(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000449483190 501014426 /nfs/dbraw/zinc/01/44/26/501014426.db2.gz HCOGROFAYLMTKU-UHFFFAOYSA-N 1 2 373.176 3.363 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000440627151 501031174 /nfs/dbraw/zinc/03/11/74/501031174.db2.gz SDRGITXOQWBSSL-YADHBBJMSA-N 1 2 374.488 3.064 20 30 FGEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2ccnc(C#N)c2)c1 ZINC000440879732 501059409 /nfs/dbraw/zinc/05/94/09/501059409.db2.gz ZDWQHFWVUNEXNK-UHFFFAOYSA-N 1 2 351.797 3.485 20 30 FGEDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000588205239 506234149 /nfs/dbraw/zinc/23/41/49/506234149.db2.gz IHODDTBYBQTGAN-LBPRGKRZSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000588205238 506234481 /nfs/dbraw/zinc/23/44/81/506234481.db2.gz IHODDTBYBQTGAN-GFCCVEGCSA-N 1 2 364.287 3.057 20 30 FGEDLO CN(C)c1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]c2ccccc21 ZINC000450406378 501113431 /nfs/dbraw/zinc/11/34/31/501113431.db2.gz GBBZHEDVNAIFDZ-IBGZPJMESA-N 1 2 359.433 3.145 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450410488 501114409 /nfs/dbraw/zinc/11/44/09/501114409.db2.gz VUVZFNGCSZZVBS-FUHWJXTLSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450410488 501114412 /nfs/dbraw/zinc/11/44/12/501114412.db2.gz VUVZFNGCSZZVBS-FUHWJXTLSA-N 1 2 374.847 3.255 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC000450471223 501129559 /nfs/dbraw/zinc/12/95/59/501129559.db2.gz VXVWCOQMRQWRMH-CQSZACIVSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cccc(Cl)c3C#N)CC2)no1 ZINC000450471223 501129561 /nfs/dbraw/zinc/12/95/61/501129561.db2.gz VXVWCOQMRQWRMH-CQSZACIVSA-N 1 2 359.861 3.394 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000449950472 501134963 /nfs/dbraw/zinc/13/49/63/501134963.db2.gz IGQBXGPIVHYTQG-NEWSRXKRSA-N 1 2 364.436 3.151 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(C#N)c(Cl)s2)cc1 ZINC000596063300 506236307 /nfs/dbraw/zinc/23/63/07/506236307.db2.gz LBRQFRYSIJHGAH-OAHLLOKOSA-N 1 2 362.886 3.462 20 30 FGEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450657382 501178891 /nfs/dbraw/zinc/17/88/91/501178891.db2.gz LJRVLCARIMLNMQ-QGZVFWFLSA-N 1 2 373.298 3.325 20 30 FGEDLO Cc1cncc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)no2)c1 ZINC000450258697 501220711 /nfs/dbraw/zinc/22/07/11/501220711.db2.gz BKYHWDCLDJJBAK-UHFFFAOYSA-N 1 2 374.448 3.024 20 30 FGEDLO Cc1cncc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)no2)c1 ZINC000450258697 501220714 /nfs/dbraw/zinc/22/07/14/501220714.db2.gz BKYHWDCLDJJBAK-UHFFFAOYSA-N 1 2 374.448 3.024 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)CCC2 ZINC000450312352 501231420 /nfs/dbraw/zinc/23/14/20/501231420.db2.gz LJHCFIKNROZCNC-GFCCVEGCSA-N 1 2 373.254 3.133 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC(C)(C)CC#N)c(C)c1 ZINC000451347355 501272215 /nfs/dbraw/zinc/27/22/15/501272215.db2.gz ODXJVHYFAFFMDH-GOSISDBHSA-N 1 2 374.510 3.101 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457679287 501285295 /nfs/dbraw/zinc/28/52/95/501285295.db2.gz DRWURTNPMXIMIH-GRGSLBFTSA-N 1 2 364.436 3.198 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000457679287 501285296 /nfs/dbraw/zinc/28/52/96/501285296.db2.gz DRWURTNPMXIMIH-GRGSLBFTSA-N 1 2 364.436 3.198 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455453066 501306021 /nfs/dbraw/zinc/30/60/21/501306021.db2.gz HCWIMMRRVJPKOZ-SNVBAGLBSA-N 1 2 362.231 3.420 20 30 FGEDLO CC(C)(CC#N)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000457994639 501352430 /nfs/dbraw/zinc/35/24/30/501352430.db2.gz OVEMEKXSLDMYBG-UHFFFAOYSA-N 1 2 366.465 3.213 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906839 501398236 /nfs/dbraw/zinc/39/82/36/501398236.db2.gz LXYDCMPSQCIQRG-LRDDRELGSA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906839 501398237 /nfs/dbraw/zinc/39/82/37/501398237.db2.gz LXYDCMPSQCIQRG-LRDDRELGSA-N 1 2 374.428 3.148 20 30 FGEDLO C=CCC1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000451949516 501406562 /nfs/dbraw/zinc/40/65/62/501406562.db2.gz CMKVKKVBKSUNBV-UHFFFAOYSA-N 1 2 359.495 3.346 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCSCc1ccccc1C#N ZINC000454223303 501486017 /nfs/dbraw/zinc/48/60/17/501486017.db2.gz OWPFXGNBYQQKKL-CQSZACIVSA-N 1 2 357.483 3.068 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000456364972 501509958 /nfs/dbraw/zinc/50/99/58/501509958.db2.gz VOBWKSZLXJQZRU-HNNXBMFYSA-N 1 2 362.437 3.171 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000596101100 506259321 /nfs/dbraw/zinc/25/93/21/506259321.db2.gz ASGMMWRNXWPFSO-MAUKXSAKSA-N 1 2 357.845 3.108 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)Cc3c(F)cccc3C#N)ccc2n1[C@H](C)CO ZINC000456700906 501580813 /nfs/dbraw/zinc/58/08/13/501580813.db2.gz PAQNJLOWOCHKNY-GFCCVEGCSA-N 1 2 366.396 3.090 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)NCc2c[nH+]c(C)cc2C)c1C#N ZINC000456844143 501609142 /nfs/dbraw/zinc/60/91/42/501609142.db2.gz HQAZKSYHBSWPRT-UHFFFAOYSA-N 1 2 352.463 3.494 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459317806 501629610 /nfs/dbraw/zinc/62/96/10/501629610.db2.gz UWTRWXOHLDKJMP-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459391476 501645096 /nfs/dbraw/zinc/64/50/96/501645096.db2.gz PWTUDFDZDWQAQG-ACJLOTCBSA-N 1 2 353.378 3.106 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255588 501771226 /nfs/dbraw/zinc/77/12/26/501771226.db2.gz UTTPRCZYQPVIIU-WSTZPKSXSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255588 501771227 /nfs/dbraw/zinc/77/12/27/501771227.db2.gz UTTPRCZYQPVIIU-WSTZPKSXSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1C ZINC000485344137 501792760 /nfs/dbraw/zinc/79/27/60/501792760.db2.gz ILKSERIIWUMJIS-RTBURBONSA-N 1 2 359.514 3.195 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1C ZINC000485344137 501792764 /nfs/dbraw/zinc/79/27/64/501792764.db2.gz ILKSERIIWUMJIS-RTBURBONSA-N 1 2 359.514 3.195 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000474352840 501802076 /nfs/dbraw/zinc/80/20/76/501802076.db2.gz IFCPYAYWOKCHLP-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000474352840 501802081 /nfs/dbraw/zinc/80/20/81/501802081.db2.gz IFCPYAYWOKCHLP-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CCOCCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000470787624 501804158 /nfs/dbraw/zinc/80/41/58/501804158.db2.gz ANTXWDUMSYGEBQ-UHFFFAOYSA-N 1 2 350.509 3.313 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c(C#N)c1C ZINC000471151420 501937190 /nfs/dbraw/zinc/93/71/90/501937190.db2.gz MPJLUDJJXNUJGU-AWEZNQCLSA-N 1 2 368.437 3.034 20 30 FGEDLO C[C@H](OC1CCCCCC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000471159244 501940677 /nfs/dbraw/zinc/94/06/77/501940677.db2.gz DUBDNBXVRPABBH-SFHVURJKSA-N 1 2 369.509 3.330 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1 ZINC000464282296 501942930 /nfs/dbraw/zinc/94/29/30/501942930.db2.gz XBYOHAVKAQSDOK-UHFFFAOYSA-N 1 2 358.445 3.394 20 30 FGEDLO N#Cc1ccncc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000485814666 501948658 /nfs/dbraw/zinc/94/86/58/501948658.db2.gz BKEWWUBFVTYMSQ-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO CCC[C@@H]1CN(c2cc(C)[nH+]c(N3CCO[C@@H](CCC)C3)c2C#N)CCO1 ZINC000596181329 506296879 /nfs/dbraw/zinc/29/68/79/506296879.db2.gz ZYHICUDCHVOUNW-MSOLQXFVSA-N 1 2 372.513 3.272 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000486453503 502158479 /nfs/dbraw/zinc/15/84/79/502158479.db2.gz VGDURZIJJDHEJZ-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO CC#CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000482740482 502166780 /nfs/dbraw/zinc/16/67/80/502166780.db2.gz IJOHMLXBFPKMJL-INIZCTEOSA-N 1 2 351.853 3.329 20 30 FGEDLO CCOc1cc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)ccc1[N+](=O)[O-] ZINC000475509580 502197153 /nfs/dbraw/zinc/19/71/53/502197153.db2.gz CZLAEJUZYMUCNG-UHFFFAOYSA-N 1 2 372.450 3.249 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)c1cccc(C#N)c1 ZINC000461782206 502199701 /nfs/dbraw/zinc/19/97/01/502199701.db2.gz AAKQHUSNRSSXMY-AUUYWEPGSA-N 1 2 362.408 3.440 20 30 FGEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000483030973 502250846 /nfs/dbraw/zinc/25/08/46/502250846.db2.gz RBTOYRSIZYTDTO-INIZCTEOSA-N 1 2 354.429 3.296 20 30 FGEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000483030973 502250853 /nfs/dbraw/zinc/25/08/53/502250853.db2.gz RBTOYRSIZYTDTO-INIZCTEOSA-N 1 2 354.429 3.296 20 30 FGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000476051501 502369636 /nfs/dbraw/zinc/36/96/36/502369636.db2.gz BHFDICWIGQCFAS-UHFFFAOYSA-N 1 2 364.493 3.263 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000479886565 502408644 /nfs/dbraw/zinc/40/86/44/502408644.db2.gz NHZNGGLOYNIBIG-GMBSWORKSA-N 1 2 356.495 3.265 20 30 FGEDLO CN(C(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)C1(C#N)CCCCC1 ZINC000469450288 502423313 /nfs/dbraw/zinc/42/33/13/502423313.db2.gz MXASJSGMSOMHAS-OAHLLOKOSA-N 1 2 361.436 3.439 20 30 FGEDLO CN(C(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)C1(C#N)CCCCC1 ZINC000469450288 502423315 /nfs/dbraw/zinc/42/33/15/502423315.db2.gz MXASJSGMSOMHAS-OAHLLOKOSA-N 1 2 361.436 3.439 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C4CC4)cc3)CC2)cc1 ZINC000480081115 502468085 /nfs/dbraw/zinc/46/80/85/502468085.db2.gz FIYQUFHSQZMEGT-UHFFFAOYSA-N 1 2 374.488 3.463 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000488035843 502607206 /nfs/dbraw/zinc/60/72/06/502607206.db2.gz YFCLZHLPQWPHRZ-SFHVURJKSA-N 1 2 364.493 3.128 20 30 FGEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)c1C ZINC000462953889 502641223 /nfs/dbraw/zinc/64/12/23/502641223.db2.gz OGOWZPYXCCGQJO-PMACEKPBSA-N 1 2 351.450 3.392 20 30 FGEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)c1C ZINC000462953889 502641225 /nfs/dbraw/zinc/64/12/25/502641225.db2.gz OGOWZPYXCCGQJO-PMACEKPBSA-N 1 2 351.450 3.392 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000473615446 502655679 /nfs/dbraw/zinc/65/56/79/502655679.db2.gz DEZGDBVRVRICCA-UHFFFAOYSA-N 1 2 362.355 3.007 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463361843 502770586 /nfs/dbraw/zinc/77/05/86/502770586.db2.gz QLFZCXLSCXFGLU-LJQANCHMSA-N 1 2 371.278 3.457 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463361843 502770578 /nfs/dbraw/zinc/77/05/78/502770578.db2.gz QLFZCXLSCXFGLU-LJQANCHMSA-N 1 2 371.278 3.457 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C#N)c1C ZINC000463420459 502793811 /nfs/dbraw/zinc/79/38/11/502793811.db2.gz SYYXOOXLWXLSBE-ZDUSSCGKSA-N 1 2 365.433 3.348 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(C#N)c1C ZINC000463420459 502793815 /nfs/dbraw/zinc/79/38/15/502793815.db2.gz SYYXOOXLWXLSBE-ZDUSSCGKSA-N 1 2 365.433 3.348 20 30 FGEDLO Cc1ccc(C[C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000485016174 502800902 /nfs/dbraw/zinc/80/09/02/502800902.db2.gz JBRJBWNQIIZLNF-IBGZPJMESA-N 1 2 361.489 3.390 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC(C)(C)CCC#N ZINC000513124709 502858393 /nfs/dbraw/zinc/85/83/93/502858393.db2.gz VSJFRVOTLSYSQW-UHFFFAOYSA-N 1 2 353.470 3.403 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000505231545 502873939 /nfs/dbraw/zinc/87/39/39/502873939.db2.gz SJLZHIRVTUJIMY-UHFFFAOYSA-N 1 2 374.419 3.290 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000602894255 506341591 /nfs/dbraw/zinc/34/15/91/506341591.db2.gz JIMAHTMZKXSXTE-UHFFFAOYSA-N 1 2 365.359 3.123 20 30 FGEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C(F)(F)F)c1 ZINC000489456161 502961993 /nfs/dbraw/zinc/96/19/93/502961993.db2.gz HWVKVVKALVPEDZ-MRXNPFEDSA-N 1 2 371.322 3.281 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513660840 502993229 /nfs/dbraw/zinc/99/32/29/502993229.db2.gz OMWRDBVKAWNNNS-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513660840 502993230 /nfs/dbraw/zinc/99/32/30/502993230.db2.gz OMWRDBVKAWNNNS-VBKZILBWSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513661894 502994445 /nfs/dbraw/zinc/99/44/45/502994445.db2.gz WTPXGUICYJKAHB-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513661894 502994449 /nfs/dbraw/zinc/99/44/49/502994449.db2.gz WTPXGUICYJKAHB-XOBRGWDASA-N 1 2 367.836 3.064 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1F ZINC000489703734 503015101 /nfs/dbraw/zinc/01/51/01/503015101.db2.gz ZQZJGABKVQVVCD-UHFFFAOYSA-N 1 2 367.405 3.488 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513974500 503059304 /nfs/dbraw/zinc/05/93/04/503059304.db2.gz ORORERLAOIZHCK-DJJJIMSYSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513974500 503059308 /nfs/dbraw/zinc/05/93/08/503059308.db2.gz ORORERLAOIZHCK-DJJJIMSYSA-N 1 2 355.800 3.325 20 30 FGEDLO Cc1csc([C@@H](C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000489899800 503060378 /nfs/dbraw/zinc/06/03/78/503060378.db2.gz VXNLHKMTVOFXRE-NSHDSACASA-N 1 2 359.361 3.460 20 30 FGEDLO Cc1csc(C(C#N)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000489899800 503060381 /nfs/dbraw/zinc/06/03/81/503060381.db2.gz VXNLHKMTVOFXRE-NSHDSACASA-N 1 2 359.361 3.460 20 30 FGEDLO COc1cccc(Cl)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000514075772 503080429 /nfs/dbraw/zinc/08/04/29/503080429.db2.gz LRGADSZKGSFFNH-RBZFPXEDSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cccc(Cl)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000514075772 503080433 /nfs/dbraw/zinc/08/04/33/503080433.db2.gz LRGADSZKGSFFNH-RBZFPXEDSA-N 1 2 367.836 3.194 20 30 FGEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031195 503094526 /nfs/dbraw/zinc/09/45/26/503094526.db2.gz AAHPOKKPTJZFIA-DYESRHJHSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031195 503094529 /nfs/dbraw/zinc/09/45/29/503094529.db2.gz AAHPOKKPTJZFIA-DYESRHJHSA-N 1 2 372.513 3.089 20 30 FGEDLO N#Cc1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(Cl)c1 ZINC000599178872 506360424 /nfs/dbraw/zinc/36/04/24/506360424.db2.gz LPHDGWYGUKIVMH-UHFFFAOYSA-N 1 2 351.841 3.410 20 30 FGEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000502908075 503305513 /nfs/dbraw/zinc/30/55/13/503305513.db2.gz YFSFOVAFGGHQMK-KRWDZBQOSA-N 1 2 355.438 3.231 20 30 FGEDLO Cc1cc(F)cc2c1C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000502908075 503305519 /nfs/dbraw/zinc/30/55/19/503305519.db2.gz YFSFOVAFGGHQMK-KRWDZBQOSA-N 1 2 355.438 3.231 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957573 506364890 /nfs/dbraw/zinc/36/48/90/506364890.db2.gz WDESJVVNCOUQHB-CQSZACIVSA-N 1 2 354.479 3.296 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000507788925 503366670 /nfs/dbraw/zinc/36/66/70/503366670.db2.gz QVNYDMLSBCIMNA-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO N#Cc1cnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c(Cl)c1 ZINC000511842737 503398844 /nfs/dbraw/zinc/39/88/44/503398844.db2.gz LVBLAGXFYAIYPK-UHFFFAOYSA-N 1 2 353.788 3.494 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cn2c1 ZINC000508100218 503431109 /nfs/dbraw/zinc/43/11/09/503431109.db2.gz TYVVZIFRLAVYDW-UHFFFAOYSA-N 1 2 350.426 3.393 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc(CO)o1 ZINC000512216304 503488690 /nfs/dbraw/zinc/48/86/90/503488690.db2.gz ZQKOSJFOUJBCCA-UHFFFAOYSA-N 1 2 368.477 3.346 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccc(CO)o1 ZINC000512216304 503488692 /nfs/dbraw/zinc/48/86/92/503488692.db2.gz ZQKOSJFOUJBCCA-UHFFFAOYSA-N 1 2 368.477 3.346 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1F ZINC000512450629 503555749 /nfs/dbraw/zinc/55/57/49/503555749.db2.gz UPUKEMFRWIGTOE-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000512531575 503578308 /nfs/dbraw/zinc/57/83/08/503578308.db2.gz HHBUDBOQPYHDNG-FXAWDEMLSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000512531575 503578304 /nfs/dbraw/zinc/57/83/04/503578304.db2.gz HHBUDBOQPYHDNG-FXAWDEMLSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512532114 503578462 /nfs/dbraw/zinc/57/84/62/503578462.db2.gz LXVXOXVVSHBTBF-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512532114 503578468 /nfs/dbraw/zinc/57/84/68/503578468.db2.gz LXVXOXVVSHBTBF-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)c(F)c1 ZINC000512842249 503643080 /nfs/dbraw/zinc/64/30/80/503643080.db2.gz ZNUXMRVPLHPWPA-UHFFFAOYSA-N 1 2 368.368 3.384 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000540268891 503728091 /nfs/dbraw/zinc/72/80/91/503728091.db2.gz IBDYCUZWHDPBIV-UHFFFAOYSA-N 1 2 354.454 3.176 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)o1 ZINC000543548038 503809978 /nfs/dbraw/zinc/80/99/78/503809978.db2.gz SUFPFMOYMQOJCE-VXGBXAGGSA-N 1 2 359.455 3.062 20 30 FGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc([S@](C)=O)cc1 ZINC000537167051 503824526 /nfs/dbraw/zinc/82/45/26/503824526.db2.gz PCYOSEIDKCILPW-SRGMZFCMSA-N 1 2 366.446 3.196 20 30 FGEDLO N#Cc1cnccc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000546653518 503825296 /nfs/dbraw/zinc/82/52/96/503825296.db2.gz NBNYNUUVOJVPQC-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000537184837 503831336 /nfs/dbraw/zinc/83/13/36/503831336.db2.gz GHQUNBXRORPVFE-ICSRJNTNSA-N 1 2 359.514 3.412 20 30 FGEDLO C=C1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[NH+]3CCC(=C)CC3)c2)CC1 ZINC000533417723 503837831 /nfs/dbraw/zinc/83/78/31/503837831.db2.gz KPHZVNWWCVBJEM-UHFFFAOYSA-N 1 2 370.453 3.342 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000540665159 503849276 /nfs/dbraw/zinc/84/92/76/503849276.db2.gz WQYXLVWFAQFWMI-UHFFFAOYSA-N 1 2 353.388 3.403 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000533750228 503941730 /nfs/dbraw/zinc/94/17/30/503941730.db2.gz SFONQGZMUMBDTD-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO CC(C)CSCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000533755426 503943036 /nfs/dbraw/zinc/94/30/36/503943036.db2.gz FDUISHQSOINZPI-UHFFFAOYSA-N 1 2 374.554 3.165 20 30 FGEDLO Cc1nc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2c([nH+]1)CCCC2 ZINC000541090177 504003036 /nfs/dbraw/zinc/00/30/36/504003036.db2.gz LTHZEARRZULYJP-LJQANCHMSA-N 1 2 361.449 3.143 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c1C#N ZINC000541117277 504013810 /nfs/dbraw/zinc/01/38/10/504013810.db2.gz BEHNYEIQQMLWHO-UHFFFAOYSA-N 1 2 365.433 3.092 20 30 FGEDLO N#CCc1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000544141570 504024502 /nfs/dbraw/zinc/02/45/02/504024502.db2.gz CFWBSHVWTQEBBP-UHFFFAOYSA-N 1 2 353.853 3.250 20 30 FGEDLO N#CCc1ccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000544141570 504024509 /nfs/dbraw/zinc/02/45/09/504024509.db2.gz CFWBSHVWTQEBBP-UHFFFAOYSA-N 1 2 353.853 3.250 20 30 FGEDLO N#CCc1ccc(CS(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000541285081 504074301 /nfs/dbraw/zinc/07/43/01/504074301.db2.gz DDUZIVGWFYOJEG-UHFFFAOYSA-N 1 2 365.458 3.112 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000547417209 504097058 /nfs/dbraw/zinc/09/70/58/504097058.db2.gz VYBPRRMRSLSQPJ-UHFFFAOYSA-N 1 2 367.453 3.488 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000544518986 504160451 /nfs/dbraw/zinc/16/04/51/504160451.db2.gz QWDUNAKSBOFTGG-IQUTYRLHSA-N 1 2 361.490 3.211 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000538219429 504166643 /nfs/dbraw/zinc/16/66/43/504166643.db2.gz FPLBBYYXCVBNEL-VQIMIIECSA-N 1 2 373.403 3.100 20 30 FGEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000538219429 504166645 /nfs/dbraw/zinc/16/66/45/504166645.db2.gz FPLBBYYXCVBNEL-VQIMIIECSA-N 1 2 373.403 3.100 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000538231638 504170936 /nfs/dbraw/zinc/17/09/36/504170936.db2.gz DDIRQGUFVBIQBC-UHFFFAOYSA-N 1 2 360.373 3.116 20 30 FGEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534548174 504171411 /nfs/dbraw/zinc/17/14/11/504171411.db2.gz OMOIGUWMFJGIHO-MRXNPFEDSA-N 1 2 364.453 3.124 20 30 FGEDLO C=CC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000531143544 504203926 /nfs/dbraw/zinc/20/39/26/504203926.db2.gz RSCCBBNBSWOGIW-OAHLLOKOSA-N 1 2 357.454 3.372 20 30 FGEDLO C=CC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000531143544 504203931 /nfs/dbraw/zinc/20/39/31/504203931.db2.gz RSCCBBNBSWOGIW-OAHLLOKOSA-N 1 2 357.454 3.372 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1F ZINC000519570158 504255982 /nfs/dbraw/zinc/25/59/82/504255982.db2.gz DPDDHOXRHIIBNZ-UHFFFAOYSA-N 1 2 360.458 3.183 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc(C#N)c3)n2)C1 ZINC000531384715 504288982 /nfs/dbraw/zinc/28/89/82/504288982.db2.gz ZWZBUIHTDFVCLL-AWEZNQCLSA-N 1 2 354.479 3.428 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc(C#N)c3)n2)C1 ZINC000531384715 504288984 /nfs/dbraw/zinc/28/89/84/504288984.db2.gz ZWZBUIHTDFVCLL-AWEZNQCLSA-N 1 2 354.479 3.428 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000519856247 504365611 /nfs/dbraw/zinc/36/56/11/504365611.db2.gz DGZFIUGEMVTEAG-UHFFFAOYSA-N 1 2 350.382 3.286 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000535198532 504370550 /nfs/dbraw/zinc/37/05/50/504370550.db2.gz YPSJGANNVCQSOI-GOSISDBHSA-N 1 2 374.444 3.286 20 30 FGEDLO COc1ccc2oc([C@@H](C)[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000542585907 504546904 /nfs/dbraw/zinc/54/69/04/504546904.db2.gz KYIVSUSQRKJLTB-YJYMSZOUSA-N 1 2 363.417 3.499 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000520819637 504589833 /nfs/dbraw/zinc/58/98/33/504589833.db2.gz HJIIECBASRSRNH-LJQANCHMSA-N 1 2 359.376 3.331 20 30 FGEDLO CC1CC(C#N)(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000532321304 504609618 /nfs/dbraw/zinc/60/96/18/504609618.db2.gz FODFWXABYSCFSJ-LWGFOQHQSA-N 1 2 363.864 3.500 20 30 FGEDLO CC1CC(C#N)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000532321304 504609622 /nfs/dbraw/zinc/60/96/22/504609622.db2.gz FODFWXABYSCFSJ-LWGFOQHQSA-N 1 2 363.864 3.500 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566401 504610502 /nfs/dbraw/zinc/61/05/02/504610502.db2.gz UPFZIBSOULZKEZ-CJNGLKHVSA-N 1 2 353.388 3.288 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566401 504610507 /nfs/dbraw/zinc/61/05/07/504610507.db2.gz UPFZIBSOULZKEZ-CJNGLKHVSA-N 1 2 353.388 3.288 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000559350598 504844043 /nfs/dbraw/zinc/84/40/43/504844043.db2.gz OYOQQHWJLBGCKW-ZFWWWQNUSA-N 1 2 368.456 3.443 20 30 FGEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000559350598 504844046 /nfs/dbraw/zinc/84/40/46/504844046.db2.gz OYOQQHWJLBGCKW-ZFWWWQNUSA-N 1 2 368.456 3.443 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1C#N ZINC000562548444 504855244 /nfs/dbraw/zinc/85/52/44/504855244.db2.gz XTPSGBBIMXUDRG-GOSISDBHSA-N 1 2 358.825 3.164 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1C#N ZINC000562548444 504855250 /nfs/dbraw/zinc/85/52/50/504855250.db2.gz XTPSGBBIMXUDRG-GOSISDBHSA-N 1 2 358.825 3.164 20 30 FGEDLO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)CC(C)(C)C#N ZINC000556909817 505014609 /nfs/dbraw/zinc/01/46/09/505014609.db2.gz MXXIRBOLZJOXHT-UHFFFAOYSA-N 1 2 366.303 3.267 20 30 FGEDLO C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)CC(C)(C)C#N ZINC000556909817 505014614 /nfs/dbraw/zinc/01/46/14/505014614.db2.gz MXXIRBOLZJOXHT-UHFFFAOYSA-N 1 2 366.303 3.267 20 30 FGEDLO Cc1cccc(COc2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)c1 ZINC000563006324 505017432 /nfs/dbraw/zinc/01/74/32/505017432.db2.gz XVXYUEFISDONIJ-HXUWFJFHSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1cccc(COc2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)c1 ZINC000563006324 505017433 /nfs/dbraw/zinc/01/74/33/505017433.db2.gz XVXYUEFISDONIJ-HXUWFJFHSA-N 1 2 353.466 3.192 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000557036155 505049580 /nfs/dbraw/zinc/04/95/80/505049580.db2.gz VVOLOWLPBOKEKY-MRXNPFEDSA-N 1 2 366.440 3.179 20 30 FGEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1Br ZINC000554181370 505111583 /nfs/dbraw/zinc/11/15/83/505111583.db2.gz YFPBRVORUXVWCZ-QGZVFWFLSA-N 1 2 366.303 3.325 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1Br ZINC000554181370 505111587 /nfs/dbraw/zinc/11/15/87/505111587.db2.gz YFPBRVORUXVWCZ-QGZVFWFLSA-N 1 2 366.303 3.325 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000563367556 505123275 /nfs/dbraw/zinc/12/32/75/505123275.db2.gz PQMTYHQWQIIDFT-VXGBXAGGSA-N 1 2 351.472 3.096 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000566302479 505139384 /nfs/dbraw/zinc/13/93/84/505139384.db2.gz YTNLHSJYGVJCDZ-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000558328081 505360707 /nfs/dbraw/zinc/36/07/07/505360707.db2.gz KPPHZTRMMLSRNQ-QGZVFWFLSA-N 1 2 353.426 3.352 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000564422348 505415716 /nfs/dbraw/zinc/41/57/16/505415716.db2.gz PIRDOSNNRJPDKU-FUMNGEBKSA-N 1 2 366.465 3.145 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1C#N ZINC000558569073 505425427 /nfs/dbraw/zinc/42/54/27/505425427.db2.gz DQFVPOBGMZBBQZ-UHFFFAOYSA-N 1 2 355.442 3.266 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000552268858 505445864 /nfs/dbraw/zinc/44/58/64/505445864.db2.gz FCMOOKCRJLCEFP-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000555525465 505446456 /nfs/dbraw/zinc/44/64/56/505446456.db2.gz ZLXMNQMQYYHIDO-MRXNPFEDSA-N 1 2 366.440 3.041 20 30 FGEDLO C=CCCCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000564666814 505486819 /nfs/dbraw/zinc/48/68/19/505486819.db2.gz QWGDAZMTRLXKOQ-IRXDYDNUSA-N 1 2 360.502 3.241 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000555761879 505509985 /nfs/dbraw/zinc/50/99/85/505509985.db2.gz OKSDBEPKZXFZQR-HXUWFJFHSA-N 1 2 360.885 3.092 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000555761879 505509986 /nfs/dbraw/zinc/50/99/86/505509986.db2.gz OKSDBEPKZXFZQR-HXUWFJFHSA-N 1 2 360.885 3.092 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)NC(C)(C)c3cccc(C#N)c3)[nH+]c12 ZINC000596441466 506405995 /nfs/dbraw/zinc/40/59/95/506405995.db2.gz OMAOABZRRIWDSC-UHFFFAOYSA-N 1 2 361.449 3.291 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)c[nH+]2)CC1 ZINC000612108640 506441311 /nfs/dbraw/zinc/44/13/11/506441311.db2.gz UUKODFABVDIVKU-HXUWFJFHSA-N 1 2 355.486 3.153 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000599399757 506443091 /nfs/dbraw/zinc/44/30/91/506443091.db2.gz YQXCTTHQAOQJQG-RISCZKNCSA-N 1 2 363.248 3.442 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515995 506483672 /nfs/dbraw/zinc/48/36/72/506483672.db2.gz JYEUEMNJEYKZJD-QFBILLFUSA-N 1 2 355.388 3.242 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515995 506483676 /nfs/dbraw/zinc/48/36/76/506483676.db2.gz JYEUEMNJEYKZJD-QFBILLFUSA-N 1 2 355.388 3.242 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599582289 506510865 /nfs/dbraw/zinc/51/08/65/506510865.db2.gz MNGWRZCGXBEBRA-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599582289 506510867 /nfs/dbraw/zinc/51/08/67/506510867.db2.gz MNGWRZCGXBEBRA-UKRRQHHQSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000612300651 506516688 /nfs/dbraw/zinc/51/66/88/506516688.db2.gz WUUZBGPIWATURK-LLGFUMIMSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000612300651 506516695 /nfs/dbraw/zinc/51/66/95/506516695.db2.gz WUUZBGPIWATURK-LLGFUMIMSA-N 1 2 370.497 3.453 20 30 FGEDLO N#CC1(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCCCC1 ZINC000596680855 506531163 /nfs/dbraw/zinc/53/11/63/506531163.db2.gz RILBCRXKSHOSRE-LJQANCHMSA-N 1 2 355.482 3.040 20 30 FGEDLO COc1cccc([C@@H](NC(=O)CC2(C#N)CCCCC2)c2[nH+]ccn2C)c1 ZINC000596696405 506545261 /nfs/dbraw/zinc/54/52/61/506545261.db2.gz GHEVUNGFYIGMDV-LJQANCHMSA-N 1 2 366.465 3.498 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000596725622 506562400 /nfs/dbraw/zinc/56/24/00/506562400.db2.gz CLRHSCPTYYGHBV-DLBZAZTESA-N 1 2 356.470 3.237 20 30 FGEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000589495090 506568036 /nfs/dbraw/zinc/56/80/36/506568036.db2.gz YFEDKORZEDPGKA-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599679464 506574159 /nfs/dbraw/zinc/57/41/59/506574159.db2.gz SUXWALAOXZKBMC-UHFFFAOYSA-N 1 2 369.490 3.262 20 30 FGEDLO CC(C)OC(=O)Cc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599679464 506574162 /nfs/dbraw/zinc/57/41/62/506574162.db2.gz SUXWALAOXZKBMC-UHFFFAOYSA-N 1 2 369.490 3.262 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686837 506580350 /nfs/dbraw/zinc/58/03/50/506580350.db2.gz ZWPIVYQGPBSSKA-UHFFFAOYSA-N 1 2 358.445 3.058 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686837 506580361 /nfs/dbraw/zinc/58/03/61/506580361.db2.gz ZWPIVYQGPBSSKA-UHFFFAOYSA-N 1 2 358.445 3.058 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)ccn1 ZINC000589542082 506581770 /nfs/dbraw/zinc/58/17/70/506581770.db2.gz WGDQKQMWSBBYIB-CQSZACIVSA-N 1 2 359.389 3.143 20 30 FGEDLO COc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(F)cc1C#N ZINC000599808679 506648353 /nfs/dbraw/zinc/64/83/53/506648353.db2.gz AHTMXTJJYJTSSA-HNNXBMFYSA-N 1 2 357.389 3.054 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909408 506654995 /nfs/dbraw/zinc/65/49/95/506654995.db2.gz VAUNMUOAQJSFFI-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOc2ccccc2C1 ZINC000603909408 506655002 /nfs/dbraw/zinc/65/50/02/506655002.db2.gz VAUNMUOAQJSFFI-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO CC[C@H](C)c1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000599826764 506660844 /nfs/dbraw/zinc/66/08/44/506660844.db2.gz WRGHFIFMSXSBPR-KRWDZBQOSA-N 1 2 358.486 3.280 20 30 FGEDLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583325809 506719168 /nfs/dbraw/zinc/71/91/68/506719168.db2.gz ZGUAYUYUKJOUTC-WMLDXEAASA-N 1 2 355.404 3.234 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609160979 506799636 /nfs/dbraw/zinc/79/96/36/506799636.db2.gz TTXBAEUPVCSDAF-UHFFFAOYSA-N 1 2 357.417 3.253 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc2ccccc21 ZINC000609167042 506801364 /nfs/dbraw/zinc/80/13/64/506801364.db2.gz LYSHBDFCLHXTPV-UHFFFAOYSA-N 1 2 373.391 3.420 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H](C)CC#N ZINC000597155700 506802957 /nfs/dbraw/zinc/80/29/57/506802957.db2.gz XCBDRCMMVCMKKS-KRWDZBQOSA-N 1 2 354.454 3.250 20 30 FGEDLO N#Cc1sccc1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000597182980 506820486 /nfs/dbraw/zinc/82/04/86/506820486.db2.gz HICJAZHYZQWRCZ-UHFFFAOYSA-N 1 2 357.870 3.243 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000609234434 506821936 /nfs/dbraw/zinc/82/19/36/506821936.db2.gz ZGBMJUPQIAIWII-GOSISDBHSA-N 1 2 353.422 3.170 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000609234434 506821943 /nfs/dbraw/zinc/82/19/43/506821943.db2.gz ZGBMJUPQIAIWII-GOSISDBHSA-N 1 2 353.422 3.170 20 30 FGEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000604484738 506845588 /nfs/dbraw/zinc/84/55/88/506845588.db2.gz NGKJOVRIBCQPGC-UHFFFAOYSA-N 1 2 361.405 3.237 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000609382596 506872362 /nfs/dbraw/zinc/87/23/62/506872362.db2.gz JHBJCWVCXNIBCG-CYBMUJFWSA-N 1 2 364.434 3.166 20 30 FGEDLO CC[C@@H](CC#N)[NH2+][C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000594011800 506881243 /nfs/dbraw/zinc/88/12/43/506881243.db2.gz USCDNASGBQMINH-PXNSSMCTSA-N 1 2 365.433 3.055 20 30 FGEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000590684648 506908756 /nfs/dbraw/zinc/90/87/56/506908756.db2.gz UFIQXXLKEHTGDI-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO C[C@@H]1Cc2ccccc2N1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671908 506969799 /nfs/dbraw/zinc/96/97/99/506969799.db2.gz ZXXKNCNMLYQVJC-ZHRRBRCNSA-N 1 2 374.488 3.000 20 30 FGEDLO C[C@@H]1Cc2ccccc2N1C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671907 506970153 /nfs/dbraw/zinc/97/01/53/506970153.db2.gz ZXXKNCNMLYQVJC-OPAMFIHVSA-N 1 2 374.488 3.000 20 30 FGEDLO N#C[C@@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCc2ccccc2C1 ZINC000597521892 506989825 /nfs/dbraw/zinc/98/98/25/506989825.db2.gz DESCKELCQSZAQE-NZQKXSOJSA-N 1 2 370.456 3.499 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)NC3(c4ccc(C#N)cc4)CCC3)cn21 ZINC000594220369 507020177 /nfs/dbraw/zinc/02/01/77/507020177.db2.gz UUQMSKPTSDVVFG-UHFFFAOYSA-N 1 2 359.433 3.393 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)NC3(c4ccc(C#N)cc4)CCC3)[nH+]c12 ZINC000594230301 507025778 /nfs/dbraw/zinc/02/57/78/507025778.db2.gz HHCWSRGEHDFULR-UHFFFAOYSA-N 1 2 373.460 3.436 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1C ZINC000594258994 507047421 /nfs/dbraw/zinc/04/74/21/507047421.db2.gz YOUATBPXAFYOII-AWEZNQCLSA-N 1 2 351.450 3.416 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000594336990 507082883 /nfs/dbraw/zinc/08/28/83/507082883.db2.gz BNQPMAWYMVCNJG-QAPCUYQASA-N 1 2 353.388 3.439 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000594336990 507082890 /nfs/dbraw/zinc/08/28/90/507082890.db2.gz BNQPMAWYMVCNJG-QAPCUYQASA-N 1 2 353.388 3.439 20 30 FGEDLO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000594467059 507144812 /nfs/dbraw/zinc/14/48/12/507144812.db2.gz FLKWIMVOMJSQMR-SNVBAGLBSA-N 1 2 360.639 3.158 20 30 FGEDLO C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610347253 507204153 /nfs/dbraw/zinc/20/41/53/507204153.db2.gz FURFHDRKYXHJKL-MRXNPFEDSA-N 1 2 359.433 3.363 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3CC#N)CC2)cc1 ZINC000600978913 507214941 /nfs/dbraw/zinc/21/49/41/507214941.db2.gz YPBUCKXYBMHBJD-UHFFFAOYSA-N 1 2 363.461 3.109 20 30 FGEDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000610389658 507221853 /nfs/dbraw/zinc/22/18/53/507221853.db2.gz AKFUQQBWVYBQGW-ZDUSSCGKSA-N 1 2 364.405 3.476 20 30 FGEDLO N#CCc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000601148805 507277923 /nfs/dbraw/zinc/27/79/23/507277923.db2.gz AOGANUJYUDPTKN-INIZCTEOSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CCc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000601148805 507277932 /nfs/dbraw/zinc/27/79/32/507277932.db2.gz AOGANUJYUDPTKN-INIZCTEOSA-N 1 2 369.415 3.425 20 30 FGEDLO N#CC1(c2ccc(C[NH2+]Cc3ncn(Cc4cccc(F)c4)n3)cc2)CC1 ZINC000594936823 507320844 /nfs/dbraw/zinc/32/08/44/507320844.db2.gz FFJHNPXPYUGHFD-UHFFFAOYSA-N 1 2 361.424 3.310 20 30 FGEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000591977370 507439250 /nfs/dbraw/zinc/43/92/50/507439250.db2.gz XINHCIFESGXPDQ-INIZCTEOSA-N 1 2 351.328 3.297 20 30 FGEDLO C=CCc1cc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc(OC)c1OC ZINC000606584222 507453635 /nfs/dbraw/zinc/45/36/35/507453635.db2.gz JACMDPCSYGMUNM-UHFFFAOYSA-N 1 2 366.421 3.402 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000595311667 507457981 /nfs/dbraw/zinc/45/79/81/507457981.db2.gz FFHGMOWCDDLXFA-UXHICEINSA-N 1 2 355.869 3.256 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000584722194 507470431 /nfs/dbraw/zinc/47/04/31/507470431.db2.gz JOXILJBKLASMDM-OAHLLOKOSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000584722194 507470437 /nfs/dbraw/zinc/47/04/37/507470437.db2.gz JOXILJBKLASMDM-OAHLLOKOSA-N 1 2 356.357 3.044 20 30 FGEDLO N#CC1(NC(=O)[C@H]2CCCCCC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000584755814 507485695 /nfs/dbraw/zinc/48/56/95/507485695.db2.gz JXRNWMKNGZCYPP-IBGZPJMESA-N 1 2 367.493 3.200 20 30 FGEDLO N#Cc1cnccc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000592120485 507490643 /nfs/dbraw/zinc/49/06/43/507490643.db2.gz CYKIXLGATGYUPW-OAHLLOKOSA-N 1 2 355.747 3.449 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000595438929 507498143 /nfs/dbraw/zinc/49/81/43/507498143.db2.gz KLTSDLSINQGXGC-QGZVFWFLSA-N 1 2 351.454 3.283 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149216 507510629 /nfs/dbraw/zinc/51/06/29/507510629.db2.gz KTNLSUSLRPBEOE-IIBYNOLFSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149216 507510634 /nfs/dbraw/zinc/51/06/34/507510634.db2.gz KTNLSUSLRPBEOE-IIBYNOLFSA-N 1 2 365.433 3.156 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520156 507541720 /nfs/dbraw/zinc/54/17/20/507541720.db2.gz YRGDPYYOJUVVAQ-CHWSQXEVSA-N 1 2 361.877 3.217 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520156 507541726 /nfs/dbraw/zinc/54/17/26/507541726.db2.gz YRGDPYYOJUVVAQ-CHWSQXEVSA-N 1 2 361.877 3.217 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602154882 507609032 /nfs/dbraw/zinc/60/90/32/507609032.db2.gz MRSMFSCCPFYGKM-CABCVRRESA-N 1 2 350.344 3.320 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000602165439 507611789 /nfs/dbraw/zinc/61/17/89/507611789.db2.gz FJZBRTDTGCUFOE-KKSFZXQISA-N 1 2 363.461 3.361 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000602165439 507611795 /nfs/dbraw/zinc/61/17/95/507611795.db2.gz FJZBRTDTGCUFOE-KKSFZXQISA-N 1 2 363.461 3.361 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000586825519 507685221 /nfs/dbraw/zinc/68/52/21/507685221.db2.gz NXVOGLJAORXPNJ-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838912 507708757 /nfs/dbraw/zinc/70/87/57/507708757.db2.gz DSVICKXTZXVEPG-WFASDCNBSA-N 1 2 373.678 3.078 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595838912 507708760 /nfs/dbraw/zinc/70/87/60/507708760.db2.gz DSVICKXTZXVEPG-WFASDCNBSA-N 1 2 373.678 3.078 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)n1 ZINC000602486440 507723758 /nfs/dbraw/zinc/72/37/58/507723758.db2.gz QXXWUNLCXKBLHL-SFHVURJKSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)n1 ZINC000602486440 507723764 /nfs/dbraw/zinc/72/37/64/507723764.db2.gz QXXWUNLCXKBLHL-SFHVURJKSA-N 1 2 360.417 3.094 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000611560544 507739852 /nfs/dbraw/zinc/73/98/52/507739852.db2.gz IMQIZOHHGAPJQH-SFHVURJKSA-N 1 2 365.368 3.218 20 30 FGEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2(Cc3ccccc3Cl)CC2)c1C#N ZINC000526276418 562268070 /nfs/dbraw/zinc/26/80/70/562268070.db2.gz NHRNWNJYJLBILV-UHFFFAOYSA-N 1 2 371.872 3.048 20 30 FGEDLO Cc1ccc2[nH+]cc(C=C3CCc4cc(-c5nn[nH]n5)ccc4C3=O)n2c1 ZINC000822280688 607368191 /nfs/dbraw/zinc/36/81/91/607368191.db2.gz WBRJOVGPOKMSBY-ZROIWOOFSA-N 1 2 356.389 3.035 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801878 606452369 /nfs/dbraw/zinc/45/23/69/606452369.db2.gz PYSPUIYSXIYHGT-HKUYNNGSSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801878 606452370 /nfs/dbraw/zinc/45/23/70/606452370.db2.gz PYSPUIYSXIYHGT-HKUYNNGSSA-N 1 2 362.412 3.278 20 30 FGEDLO Cc1csc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000088519872 700379363 /nfs/dbraw/zinc/37/93/63/700379363.db2.gz QDNQAZWUEIVEDL-UHFFFAOYSA-N 1 2 355.467 3.150 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)n2)C1 ZINC000328827614 713826295 /nfs/dbraw/zinc/82/62/95/713826295.db2.gz JPMMNLJGEIJZPQ-RDBSUJKOSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)n2)C1 ZINC000328827614 713826301 /nfs/dbraw/zinc/82/63/01/713826301.db2.gz JPMMNLJGEIJZPQ-RDBSUJKOSA-N 1 2 352.504 3.030 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000374782060 713943635 /nfs/dbraw/zinc/94/36/35/713943635.db2.gz UGDKWWKKMIOYGE-LJQANCHMSA-N 1 2 353.853 3.317 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000374782049 713943673 /nfs/dbraw/zinc/94/36/73/713943673.db2.gz UGDKWWKKMIOYGE-IBGZPJMESA-N 1 2 353.853 3.317 20 30 FGEDLO CCc1ccc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)s1 ZINC000523438451 714234529 /nfs/dbraw/zinc/23/45/29/714234529.db2.gz BGUHHOXELHTZNT-UHFFFAOYSA-N 1 2 355.507 3.379 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000524972308 714313349 /nfs/dbraw/zinc/31/33/49/714313349.db2.gz UETJCRZSRMQHBT-UHFFFAOYSA-N 1 2 366.527 3.282 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000524972308 714313351 /nfs/dbraw/zinc/31/33/51/714313351.db2.gz UETJCRZSRMQHBT-UHFFFAOYSA-N 1 2 366.527 3.282 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000525272382 714338478 /nfs/dbraw/zinc/33/84/78/714338478.db2.gz YAAFGWXCPOJCJF-QGZVFWFLSA-N 1 2 363.933 3.443 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000525272382 714338486 /nfs/dbraw/zinc/33/84/86/714338486.db2.gz YAAFGWXCPOJCJF-QGZVFWFLSA-N 1 2 363.933 3.443 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000779156057 724396281 /nfs/dbraw/zinc/39/62/81/724396281.db2.gz PHGQQAZSCRNZTG-UHFFFAOYSA-N 1 2 350.846 3.016 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000779156057 724396282 /nfs/dbraw/zinc/39/62/82/724396282.db2.gz PHGQQAZSCRNZTG-UHFFFAOYSA-N 1 2 350.846 3.016 20 30 FGEDLO C=CC[C@H]1CC[N@@H+](Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1 ZINC000625705030 715776777 /nfs/dbraw/zinc/77/67/77/715776777.db2.gz QNCOAAAGLDFGHH-INIZCTEOSA-N 1 2 356.495 3.175 20 30 FGEDLO C=CC[C@H]1CC[N@H+](Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)C1 ZINC000625705030 715776780 /nfs/dbraw/zinc/77/67/80/715776780.db2.gz QNCOAAAGLDFGHH-INIZCTEOSA-N 1 2 356.495 3.175 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256332 716130649 /nfs/dbraw/zinc/13/06/49/716130649.db2.gz RVRADYCMQCLIRA-KUHUBIRLSA-N 1 2 367.873 3.293 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256332 716130652 /nfs/dbraw/zinc/13/06/52/716130652.db2.gz RVRADYCMQCLIRA-KUHUBIRLSA-N 1 2 367.873 3.293 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2=O)cc1 ZINC000780793427 724501621 /nfs/dbraw/zinc/50/16/21/724501621.db2.gz NEWGCAWIAMEDMO-KRWDZBQOSA-N 1 2 355.825 3.202 20 30 FGEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nn1 ZINC000653759290 719086996 /nfs/dbraw/zinc/08/69/96/719086996.db2.gz HJKXFNYRCOWICJ-OAHLLOKOSA-N 1 2 358.408 3.035 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nn1 ZINC000653759290 719087000 /nfs/dbraw/zinc/08/70/00/719087000.db2.gz HJKXFNYRCOWICJ-OAHLLOKOSA-N 1 2 358.408 3.035 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000661151521 720198222 /nfs/dbraw/zinc/19/82/22/720198222.db2.gz CTUJAKBOUVUGLE-NSHDSACASA-N 1 2 361.243 3.134 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000661151521 720198223 /nfs/dbraw/zinc/19/82/23/720198223.db2.gz CTUJAKBOUVUGLE-NSHDSACASA-N 1 2 361.243 3.134 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662056593 720367684 /nfs/dbraw/zinc/36/76/84/720367684.db2.gz SRUOFFVQRHOCAQ-IUODEOHRSA-N 1 2 359.297 3.430 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782515073 724677297 /nfs/dbraw/zinc/67/72/97/724677297.db2.gz BPZDVVRUUZLNEA-ZFWWWQNUSA-N 1 2 361.795 3.291 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782515073 724677302 /nfs/dbraw/zinc/67/73/02/724677302.db2.gz BPZDVVRUUZLNEA-ZFWWWQNUSA-N 1 2 361.795 3.291 20 30 FGEDLO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000782949294 724711254 /nfs/dbraw/zinc/71/12/54/724711254.db2.gz SURATSCVNGAVQH-UHFFFAOYSA-N 1 2 368.162 3.334 20 30 FGEDLO O=C1c2cc3c(cc2OC/C1=C\c1cc(-n2cc[nH+]c2)cs1)OCO3 ZINC000783708513 724780266 /nfs/dbraw/zinc/78/02/66/724780266.db2.gz RPCBSFNTGBKBSV-QDEBKDIKSA-N 1 2 352.371 3.321 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674459104 721692729 /nfs/dbraw/zinc/69/27/29/721692729.db2.gz GUMXGGKZYKHEQO-SRVKXCTJSA-N 1 2 358.326 3.248 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000675037134 721725963 /nfs/dbraw/zinc/72/59/63/721725963.db2.gz ISEMPVIAPHTHBM-UHFFFAOYSA-N 1 2 369.303 3.314 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000675037134 721725967 /nfs/dbraw/zinc/72/59/67/721725967.db2.gz ISEMPVIAPHTHBM-UHFFFAOYSA-N 1 2 369.303 3.314 20 30 FGEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c3c(C)cc(Br)cn23)o1 ZINC000783832723 724794575 /nfs/dbraw/zinc/79/45/75/724794575.db2.gz TVEYSKSIQOCNRC-UHFFFAOYSA-N 1 2 359.187 3.019 20 30 FGEDLO COC(=O)c1ccccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000784058750 724817467 /nfs/dbraw/zinc/81/74/67/724817467.db2.gz NGSFEPHZACMJAH-UHFFFAOYSA-N 1 2 363.211 3.073 20 30 FGEDLO C#Cc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000726479357 722435287 /nfs/dbraw/zinc/43/52/87/722435287.db2.gz SWWGPUKEIJAKIV-UHFFFAOYSA-N 1 2 350.422 3.479 20 30 FGEDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccc(OCC#N)cc2)n1 ZINC000732063048 722481136 /nfs/dbraw/zinc/48/11/36/722481136.db2.gz ZNIIHMFFFKYYHT-UHFFFAOYSA-N 1 2 358.467 3.068 20 30 FGEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741244346 722543709 /nfs/dbraw/zinc/54/37/09/722543709.db2.gz UZXGZSXVMQNJEF-WFASDCNBSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741244346 722543710 /nfs/dbraw/zinc/54/37/10/722543710.db2.gz UZXGZSXVMQNJEF-WFASDCNBSA-N 1 2 362.886 3.370 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000747959407 722669308 /nfs/dbraw/zinc/66/93/08/722669308.db2.gz NVJILFBBTVRZMR-UHFFFAOYSA-N 1 2 354.475 3.039 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000747959407 722669309 /nfs/dbraw/zinc/66/93/09/722669309.db2.gz NVJILFBBTVRZMR-UHFFFAOYSA-N 1 2 354.475 3.039 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000755814795 722957307 /nfs/dbraw/zinc/95/73/07/722957307.db2.gz QGRBNLDOJRAXQI-CALCHBBNSA-N 1 2 356.861 3.028 20 30 FGEDLO COc1ccc([C@H]([NH2+]CC(=O)NCCC#N)c2ccccc2Cl)cc1 ZINC000759776479 723020575 /nfs/dbraw/zinc/02/05/75/723020575.db2.gz NSDUQNVCUZDSPR-IBGZPJMESA-N 1 2 357.841 3.057 20 30 FGEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792911127 723381097 /nfs/dbraw/zinc/38/10/97/723381097.db2.gz GFGLJMYFULTIBV-NSHDSACASA-N 1 2 355.232 3.043 20 30 FGEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792911127 723381106 /nfs/dbraw/zinc/38/11/06/723381106.db2.gz GFGLJMYFULTIBV-NSHDSACASA-N 1 2 355.232 3.043 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000793485070 723443268 /nfs/dbraw/zinc/44/32/68/723443268.db2.gz GFXJDUCHYCOMHL-INIZCTEOSA-N 1 2 359.882 3.177 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000793485070 723443271 /nfs/dbraw/zinc/44/32/71/723443271.db2.gz GFXJDUCHYCOMHL-INIZCTEOSA-N 1 2 359.882 3.177 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)s1 ZINC000794703704 723542004 /nfs/dbraw/zinc/54/20/04/723542004.db2.gz UWPOSPMJVXLMEA-HJWRWDBZSA-N 1 2 352.463 3.346 20 30 FGEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ncc(COC)s2)ccc1OC ZINC000771836676 723743295 /nfs/dbraw/zinc/74/32/95/723743295.db2.gz OJRKHIYJJPZVHW-AWEZNQCLSA-N 1 2 361.467 3.269 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667184 723812358 /nfs/dbraw/zinc/81/23/58/723812358.db2.gz NVSJWDKCKQRQPV-IFXJQAMLSA-N 1 2 360.889 3.267 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667184 723812362 /nfs/dbraw/zinc/81/23/62/723812362.db2.gz NVSJWDKCKQRQPV-IFXJQAMLSA-N 1 2 360.889 3.267 20 30 FGEDLO Cc1cc(Br)cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000774838334 723934844 /nfs/dbraw/zinc/93/48/44/723934844.db2.gz VWKGZEHVZHMAIA-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[NH+]1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2Br)CC1 ZINC000799725704 724088589 /nfs/dbraw/zinc/08/85/89/724088589.db2.gz JUAAQDJFVQNKQW-KBPBESRZSA-N 1 2 363.303 3.305 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000776091301 724109034 /nfs/dbraw/zinc/10/90/34/724109034.db2.gz KZQQWRUBKPPXEI-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1OCCOC ZINC000778158415 724304877 /nfs/dbraw/zinc/30/48/77/724304877.db2.gz MDOPODHOFCBQTJ-UHFFFAOYSA-N 1 2 360.841 3.062 20 30 FGEDLO C[NH+]1CCN(c2ccc(Nc3cccc(C#N)n3)cc2Br)CC1 ZINC000786828325 725002561 /nfs/dbraw/zinc/00/25/61/725002561.db2.gz UEPLSYOYZKQJRD-UHFFFAOYSA-N 1 2 372.270 3.211 20 30 FGEDLO CC1(C#N)CC[NH+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787230480 725021390 /nfs/dbraw/zinc/02/13/90/725021390.db2.gz VGEXCIYLEZNPIB-CYBMUJFWSA-N 1 2 351.372 3.003 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000789323797 725122176 /nfs/dbraw/zinc/12/21/76/725122176.db2.gz TUOVYMNZXLWTPI-UHFFFAOYSA-N 1 2 351.372 3.184 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000789323797 725122177 /nfs/dbraw/zinc/12/21/77/725122177.db2.gz TUOVYMNZXLWTPI-UHFFFAOYSA-N 1 2 351.372 3.184 20 30 FGEDLO COc1cc(C[NH2+]Cc2nc3ccccn3c2Br)ccc1C#N ZINC000811513777 725371780 /nfs/dbraw/zinc/37/17/80/725371780.db2.gz PXGJWEUAPDYJFD-UHFFFAOYSA-N 1 2 371.238 3.267 20 30 FGEDLO C#C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000811963335 725386145 /nfs/dbraw/zinc/38/61/45/725386145.db2.gz LASDZYTXHUKSRG-QZTJIDSGSA-N 1 2 355.825 3.272 20 30 FGEDLO COc1ccc(CC(C)=[NH+]n2cc(Br)cn2)c(C)c1OC ZINC000814884372 727008465 /nfs/dbraw/zinc/00/84/65/727008465.db2.gz IXTNQLMRRDUUDX-UHFFFAOYSA-N 1 2 352.232 3.438 20 30 FGEDLO Cn1ncc(C=[NH+]Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N ZINC000814948787 727014223 /nfs/dbraw/zinc/01/42/23/727014223.db2.gz FSBFMCRHAYKQBD-UHFFFAOYSA-N 1 2 351.254 3.486 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1nc(C#N)cs1)CC2 ZINC000816622204 727181522 /nfs/dbraw/zinc/18/15/22/727181522.db2.gz ZCLXMXBIYBYVMS-UHFFFAOYSA-N 1 2 362.499 3.238 20 30 FGEDLO COc1ccc(C[NH2+]Cc2nc(C)c(Br)s2)cc1C#N ZINC000824591956 729349447 /nfs/dbraw/zinc/34/94/47/729349447.db2.gz WVJMLGMSPNMICF-UHFFFAOYSA-N 1 2 352.257 3.384 20 30 FGEDLO CCCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000846228317 730938056 /nfs/dbraw/zinc/93/80/56/730938056.db2.gz MDRZXCPPDLNIQZ-SFHVURJKSA-N 1 2 353.532 3.108 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1cc2c(cc1Br)OCCCO2 ZINC000852751122 731629829 /nfs/dbraw/zinc/62/98/29/731629829.db2.gz PREKAICMJDHONJ-UHFFFAOYSA-N 1 2 368.271 3.082 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1cc2c(cc1Br)OCCCO2 ZINC000852751122 731629832 /nfs/dbraw/zinc/62/98/32/731629832.db2.gz PREKAICMJDHONJ-UHFFFAOYSA-N 1 2 368.271 3.082 20 30 FGEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cncs2)cc1 ZINC000853689214 731742191 /nfs/dbraw/zinc/74/21/91/731742191.db2.gz PFRNJTYELQVMTE-UHFFFAOYSA-N 1 2 362.455 3.005 20 30 FGEDLO N#CCCNC(=O)C[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068058 732445239 /nfs/dbraw/zinc/44/52/39/732445239.db2.gz SJOJHCOOSBJVQX-UHFFFAOYSA-N 1 2 352.463 3.261 20 30 FGEDLO N#CCCNC(=O)C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068058 732445241 /nfs/dbraw/zinc/44/52/41/732445241.db2.gz SJOJHCOOSBJVQX-UHFFFAOYSA-N 1 2 352.463 3.261 20 30 FGEDLO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000866535437 733362296 /nfs/dbraw/zinc/36/22/96/733362296.db2.gz DFHKKXAWKVHJPJ-ZIAGYGMSSA-N 1 2 358.463 3.122 20 30 FGEDLO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876582910 736116714 /nfs/dbraw/zinc/11/67/14/736116714.db2.gz ARIIIUPVKLOIGX-UHFFFAOYSA-N 1 2 364.877 3.343 20 30 FGEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)C1 ZINC000876615052 736121786 /nfs/dbraw/zinc/12/17/86/736121786.db2.gz ZFBAEKJFCFGYOK-CQSZACIVSA-N 1 2 360.889 3.077 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000880478801 737179640 /nfs/dbraw/zinc/17/96/40/737179640.db2.gz GGNOUOWHWNGRSW-CQSZACIVSA-N 1 2 359.857 3.225 20 30 FGEDLO C=CCC1(O)CC[NH+](Cn2c3c(sc2=O)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000884478429 737666924 /nfs/dbraw/zinc/66/69/24/737666924.db2.gz AZDZHHJAWNMYQJ-HNNXBMFYSA-N 1 2 364.555 3.421 20 30 FGEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888408550 739517647 /nfs/dbraw/zinc/51/76/47/739517647.db2.gz WDMBDISMQDCPLZ-SNVBAGLBSA-N 1 2 352.851 3.101 20 30 FGEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CSCC2 ZINC000894084799 742236240 /nfs/dbraw/zinc/23/62/40/742236240.db2.gz MELRFQAYDQKDAD-QFBILLFUSA-N 1 2 352.507 3.481 20 30 FGEDLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CSCC2 ZINC000894084799 742236245 /nfs/dbraw/zinc/23/62/45/742236245.db2.gz MELRFQAYDQKDAD-QFBILLFUSA-N 1 2 352.507 3.481 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000894869851 742344638 /nfs/dbraw/zinc/34/46/38/742344638.db2.gz FSBGXGFJONRKJB-QGZVFWFLSA-N 1 2 371.282 3.303 20 30 FGEDLO COc1cccc(-c2csc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)n2)c1 ZINC000901205718 743237014 /nfs/dbraw/zinc/23/70/14/743237014.db2.gz GCBIBSAMUIIGSP-GJZGRUSLSA-N 1 2 355.467 3.013 20 30 FGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000901478610 743287610 /nfs/dbraw/zinc/28/76/10/743287610.db2.gz WJSKGABBIHTXOT-VMPITWQZSA-N 1 2 372.368 3.135 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000917012455 758164546 /nfs/dbraw/zinc/16/45/46/758164546.db2.gz GSXCNEYBUQVACA-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc(C#N)c1O ZINC000925059498 759440818 /nfs/dbraw/zinc/44/08/18/759440818.db2.gz FDAFWZBIIYXTPL-QGZVFWFLSA-N 1 2 357.841 3.388 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073957 761044861 /nfs/dbraw/zinc/04/48/61/761044861.db2.gz ZPOIWYKBTPZTRX-HOTGVXAUSA-N 1 2 356.413 3.407 20 30 FGEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCS[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000932073957 761044875 /nfs/dbraw/zinc/04/48/75/761044875.db2.gz ZPOIWYKBTPZTRX-HOTGVXAUSA-N 1 2 356.413 3.407 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932824391 761254630 /nfs/dbraw/zinc/25/46/30/761254630.db2.gz CAUQHAZSGRBPBW-UHFFFAOYSA-N 1 2 362.779 3.379 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129551 761325006 /nfs/dbraw/zinc/32/50/06/761325006.db2.gz KUFJDOSZLIQMAU-CRAIPNDOSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129551 761325017 /nfs/dbraw/zinc/32/50/17/761325017.db2.gz KUFJDOSZLIQMAU-CRAIPNDOSA-N 1 2 355.463 3.102 20 30 FGEDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933652038 761446487 /nfs/dbraw/zinc/44/64/87/761446487.db2.gz DFUKCVIQVCEFTH-AWEZNQCLSA-N 1 2 360.479 3.073 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775911 761472238 /nfs/dbraw/zinc/47/22/38/761472238.db2.gz OPNPTNBKTLIZBZ-CXAGYDPISA-N 1 2 355.463 3.080 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775911 761472242 /nfs/dbraw/zinc/47/22/42/761472242.db2.gz OPNPTNBKTLIZBZ-CXAGYDPISA-N 1 2 355.463 3.080 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067319 762853463 /nfs/dbraw/zinc/85/34/63/762853463.db2.gz NPCGJQJRMWEYRC-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067319 762853471 /nfs/dbraw/zinc/85/34/71/762853471.db2.gz NPCGJQJRMWEYRC-HRCADAONSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000981993025 763544145 /nfs/dbraw/zinc/54/41/45/763544145.db2.gz VMOVDYORMFYDEE-AEFFLSMTSA-N 1 2 366.864 3.105 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000981993025 763544156 /nfs/dbraw/zinc/54/41/56/763544156.db2.gz VMOVDYORMFYDEE-AEFFLSMTSA-N 1 2 366.864 3.105 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000989701595 764473093 /nfs/dbraw/zinc/47/30/93/764473093.db2.gz HAFGSRATHLUEGK-LSDHHAIUSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000989701595 764473101 /nfs/dbraw/zinc/47/31/01/764473101.db2.gz HAFGSRATHLUEGK-LSDHHAIUSA-N 1 2 354.828 3.355 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001007360166 765588243 /nfs/dbraw/zinc/58/82/43/765588243.db2.gz MWAKTDCHHGHVEX-GUDVDZBRSA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001007360166 765588247 /nfs/dbraw/zinc/58/82/47/765588247.db2.gz MWAKTDCHHGHVEX-GUDVDZBRSA-N 1 2 362.901 3.140 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001027611227 766101052 /nfs/dbraw/zinc/10/10/52/766101052.db2.gz RZRLHLYZIGXBFQ-OWCLPIDISA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001027611227 766101060 /nfs/dbraw/zinc/10/10/60/766101060.db2.gz RZRLHLYZIGXBFQ-OWCLPIDISA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001027970265 766108086 /nfs/dbraw/zinc/10/80/86/766108086.db2.gz JZDOHZBAQFYKHZ-MGPQQGTHSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001027970265 766108089 /nfs/dbraw/zinc/10/80/89/766108089.db2.gz JZDOHZBAQFYKHZ-MGPQQGTHSA-N 1 2 350.812 3.464 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001031679480 766182751 /nfs/dbraw/zinc/18/27/51/766182751.db2.gz CDHLVUMTBKSHKU-WBVHZDCISA-N 1 2 366.864 3.008 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001033432079 766215150 /nfs/dbraw/zinc/21/51/50/766215150.db2.gz LGMKGSUBHVJYNO-LBTNJELSSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001033432079 766215153 /nfs/dbraw/zinc/21/51/53/766215153.db2.gz LGMKGSUBHVJYNO-LBTNJELSSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001034212791 766233396 /nfs/dbraw/zinc/23/33/96/766233396.db2.gz MWYPOGJJRRDZKL-NWJGJRDGSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001034212791 766233398 /nfs/dbraw/zinc/23/33/98/766233398.db2.gz MWYPOGJJRRDZKL-NWJGJRDGSA-N 1 2 361.313 3.257 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000021674463 211320073 /nfs/dbraw/zinc/32/00/73/211320073.db2.gz PXMMRKYUDUJUAC-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000302115523 257384213 /nfs/dbraw/zinc/38/42/13/257384213.db2.gz RJVRZYNXBCKGDV-GJZGRUSLSA-N 1 2 364.449 3.382 20 30 FGEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000573737469 505607978 /nfs/dbraw/zinc/60/79/78/505607978.db2.gz QJSPMYXNSPDIBP-VAMGGRTRSA-N 1 2 373.460 3.175 20 30 FGEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000571010624 505632142 /nfs/dbraw/zinc/63/21/42/505632142.db2.gz BTBIUUCLOVMGTI-UHFFFAOYSA-N 1 2 350.353 3.153 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000571049243 505641752 /nfs/dbraw/zinc/64/17/52/505641752.db2.gz GMBSDXOVVWEAMC-INIZCTEOSA-N 1 2 351.237 3.115 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000568259079 505653823 /nfs/dbraw/zinc/65/38/23/505653823.db2.gz IKWUKVJQWGAJCX-SCTDSRPQSA-N 1 2 351.454 3.233 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147942 493792677 /nfs/dbraw/zinc/79/26/77/493792677.db2.gz SFDHQYPVFHHVLX-UHFFFAOYSA-N 1 2 364.449 3.054 20 30 FGEDLO N#CCOc1ccc(/C=C/C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000068420965 493816045 /nfs/dbraw/zinc/81/60/45/493816045.db2.gz VZSQNJLZPUHKNA-DHZHZOJOSA-N 1 2 350.422 3.006 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154401 493832994 /nfs/dbraw/zinc/83/29/94/493832994.db2.gz GNRUWOGSXZKBJJ-FGZHOGPDSA-N 1 2 359.473 3.343 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154401 493832999 /nfs/dbraw/zinc/83/29/99/493832999.db2.gz GNRUWOGSXZKBJJ-FGZHOGPDSA-N 1 2 359.473 3.343 20 30 FGEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cc1 ZINC000058372276 493848067 /nfs/dbraw/zinc/84/80/67/493848067.db2.gz AZEHLHUKYHQTPN-QGZVFWFLSA-N 1 2 363.527 3.200 20 30 FGEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857836 493862815 /nfs/dbraw/zinc/86/28/15/493862815.db2.gz CFPPKIGYKPPDSJ-QGZVFWFLSA-N 1 2 374.504 3.150 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068885370 493889420 /nfs/dbraw/zinc/88/94/20/493889420.db2.gz YKSWQCQNLFKRJX-UHFFFAOYSA-N 1 2 360.461 3.272 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081549042 493913887 /nfs/dbraw/zinc/91/38/87/493913887.db2.gz CCNAFSJZLYCTSN-AWEZNQCLSA-N 1 2 356.857 3.069 20 30 FGEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000060483323 493938442 /nfs/dbraw/zinc/93/84/42/493938442.db2.gz ODMSMDVIZDZLPM-HXUWFJFHSA-N 1 2 373.884 3.043 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000060633789 493949602 /nfs/dbraw/zinc/94/96/02/493949602.db2.gz QVHCYDUQRVNXSF-UHFFFAOYSA-N 1 2 363.461 3.042 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000076758640 493966197 /nfs/dbraw/zinc/96/61/97/493966197.db2.gz COYCOLVTJSVFSP-GOSISDBHSA-N 1 2 366.465 3.464 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000076758640 493966200 /nfs/dbraw/zinc/96/62/00/493966200.db2.gz COYCOLVTJSVFSP-GOSISDBHSA-N 1 2 366.465 3.464 20 30 FGEDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000083169681 494001840 /nfs/dbraw/zinc/00/18/40/494001840.db2.gz FHXCZNVABYIVRX-UHFFFAOYSA-N 1 2 366.377 3.256 20 30 FGEDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C#N)cc1 ZINC000083169681 494001844 /nfs/dbraw/zinc/00/18/44/494001844.db2.gz FHXCZNVABYIVRX-UHFFFAOYSA-N 1 2 366.377 3.256 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000083188286 494005936 /nfs/dbraw/zinc/00/59/36/494005936.db2.gz FKLHZZRLIOBHGH-IBGZPJMESA-N 1 2 356.397 3.312 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000083188286 494005938 /nfs/dbraw/zinc/00/59/38/494005938.db2.gz FKLHZZRLIOBHGH-IBGZPJMESA-N 1 2 356.397 3.312 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3snc(Cl)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000052219364 494013112 /nfs/dbraw/zinc/01/31/12/494013112.db2.gz FDCJHBBBCGHHKP-GHMZBOCLSA-N 1 2 363.874 3.289 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000062897661 494024001 /nfs/dbraw/zinc/02/40/01/494024001.db2.gz CSHFCQYAMKPYHY-UHFFFAOYSA-N 1 2 364.405 3.468 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000077190776 494029470 /nfs/dbraw/zinc/02/94/70/494029470.db2.gz MPXZPWKSUBUNBG-OKILXGFUSA-N 1 2 360.421 3.254 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300787 494042312 /nfs/dbraw/zinc/04/23/12/494042312.db2.gz ZZOOSVYVYRDKJM-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300787 494042317 /nfs/dbraw/zinc/04/23/17/494042317.db2.gz ZZOOSVYVYRDKJM-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084131523 494049391 /nfs/dbraw/zinc/04/93/91/494049391.db2.gz IAGZXKRFBHAAHO-LJQANCHMSA-N 1 2 352.482 3.394 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000084131523 494049394 /nfs/dbraw/zinc/04/93/94/494049394.db2.gz IAGZXKRFBHAAHO-LJQANCHMSA-N 1 2 352.482 3.394 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000577288901 505701556 /nfs/dbraw/zinc/70/15/56/505701556.db2.gz JWZBXPUXMWPDPI-SZMVWBNQSA-N 1 2 364.449 3.260 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000053944578 494176464 /nfs/dbraw/zinc/17/64/64/494176464.db2.gz YIAZLFWSKMHMCN-UHFFFAOYSA-N 1 2 363.505 3.419 20 30 FGEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077966261 494207160 /nfs/dbraw/zinc/20/71/60/494207160.db2.gz NEINDQOCDGWKJS-UHFFFAOYSA-N 1 2 352.419 3.068 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000054537523 494244091 /nfs/dbraw/zinc/24/40/91/494244091.db2.gz MDBFXJYEDGRGOJ-UHFFFAOYSA-N 1 2 363.421 3.357 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccccc2F)no1 ZINC000571322548 505706251 /nfs/dbraw/zinc/70/62/51/505706251.db2.gz MUDUXTCPWMQLMH-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccccc2F)no1 ZINC000571322548 505706255 /nfs/dbraw/zinc/70/62/55/505706255.db2.gz MUDUXTCPWMQLMH-UHFFFAOYSA-N 1 2 366.396 3.396 20 30 FGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000072898091 494278789 /nfs/dbraw/zinc/27/87/89/494278789.db2.gz JCAMBHAMJYSJQJ-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n2c1 ZINC000072898091 494278793 /nfs/dbraw/zinc/27/87/93/494278793.db2.gz JCAMBHAMJYSJQJ-VQTJNVASSA-N 1 2 358.445 3.275 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000014405663 494318078 /nfs/dbraw/zinc/31/80/78/494318078.db2.gz IRRZYQJIFFIQNC-FQEVSTJZSA-N 1 2 362.408 3.269 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000073108542 494322797 /nfs/dbraw/zinc/32/27/97/494322797.db2.gz MTHKNSZQYMGFDC-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1 ZINC000073630582 494404559 /nfs/dbraw/zinc/40/45/59/494404559.db2.gz WDNOZPAZTMLUBZ-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066919799 494437428 /nfs/dbraw/zinc/43/74/28/494437428.db2.gz HMRNBRADXQMNKR-QKLQHJQFSA-N 1 2 373.497 3.441 20 30 FGEDLO CC(C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066919799 494437430 /nfs/dbraw/zinc/43/74/30/494437430.db2.gz HMRNBRADXQMNKR-QKLQHJQFSA-N 1 2 373.497 3.441 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccccc1F ZINC000056312397 494484885 /nfs/dbraw/zinc/48/48/85/494484885.db2.gz RAEIPNLGFVVWFR-UHFFFAOYSA-N 1 2 372.440 3.147 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccccc1F ZINC000056312397 494484887 /nfs/dbraw/zinc/48/48/87/494484887.db2.gz RAEIPNLGFVVWFR-UHFFFAOYSA-N 1 2 372.440 3.147 20 30 FGEDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056444037 494506688 /nfs/dbraw/zinc/50/66/88/494506688.db2.gz XBYCNZFHNHZDEF-GOSISDBHSA-N 1 2 362.477 3.455 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C#N)c1 ZINC000046517909 494535141 /nfs/dbraw/zinc/53/51/41/494535141.db2.gz YVIZRSAJTZKXGC-UHFFFAOYSA-N 1 2 350.447 3.244 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C#N)c1 ZINC000046517909 494535144 /nfs/dbraw/zinc/53/51/44/494535144.db2.gz YVIZRSAJTZKXGC-UHFFFAOYSA-N 1 2 350.447 3.244 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)c1 ZINC000022845818 494537974 /nfs/dbraw/zinc/53/79/74/494537974.db2.gz HMNWKSZMBIMHQW-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000056968209 494608360 /nfs/dbraw/zinc/60/83/60/494608360.db2.gz UYMHXELJQDSKKB-UHFFFAOYSA-N 1 2 360.417 3.154 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000126128137 494645971 /nfs/dbraw/zinc/64/59/71/494645971.db2.gz PURNILPUDPNBJB-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000126128137 494645977 /nfs/dbraw/zinc/64/59/77/494645977.db2.gz PURNILPUDPNBJB-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000091936588 494728329 /nfs/dbraw/zinc/72/83/29/494728329.db2.gz QIQOKFPVLADMPM-AWEZNQCLSA-N 1 2 368.510 3.173 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000091936588 494728338 /nfs/dbraw/zinc/72/83/38/494728338.db2.gz QIQOKFPVLADMPM-AWEZNQCLSA-N 1 2 368.510 3.173 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000057476706 494760171 /nfs/dbraw/zinc/76/01/71/494760171.db2.gz GWSFRVIGONOWAJ-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000057476706 494760179 /nfs/dbraw/zinc/76/01/79/494760179.db2.gz GWSFRVIGONOWAJ-UHFFFAOYSA-N 1 2 367.449 3.082 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000577497430 505740864 /nfs/dbraw/zinc/74/08/64/505740864.db2.gz YSSWUDQLLIANRG-SFHVURJKSA-N 1 2 358.829 3.101 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532290 494786765 /nfs/dbraw/zinc/78/67/65/494786765.db2.gz QOKLQCLZHYLYST-AEFFLSMTSA-N 1 2 352.438 3.091 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000026322982 494817458 /nfs/dbraw/zinc/81/74/58/494817458.db2.gz BDFBMEZBYLLOLP-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000026322982 494817467 /nfs/dbraw/zinc/81/74/67/494817467.db2.gz BDFBMEZBYLLOLP-CYBMUJFWSA-N 1 2 371.437 3.244 20 30 FGEDLO COCC[N@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000093100164 494826350 /nfs/dbraw/zinc/82/63/50/494826350.db2.gz BIEJXLPATJAYAZ-UHFFFAOYSA-N 1 2 351.244 3.087 20 30 FGEDLO COCC[N@@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000093100164 494826357 /nfs/dbraw/zinc/82/63/57/494826357.db2.gz BIEJXLPATJAYAZ-UHFFFAOYSA-N 1 2 351.244 3.087 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093385013 494882415 /nfs/dbraw/zinc/88/24/15/494882415.db2.gz IPKSMTXJZLKIRX-MRXNPFEDSA-N 1 2 372.490 3.002 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093385013 494882418 /nfs/dbraw/zinc/88/24/18/494882418.db2.gz IPKSMTXJZLKIRX-MRXNPFEDSA-N 1 2 372.490 3.002 20 30 FGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000027738661 494883138 /nfs/dbraw/zinc/88/31/38/494883138.db2.gz KJEBDEDKKRMLAN-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000027738661 494883141 /nfs/dbraw/zinc/88/31/41/494883141.db2.gz KJEBDEDKKRMLAN-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCSCC#N ZINC000122268653 494950090 /nfs/dbraw/zinc/95/00/90/494950090.db2.gz DLLBLYCOHFSDCZ-CQSZACIVSA-N 1 2 371.300 3.242 20 30 FGEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCSCC#N ZINC000122268653 494950094 /nfs/dbraw/zinc/95/00/94/494950094.db2.gz DLLBLYCOHFSDCZ-CQSZACIVSA-N 1 2 371.300 3.242 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)CCCCOc3cccc(C#N)c3)sc2C1 ZINC000110641547 494997389 /nfs/dbraw/zinc/99/73/89/494997389.db2.gz BAMJLTKLXUKYCS-UHFFFAOYSA-N 1 2 370.478 3.190 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)CCCCOc3cccc(C#N)c3)sc2C1 ZINC000110641547 494997394 /nfs/dbraw/zinc/99/73/94/494997394.db2.gz BAMJLTKLXUKYCS-UHFFFAOYSA-N 1 2 370.478 3.190 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000122670146 495013075 /nfs/dbraw/zinc/01/30/75/495013075.db2.gz GTIIGXADWLEERA-RTBURBONSA-N 1 2 354.454 3.004 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110980393 495028252 /nfs/dbraw/zinc/02/82/52/495028252.db2.gz WSYNSUPMJBGRNZ-INIZCTEOSA-N 1 2 355.388 3.231 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110980393 495028254 /nfs/dbraw/zinc/02/82/54/495028254.db2.gz WSYNSUPMJBGRNZ-INIZCTEOSA-N 1 2 355.388 3.231 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111735805 495104246 /nfs/dbraw/zinc/10/42/46/495104246.db2.gz KVQQXHWOYCQMNS-UHFFFAOYSA-N 1 2 353.426 3.411 20 30 FGEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)CC1 ZINC000111809211 495114648 /nfs/dbraw/zinc/11/46/48/495114648.db2.gz NEBKWBLGDKMIAJ-GOSISDBHSA-N 1 2 354.454 3.126 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128658252 495131859 /nfs/dbraw/zinc/13/18/59/495131859.db2.gz AIGXPJKFQQSMCD-VCBZYWHSSA-N 1 2 363.889 3.236 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128658252 495131860 /nfs/dbraw/zinc/13/18/60/495131860.db2.gz AIGXPJKFQQSMCD-VCBZYWHSSA-N 1 2 363.889 3.236 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119287830 495134548 /nfs/dbraw/zinc/13/45/48/495134548.db2.gz DANQVSFBGVKPSL-QGZVFWFLSA-N 1 2 352.438 3.437 20 30 FGEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000119461948 495171742 /nfs/dbraw/zinc/17/17/42/495171742.db2.gz JWLBPKHLLAEECO-XCLFUZPHSA-N 1 2 367.424 3.363 20 30 FGEDLO Cc1cc(N2CCN(Cc3ccc(F)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000103139292 495197666 /nfs/dbraw/zinc/19/76/66/495197666.db2.gz VFPGVPWZQRXAAQ-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129196685 495209550 /nfs/dbraw/zinc/20/95/50/495209550.db2.gz HULDOXGRGMTBSF-HNNXBMFYSA-N 1 2 357.479 3.227 20 30 FGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000129230058 495214615 /nfs/dbraw/zinc/21/46/15/495214615.db2.gz KJKZSQGNPUPBGJ-INIZCTEOSA-N 1 2 369.490 3.098 20 30 FGEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136964662 495413725 /nfs/dbraw/zinc/41/37/25/495413725.db2.gz VPKAFZVZYUWQPF-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136964662 495413729 /nfs/dbraw/zinc/41/37/29/495413729.db2.gz VPKAFZVZYUWQPF-AWEZNQCLSA-N 1 2 364.268 3.041 20 30 FGEDLO C=CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000130975279 495473953 /nfs/dbraw/zinc/47/39/53/495473953.db2.gz SZQOEFBTUXNGNF-NHCUHLMSSA-N 1 2 370.541 3.115 20 30 FGEDLO C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000125798311 495500325 /nfs/dbraw/zinc/50/03/25/495500325.db2.gz RZMKMBYZWGSACS-FXAWDEMLSA-N 1 2 366.465 3.414 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344223 495551797 /nfs/dbraw/zinc/55/17/97/495551797.db2.gz QTYDWGFVYKICQI-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179344223 495551800 /nfs/dbraw/zinc/55/18/00/495551800.db2.gz QTYDWGFVYKICQI-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1Cl ZINC000154245127 495555195 /nfs/dbraw/zinc/55/51/95/495555195.db2.gz LURGJXIDRKCVGW-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cn1cc[nH+]c1 ZINC000176396852 495637267 /nfs/dbraw/zinc/63/72/67/495637267.db2.gz ZKNLLLVWWNSKCU-QGZVFWFLSA-N 1 2 374.444 3.400 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185627171 495651732 /nfs/dbraw/zinc/65/17/32/495651732.db2.gz FDNIGSGNOHZUNS-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000185627171 495651737 /nfs/dbraw/zinc/65/17/37/495651737.db2.gz FDNIGSGNOHZUNS-ICSRJNTNSA-N 1 2 372.852 3.025 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000577809806 505795386 /nfs/dbraw/zinc/79/53/86/505795386.db2.gz KVWFTJNSOUYITL-UHFFFAOYSA-N 1 2 351.454 3.249 20 30 FGEDLO COc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000182708331 495671285 /nfs/dbraw/zinc/67/12/85/495671285.db2.gz OJYHHFMETKHGRJ-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO COc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000182708331 495671290 /nfs/dbraw/zinc/67/12/90/495671290.db2.gz OJYHHFMETKHGRJ-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000182731822 495680923 /nfs/dbraw/zinc/68/09/23/495680923.db2.gz DFPQQQYPGOHMNW-CJNGLKHVSA-N 1 2 367.453 3.085 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccccc2)cs1 ZINC000154753900 495716894 /nfs/dbraw/zinc/71/68/94/495716894.db2.gz KBKCDAPRSSPTSF-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cc(-c2ccccc2)cs1 ZINC000154753900 495716900 /nfs/dbraw/zinc/71/69/00/495716900.db2.gz KBKCDAPRSSPTSF-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cc(-c2ccccc2)cs1 ZINC000154753900 495716903 /nfs/dbraw/zinc/71/69/03/495716903.db2.gz KBKCDAPRSSPTSF-UHFFFAOYSA-N 1 2 355.507 3.463 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000185808769 495733079 /nfs/dbraw/zinc/73/30/79/495733079.db2.gz FNVWOHBXSBNFPT-UHFFFAOYSA-N 1 2 361.873 3.174 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000185808769 495733082 /nfs/dbraw/zinc/73/30/82/495733082.db2.gz FNVWOHBXSBNFPT-UHFFFAOYSA-N 1 2 361.873 3.174 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000185819190 495736130 /nfs/dbraw/zinc/73/61/30/495736130.db2.gz HCFJRDAMTWRFGT-UHFFFAOYSA-N 1 2 359.495 3.106 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000185819190 495736133 /nfs/dbraw/zinc/73/61/33/495736133.db2.gz HCFJRDAMTWRFGT-UHFFFAOYSA-N 1 2 359.495 3.106 20 30 FGEDLO C=CCC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000577857364 505806271 /nfs/dbraw/zinc/80/62/71/505806271.db2.gz BUYOKOSVWVWUOI-GOSISDBHSA-N 1 2 369.465 3.267 20 30 FGEDLO C=CCC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCOCC1 ZINC000577857364 505806274 /nfs/dbraw/zinc/80/62/74/505806274.db2.gz BUYOKOSVWVWUOI-GOSISDBHSA-N 1 2 369.465 3.267 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039548 495832490 /nfs/dbraw/zinc/83/24/90/495832490.db2.gz BCSGGQRWCMBXNY-WMZOPIPTSA-N 1 2 374.847 3.255 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039548 495832496 /nfs/dbraw/zinc/83/24/96/495832496.db2.gz BCSGGQRWCMBXNY-WMZOPIPTSA-N 1 2 374.847 3.255 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000177025576 495889150 /nfs/dbraw/zinc/88/91/50/495889150.db2.gz FNLZBAKRFYGKLY-NRFANRHFSA-N 1 2 363.461 3.373 20 30 FGEDLO O=C(C[NH+]1Cc2ccccc2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000155473969 495967470 /nfs/dbraw/zinc/96/74/70/495967470.db2.gz HKPWDSJULFMMEZ-UHFFFAOYSA-N 1 2 358.363 3.189 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1OC ZINC000186424201 495993846 /nfs/dbraw/zinc/99/38/46/495993846.db2.gz SBUKFJPWIGPOHA-UHFFFAOYSA-N 1 2 367.449 3.008 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160610252 496002818 /nfs/dbraw/zinc/00/28/18/496002818.db2.gz ILNMHXDYFFQNIQ-PKOBYXMFSA-N 1 2 365.481 3.429 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000180538628 496036656 /nfs/dbraw/zinc/03/66/56/496036656.db2.gz YDYPTIDVYJCWJB-ULQDDVLXSA-N 1 2 360.502 3.239 20 30 FGEDLO N#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc(Br)c1 ZINC000171923506 496093952 /nfs/dbraw/zinc/09/39/52/496093952.db2.gz SYOIUIFSMRBTCY-AWEZNQCLSA-N 1 2 355.195 3.091 20 30 FGEDLO CC[C@@H](CC#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000183858631 496139781 /nfs/dbraw/zinc/13/97/81/496139781.db2.gz VHLLSMPVENYOJE-HOTGVXAUSA-N 1 2 364.287 3.394 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000177641332 496142576 /nfs/dbraw/zinc/14/25/76/496142576.db2.gz XDAVLDFZACGVFY-MRXNPFEDSA-N 1 2 351.425 3.411 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000156050161 496144373 /nfs/dbraw/zinc/14/43/73/496144373.db2.gz IZDNASLNFFEXRH-UHFFFAOYSA-N 1 2 350.437 3.334 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000156050161 496144378 /nfs/dbraw/zinc/14/43/78/496144378.db2.gz IZDNASLNFFEXRH-UHFFFAOYSA-N 1 2 350.437 3.334 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000174906574 496158321 /nfs/dbraw/zinc/15/83/21/496158321.db2.gz FIHHXOMTHSGUQW-LJQANCHMSA-N 1 2 370.497 3.206 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)C(F)(F)F ZINC000568998324 505827203 /nfs/dbraw/zinc/82/72/03/505827203.db2.gz UFCLDPLPFNNEBJ-BBRMVZONSA-N 1 2 356.392 3.435 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719813 496171287 /nfs/dbraw/zinc/17/12/87/496171287.db2.gz NHYUFHMNMDMDEI-OAQYLSRUSA-N 1 2 351.450 3.359 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719813 496171290 /nfs/dbraw/zinc/17/12/90/496171290.db2.gz NHYUFHMNMDMDEI-OAQYLSRUSA-N 1 2 351.450 3.359 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180875327 496180852 /nfs/dbraw/zinc/18/08/52/496180852.db2.gz WQYDPYVIVUTZGD-UHFFFAOYSA-N 1 2 374.535 3.300 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180875327 496180856 /nfs/dbraw/zinc/18/08/56/496180856.db2.gz WQYDPYVIVUTZGD-UHFFFAOYSA-N 1 2 374.535 3.300 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000184012487 496200467 /nfs/dbraw/zinc/20/04/67/496200467.db2.gz RKYTYVBYOHUVPV-MRXNPFEDSA-N 1 2 354.479 3.159 20 30 FGEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000184012487 496200472 /nfs/dbraw/zinc/20/04/72/496200472.db2.gz RKYTYVBYOHUVPV-MRXNPFEDSA-N 1 2 354.479 3.159 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000161644935 496214015 /nfs/dbraw/zinc/21/40/15/496214015.db2.gz GJWSPDHBNRCTRY-FQEVSTJZSA-N 1 2 365.477 3.476 20 30 FGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000156511080 496265669 /nfs/dbraw/zinc/26/56/69/496265669.db2.gz VDPKHISTVSCXDJ-UHFFFAOYSA-N 1 2 372.444 3.094 20 30 FGEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000156511080 496265672 /nfs/dbraw/zinc/26/56/72/496265672.db2.gz VDPKHISTVSCXDJ-UHFFFAOYSA-N 1 2 372.444 3.094 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c(C#N)c1C ZINC000156686056 496311308 /nfs/dbraw/zinc/31/13/08/496311308.db2.gz CCQFSMORHQVYNQ-ZDUSSCGKSA-N 1 2 352.438 3.047 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c(C#N)c1C ZINC000156686056 496311311 /nfs/dbraw/zinc/31/13/11/496311311.db2.gz CCQFSMORHQVYNQ-ZDUSSCGKSA-N 1 2 352.438 3.047 20 30 FGEDLO CC(C)c1ccc2occ(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000580777818 505836920 /nfs/dbraw/zinc/83/69/20/505836920.db2.gz JRNMOAXKLYZRMC-UHFFFAOYSA-N 1 2 369.465 3.244 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000156757991 496327215 /nfs/dbraw/zinc/32/72/15/496327215.db2.gz TUTACJLZXWDGAZ-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000156757991 496327219 /nfs/dbraw/zinc/32/72/19/496327219.db2.gz TUTACJLZXWDGAZ-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000157286555 496446818 /nfs/dbraw/zinc/44/68/18/496446818.db2.gz YWZNXFUWMBNUBM-UHFFFAOYSA-N 1 2 370.478 3.061 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181572890 496451224 /nfs/dbraw/zinc/45/12/24/496451224.db2.gz RZMXTFWAUVTKLH-UHFFFAOYSA-N 1 2 362.433 3.034 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1Cl ZINC000153920820 496624425 /nfs/dbraw/zinc/62/44/25/496624425.db2.gz LOUWLGHRBZTKLF-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277474891 496783973 /nfs/dbraw/zinc/78/39/73/496783973.db2.gz NPYPOJGWOHLQLT-QGZVFWFLSA-N 1 2 355.463 3.417 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192131 496802161 /nfs/dbraw/zinc/80/21/61/496802161.db2.gz YJSWSBPXAJUADJ-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247192131 496802169 /nfs/dbraw/zinc/80/21/69/496802169.db2.gz YJSWSBPXAJUADJ-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000264142175 496821015 /nfs/dbraw/zinc/82/10/15/496821015.db2.gz OLZYGZJNKGDQGZ-UHFFFAOYSA-N 1 2 363.461 3.109 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCOCC1 ZINC000578128359 505868278 /nfs/dbraw/zinc/86/82/78/505868278.db2.gz IAQSIEQQECKKOA-UHFFFAOYSA-N 1 2 353.466 3.440 20 30 FGEDLO N#Cc1ccc(SCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000264242168 496849703 /nfs/dbraw/zinc/84/97/03/496849703.db2.gz ZLOUVFMIWFOUOM-UHFFFAOYSA-N 1 2 366.490 3.352 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000191761703 496881019 /nfs/dbraw/zinc/88/10/19/496881019.db2.gz MTUVEVKKOOEELV-UHFFFAOYSA-N 1 2 350.260 3.474 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000191761703 496881025 /nfs/dbraw/zinc/88/10/25/496881025.db2.gz MTUVEVKKOOEELV-UHFFFAOYSA-N 1 2 350.260 3.474 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000191772258 496883788 /nfs/dbraw/zinc/88/37/88/496883788.db2.gz FLTHHTOGOPMFHH-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000247650411 496900265 /nfs/dbraw/zinc/90/02/65/496900265.db2.gz MRCJIKXRUIFTIP-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CCc1nnc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)[nH]1 ZINC000191896476 496924198 /nfs/dbraw/zinc/92/41/98/496924198.db2.gz SJVSXWMXINUULY-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO CCc1n[nH]c(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000191896476 496924204 /nfs/dbraw/zinc/92/42/04/496924204.db2.gz SJVSXWMXINUULY-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO CCc1nc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n[nH]1 ZINC000191896476 496924209 /nfs/dbraw/zinc/92/42/09/496924209.db2.gz SJVSXWMXINUULY-UHFFFAOYSA-N 1 2 374.286 3.381 20 30 FGEDLO Cc1cc(N2CCN(c3c(C#N)nnc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000265809724 497186041 /nfs/dbraw/zinc/18/60/41/497186041.db2.gz SYSCIOBVHZQPKW-UHFFFAOYSA-N 1 2 373.464 3.050 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000275003397 497215670 /nfs/dbraw/zinc/21/56/70/497215670.db2.gz CPKBHPSVQKNHIB-SFHVURJKSA-N 1 2 354.498 3.329 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249685074 497231705 /nfs/dbraw/zinc/23/17/05/497231705.db2.gz LPFLQJZNPNYDEH-QWHCGFSZSA-N 1 2 369.494 3.038 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249685074 497231706 /nfs/dbraw/zinc/23/17/06/497231706.db2.gz LPFLQJZNPNYDEH-QWHCGFSZSA-N 1 2 369.494 3.038 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1C ZINC000249706185 497234079 /nfs/dbraw/zinc/23/40/79/497234079.db2.gz AUKNPYINMPFONQ-UXHICEINSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1C ZINC000249706185 497234082 /nfs/dbraw/zinc/23/40/82/497234082.db2.gz AUKNPYINMPFONQ-UXHICEINSA-N 1 2 355.482 3.194 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000251701483 497282439 /nfs/dbraw/zinc/28/24/39/497282439.db2.gz JYTMQPTZBQLJTN-CZUORRHYSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000251701483 497282440 /nfs/dbraw/zinc/28/24/40/497282440.db2.gz JYTMQPTZBQLJTN-CZUORRHYSA-N 1 2 361.511 3.184 20 30 FGEDLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)nc2c1 ZINC000271648063 497408889 /nfs/dbraw/zinc/40/88/89/497408889.db2.gz ILYJLEMTJQPRFX-ZDUSSCGKSA-N 1 2 369.446 3.344 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000275766056 497425604 /nfs/dbraw/zinc/42/56/04/497425604.db2.gz RWRQKIZNKAOMGA-QGZVFWFLSA-N 1 2 366.490 3.141 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000275766056 497425608 /nfs/dbraw/zinc/42/56/08/497425608.db2.gz RWRQKIZNKAOMGA-QGZVFWFLSA-N 1 2 366.490 3.141 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC2(CCOCC2)O1 ZINC000279770772 497536196 /nfs/dbraw/zinc/53/61/96/497536196.db2.gz NBBKKLYQXJEOTL-CYBMUJFWSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC2(CCOCC2)O1 ZINC000279770772 497536204 /nfs/dbraw/zinc/53/62/04/497536204.db2.gz NBBKKLYQXJEOTL-CYBMUJFWSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)c(O)c2)C[C@@H](C)O1 ZINC000190728629 497587203 /nfs/dbraw/zinc/58/72/03/497587203.db2.gz ZNYALEMIRQAZPP-HUUCEWRRSA-N 1 2 365.433 3.125 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000272555207 497661808 /nfs/dbraw/zinc/66/18/08/497661808.db2.gz FTHAHEVZWGPMDW-MRXNPFEDSA-N 1 2 371.872 3.498 20 30 FGEDLO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272650131 497690747 /nfs/dbraw/zinc/69/07/47/497690747.db2.gz MUQJTGCUJSWLMN-IBGZPJMESA-N 1 2 360.417 3.490 20 30 FGEDLO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272650131 497690748 /nfs/dbraw/zinc/69/07/48/497690748.db2.gz MUQJTGCUJSWLMN-IBGZPJMESA-N 1 2 360.417 3.490 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000191118423 497714466 /nfs/dbraw/zinc/71/44/66/497714466.db2.gz PGLPMLBXGVJWES-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000191118423 497714469 /nfs/dbraw/zinc/71/44/69/497714469.db2.gz PGLPMLBXGVJWES-UHFFFAOYSA-N 1 2 358.261 3.195 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241238 497754465 /nfs/dbraw/zinc/75/44/65/497754465.db2.gz CIWLIBRJYLKBMM-QGZVFWFLSA-N 1 2 355.404 3.495 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191241238 497754469 /nfs/dbraw/zinc/75/44/69/497754469.db2.gz CIWLIBRJYLKBMM-QGZVFWFLSA-N 1 2 355.404 3.495 20 30 FGEDLO COCCn1nc(C)c(C(=O)/C=C/c2[nH+]ccn2-c2ccccc2)c1C ZINC000191333310 497783715 /nfs/dbraw/zinc/78/37/15/497783715.db2.gz MMDJMSXMYBGOTC-MDZDMXLPSA-N 1 2 350.422 3.228 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](C3CCCCC3)C1)CCC2 ZINC000329577107 497834095 /nfs/dbraw/zinc/83/40/95/497834095.db2.gz KELZFSOIUHXVHN-ROUUACIJSA-N 1 2 360.502 3.264 20 30 FGEDLO O=C(C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CCC1 ZINC000329590172 497837413 /nfs/dbraw/zinc/83/74/13/497837413.db2.gz SYEPJBKTIOKPMX-SFHVURJKSA-N 1 2 371.481 3.171 20 30 FGEDLO O=C(C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2)NCC1CCC1 ZINC000329590172 497837419 /nfs/dbraw/zinc/83/74/19/497837419.db2.gz SYEPJBKTIOKPMX-SFHVURJKSA-N 1 2 371.481 3.171 20 30 FGEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1(F)F ZINC000329620567 497848254 /nfs/dbraw/zinc/84/82/54/497848254.db2.gz REPUYHAOBRLDMH-OLZOCXBDSA-N 1 2 354.445 3.387 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329624146 497849697 /nfs/dbraw/zinc/84/96/97/497849697.db2.gz GFSHMWBZXUHLRC-SECBINFHSA-N 1 2 367.812 3.159 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1[C@@H]3CCCO[C@@H]3C1(C)C)C2 ZINC000329801696 497907160 /nfs/dbraw/zinc/90/71/60/497907160.db2.gz JTPNLJUKPNELAK-XKQJLSEDSA-N 1 2 360.502 3.019 20 30 FGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000329852274 497927388 /nfs/dbraw/zinc/92/73/88/497927388.db2.gz UPLHSZBBGBGEOT-SNVBAGLBSA-N 1 2 353.348 3.097 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000329901483 497945071 /nfs/dbraw/zinc/94/50/71/497945071.db2.gz GYXFUHRSFJGOLD-LAUBAEHRSA-N 1 2 360.498 3.189 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000329901483 497945080 /nfs/dbraw/zinc/94/50/80/497945080.db2.gz GYXFUHRSFJGOLD-LAUBAEHRSA-N 1 2 360.498 3.189 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901683 497945397 /nfs/dbraw/zinc/94/53/97/497945397.db2.gz OURNRTDIZAGAJH-SPYBWZPUSA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901683 497945404 /nfs/dbraw/zinc/94/54/04/497945404.db2.gz OURNRTDIZAGAJH-SPYBWZPUSA-N 1 2 371.481 3.289 20 30 FGEDLO Cc1ccc(C)c(NC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000329905020 497947117 /nfs/dbraw/zinc/94/71/17/497947117.db2.gz JLYPJTCRWHTROD-IRXDYDNUSA-N 1 2 373.476 3.127 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCOc3c(C)cccc31)CCC2 ZINC000329913821 497951506 /nfs/dbraw/zinc/95/15/06/497951506.db2.gz CCAXJAPPSXSFOU-DOTOQJQBSA-N 1 2 354.454 3.405 20 30 FGEDLO CN(C)c1[nH+]cccc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000284994741 497964534 /nfs/dbraw/zinc/96/45/34/497964534.db2.gz BVHZDFHOLKRRNU-UHFFFAOYSA-N 1 2 367.428 3.013 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2ccc(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329956246 497969479 /nfs/dbraw/zinc/96/94/79/497969479.db2.gz LDQIJTPKWGNGNL-CJNGLKHVSA-N 1 2 361.515 3.003 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000285029153 497974240 /nfs/dbraw/zinc/97/42/40/497974240.db2.gz OWUQWSFPDYOZHD-IBGZPJMESA-N 1 2 369.852 3.015 20 30 FGEDLO CCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CCOCC1 ZINC000329974861 497976009 /nfs/dbraw/zinc/97/60/09/497976009.db2.gz DGVGQTQPUWHYII-HOTGVXAUSA-N 1 2 367.465 3.367 20 30 FGEDLO CCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CCOCC1 ZINC000329974861 497976012 /nfs/dbraw/zinc/97/60/12/497976012.db2.gz DGVGQTQPUWHYII-HOTGVXAUSA-N 1 2 367.465 3.367 20 30 FGEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1coc2cc(F)ccc21 ZINC000330007448 497987738 /nfs/dbraw/zinc/98/77/38/497987738.db2.gz DNRCNNGSVGVYER-GOSISDBHSA-N 1 2 364.442 3.084 20 30 FGEDLO Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330034349 497998093 /nfs/dbraw/zinc/99/80/93/497998093.db2.gz WIGQXKUOKXFSGB-INIZCTEOSA-N 1 2 362.861 3.458 20 30 FGEDLO Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330034349 497998095 /nfs/dbraw/zinc/99/80/95/497998095.db2.gz WIGQXKUOKXFSGB-INIZCTEOSA-N 1 2 362.861 3.458 20 30 FGEDLO CC(C)(c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1cc(F)cc(C#N)c1 ZINC000289079115 498006844 /nfs/dbraw/zinc/00/68/44/498006844.db2.gz JLGKFVVPYDMPMB-DLBZAZTESA-N 1 2 370.428 3.332 20 30 FGEDLO CC(C)(c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1cc(F)cc(C#N)c1 ZINC000289079115 498006852 /nfs/dbraw/zinc/00/68/52/498006852.db2.gz JLGKFVVPYDMPMB-DLBZAZTESA-N 1 2 370.428 3.332 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330059123 498007262 /nfs/dbraw/zinc/00/72/62/498007262.db2.gz KLQPVPKVZMOSNH-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000330075542 498011728 /nfs/dbraw/zinc/01/17/28/498011728.db2.gz DIWOEADGYKQAPJ-HKUYNNGSSA-N 1 2 354.454 3.221 20 30 FGEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330103918 498023295 /nfs/dbraw/zinc/02/32/95/498023295.db2.gz HEASMZUCHQLIRI-SIKLNZKXSA-N 1 2 374.525 3.381 20 30 FGEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330103918 498023302 /nfs/dbraw/zinc/02/33/02/498023302.db2.gz HEASMZUCHQLIRI-SIKLNZKXSA-N 1 2 374.525 3.381 20 30 FGEDLO Cc1cc(NC(=O)N2CCO[C@H](C3CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000330125123 498029813 /nfs/dbraw/zinc/02/98/13/498029813.db2.gz IHABYIJTMFDQHE-YJBOKZPZSA-N 1 2 358.486 3.425 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc(F)cc1 ZINC000330146978 498038849 /nfs/dbraw/zinc/03/88/49/498038849.db2.gz IHAOJVUXJYGUAC-XPGWFJOJSA-N 1 2 364.461 3.359 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc(F)cc1 ZINC000330146978 498038855 /nfs/dbraw/zinc/03/88/55/498038855.db2.gz IHAOJVUXJYGUAC-XPGWFJOJSA-N 1 2 364.461 3.359 20 30 FGEDLO COc1cccc2c(N3CCN(c4snc(C)c4C#N)CC3)cc[nH+]c12 ZINC000578567517 505969314 /nfs/dbraw/zinc/96/93/14/505969314.db2.gz HFFZJOHQMMVHSA-UHFFFAOYSA-N 1 2 365.462 3.207 20 30 FGEDLO Cc1cn2cc(NC(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)ccc2[nH+]1 ZINC000330326330 498105382 /nfs/dbraw/zinc/10/53/82/498105382.db2.gz JZVJYQAPCQIPEE-GFCCVEGCSA-N 1 2 356.348 3.230 20 30 FGEDLO CCN1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330350576 498114402 /nfs/dbraw/zinc/11/44/02/498114402.db2.gz LGNCLTFWOQAYJB-GFCCVEGCSA-N 1 2 362.503 3.088 20 30 FGEDLO Cc1cccn2cc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[nH+]c12 ZINC000285532567 498118515 /nfs/dbraw/zinc/11/85/15/498118515.db2.gz SLKQCQGJVRABSO-UHFFFAOYSA-N 1 2 350.397 3.248 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000285575262 498134904 /nfs/dbraw/zinc/13/49/04/498134904.db2.gz UOYGCWDOXUCABR-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000330526611 498147279 /nfs/dbraw/zinc/14/72/79/498147279.db2.gz QRHHMLXOOALDRF-UHFFFAOYSA-N 1 2 350.287 3.049 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289453726 498152809 /nfs/dbraw/zinc/15/28/09/498152809.db2.gz FWQCXJFQGVOXKI-SJLPKXTDSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289453726 498152815 /nfs/dbraw/zinc/15/28/15/498152815.db2.gz FWQCXJFQGVOXKI-SJLPKXTDSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)cn1 ZINC000301588981 498176204 /nfs/dbraw/zinc/17/62/04/498176204.db2.gz PXHYJKQKQQGEEQ-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1cc(NC(=O)NCC[C@H](C)[S@](C)=O)c[nH+]c1N1CCCC[C@H]1C ZINC000330781725 498192957 /nfs/dbraw/zinc/19/29/57/498192957.db2.gz OSOPKKDNLTXZPU-XESHVACXSA-N 1 2 366.531 3.252 20 30 FGEDLO Cc1cccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1Br ZINC000330993404 498231380 /nfs/dbraw/zinc/23/13/80/498231380.db2.gz ZCBOQWIIFKLYDL-UHFFFAOYSA-N 1 2 370.291 3.194 20 30 FGEDLO Cc1cccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1Br ZINC000330993404 498231387 /nfs/dbraw/zinc/23/13/87/498231387.db2.gz ZCBOQWIIFKLYDL-UHFFFAOYSA-N 1 2 370.291 3.194 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000581525544 506007588 /nfs/dbraw/zinc/00/75/88/506007588.db2.gz WPDHMUWFKKVLNY-KRWDZBQOSA-N 1 2 362.424 3.047 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000331245135 498283654 /nfs/dbraw/zinc/28/36/54/498283654.db2.gz RDURKSVMGKVIMO-CQSZACIVSA-N 1 2 350.287 3.049 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c(OC(F)F)c1 ZINC000331245135 498283660 /nfs/dbraw/zinc/28/36/60/498283660.db2.gz RDURKSVMGKVIMO-CQSZACIVSA-N 1 2 350.287 3.049 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318940 498299138 /nfs/dbraw/zinc/29/91/38/498299138.db2.gz KFYCBIWELXWDKP-QAPCUYQASA-N 1 2 361.461 3.208 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331318940 498299139 /nfs/dbraw/zinc/29/91/39/498299139.db2.gz KFYCBIWELXWDKP-QAPCUYQASA-N 1 2 361.461 3.208 20 30 FGEDLO CN(C(=O)CSc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365108157 498299355 /nfs/dbraw/zinc/29/93/55/498299355.db2.gz BZEHTSRFXZNDGR-UHFFFAOYSA-N 1 2 366.490 3.173 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1F ZINC000365234051 498365422 /nfs/dbraw/zinc/36/54/22/498365422.db2.gz MBCMTNWIEDTZMA-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1F ZINC000365234051 498365428 /nfs/dbraw/zinc/36/54/28/498365428.db2.gz MBCMTNWIEDTZMA-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO Cc1nc(N2CCN(c3cccc(F)c3C#N)CC2)c2c([nH+]1)CCCC2 ZINC000302038090 498380249 /nfs/dbraw/zinc/38/02/49/498380249.db2.gz GMAHIQGUPLBPMK-UHFFFAOYSA-N 1 2 351.429 3.001 20 30 FGEDLO C=CCC1(CNC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCCC1 ZINC000572694861 506030599 /nfs/dbraw/zinc/03/05/99/506030599.db2.gz TVZBREZRWFXMHA-UHFFFAOYSA-N 1 2 354.454 3.073 20 30 FGEDLO CC(C)[C@@H](CNc1ccc(Br)cc1C#N)N1CC[NH+](C)CC1 ZINC000302194985 498437682 /nfs/dbraw/zinc/43/76/82/498437682.db2.gz SIGMYYJSSUAZHC-QGZVFWFLSA-N 1 2 365.319 3.005 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362126986 498467675 /nfs/dbraw/zinc/46/76/75/498467675.db2.gz FZLABLXTCCNSJE-OAHLLOKOSA-N 1 2 353.426 3.100 20 30 FGEDLO COc1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)ccc1C#N ZINC000331876536 498484684 /nfs/dbraw/zinc/48/46/84/498484684.db2.gz HAUKWCIACOSKGY-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO N#CCC(=O)N1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000578879126 506043763 /nfs/dbraw/zinc/04/37/63/506043763.db2.gz MXPWHTXMGGSHNN-UHFFFAOYSA-N 1 2 374.897 3.038 20 30 FGEDLO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063119 498547961 /nfs/dbraw/zinc/54/79/61/498547961.db2.gz ZEYPQFDCXPZMME-YOEHRIQHSA-N 1 2 360.889 3.099 20 30 FGEDLO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063119 498547968 /nfs/dbraw/zinc/54/79/68/498547968.db2.gz ZEYPQFDCXPZMME-YOEHRIQHSA-N 1 2 360.889 3.099 20 30 FGEDLO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063117 498548348 /nfs/dbraw/zinc/54/83/48/498548348.db2.gz ZEYPQFDCXPZMME-WMLDXEAASA-N 1 2 360.889 3.099 20 30 FGEDLO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063117 498548354 /nfs/dbraw/zinc/54/83/54/498548354.db2.gz ZEYPQFDCXPZMME-WMLDXEAASA-N 1 2 360.889 3.099 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3ccc(Cl)c(C#N)n3)CC2)cs1 ZINC000365614110 498558953 /nfs/dbraw/zinc/55/89/53/498558953.db2.gz ZZZRVLWEWWRKON-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3ccc(Cl)c(C#N)n3)CC2)cs1 ZINC000365614110 498558963 /nfs/dbraw/zinc/55/89/63/498558963.db2.gz ZZZRVLWEWWRKON-UHFFFAOYSA-N 1 2 361.902 3.338 20 30 FGEDLO C[C@H]1CCCN(C(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000332163141 498584693 /nfs/dbraw/zinc/58/46/93/498584693.db2.gz ZKOUWTBGRHZUBW-HNAYVOBHSA-N 1 2 368.481 3.105 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)(C)CO ZINC000298002576 498634143 /nfs/dbraw/zinc/63/41/43/498634143.db2.gz ZSUFACGXKDLEGY-INIZCTEOSA-N 1 2 369.469 3.103 20 30 FGEDLO C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000332287302 498634314 /nfs/dbraw/zinc/63/43/14/498634314.db2.gz IUGXNLOMAOSTCU-SWLSCSKDSA-N 1 2 373.254 3.241 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)cc1N(C)C ZINC000332359306 498661963 /nfs/dbraw/zinc/66/19/63/498661963.db2.gz CLJJMUXLOGMLBQ-LIRRHRJNSA-N 1 2 366.469 3.244 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000287204941 498671452 /nfs/dbraw/zinc/67/14/52/498671452.db2.gz MCSKHDSLXGBHDV-UHFFFAOYSA-N 1 2 374.242 3.386 20 30 FGEDLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)cc1N(C)C ZINC000332482356 498700244 /nfs/dbraw/zinc/70/02/44/498700244.db2.gz YXVFNDQJLBOSKW-CQSZACIVSA-N 1 2 352.442 3.067 20 30 FGEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1cccs1 ZINC000363213610 498707231 /nfs/dbraw/zinc/70/72/31/498707231.db2.gz ABKZCQNEJKULMP-IBGZPJMESA-N 1 2 353.491 3.137 20 30 FGEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1cccs1 ZINC000363213610 498707237 /nfs/dbraw/zinc/70/72/37/498707237.db2.gz ABKZCQNEJKULMP-IBGZPJMESA-N 1 2 353.491 3.137 20 30 FGEDLO N#Cc1c(N2CCC[N@H+](Cc3cscn3)CC2)nc2cc(Cl)ccn12 ZINC000287721234 498846705 /nfs/dbraw/zinc/84/67/05/498846705.db2.gz FWSTVWGFYMBRLR-UHFFFAOYSA-N 1 2 372.885 3.028 20 30 FGEDLO N#Cc1c(N2CCC[N@@H+](Cc3cscn3)CC2)nc2cc(Cl)ccn12 ZINC000287721234 498846708 /nfs/dbraw/zinc/84/67/08/498846708.db2.gz FWSTVWGFYMBRLR-UHFFFAOYSA-N 1 2 372.885 3.028 20 30 FGEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccs1 ZINC000298719008 498860479 /nfs/dbraw/zinc/86/04/79/498860479.db2.gz NHKAGGDDBKWZMM-HNNXBMFYSA-N 1 2 366.446 3.095 20 30 FGEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccs1 ZINC000298719008 498860485 /nfs/dbraw/zinc/86/04/85/498860485.db2.gz NHKAGGDDBKWZMM-HNNXBMFYSA-N 1 2 366.446 3.095 20 30 FGEDLO N#C[C@@H](C(=O)C[N@H+](Cc1ccccc1)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298754946 498869338 /nfs/dbraw/zinc/86/93/38/498869338.db2.gz VQHFLIRIXFFREK-SFHVURJKSA-N 1 2 372.428 3.176 20 30 FGEDLO N#C[C@@H](C(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298754946 498869346 /nfs/dbraw/zinc/86/93/46/498869346.db2.gz VQHFLIRIXFFREK-SFHVURJKSA-N 1 2 372.428 3.176 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1C ZINC000298765836 498872424 /nfs/dbraw/zinc/87/24/24/498872424.db2.gz QKYPPSXMZTUVCB-UHFFFAOYSA-N 1 2 371.525 3.198 20 30 FGEDLO Cc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H]1CCCn3cc[nH+]c31)CCC2 ZINC000328617167 498875372 /nfs/dbraw/zinc/87/53/72/498875372.db2.gz TZEWZBZERDRENA-UKRRQHHQSA-N 1 2 359.499 3.449 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)NCC1CCC(C#N)CC1)C2 ZINC000333037855 498877223 /nfs/dbraw/zinc/87/72/23/498877223.db2.gz IZGDBDQYDLHDST-GPANFISMSA-N 1 2 357.502 3.125 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)NCC1CCC(C#N)CC1)C2 ZINC000333037857 498877282 /nfs/dbraw/zinc/87/72/82/498877282.db2.gz IZGDBDQYDLHDST-UYSNPLJNSA-N 1 2 357.502 3.125 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000581986551 506106290 /nfs/dbraw/zinc/10/62/90/506106290.db2.gz ILLFYWUWZVPSJB-AABGKKOBSA-N 1 2 368.481 3.274 20 30 FGEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000366353236 498888044 /nfs/dbraw/zinc/88/80/44/498888044.db2.gz CWJDJMFUVPCZJH-UHFFFAOYSA-N 1 2 362.389 3.283 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC[C@H]1c1ccccc1)CCC2 ZINC000328648853 498888669 /nfs/dbraw/zinc/88/86/69/498888669.db2.gz IHXUCXVXKUQXIC-ROUUACIJSA-N 1 2 354.454 3.056 20 30 FGEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCN(CC(F)(F)F)CC1 ZINC000328705946 498908661 /nfs/dbraw/zinc/90/86/61/498908661.db2.gz AFCNNUQHWNKJPY-JSGCOSHPSA-N 1 2 358.408 3.065 20 30 FGEDLO C[C@]1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOC1 ZINC000328799139 498943605 /nfs/dbraw/zinc/94/36/05/498943605.db2.gz GYAMFSYHJDKGAT-HXUWFJFHSA-N 1 2 352.438 3.354 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328874906 498969992 /nfs/dbraw/zinc/96/99/92/498969992.db2.gz RVWSOATYRBLOTL-TZMCWYRMSA-N 1 2 370.371 3.366 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328874906 498969998 /nfs/dbraw/zinc/96/99/98/498969998.db2.gz RVWSOATYRBLOTL-TZMCWYRMSA-N 1 2 370.371 3.366 20 30 FGEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cccs1 ZINC000283783081 498981760 /nfs/dbraw/zinc/98/17/60/498981760.db2.gz DNMRLFZZHRSOHO-ZDUSSCGKSA-N 1 2 350.513 3.005 20 30 FGEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cccs1 ZINC000283783081 498981764 /nfs/dbraw/zinc/98/17/64/498981764.db2.gz DNMRLFZZHRSOHO-ZDUSSCGKSA-N 1 2 350.513 3.005 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000329042503 499023872 /nfs/dbraw/zinc/02/38/72/499023872.db2.gz IPIOCNNPKVPMJI-CDHAZOANSA-N 1 2 372.494 3.436 20 30 FGEDLO CC(=O)N1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCCCC2 ZINC000329067866 499031978 /nfs/dbraw/zinc/03/19/78/499031978.db2.gz XFXMQZMMDYCRHX-UHFFFAOYSA-N 1 2 365.424 3.420 20 30 FGEDLO CC(=O)N1CC[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCCCC2 ZINC000329067866 499031981 /nfs/dbraw/zinc/03/19/81/499031981.db2.gz XFXMQZMMDYCRHX-UHFFFAOYSA-N 1 2 365.424 3.420 20 30 FGEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000284098901 499047653 /nfs/dbraw/zinc/04/76/53/499047653.db2.gz LDNRCZMKLNABKB-JOYOIKCWSA-N 1 2 370.331 3.284 20 30 FGEDLO Cc1ccc(F)cc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329168030 499061496 /nfs/dbraw/zinc/06/14/96/499061496.db2.gz INQGHMDAMGTSBC-VQIMIIECSA-N 1 2 370.428 3.067 20 30 FGEDLO CCCCCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000299469030 499068425 /nfs/dbraw/zinc/06/84/25/499068425.db2.gz FYOYFYXXEVOFGP-MRXNPFEDSA-N 1 2 370.497 3.046 20 30 FGEDLO CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000329205619 499072071 /nfs/dbraw/zinc/07/20/71/499072071.db2.gz XBLHCWXUVSMKBV-YOEHRIQHSA-N 1 2 370.444 3.228 20 30 FGEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nc2c(cc1C#N)CCC2 ZINC000329229186 499078113 /nfs/dbraw/zinc/07/81/13/499078113.db2.gz JDUSFANNXBOKQN-SFHVURJKSA-N 1 2 368.506 3.013 20 30 FGEDLO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329256319 499085998 /nfs/dbraw/zinc/08/59/98/499085998.db2.gz XOJXJCKGJRUDGS-QWHCGFSZSA-N 1 2 362.836 3.473 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC000329368713 499110059 /nfs/dbraw/zinc/11/00/59/499110059.db2.gz HZTHYSGMRLUQDS-CYBMUJFWSA-N 1 2 368.437 3.481 20 30 FGEDLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)NC(=O)NC1CC1 ZINC000329417421 499118060 /nfs/dbraw/zinc/11/80/60/499118060.db2.gz DKHCTEVHGYOZNX-AWEZNQCLSA-N 1 2 374.489 3.065 20 30 FGEDLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)NC(=O)NC1CC1 ZINC000329417421 499118062 /nfs/dbraw/zinc/11/80/62/499118062.db2.gz DKHCTEVHGYOZNX-AWEZNQCLSA-N 1 2 374.489 3.065 20 30 FGEDLO COc1cccc([C@@H](NC(=O)c2ccc(C)c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000366940982 499119508 /nfs/dbraw/zinc/11/95/08/499119508.db2.gz NMELPCROZYZVHG-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCOCC1 ZINC000329432883 499120899 /nfs/dbraw/zinc/12/08/99/499120899.db2.gz IUXDXSMYNYXAFZ-SJLPKXTDSA-N 1 2 374.529 3.170 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cnc2c(c1)CCCC2 ZINC000329435292 499121137 /nfs/dbraw/zinc/12/11/37/499121137.db2.gz ISRIHMPGGTZYTJ-UHFFFAOYSA-N 1 2 351.454 3.482 20 30 FGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057020 499141113 /nfs/dbraw/zinc/14/11/13/499141113.db2.gz FAVBRAYJDDINRA-HNNXBMFYSA-N 1 2 359.433 3.349 20 30 FGEDLO C#CC[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000370372668 499213966 /nfs/dbraw/zinc/21/39/66/499213966.db2.gz BZRYYQYLQZLVOO-KRWDZBQOSA-N 1 2 369.375 3.118 20 30 FGEDLO Cc1cccc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000367661862 499222257 /nfs/dbraw/zinc/22/22/57/499222257.db2.gz UDJDEZSRKVCCDX-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000573193581 506140129 /nfs/dbraw/zinc/14/01/29/506140129.db2.gz JBLQLBDAZXBWDN-UHFFFAOYSA-N 1 2 360.417 3.246 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000371387714 499319357 /nfs/dbraw/zinc/31/93/57/499319357.db2.gz JXJFERDFXCMLJY-UHFFFAOYSA-N 1 2 359.433 3.300 20 30 FGEDLO COCCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371463879 499330559 /nfs/dbraw/zinc/33/05/59/499330559.db2.gz MCINJADVMWRLDV-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371463879 499330560 /nfs/dbraw/zinc/33/05/60/499330560.db2.gz MCINJADVMWRLDV-OAQYLSRUSA-N 1 2 352.434 3.157 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000371591751 499345200 /nfs/dbraw/zinc/34/52/00/499345200.db2.gz GHWZCDMBCUGUEW-QHCPKHFHSA-N 1 2 370.456 3.291 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000371591751 499345202 /nfs/dbraw/zinc/34/52/02/499345202.db2.gz GHWZCDMBCUGUEW-QHCPKHFHSA-N 1 2 370.456 3.291 20 30 FGEDLO C=CC[C@@H]1N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CCCC1(C)C ZINC000368915698 499345827 /nfs/dbraw/zinc/34/58/27/499345827.db2.gz NWPZPYBMISBRPD-SFHVURJKSA-N 1 2 358.530 3.225 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000368915355 499345948 /nfs/dbraw/zinc/34/59/48/499345948.db2.gz ZVFDAQCPZLFTKJ-SJLPKXTDSA-N 1 2 355.463 3.146 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000368915355 499345950 /nfs/dbraw/zinc/34/59/50/499345950.db2.gz ZVFDAQCPZLFTKJ-SJLPKXTDSA-N 1 2 355.463 3.146 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c(C#N)c1C ZINC000371647835 499350146 /nfs/dbraw/zinc/35/01/46/499350146.db2.gz UPUMFKBOVFBMDA-MRXNPFEDSA-N 1 2 363.421 3.003 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c(C#N)c1C ZINC000371647835 499350147 /nfs/dbraw/zinc/35/01/47/499350147.db2.gz UPUMFKBOVFBMDA-MRXNPFEDSA-N 1 2 363.421 3.003 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656951 499351607 /nfs/dbraw/zinc/35/16/07/499351607.db2.gz WXKCYEYJTYSQHP-UYAOXDASSA-N 1 2 360.417 3.069 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656951 499351609 /nfs/dbraw/zinc/35/16/09/499351609.db2.gz WXKCYEYJTYSQHP-UYAOXDASSA-N 1 2 360.417 3.069 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025711 499358519 /nfs/dbraw/zinc/35/85/19/499358519.db2.gz DLSZQFQAODCGEJ-RTWAWAEBSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025711 499358521 /nfs/dbraw/zinc/35/85/21/499358521.db2.gz DLSZQFQAODCGEJ-RTWAWAEBSA-N 1 2 368.456 3.296 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204108 499377088 /nfs/dbraw/zinc/37/70/88/499377088.db2.gz DYCNFBGAIWGVJY-FGTMMUONSA-N 1 2 354.498 3.022 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=C(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000369263547 499385111 /nfs/dbraw/zinc/38/51/11/499385111.db2.gz FPUDEZFIQWZVQY-ZDUSSCGKSA-N 1 2 368.412 3.419 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3cncc(F)c3)CC2)c(C#N)c1C ZINC000369263547 499385113 /nfs/dbraw/zinc/38/51/13/499385113.db2.gz FPUDEZFIQWZVQY-ZDUSSCGKSA-N 1 2 368.412 3.419 20 30 FGEDLO N#C[C@@H]1N(Cc2[nH+]ccn2Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000369304272 499389677 /nfs/dbraw/zinc/38/96/77/499389677.db2.gz ZZXZSYVSVYFLLE-FPOVZHCZSA-N 1 2 350.466 3.359 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C#N ZINC000372081296 499397128 /nfs/dbraw/zinc/39/71/28/499397128.db2.gz LROVDNGIMGCDBD-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C#N ZINC000372081296 499397129 /nfs/dbraw/zinc/39/71/29/499397129.db2.gz LROVDNGIMGCDBD-UHFFFAOYSA-N 1 2 353.426 3.480 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369627690 499428558 /nfs/dbraw/zinc/42/85/58/499428558.db2.gz CQUGVDPFLASCJU-GDBMZVCRSA-N 1 2 352.394 3.058 20 30 FGEDLO Cc1ccc(CS(=O)(=O)Cc2ncc(-c3ccc(C#N)cc3)o2)c(C)[nH+]1 ZINC000373448934 499470476 /nfs/dbraw/zinc/47/04/76/499470476.db2.gz OCVREVHACJSORW-UHFFFAOYSA-N 1 2 367.430 3.340 20 30 FGEDLO C#CC[C@@H](NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000378277374 499497168 /nfs/dbraw/zinc/49/71/68/499497168.db2.gz MAQBYKFVMKHTRM-HXUWFJFHSA-N 1 2 362.477 3.456 20 30 FGEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375463703 499521983 /nfs/dbraw/zinc/52/19/83/499521983.db2.gz DYXUSKGWVOYHNB-GDBMZVCRSA-N 1 2 374.448 3.034 20 30 FGEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409492045 499601110 /nfs/dbraw/zinc/60/11/10/499601110.db2.gz OWMHVZRUACGEFN-UHFFFAOYSA-N 1 2 355.341 3.187 20 30 FGEDLO Cc1ccc(Cc2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c[nH+]1 ZINC000377507980 499698522 /nfs/dbraw/zinc/69/85/22/499698522.db2.gz JFCWOPFVAQAQHJ-MRXNPFEDSA-N 1 2 363.396 3.369 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000411515265 499750075 /nfs/dbraw/zinc/75/00/75/499750075.db2.gz VFFNYLINSCULNA-HZPDHXFCSA-N 1 2 373.478 3.322 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000414128883 499762882 /nfs/dbraw/zinc/76/28/82/499762882.db2.gz HTQDBKNYFSYGEP-KRWDZBQOSA-N 1 2 368.462 3.188 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000414128883 499762883 /nfs/dbraw/zinc/76/28/83/499762883.db2.gz HTQDBKNYFSYGEP-KRWDZBQOSA-N 1 2 368.462 3.188 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)o1 ZINC000579407984 506166440 /nfs/dbraw/zinc/16/64/40/506166440.db2.gz SIVOGHPBLZSJEQ-SFHVURJKSA-N 1 2 351.450 3.255 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)o1 ZINC000579407984 506166443 /nfs/dbraw/zinc/16/64/43/506166443.db2.gz SIVOGHPBLZSJEQ-SFHVURJKSA-N 1 2 351.450 3.255 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429234727 500028860 /nfs/dbraw/zinc/02/88/60/500028860.db2.gz HIAXYEJDUGCSJF-IRXDYDNUSA-N 1 2 372.488 3.067 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429234727 500028863 /nfs/dbraw/zinc/02/88/63/500028863.db2.gz HIAXYEJDUGCSJF-IRXDYDNUSA-N 1 2 372.488 3.067 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429257299 500036318 /nfs/dbraw/zinc/03/63/18/500036318.db2.gz ZSURQPQYTRDJQZ-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429257299 500036322 /nfs/dbraw/zinc/03/63/22/500036322.db2.gz ZSURQPQYTRDJQZ-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000579429831 506171994 /nfs/dbraw/zinc/17/19/94/506171994.db2.gz IYKPTCXZGDIHLY-GOEBONIOSA-N 1 2 364.515 3.232 20 30 FGEDLO Cc1cc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)c(C#N)c[nH+]1 ZINC000425252988 500057833 /nfs/dbraw/zinc/05/78/33/500057833.db2.gz BXIMGXDTZLOHCB-UHFFFAOYSA-N 1 2 362.458 3.439 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000429832448 500152928 /nfs/dbraw/zinc/15/29/28/500152928.db2.gz ULOLUYRHZRGQRL-KRWDZBQOSA-N 1 2 371.506 3.168 20 30 FGEDLO CC(C)c1ccccc1-n1ccnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414099612 500153615 /nfs/dbraw/zinc/15/36/15/500153615.db2.gz QMBCVEVLFYSQGM-MRXNPFEDSA-N 1 2 358.511 3.294 20 30 FGEDLO CC(C)c1ccccc1-n1ccnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414099612 500153619 /nfs/dbraw/zinc/15/36/19/500153619.db2.gz QMBCVEVLFYSQGM-MRXNPFEDSA-N 1 2 358.511 3.294 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426154930 500242148 /nfs/dbraw/zinc/24/21/48/500242148.db2.gz XMVZWSQHAYBJGS-CQSZACIVSA-N 1 2 357.845 3.432 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)NCC3(CC#N)CC3)ccc2n1C1CC1 ZINC000573388301 506186130 /nfs/dbraw/zinc/18/61/30/506186130.db2.gz CAUNMTOWQNLBHH-UHFFFAOYSA-N 1 2 351.454 3.427 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)nn1 ZINC000424289794 500481727 /nfs/dbraw/zinc/48/17/27/500481727.db2.gz AHZPXGKCJQNNCW-OAHLLOKOSA-N 1 2 363.259 3.230 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420957800 500541800 /nfs/dbraw/zinc/54/18/00/500541800.db2.gz ZYWOQPIDEZJBKI-DGCLKSJQSA-N 1 2 357.401 3.389 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420957800 500541802 /nfs/dbraw/zinc/54/18/02/500541802.db2.gz ZYWOQPIDEZJBKI-DGCLKSJQSA-N 1 2 357.401 3.389 20 30 FGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747555 500555054 /nfs/dbraw/zinc/55/50/54/500555054.db2.gz NGDVQMADBPWGOX-ZWKOTPCHSA-N 1 2 364.436 3.199 20 30 FGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747555 500555056 /nfs/dbraw/zinc/55/50/56/500555056.db2.gz NGDVQMADBPWGOX-ZWKOTPCHSA-N 1 2 364.436 3.199 20 30 FGEDLO COC(=O)c1cc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1C ZINC000432931385 500592517 /nfs/dbraw/zinc/59/25/17/500592517.db2.gz KMOZKXNPTCNAMV-OAHLLOKOSA-N 1 2 367.449 3.125 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)oc1C ZINC000432931385 500592520 /nfs/dbraw/zinc/59/25/20/500592520.db2.gz KMOZKXNPTCNAMV-OAHLLOKOSA-N 1 2 367.449 3.125 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000570612441 506205109 /nfs/dbraw/zinc/20/51/09/506205109.db2.gz KURVRFLDNSVBQL-SFHVURJKSA-N 1 2 367.474 3.412 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000570612441 506205112 /nfs/dbraw/zinc/20/51/12/506205112.db2.gz KURVRFLDNSVBQL-SFHVURJKSA-N 1 2 367.474 3.412 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000570612440 506205133 /nfs/dbraw/zinc/20/51/33/506205133.db2.gz KURVRFLDNSVBQL-GOSISDBHSA-N 1 2 367.474 3.412 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000570612440 506205135 /nfs/dbraw/zinc/20/51/35/506205135.db2.gz KURVRFLDNSVBQL-GOSISDBHSA-N 1 2 367.474 3.412 20 30 FGEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442806333 500628699 /nfs/dbraw/zinc/62/86/99/500628699.db2.gz BFGZZBCQEHIZCU-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442806333 500628703 /nfs/dbraw/zinc/62/87/03/500628703.db2.gz BFGZZBCQEHIZCU-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO N#Cc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1C(F)(F)F ZINC000443508536 500732028 /nfs/dbraw/zinc/73/20/28/500732028.db2.gz LAAUIORHJNDJDJ-UHFFFAOYSA-N 1 2 361.371 3.391 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000438121605 500740684 /nfs/dbraw/zinc/74/06/84/500740684.db2.gz VIUINORKMQRTIT-ASSNKEHSSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000438121605 500740687 /nfs/dbraw/zinc/74/06/87/500740687.db2.gz VIUINORKMQRTIT-ASSNKEHSSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000438121615 500741004 /nfs/dbraw/zinc/74/10/04/500741004.db2.gz VIUINORKMQRTIT-ZSEKCTLFSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000438121615 500741008 /nfs/dbraw/zinc/74/10/08/500741008.db2.gz VIUINORKMQRTIT-ZSEKCTLFSA-N 1 2 360.392 3.152 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443643065 500748751 /nfs/dbraw/zinc/74/87/51/500748751.db2.gz UKEHWLPVIBTJCB-VQIMIIECSA-N 1 2 369.852 3.281 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000443643065 500748753 /nfs/dbraw/zinc/74/87/53/500748753.db2.gz UKEHWLPVIBTJCB-VQIMIIECSA-N 1 2 369.852 3.281 20 30 FGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448606096 500783530 /nfs/dbraw/zinc/78/35/30/500783530.db2.gz SVIDHJTWAWANCZ-YJYMSZOUSA-N 1 2 352.463 3.190 20 30 FGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448606096 500783531 /nfs/dbraw/zinc/78/35/31/500783531.db2.gz SVIDHJTWAWANCZ-YJYMSZOUSA-N 1 2 352.463 3.190 20 30 FGEDLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000439316083 500884240 /nfs/dbraw/zinc/88/42/40/500884240.db2.gz JAHHFEWITJUOSW-CYBMUJFWSA-N 1 2 364.287 3.222 20 30 FGEDLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000439316083 500884237 /nfs/dbraw/zinc/88/42/37/500884237.db2.gz JAHHFEWITJUOSW-CYBMUJFWSA-N 1 2 364.287 3.222 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000434796752 500896141 /nfs/dbraw/zinc/89/61/41/500896141.db2.gz RUQMAONYWXJHFV-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1OC ZINC000434796752 500896145 /nfs/dbraw/zinc/89/61/45/500896145.db2.gz RUQMAONYWXJHFV-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCc2ccccc21 ZINC000592747159 506227178 /nfs/dbraw/zinc/22/71/78/506227178.db2.gz LVUFCGMZJYGRCT-QHCPKHFHSA-N 1 2 359.473 3.107 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1cccc(Br)c1 ZINC000435671809 501008752 /nfs/dbraw/zinc/00/87/52/501008752.db2.gz FTKKSUYCCSUQDS-BPUTZDHNSA-N 1 2 368.271 3.234 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 ZINC000611622455 506233449 /nfs/dbraw/zinc/23/34/49/506233449.db2.gz LHFNYMOGGYUACO-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 ZINC000611622455 506233455 /nfs/dbraw/zinc/23/34/55/506233455.db2.gz LHFNYMOGGYUACO-GOSISDBHSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC2)n1 ZINC000602616506 506234138 /nfs/dbraw/zinc/23/41/38/506234138.db2.gz LKVOZAIJHWGFAN-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO Cc1ccccc1N1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441222467 501105637 /nfs/dbraw/zinc/10/56/37/501105637.db2.gz FJZMKAPNYMFWAS-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000449867441 501112309 /nfs/dbraw/zinc/11/23/09/501112309.db2.gz GOZLRXXGHAIJGZ-SFHVURJKSA-N 1 2 365.477 3.094 20 30 FGEDLO COc1nc(C)cc(C)c1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000588204638 506234719 /nfs/dbraw/zinc/23/47/19/506234719.db2.gz KVKPRPURNCFNAO-HXUWFJFHSA-N 1 2 368.456 3.229 20 30 FGEDLO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000596062893 506236738 /nfs/dbraw/zinc/23/67/38/506236738.db2.gz NBEPCOMKMXMLLR-QGZVFWFLSA-N 1 2 370.409 3.162 20 30 FGEDLO Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000436698196 501190792 /nfs/dbraw/zinc/19/07/92/501190792.db2.gz OYXGMDQSSQDYSQ-QGZVFWFLSA-N 1 2 355.401 3.308 20 30 FGEDLO CC1(C)C[N@@H+]([C@H](CNc2nccc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000450312265 501231339 /nfs/dbraw/zinc/23/13/39/501231339.db2.gz GSJZBPQDXDNPDJ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@H](CNc2nccc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000450312265 501231342 /nfs/dbraw/zinc/23/13/42/501231342.db2.gz GSJZBPQDXDNPDJ-QGZVFWFLSA-N 1 2 371.872 3.266 20 30 FGEDLO C=CCC[C@@H]([NH2+]Cc1nn(C)cc1I)c1ccco1 ZINC000453386430 501323380 /nfs/dbraw/zinc/32/33/80/501323380.db2.gz VJMTVFCDMOBGQE-GFCCVEGCSA-N 1 2 371.222 3.415 20 30 FGEDLO Cc1ccc([C@@H](CNc2nc3ncccc3cc2C#N)[NH+]2CCOCC2)cc1 ZINC000596085904 506248643 /nfs/dbraw/zinc/24/86/43/506248643.db2.gz NTHJULNUSZVKSZ-HXUWFJFHSA-N 1 2 373.460 3.295 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793105 501373062 /nfs/dbraw/zinc/37/30/62/501373062.db2.gz BCFXXYBWRYPZFB-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793105 501373063 /nfs/dbraw/zinc/37/30/63/501373063.db2.gz BCFXXYBWRYPZFB-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000598965876 506250299 /nfs/dbraw/zinc/25/02/99/506250299.db2.gz OEWRZCXGUCRPHB-UHFFFAOYSA-N 1 2 373.460 3.067 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000596101111 506258434 /nfs/dbraw/zinc/25/84/34/506258434.db2.gz AYVIMOCJPDYJEL-YOEHRIQHSA-N 1 2 371.872 3.498 20 30 FGEDLO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352526 501637630 /nfs/dbraw/zinc/63/76/30/501637630.db2.gz YBIICDOXROSNPP-HXUWFJFHSA-N 1 2 353.422 3.486 20 30 FGEDLO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352526 501637633 /nfs/dbraw/zinc/63/76/33/501637633.db2.gz YBIICDOXROSNPP-HXUWFJFHSA-N 1 2 353.422 3.486 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000459353051 501637893 /nfs/dbraw/zinc/63/78/93/501637893.db2.gz YVUHMESJYLOBAB-QGZVFWFLSA-N 1 2 359.426 3.017 20 30 FGEDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459391492 501645356 /nfs/dbraw/zinc/64/53/56/501645356.db2.gz PWTUDFDZDWQAQG-FZKQIMNGSA-N 1 2 353.378 3.106 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@H]3CCC[C@H]3C#N)n2)cc1 ZINC000459462405 501658345 /nfs/dbraw/zinc/65/83/45/501658345.db2.gz JNXOIRRNRIDFLV-NOLJZWGESA-N 1 2 370.478 3.428 20 30 FGEDLO CC(C)(CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455054910 501679830 /nfs/dbraw/zinc/67/98/30/501679830.db2.gz CJNCYLQRECHIDO-UHFFFAOYSA-N 1 2 354.498 3.212 20 30 FGEDLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1C#N ZINC000457441060 501698473 /nfs/dbraw/zinc/69/84/73/501698473.db2.gz AKEGFJHPQLARIF-HZPDHXFCSA-N 1 2 364.449 3.123 20 30 FGEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(F)c3C#N)CC2)nc1 ZINC000485254575 501771071 /nfs/dbraw/zinc/77/10/71/501771071.db2.gz UXKHGDRLPCBZIN-UHFFFAOYSA-N 1 2 352.413 3.252 20 30 FGEDLO C=CC[C@H](CO)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463699633 501796798 /nfs/dbraw/zinc/79/67/98/501796798.db2.gz REISYHUCNITDFU-HNNXBMFYSA-N 1 2 354.454 3.193 20 30 FGEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COc3cccc4ccccc43)C2)cc1 ZINC000460599187 501872147 /nfs/dbraw/zinc/87/21/47/501872147.db2.gz RNRFXVBDSFQEKQ-IBGZPJMESA-N 1 2 374.440 3.214 20 30 FGEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000460601987 501873322 /nfs/dbraw/zinc/87/33/22/501873322.db2.gz YMOYJCMDCNFBSI-INIZCTEOSA-N 1 2 372.852 3.023 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000478202843 501907990 /nfs/dbraw/zinc/90/79/90/501907990.db2.gz WTBNZDMGGMGRGX-UHFFFAOYSA-N 1 2 365.824 3.348 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccnn1C ZINC000471075674 501911451 /nfs/dbraw/zinc/91/14/51/501911451.db2.gz QRCWIIFTAYJBEO-ZDUSSCGKSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccnn1C ZINC000471075674 501911455 /nfs/dbraw/zinc/91/14/55/501911455.db2.gz QRCWIIFTAYJBEO-ZDUSSCGKSA-N 1 2 371.510 3.081 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000464280577 501942743 /nfs/dbraw/zinc/94/27/43/501942743.db2.gz ZILQYACUNLAVLU-KRWDZBQOSA-N 1 2 374.444 3.229 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000478450190 501985965 /nfs/dbraw/zinc/98/59/65/501985965.db2.gz BBROURVZWLOHKR-MRXNPFEDSA-N 1 2 362.861 3.007 20 30 FGEDLO N#CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000486314170 502119635 /nfs/dbraw/zinc/11/96/35/502119635.db2.gz BIOZCBJKUFCWRB-UHFFFAOYSA-N 1 2 374.400 3.204 20 30 FGEDLO COc1c(O)cccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475347170 502144024 /nfs/dbraw/zinc/14/40/24/502144024.db2.gz JYRXTAJWODSZSP-SFHVURJKSA-N 1 2 371.868 3.437 20 30 FGEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499042 502172718 /nfs/dbraw/zinc/17/27/18/502172718.db2.gz BYWGXYBHDHJRGI-HNAYVOBHSA-N 1 2 366.465 3.227 20 30 FGEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)o1 ZINC000486499042 502172723 /nfs/dbraw/zinc/17/27/23/502172723.db2.gz BYWGXYBHDHJRGI-HNAYVOBHSA-N 1 2 366.465 3.227 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1F ZINC000486689219 502232080 /nfs/dbraw/zinc/23/20/80/502232080.db2.gz HPSIICOMXDJXKD-UHFFFAOYSA-N 1 2 351.425 3.272 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479386314 502242613 /nfs/dbraw/zinc/24/26/13/502242613.db2.gz XYHUDICUXCNHPU-AWEZNQCLSA-N 1 2 364.380 3.421 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(F)c(Cl)c3)CC2)c1C#N ZINC000472148951 502249585 /nfs/dbraw/zinc/24/95/85/502249585.db2.gz BANUUDZFQRKVEP-CYBMUJFWSA-N 1 2 361.852 3.276 20 30 FGEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000483031199 502251175 /nfs/dbraw/zinc/25/11/75/502251175.db2.gz XULKQYZQOLQUTD-ZDUSSCGKSA-N 1 2 354.479 3.271 20 30 FGEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000483031199 502251178 /nfs/dbraw/zinc/25/11/78/502251178.db2.gz XULKQYZQOLQUTD-ZDUSSCGKSA-N 1 2 354.479 3.271 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cccc(Cl)c3F)CC2)c1C#N ZINC000472163098 502254031 /nfs/dbraw/zinc/25/40/31/502254031.db2.gz ZZGGEAYDXHXLJG-ZDUSSCGKSA-N 1 2 361.852 3.276 20 30 FGEDLO CC[C@]1(C)CN(c2cc(C)[nH+]c(N3CCO[C@](C)(CC)C3)c2C#N)CCO1 ZINC000596203544 506308168 /nfs/dbraw/zinc/30/81/68/506308168.db2.gz PHIACHQRQOXLPW-NHCUHLMSSA-N 1 2 372.513 3.272 20 30 FGEDLO C=CC[N@@H+](Cc1nc(CCCC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211368 506313200 /nfs/dbraw/zinc/31/32/00/506313200.db2.gz VITVZOHEGXHLIS-HNNXBMFYSA-N 1 2 367.457 3.137 20 30 FGEDLO C=CC[N@H+](Cc1nc(CCCC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211368 506313205 /nfs/dbraw/zinc/31/32/05/506313205.db2.gz VITVZOHEGXHLIS-HNNXBMFYSA-N 1 2 367.457 3.137 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472922259 502472895 /nfs/dbraw/zinc/47/28/95/502472895.db2.gz BWJWKZCLIFEGBD-QGZVFWFLSA-N 1 2 355.482 3.183 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000476392843 502478384 /nfs/dbraw/zinc/47/83/84/502478384.db2.gz PCNLENQZFQZADS-SFHVURJKSA-N 1 2 364.449 3.253 20 30 FGEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000602828591 506317155 /nfs/dbraw/zinc/31/71/55/506317155.db2.gz OKRNUKYCVJXLDK-LBPRGKRZSA-N 1 2 373.384 3.076 20 30 FGEDLO N#CCSCCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473051858 502509924 /nfs/dbraw/zinc/50/99/24/502509924.db2.gz PZDSKTNUZKJVOT-UHFFFAOYSA-N 1 2 365.549 3.367 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000466496692 502586628 /nfs/dbraw/zinc/58/66/28/502586628.db2.gz UJBBRSABMLORMG-HVEKOLDVSA-N 1 2 364.921 3.430 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000466496692 502586636 /nfs/dbraw/zinc/58/66/36/502586636.db2.gz UJBBRSABMLORMG-HVEKOLDVSA-N 1 2 364.921 3.430 20 30 FGEDLO COC(=O)[C@H](C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000484334723 502627314 /nfs/dbraw/zinc/62/73/14/502627314.db2.gz WJVWUJIUTSKYQC-ZDUSSCGKSA-N 1 2 355.356 3.353 20 30 FGEDLO COC(=O)[C@H](C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000484334723 502627319 /nfs/dbraw/zinc/62/73/19/502627319.db2.gz WJVWUJIUTSKYQC-ZDUSSCGKSA-N 1 2 355.356 3.353 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[nH]1 ZINC000484516508 502658130 /nfs/dbraw/zinc/65/81/30/502658130.db2.gz GYAFHISJHOWWGZ-MRXNPFEDSA-N 1 2 360.820 3.246 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000466830604 502697960 /nfs/dbraw/zinc/69/79/60/502697960.db2.gz GJCKAFLPMYQKTQ-UHFFFAOYSA-N 1 2 354.360 3.300 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1cc2c(cc1Br)OCCCO2 ZINC000484678131 502706018 /nfs/dbraw/zinc/70/60/18/502706018.db2.gz JZQUTTGKTJKUOF-UHFFFAOYSA-N 1 2 356.260 3.245 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1cc2c(cc1Br)OCCCO2 ZINC000484678131 502706021 /nfs/dbraw/zinc/70/60/21/502706021.db2.gz JZQUTTGKTJKUOF-UHFFFAOYSA-N 1 2 356.260 3.245 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000602871196 506331864 /nfs/dbraw/zinc/33/18/64/506331864.db2.gz ZDOPGZFAXWEHDF-APWZRJJASA-N 1 2 360.461 3.308 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000602870741 506332312 /nfs/dbraw/zinc/33/23/12/506332312.db2.gz WEVAQCDFLRGHLW-OAHLLOKOSA-N 1 2 351.454 3.360 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000485044907 502809354 /nfs/dbraw/zinc/80/93/54/502809354.db2.gz XBJXMWOWUARLQR-CYBMUJFWSA-N 1 2 357.483 3.240 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000485044907 502809356 /nfs/dbraw/zinc/80/93/56/502809356.db2.gz XBJXMWOWUARLQR-CYBMUJFWSA-N 1 2 357.483 3.240 20 30 FGEDLO CCOC(=O)c1coc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000474109945 502811355 /nfs/dbraw/zinc/81/13/55/502811355.db2.gz KASQNDFEIPDENL-UHFFFAOYSA-N 1 2 367.449 3.036 20 30 FGEDLO CCOC(=O)c1coc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000474109945 502811359 /nfs/dbraw/zinc/81/13/59/502811359.db2.gz KASQNDFEIPDENL-UHFFFAOYSA-N 1 2 367.449 3.036 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000513153853 502865833 /nfs/dbraw/zinc/86/58/33/502865833.db2.gz MMNSUVMBUYQIAK-LBPRGKRZSA-N 1 2 371.824 3.139 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513153853 502865836 /nfs/dbraw/zinc/86/58/36/502865836.db2.gz MMNSUVMBUYQIAK-LBPRGKRZSA-N 1 2 371.824 3.139 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cnc1C(F)(F)F ZINC000497464082 502965283 /nfs/dbraw/zinc/96/52/83/502965283.db2.gz RCDQWPYTDAAJLU-UHFFFAOYSA-N 1 2 371.322 3.292 20 30 FGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000489494484 502972051 /nfs/dbraw/zinc/97/20/51/502972051.db2.gz HZWZGMXZFFBIKS-GFCCVEGCSA-N 1 2 360.483 3.299 20 30 FGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000489494484 502972055 /nfs/dbraw/zinc/97/20/55/502972055.db2.gz HZWZGMXZFFBIKS-GFCCVEGCSA-N 1 2 360.483 3.299 20 30 FGEDLO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000489495042 502972142 /nfs/dbraw/zinc/97/21/42/502972142.db2.gz HYUQLIUIWGYWCE-CQSZACIVSA-N 1 2 358.301 3.263 20 30 FGEDLO C=C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000489495042 502972145 /nfs/dbraw/zinc/97/21/45/502972145.db2.gz HYUQLIUIWGYWCE-CQSZACIVSA-N 1 2 358.301 3.263 20 30 FGEDLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907503 506346423 /nfs/dbraw/zinc/34/64/23/506346423.db2.gz NCALSWBCHRUPNA-OAHLLOKOSA-N 1 2 365.485 3.386 20 30 FGEDLO N#Cc1c(F)cccc1-n1ccc(NCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000510094850 503048465 /nfs/dbraw/zinc/04/84/65/503048465.db2.gz CJLQNQWOPGJHHZ-UHFFFAOYSA-N 1 2 372.407 3.162 20 30 FGEDLO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000510162449 503061745 /nfs/dbraw/zinc/06/17/45/503061745.db2.gz ZVHXZYWSUZYTTH-GOSISDBHSA-N 1 2 372.465 3.074 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000602912569 506349938 /nfs/dbraw/zinc/34/99/38/506349938.db2.gz NDYUMJOBUXHIJH-UHFFFAOYSA-N 1 2 352.413 3.219 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000593042342 506355052 /nfs/dbraw/zinc/35/50/52/506355052.db2.gz ZAKCYTGGADRIKH-HXUWFJFHSA-N 1 2 365.433 3.056 20 30 FGEDLO CCn1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)nc2cc(C#N)ccc21 ZINC000490768548 503225695 /nfs/dbraw/zinc/22/56/95/503225695.db2.gz LFWODRXNCXTACD-UHFFFAOYSA-N 1 2 370.416 3.425 20 30 FGEDLO N#CC1(F)CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000510970692 503227384 /nfs/dbraw/zinc/22/73/84/503227384.db2.gz SSCRBWGQMQHJAO-UHFFFAOYSA-N 1 2 355.207 3.048 20 30 FGEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507198173 503248759 /nfs/dbraw/zinc/24/87/59/503248759.db2.gz VAZXXPYXELUBNT-MRXNPFEDSA-N 1 2 366.440 3.155 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)o2)c1 ZINC000593053851 506362066 /nfs/dbraw/zinc/36/20/66/506362066.db2.gz AYSIDJVOQFIXAD-UHFFFAOYSA-N 1 2 366.318 3.475 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CC2)C(F)(F)C3(F)F)C1=O ZINC000593055439 506364755 /nfs/dbraw/zinc/36/47/55/506364755.db2.gz UWSWQWQZPUHYSK-NSHDSACASA-N 1 2 373.375 3.091 20 30 FGEDLO Cc1cccn2cc(CC(=O)Nc3ccc(C#N)c(Br)c3)[nH+]c12 ZINC000582689794 506366660 /nfs/dbraw/zinc/36/66/60/506366660.db2.gz GOYQHURVDDRTEP-UHFFFAOYSA-N 1 2 369.222 3.458 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2c(cc1Br)OCCO2 ZINC000515666262 503381951 /nfs/dbraw/zinc/38/19/51/503381951.db2.gz ULWKDUWNAWRNBJ-LLVKDONJSA-N 1 2 374.238 3.338 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CCC2 ZINC000503287048 503383985 /nfs/dbraw/zinc/38/39/85/503383985.db2.gz UJSRWUQYAHEMGC-OAHLLOKOSA-N 1 2 354.458 3.319 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602980643 506372255 /nfs/dbraw/zinc/37/22/55/506372255.db2.gz SQPMACLMPDHTTC-IHPCNDPISA-N 1 2 355.482 3.373 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602980643 506372258 /nfs/dbraw/zinc/37/22/58/506372258.db2.gz SQPMACLMPDHTTC-IHPCNDPISA-N 1 2 355.482 3.373 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3coc4ccccc34)CC2)cc1 ZINC000512122147 503462550 /nfs/dbraw/zinc/46/25/50/503462550.db2.gz IDKOLBFQMCFYCN-UHFFFAOYSA-N 1 2 374.444 3.332 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000512244220 503496274 /nfs/dbraw/zinc/49/62/74/503496274.db2.gz MYDXOXOPPYYWOQ-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000516376389 503503821 /nfs/dbraw/zinc/50/38/21/503503821.db2.gz XSNMPISGWAKSTC-JSGCOSHPSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000516376389 503503825 /nfs/dbraw/zinc/50/38/25/503503825.db2.gz XSNMPISGWAKSTC-JSGCOSHPSA-N 1 2 367.434 3.279 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000494228217 503507798 /nfs/dbraw/zinc/50/77/98/503507798.db2.gz UKJGTUWQCWLZJN-WOJBJXKFSA-N 1 2 357.498 3.118 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000504067632 503517699 /nfs/dbraw/zinc/51/76/99/503517699.db2.gz GZGZHCYSXLEJDR-UHFFFAOYSA-N 1 2 374.444 3.246 20 30 FGEDLO N#C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000499950395 503519776 /nfs/dbraw/zinc/51/97/76/503519776.db2.gz ZMLIRIKPWWPGTE-IBGZPJMESA-N 1 2 369.852 3.167 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512522375 503576803 /nfs/dbraw/zinc/57/68/03/503576803.db2.gz SPRMMMFVEPRUFR-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512522375 503576807 /nfs/dbraw/zinc/57/68/07/503576807.db2.gz SPRMMMFVEPRUFR-UHFFFAOYSA-N 1 2 370.497 3.167 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H](C)C2)cc1 ZINC000504539503 503585822 /nfs/dbraw/zinc/58/58/22/503585822.db2.gz RGWVBCIUTQIPGH-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H](C)C2)cc1 ZINC000504539503 503585826 /nfs/dbraw/zinc/58/58/26/503585826.db2.gz RGWVBCIUTQIPGH-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000509024178 503622913 /nfs/dbraw/zinc/62/29/13/503622913.db2.gz UJRPMPSRBPNTGW-OAQYLSRUSA-N 1 2 350.418 3.213 20 30 FGEDLO COc1ccc(C(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000509024178 503622916 /nfs/dbraw/zinc/62/29/16/503622916.db2.gz UJRPMPSRBPNTGW-OAQYLSRUSA-N 1 2 350.418 3.213 20 30 FGEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2nnc[nH]2)c2ccccn2)CC1 ZINC000517072835 503658703 /nfs/dbraw/zinc/65/87/03/503658703.db2.gz KDFIUVPBOUGUGN-UHYCVJNDSA-N 1 2 374.448 3.141 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3cc(-n4cc[nH+]c4)cs3)n2)c(F)c1 ZINC000543240063 503694200 /nfs/dbraw/zinc/69/42/00/503694200.db2.gz WRNBTQVSGSBXIZ-UHFFFAOYSA-N 1 2 364.409 3.164 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021259 503700841 /nfs/dbraw/zinc/70/08/41/503700841.db2.gz HXLWDMUSBWDNIU-UHFFFAOYSA-N 1 2 363.446 3.224 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533021259 503700848 /nfs/dbraw/zinc/70/08/48/503700848.db2.gz HXLWDMUSBWDNIU-UHFFFAOYSA-N 1 2 363.446 3.224 20 30 FGEDLO CNC(=O)C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000533059021 503717857 /nfs/dbraw/zinc/71/78/57/503717857.db2.gz WRWMRKJLCQSLAR-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO CNC(=O)C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000533059021 503717860 /nfs/dbraw/zinc/71/78/60/503717860.db2.gz WRWMRKJLCQSLAR-UHFFFAOYSA-N 1 2 361.367 3.325 20 30 FGEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000533117028 503737022 /nfs/dbraw/zinc/73/70/22/503737022.db2.gz KNLATKWMSUBPJV-QFIPXVFZSA-N 1 2 367.452 3.490 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000533342901 503811904 /nfs/dbraw/zinc/81/19/04/503811904.db2.gz VJWAUUSPEVDKTE-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533395200 503829082 /nfs/dbraw/zinc/82/90/82/503829082.db2.gz YYRLFBJGIMMZND-GFCCVEGCSA-N 1 2 355.825 3.303 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533395200 503829086 /nfs/dbraw/zinc/82/90/86/503829086.db2.gz YYRLFBJGIMMZND-GFCCVEGCSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)nc1 ZINC000517780854 503836020 /nfs/dbraw/zinc/83/60/20/503836020.db2.gz DYAYWICFGWJRBC-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO N#CCC1CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000543781731 503890608 /nfs/dbraw/zinc/89/06/08/503890608.db2.gz RFRKYFYHZDXMSJ-UHFFFAOYSA-N 1 2 365.481 3.351 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533681876 503920889 /nfs/dbraw/zinc/92/08/89/503920889.db2.gz HZEKQLZLOCOCGI-AZUAARDMSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533681876 503920896 /nfs/dbraw/zinc/92/08/96/503920896.db2.gz HZEKQLZLOCOCGI-AZUAARDMSA-N 1 2 371.843 3.455 20 30 FGEDLO CC(C)CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000530706710 504059150 /nfs/dbraw/zinc/05/91/50/504059150.db2.gz OHRAQZYMRNOXBP-UHFFFAOYSA-N 1 2 372.513 3.355 20 30 FGEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000530757278 504077931 /nfs/dbraw/zinc/07/79/31/504077931.db2.gz UGMLBOXCVIYHIV-INIZCTEOSA-N 1 2 369.450 3.002 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000544520517 504160539 /nfs/dbraw/zinc/16/05/39/504160539.db2.gz ZLDBZTCXGWKLFD-CABCVRRESA-N 1 2 372.444 3.424 20 30 FGEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000538703752 504333177 /nfs/dbraw/zinc/33/31/77/504333177.db2.gz BYIWGKWKUSQGOP-UHFFFAOYSA-N 1 2 373.453 3.470 20 30 FGEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2C1 ZINC000538703752 504333182 /nfs/dbraw/zinc/33/31/82/504333182.db2.gz BYIWGKWKUSQGOP-UHFFFAOYSA-N 1 2 373.453 3.470 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1COC)Cc1ccccc1F ZINC000531642465 504373446 /nfs/dbraw/zinc/37/34/46/504373446.db2.gz AJHBHNOALQHXOB-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1COC)Cc1ccccc1F ZINC000531642465 504373449 /nfs/dbraw/zinc/37/34/49/504373449.db2.gz AJHBHNOALQHXOB-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000538825539 504383487 /nfs/dbraw/zinc/38/34/87/504383487.db2.gz XAHYACXEKLTJBF-IBGZPJMESA-N 1 2 366.490 3.329 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548426547 504441237 /nfs/dbraw/zinc/44/12/37/504441237.db2.gz MCWWGXHAUFPINM-GASCZTMLSA-N 1 2 350.466 3.446 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548426547 504441241 /nfs/dbraw/zinc/44/12/41/504441241.db2.gz MCWWGXHAUFPINM-GASCZTMLSA-N 1 2 350.466 3.446 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cn1 ZINC000532097632 504533378 /nfs/dbraw/zinc/53/33/78/504533378.db2.gz BYIYKEOAVIRGGZ-UHFFFAOYSA-N 1 2 373.888 3.244 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cn1 ZINC000532097632 504533382 /nfs/dbraw/zinc/53/33/82/504533382.db2.gz BYIYKEOAVIRGGZ-UHFFFAOYSA-N 1 2 373.888 3.244 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187966 504717225 /nfs/dbraw/zinc/71/72/25/504717225.db2.gz ZKDPUQPAADLNCM-GUYCJALGSA-N 1 2 371.378 3.336 20 30 FGEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187966 504717229 /nfs/dbraw/zinc/71/72/29/504717229.db2.gz ZKDPUQPAADLNCM-GUYCJALGSA-N 1 2 371.378 3.336 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000565052051 504782290 /nfs/dbraw/zinc/78/22/90/504782290.db2.gz ULXQFPFMSJBZMZ-OAQYLSRUSA-N 1 2 367.497 3.044 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc(N)c1[N+](=O)[O-] ZINC000553147899 504838240 /nfs/dbraw/zinc/83/82/40/504838240.db2.gz YMNYZDZRGFQDBI-UHFFFAOYSA-N 1 2 371.828 3.024 20 30 FGEDLO Cn1cc(CNc2[nH+]c3c(cccc3Cl)n2CC(F)(F)F)cc1C#N ZINC000556338336 504848710 /nfs/dbraw/zinc/84/87/10/504848710.db2.gz NMDRIRMSZARYJC-UHFFFAOYSA-N 1 2 367.762 3.496 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000553455528 504919012 /nfs/dbraw/zinc/91/90/12/504919012.db2.gz WXUCMZGUMCOBFF-UHFFFAOYSA-N 1 2 368.472 3.346 20 30 FGEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000560181263 505012954 /nfs/dbraw/zinc/01/29/54/505012954.db2.gz UDEFSZFUHCFOAW-LBPRGKRZSA-N 1 2 373.482 3.093 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000553910056 505040482 /nfs/dbraw/zinc/04/04/82/505040482.db2.gz FPPJKPCJRIYPJG-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000553910056 505040486 /nfs/dbraw/zinc/04/04/86/505040486.db2.gz FPPJKPCJRIYPJG-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000566049252 505065265 /nfs/dbraw/zinc/06/52/65/505065265.db2.gz YOODDOFGKLQWST-SFHVURJKSA-N 1 2 367.497 3.113 20 30 FGEDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cnn1C ZINC000566049252 505065267 /nfs/dbraw/zinc/06/52/67/505065267.db2.gz YOODDOFGKLQWST-SFHVURJKSA-N 1 2 367.497 3.113 20 30 FGEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000554267946 505129820 /nfs/dbraw/zinc/12/98/20/505129820.db2.gz JKLWWTLYHKWQTQ-UHFFFAOYSA-N 1 2 364.367 3.480 20 30 FGEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000554267946 505129824 /nfs/dbraw/zinc/12/98/24/505129824.db2.gz JKLWWTLYHKWQTQ-UHFFFAOYSA-N 1 2 364.367 3.480 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000560721595 505169111 /nfs/dbraw/zinc/16/91/11/505169111.db2.gz HGSFRHUBAMSUTG-UHFFFAOYSA-N 1 2 357.841 3.380 20 30 FGEDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000557578061 505172998 /nfs/dbraw/zinc/17/29/98/505172998.db2.gz YXUOCPPMMRHZLB-UHFFFAOYSA-N 1 2 358.877 3.096 20 30 FGEDLO CC(C)n1ccnc1C[N@H+]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000557578061 505173001 /nfs/dbraw/zinc/17/30/01/505173001.db2.gz YXUOCPPMMRHZLB-UHFFFAOYSA-N 1 2 358.877 3.096 20 30 FGEDLO CC(C)n1cc[nH+]c1CN1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000557578061 505173004 /nfs/dbraw/zinc/17/30/04/505173004.db2.gz YXUOCPPMMRHZLB-UHFFFAOYSA-N 1 2 358.877 3.096 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2cn[nH]c2C)CC1)C(C)C ZINC000554497641 505188655 /nfs/dbraw/zinc/18/86/55/505188655.db2.gz FSJFGTJQMABGNH-HXUWFJFHSA-N 1 2 373.545 3.306 20 30 FGEDLO COC(=O)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558081673 505303114 /nfs/dbraw/zinc/30/31/14/505303114.db2.gz KFVDRHFJJSFCOH-UHFFFAOYSA-N 1 2 351.244 3.096 20 30 FGEDLO COCC[N@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(C#N)cc1 ZINC000566966238 505325638 /nfs/dbraw/zinc/32/56/38/505325638.db2.gz QTVWTJHHXLANTO-UHFFFAOYSA-N 1 2 361.449 3.096 20 30 FGEDLO COCC[N@@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(C#N)cc1 ZINC000566966238 505325643 /nfs/dbraw/zinc/32/56/43/505325643.db2.gz QTVWTJHHXLANTO-UHFFFAOYSA-N 1 2 361.449 3.096 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)ccn1 ZINC000567005895 505336221 /nfs/dbraw/zinc/33/62/21/505336221.db2.gz SMJBRDGVYVJZPA-AWEZNQCLSA-N 1 2 359.389 3.143 20 30 FGEDLO N#Cc1ccc(C[C@@H](C#N)c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000564222680 505356996 /nfs/dbraw/zinc/35/69/96/505356996.db2.gz GCYZCZGPYYLVQW-INIZCTEOSA-N 1 2 354.373 3.030 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000552202413 505427772 /nfs/dbraw/zinc/42/77/72/505427772.db2.gz VWGHLINMGBWNIU-UHFFFAOYSA-N 1 2 368.456 3.427 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000555422840 505429532 /nfs/dbraw/zinc/42/95/32/505429532.db2.gz JRRYISPGGCRFLQ-IBGZPJMESA-N 1 2 359.445 3.204 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000555422840 505429535 /nfs/dbraw/zinc/42/95/35/505429535.db2.gz JRRYISPGGCRFLQ-IBGZPJMESA-N 1 2 359.445 3.204 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000561782352 505436333 /nfs/dbraw/zinc/43/63/33/505436333.db2.gz UEHNQGXJGLWWRU-INIZCTEOSA-N 1 2 370.266 3.074 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000561782352 505436335 /nfs/dbraw/zinc/43/63/35/505436335.db2.gz UEHNQGXJGLWWRU-INIZCTEOSA-N 1 2 370.266 3.074 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C#N ZINC000599281633 506396291 /nfs/dbraw/zinc/39/62/91/506396291.db2.gz KZDBJFMQGZBWJM-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CCOCC1 ZINC000599387815 506438178 /nfs/dbraw/zinc/43/81/78/506438178.db2.gz SODDDQZEJNDDNS-GOSISDBHSA-N 1 2 373.884 3.182 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CCOCC1 ZINC000599387815 506438184 /nfs/dbraw/zinc/43/81/84/506438184.db2.gz SODDDQZEJNDDNS-GOSISDBHSA-N 1 2 373.884 3.182 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)CC2 ZINC000599421960 506450024 /nfs/dbraw/zinc/45/00/24/506450024.db2.gz KHJCSFIIAZDXQG-UKRRQHHQSA-N 1 2 362.355 3.154 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603229097 506462584 /nfs/dbraw/zinc/46/25/84/506462584.db2.gz WTHKVDOVKOZSHB-GOSISDBHSA-N 1 2 372.476 3.081 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603232425 506462723 /nfs/dbraw/zinc/46/27/23/506462723.db2.gz FDLOCBCEOQXCHS-GOSISDBHSA-N 1 2 372.476 3.081 20 30 FGEDLO CCSc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000599454813 506462935 /nfs/dbraw/zinc/46/29/35/506462935.db2.gz CGHYCFRVIVFITG-HNNXBMFYSA-N 1 2 355.301 3.412 20 30 FGEDLO CCSc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000599454813 506462940 /nfs/dbraw/zinc/46/29/40/506462940.db2.gz CGHYCFRVIVFITG-HNNXBMFYSA-N 1 2 355.301 3.412 20 30 FGEDLO COCc1cc(C#N)ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000603269483 506471829 /nfs/dbraw/zinc/47/18/29/506471829.db2.gz UZGNYYMIRFRYFR-GOSISDBHSA-N 1 2 357.479 3.252 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000589195105 506479503 /nfs/dbraw/zinc/47/95/03/506479503.db2.gz LZCAASHGGVGZBY-KRWDZBQOSA-N 1 2 360.417 3.227 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cc(O)cc(C#N)c1 ZINC000589195106 506480354 /nfs/dbraw/zinc/48/03/54/506480354.db2.gz LZCAASHGGVGZBY-QGZVFWFLSA-N 1 2 360.417 3.227 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@]34CCCC[C@@H]3C4(F)F)CC2)cc1 ZINC000596658626 506516029 /nfs/dbraw/zinc/51/60/29/506516029.db2.gz YULARHASJVBMPI-ICSRJNTNSA-N 1 2 373.447 3.418 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1 ZINC000599624790 506536869 /nfs/dbraw/zinc/53/68/69/506536869.db2.gz YPYCDMBWNPTPRE-OAHLLOKOSA-N 1 2 365.424 3.452 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)cc1 ZINC000599624790 506536871 /nfs/dbraw/zinc/53/68/71/506536871.db2.gz YPYCDMBWNPTPRE-OAHLLOKOSA-N 1 2 365.424 3.452 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589433363 506546634 /nfs/dbraw/zinc/54/66/34/506546634.db2.gz GPAWQNWARCEXNP-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599659588 506560489 /nfs/dbraw/zinc/56/04/89/506560489.db2.gz JZRKRPUCALNGMJ-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599659588 506560494 /nfs/dbraw/zinc/56/04/94/506560494.db2.gz JZRKRPUCALNGMJ-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678305 506575178 /nfs/dbraw/zinc/57/51/78/506575178.db2.gz SHRYPEWUDIVKPY-ZDUSSCGKSA-N 1 2 354.841 3.186 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678305 506575183 /nfs/dbraw/zinc/57/51/83/506575183.db2.gz SHRYPEWUDIVKPY-ZDUSSCGKSA-N 1 2 354.841 3.186 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C2 ZINC000599677874 506575382 /nfs/dbraw/zinc/57/53/82/506575382.db2.gz QLXGLKHKGYFSCB-UHFFFAOYSA-N 1 2 371.387 3.351 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C2 ZINC000599677874 506575391 /nfs/dbraw/zinc/57/53/91/506575391.db2.gz QLXGLKHKGYFSCB-UHFFFAOYSA-N 1 2 371.387 3.351 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685260 506580929 /nfs/dbraw/zinc/58/09/29/506580929.db2.gz CJLMEMRNZRBHBP-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685260 506580934 /nfs/dbraw/zinc/58/09/34/506580934.db2.gz CJLMEMRNZRBHBP-CYBMUJFWSA-N 1 2 355.388 3.416 20 30 FGEDLO N#Cc1ncccc1N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000589558475 506586912 /nfs/dbraw/zinc/58/69/12/506586912.db2.gz LHXHMPIUGWSUFC-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000603745865 506609410 /nfs/dbraw/zinc/60/94/10/506609410.db2.gz USNPKDSTYLVERX-MBOZVWFJSA-N 1 2 354.498 3.210 20 30 FGEDLO Cc1cccc([C@@H](CNc2nc3c(cc2C#N)CCC3)[NH+]2CCOCC2)c1 ZINC000603854005 506635875 /nfs/dbraw/zinc/63/58/75/506635875.db2.gz QXDNZECSSMWQSJ-OAQYLSRUSA-N 1 2 362.477 3.236 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903269 506653330 /nfs/dbraw/zinc/65/33/30/506653330.db2.gz XQMIJCZENULFPP-BBRMVZONSA-N 1 2 367.453 3.073 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903269 506653335 /nfs/dbraw/zinc/65/33/35/506653335.db2.gz XQMIJCZENULFPP-BBRMVZONSA-N 1 2 367.453 3.073 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000603904774 506655514 /nfs/dbraw/zinc/65/55/14/506655514.db2.gz QHEUOHLCJXKTKT-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000603904774 506655518 /nfs/dbraw/zinc/65/55/18/506655518.db2.gz QHEUOHLCJXKTKT-KRWDZBQOSA-N 1 2 365.437 3.374 20 30 FGEDLO CC[C@@H](Nc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000608799669 506713471 /nfs/dbraw/zinc/71/34/71/506713471.db2.gz SIBXBBYIKIOAHA-OAQYLSRUSA-N 1 2 362.477 3.093 20 30 FGEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000608838806 506723382 /nfs/dbraw/zinc/72/33/82/506723382.db2.gz BCHVLBKYEYODMQ-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)CC2 ZINC000599983997 506737007 /nfs/dbraw/zinc/73/70/07/506737007.db2.gz ZRHCQBUKNMPTEY-AWEZNQCLSA-N 1 2 352.438 3.442 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000609099464 506775131 /nfs/dbraw/zinc/77/51/31/506775131.db2.gz SBAFNOIXRBEPID-FQEVSTJZSA-N 1 2 357.417 3.351 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000590290815 506782450 /nfs/dbraw/zinc/78/24/50/506782450.db2.gz CFRDUHOJDODVGI-UHFFFAOYSA-N 1 2 363.396 3.333 20 30 FGEDLO N#Cc1ccc(CCC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000590543991 506855942 /nfs/dbraw/zinc/85/59/42/506855942.db2.gz JVTZRKVDIFMNIN-UHFFFAOYSA-N 1 2 368.506 3.112 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000593992578 506870643 /nfs/dbraw/zinc/87/06/43/506870643.db2.gz CERAENJMZGNXCT-KRWDZBQOSA-N 1 2 365.452 3.220 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000609382601 506871865 /nfs/dbraw/zinc/87/18/65/506871865.db2.gz JHBJCWVCXNIBCG-ZDUSSCGKSA-N 1 2 364.434 3.166 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000609416927 506876682 /nfs/dbraw/zinc/87/66/82/506876682.db2.gz IDHYQLPZJWLHPM-QAPCUYQASA-N 1 2 374.916 3.029 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000609659785 506965496 /nfs/dbraw/zinc/96/54/96/506965496.db2.gz YCYPXBWBCHBEPR-KRWDZBQOSA-N 1 2 372.831 3.313 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C#N ZINC000590959066 507060753 /nfs/dbraw/zinc/06/07/53/507060753.db2.gz AVCSMAWZSQRNGR-CRAIPNDOSA-N 1 2 353.470 3.312 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590972396 507067074 /nfs/dbraw/zinc/06/70/74/507067074.db2.gz PSEKGWASUOLKHA-APWZRJJASA-N 1 2 370.497 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590972396 507067085 /nfs/dbraw/zinc/06/70/85/507067085.db2.gz PSEKGWASUOLKHA-APWZRJJASA-N 1 2 370.497 3.141 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cs1 ZINC000591025910 507083735 /nfs/dbraw/zinc/08/37/35/507083735.db2.gz GQQBWACLACIWHY-KRWDZBQOSA-N 1 2 373.453 3.056 20 30 FGEDLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000610091408 507096465 /nfs/dbraw/zinc/09/64/65/507096465.db2.gz SVHADQXZXATWFR-UHFFFAOYSA-N 1 2 365.905 3.439 20 30 FGEDLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000610091408 507096473 /nfs/dbraw/zinc/09/64/73/507096473.db2.gz SVHADQXZXATWFR-UHFFFAOYSA-N 1 2 365.905 3.439 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)[nH+]c12 ZINC000610461856 507249831 /nfs/dbraw/zinc/24/98/31/507249831.db2.gz MIYSNBXBORKPCI-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO N#CCc1ccccc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000601396631 507354692 /nfs/dbraw/zinc/35/46/92/507354692.db2.gz QFUFWNXWHYBLFL-UHFFFAOYSA-N 1 2 370.456 3.390 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000598468631 507437730 /nfs/dbraw/zinc/43/77/30/507437730.db2.gz LBFSBAGVVPIJNU-UHFFFAOYSA-N 1 2 364.405 3.321 20 30 FGEDLO CC(C)(C)c1csc([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589090 507507846 /nfs/dbraw/zinc/50/78/46/507507846.db2.gz CZAUDNRMGVOGIR-KGLIPLIRSA-N 1 2 351.516 3.115 20 30 FGEDLO CC(C)(C)c1csc([C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589090 507507851 /nfs/dbraw/zinc/50/78/51/507507851.db2.gz CZAUDNRMGVOGIR-KGLIPLIRSA-N 1 2 351.516 3.115 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c1C#N ZINC000592159735 507517470 /nfs/dbraw/zinc/51/74/70/507517470.db2.gz QKFBOJNUOXNUKX-UHFFFAOYSA-N 1 2 372.465 3.289 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195744 507534170 /nfs/dbraw/zinc/53/41/70/507534170.db2.gz URIZIGCMPNYHSN-UONOGXRCSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195744 507534178 /nfs/dbraw/zinc/53/41/78/507534178.db2.gz URIZIGCMPNYHSN-UONOGXRCSA-N 1 2 373.522 3.469 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)nc1 ZINC000595502968 507534573 /nfs/dbraw/zinc/53/45/73/507534573.db2.gz XVUJESLRXYXCPS-AWEZNQCLSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(F)c3OC(F)F)C2)nc1 ZINC000595502968 507534582 /nfs/dbraw/zinc/53/45/82/507534582.db2.gz XVUJESLRXYXCPS-AWEZNQCLSA-N 1 2 363.339 3.347 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196335 507535116 /nfs/dbraw/zinc/53/51/16/507535116.db2.gz VYPHGXQIXCQSAW-SJORKVTESA-N 1 2 373.472 3.494 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592196335 507535120 /nfs/dbraw/zinc/53/51/20/507535120.db2.gz VYPHGXQIXCQSAW-SJORKVTESA-N 1 2 373.472 3.494 20 30 FGEDLO CCOc1cncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000598670009 507542189 /nfs/dbraw/zinc/54/21/89/507542189.db2.gz GSGRPCMFPXQBPU-UHFFFAOYSA-N 1 2 373.460 3.222 20 30 FGEDLO C=CCCCCCN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000606916947 507555914 /nfs/dbraw/zinc/55/59/14/507555914.db2.gz BEVVPUUPBJDTQW-HXUWFJFHSA-N 1 2 359.514 3.448 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000595574354 507568974 /nfs/dbraw/zinc/56/89/74/507568974.db2.gz KBVJZRRKFIMMSU-IRXDYDNUSA-N 1 2 369.481 3.319 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000595574354 507568977 /nfs/dbraw/zinc/56/89/77/507568977.db2.gz KBVJZRRKFIMMSU-IRXDYDNUSA-N 1 2 369.481 3.319 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595611262 507590225 /nfs/dbraw/zinc/59/02/25/507590225.db2.gz IMIVUBSXAWTKMW-SJORKVTESA-N 1 2 370.497 3.121 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595611262 507590228 /nfs/dbraw/zinc/59/02/28/507590228.db2.gz IMIVUBSXAWTKMW-SJORKVTESA-N 1 2 370.497 3.121 20 30 FGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1C ZINC000595632233 507604019 /nfs/dbraw/zinc/60/40/19/507604019.db2.gz CGNQSUVKEGMRFK-MRXNPFEDSA-N 1 2 368.506 3.386 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1C#N ZINC000585754903 507616715 /nfs/dbraw/zinc/61/67/15/507616715.db2.gz OAWAQDCTHXPJHV-UHFFFAOYSA-N 1 2 360.465 3.464 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC)c1 ZINC000595683401 507626397 /nfs/dbraw/zinc/62/63/97/507626397.db2.gz IQVGPNRHRCZZFC-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000611347406 507632355 /nfs/dbraw/zinc/63/23/55/507632355.db2.gz ABFDBAYXZIHISF-INIZCTEOSA-N 1 2 366.465 3.216 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000611347406 507632360 /nfs/dbraw/zinc/63/23/60/507632360.db2.gz ABFDBAYXZIHISF-INIZCTEOSA-N 1 2 366.465 3.216 20 30 FGEDLO C=CCCSCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000595723825 507648742 /nfs/dbraw/zinc/64/87/42/507648742.db2.gz GNTKTLKGAPTCDI-UHFFFAOYSA-N 1 2 350.532 3.394 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595786223 507683608 /nfs/dbraw/zinc/68/36/08/507683608.db2.gz GVZKPSHGRXLBKW-KBXCAEBGSA-N 1 2 359.470 3.376 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000595837445 507707995 /nfs/dbraw/zinc/70/79/95/507707995.db2.gz GWTZPMMARSJPAE-GOSISDBHSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000595837445 507708001 /nfs/dbraw/zinc/70/80/01/507708001.db2.gz GWTZPMMARSJPAE-GOSISDBHSA-N 1 2 365.399 3.432 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595838682 507708669 /nfs/dbraw/zinc/70/86/69/507708669.db2.gz CVKCYRBYWDLLCS-AOMKIAJQSA-N 1 2 365.477 3.431 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC000595838682 507708676 /nfs/dbraw/zinc/70/86/76/507708676.db2.gz CVKCYRBYWDLLCS-AOMKIAJQSA-N 1 2 365.477 3.431 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC=CCC2)c1C#N ZINC000611517316 507717509 /nfs/dbraw/zinc/71/75/09/507717509.db2.gz PUPNTDNWRVLMGE-UHFFFAOYSA-N 1 2 352.413 3.305 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC=CCC2)c1C#N ZINC000611517316 507717516 /nfs/dbraw/zinc/71/75/16/507717516.db2.gz PUPNTDNWRVLMGE-UHFFFAOYSA-N 1 2 352.413 3.305 20 30 FGEDLO CC(C)(C)C(F)(F)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595859222 507717655 /nfs/dbraw/zinc/71/76/55/507717655.db2.gz XUWVFXJBJBJHLQ-UHFFFAOYSA-N 1 2 364.440 3.067 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NCc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000611560556 507739459 /nfs/dbraw/zinc/73/94/59/507739459.db2.gz JWBBJTRZXAFNRI-SFHVURJKSA-N 1 2 365.368 3.218 20 30 FGEDLO CC(C)C[C@@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000611565360 507741798 /nfs/dbraw/zinc/74/17/98/507741798.db2.gz RIKHJFABDRZBRD-KRWDZBQOSA-N 1 2 366.465 3.211 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)C[C@@H](C)O1 ZINC000611566444 507741936 /nfs/dbraw/zinc/74/19/36/507741936.db2.gz KWISTKXMVAXFJP-XLMAVXFVSA-N 1 2 356.470 3.110 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000611566442 507742032 /nfs/dbraw/zinc/74/20/32/507742032.db2.gz KWISTKXMVAXFJP-KYHPRHEASA-N 1 2 356.470 3.110 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000611566442 507742041 /nfs/dbraw/zinc/74/20/41/507742041.db2.gz KWISTKXMVAXFJP-KYHPRHEASA-N 1 2 356.470 3.110 20 30 FGEDLO Cc1noc(C)c1CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328628076 526477704 /nfs/dbraw/zinc/47/77/04/526477704.db2.gz GXYDZIOBOCKJTO-KBPBESRZSA-N 1 2 351.447 3.465 20 30 FGEDLO Cc1noc(C)c1CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328628076 526477709 /nfs/dbraw/zinc/47/77/09/526477709.db2.gz GXYDZIOBOCKJTO-KBPBESRZSA-N 1 2 351.447 3.465 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)Nc1sccc1C#N)CCCC2 ZINC000275553620 527092668 /nfs/dbraw/zinc/09/26/68/527092668.db2.gz DNQSZBZUBAHZDV-INIZCTEOSA-N 1 2 369.494 3.008 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182666 700227136 /nfs/dbraw/zinc/22/71/36/700227136.db2.gz HJZBAEUEZNXRDU-QJPTWQEYSA-N 1 2 360.342 3.472 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000079237278 700296448 /nfs/dbraw/zinc/29/64/48/700296448.db2.gz GFSXGGKMOJCLOJ-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1ccco1 ZINC000123810787 700710294 /nfs/dbraw/zinc/71/02/94/700710294.db2.gz MLWBPTIIJIFUAM-AWEZNQCLSA-N 1 2 360.483 3.318 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1ccco1 ZINC000123810787 700710295 /nfs/dbraw/zinc/71/02/95/700710295.db2.gz MLWBPTIIJIFUAM-AWEZNQCLSA-N 1 2 360.483 3.318 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000132810765 700831718 /nfs/dbraw/zinc/83/17/18/700831718.db2.gz VLBAVYIMSSRVNL-PMACEKPBSA-N 1 2 355.869 3.256 20 30 FGEDLO C=C(Br)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000381622317 713979072 /nfs/dbraw/zinc/97/90/72/713979072.db2.gz DGGLFDWYIGBKQT-LLVKDONJSA-N 1 2 353.029 3.120 20 30 FGEDLO C#CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247208764 713637067 /nfs/dbraw/zinc/63/70/67/713637067.db2.gz YTQWPSUHFQWDRQ-IAGOWNOFSA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247208764 713637069 /nfs/dbraw/zinc/63/70/69/713637069.db2.gz YTQWPSUHFQWDRQ-IAGOWNOFSA-N 1 2 351.853 3.327 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)[nH+]1 ZINC000521724236 714144270 /nfs/dbraw/zinc/14/42/70/714144270.db2.gz XXYFPRBDGUPEQW-LLVKDONJSA-N 1 2 373.507 3.180 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615504176 714531923 /nfs/dbraw/zinc/53/19/23/714531923.db2.gz LJGNHWIKXRUZIH-IBGZPJMESA-N 1 2 360.889 3.033 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000615504176 714531927 /nfs/dbraw/zinc/53/19/27/714531927.db2.gz LJGNHWIKXRUZIH-IBGZPJMESA-N 1 2 360.889 3.033 20 30 FGEDLO N#Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000619766007 714868767 /nfs/dbraw/zinc/86/87/67/714868767.db2.gz MQFRTYDDUOEEGT-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO C[C@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000619827771 714873725 /nfs/dbraw/zinc/87/37/25/714873725.db2.gz CWSKOESJEDYXEC-GUYCJALGSA-N 1 2 357.845 3.201 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000779801650 724427966 /nfs/dbraw/zinc/42/79/66/724427966.db2.gz VOROJNRSHWUDPM-LBPRGKRZSA-N 1 2 358.877 3.094 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](NC(=O)CC)C2)cc1OC ZINC000628159276 716118061 /nfs/dbraw/zinc/11/80/61/716118061.db2.gz MFCSEOAREHFLMV-HNNXBMFYSA-N 1 2 366.889 3.404 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](NC(=O)CC)C2)cc1OC ZINC000628159276 716118063 /nfs/dbraw/zinc/11/80/63/716118063.db2.gz MFCSEOAREHFLMV-HNNXBMFYSA-N 1 2 366.889 3.404 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000645039762 718178061 /nfs/dbraw/zinc/17/80/61/718178061.db2.gz CUQHEGMSUJEICT-UHFFFAOYSA-N 1 2 363.933 3.272 20 30 FGEDLO C=C(C)CN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000645039762 718178063 /nfs/dbraw/zinc/17/80/63/718178063.db2.gz CUQHEGMSUJEICT-UHFFFAOYSA-N 1 2 363.933 3.272 20 30 FGEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1F ZINC000804416426 724513227 /nfs/dbraw/zinc/51/32/27/724513227.db2.gz FUWLWAKQXSRTHG-QGZVFWFLSA-N 1 2 355.800 3.468 20 30 FGEDLO C=CCCn1cc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)nn1 ZINC000656775327 719468769 /nfs/dbraw/zinc/46/87/69/719468769.db2.gz PRTXTOCMANJOBO-UHFFFAOYSA-N 1 2 359.327 3.141 20 30 FGEDLO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000782947639 724711199 /nfs/dbraw/zinc/71/11/99/724711199.db2.gz FDQIDXJAMKFOTO-UHFFFAOYSA-N 1 2 350.172 3.194 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)c1C#N ZINC000685596810 722393068 /nfs/dbraw/zinc/39/30/68/722393068.db2.gz CDJUCNQCLNKPPN-UHFFFAOYSA-N 1 2 354.479 3.027 20 30 FGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000726426168 722434031 /nfs/dbraw/zinc/43/40/31/722434031.db2.gz KHMMLCYHUFVRAN-UHFFFAOYSA-N 1 2 359.423 3.256 20 30 FGEDLO Fc1ccc(CNC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000730566069 722469277 /nfs/dbraw/zinc/46/92/77/722469277.db2.gz RHPPTXMOGPHNFM-UHFFFAOYSA-N 1 2 353.426 3.010 20 30 FGEDLO COc1ccc(CC(N)=[NH+]OCc2cc(Cl)ccc2OCC#N)cc1 ZINC000735302751 722514649 /nfs/dbraw/zinc/51/46/49/722514649.db2.gz DVDCIIKCPBPUIV-UHFFFAOYSA-N 1 2 359.813 3.492 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000735363956 722515906 /nfs/dbraw/zinc/51/59/06/722515906.db2.gz HTGOUVYZPGBGBS-UHFFFAOYSA-N 1 2 357.841 3.270 20 30 FGEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000749276366 722722913 /nfs/dbraw/zinc/72/29/13/722722913.db2.gz VXWCPXGQIHTLHK-FQEVSTJZSA-N 1 2 356.853 3.085 20 30 FGEDLO N#Cc1ccc(NC(=S)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000753676337 722909106 /nfs/dbraw/zinc/90/91/06/722909106.db2.gz NMSGGWDZJWUEGL-AWEZNQCLSA-N 1 2 357.870 3.172 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903732 722947751 /nfs/dbraw/zinc/94/77/51/722947751.db2.gz VFZFPLQKFMWTOJ-ZWKOTPCHSA-N 1 2 357.816 3.031 20 30 FGEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000754903732 722947752 /nfs/dbraw/zinc/94/77/52/722947752.db2.gz VFZFPLQKFMWTOJ-ZWKOTPCHSA-N 1 2 357.816 3.031 20 30 FGEDLO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(Br)c1O ZINC000760637881 723074498 /nfs/dbraw/zinc/07/44/98/723074498.db2.gz MTANHOAFNCDJHB-UHFFFAOYSA-N 1 2 365.202 3.464 20 30 FGEDLO COc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc(OC)c1OC ZINC000794689664 723541162 /nfs/dbraw/zinc/54/11/62/723541162.db2.gz CCOYRWYCGRWVPM-SREVYHEPSA-N 1 2 362.451 3.127 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)s1 ZINC000794707082 723541961 /nfs/dbraw/zinc/54/19/61/723541961.db2.gz JIRMVWHNGOYGBU-VOTSOKGWSA-N 1 2 357.435 3.057 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(Br)ncc2F)s1 ZINC000794710901 723542156 /nfs/dbraw/zinc/54/21/56/723542156.db2.gz KHINHTIPSCWHGN-ARJAWSKDSA-N 1 2 370.247 3.397 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000767098277 723606729 /nfs/dbraw/zinc/60/67/29/723606729.db2.gz KGVCVEZKKDQFGY-NVXWUHKLSA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000767098277 723606731 /nfs/dbraw/zinc/60/67/31/723606731.db2.gz KGVCVEZKKDQFGY-NVXWUHKLSA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000767098273 723606791 /nfs/dbraw/zinc/60/67/91/723606791.db2.gz KGVCVEZKKDQFGY-DOTOQJQBSA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000767098273 723606793 /nfs/dbraw/zinc/60/67/93/723606793.db2.gz KGVCVEZKKDQFGY-DOTOQJQBSA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000767797056 723634626 /nfs/dbraw/zinc/63/46/26/723634626.db2.gz QKENVOJFGRQDTD-UHFFFAOYSA-N 1 2 373.653 3.023 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796557051 723643587 /nfs/dbraw/zinc/64/35/87/723643587.db2.gz BBXQQNIYWCNWDJ-WMZOPIPTSA-N 1 2 350.846 3.012 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@]2(CCOC2)O1 ZINC000796557051 723643588 /nfs/dbraw/zinc/64/35/88/723643588.db2.gz BBXQQNIYWCNWDJ-WMZOPIPTSA-N 1 2 350.846 3.012 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773664889 723812245 /nfs/dbraw/zinc/81/22/45/723812245.db2.gz HKTHROWNLRPALZ-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773664889 723812248 /nfs/dbraw/zinc/81/22/48/723812248.db2.gz HKTHROWNLRPALZ-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO CC(C)(C#N)CC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000797524027 723830103 /nfs/dbraw/zinc/83/01/03/723830103.db2.gz YFQUSDBETALBBF-UHFFFAOYSA-N 1 2 358.305 3.129 20 30 FGEDLO N#Cc1cccn(C[NH+]2CCC(c3ccc(Br)cc3)CC2)c1=O ZINC000799943549 724116445 /nfs/dbraw/zinc/11/64/45/724116445.db2.gz KFBYSIJSTIBODJ-UHFFFAOYSA-N 1 2 372.266 3.320 20 30 FGEDLO C#C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)cc1F ZINC000805131073 725051520 /nfs/dbraw/zinc/05/15/20/725051520.db2.gz FMGXPHURPSBVDS-MRXNPFEDSA-N 1 2 360.820 3.350 20 30 FGEDLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000805785369 725095275 /nfs/dbraw/zinc/09/52/75/725095275.db2.gz HFDITUVNKPRZCC-RBOXIYTFSA-N 1 2 353.388 3.144 20 30 FGEDLO C=CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806081352 725115040 /nfs/dbraw/zinc/11/50/40/725115040.db2.gz HWFFKKRTKBQSHE-RTBURBONSA-N 1 2 351.535 3.408 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nonc2C)cc1OC ZINC000809744400 725264346 /nfs/dbraw/zinc/26/43/46/725264346.db2.gz JQMJAZHPFBLUAM-UHFFFAOYSA-N 1 2 368.231 3.004 20 30 FGEDLO CC(C)[C@H](CC[N@H+](C)Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000811468120 725367607 /nfs/dbraw/zinc/36/76/07/725367607.db2.gz ZWNBRUGVIXAHGE-AWEZNQCLSA-N 1 2 352.504 3.386 20 30 FGEDLO CC(C)[C@H](CC[N@@H+](C)Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000811468120 725367608 /nfs/dbraw/zinc/36/76/08/725367608.db2.gz ZWNBRUGVIXAHGE-AWEZNQCLSA-N 1 2 352.504 3.386 20 30 FGEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(N)c1 ZINC000814935641 727012541 /nfs/dbraw/zinc/01/25/41/727012541.db2.gz UHLNPLHBZWGUEV-UHFFFAOYSA-N 1 2 366.874 3.009 20 30 FGEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cnc(CCc2ccccc2)s1 ZINC000834967240 729848403 /nfs/dbraw/zinc/84/84/03/729848403.db2.gz ZJKHCMYJCFKTPS-CALCHBBNSA-N 1 2 353.495 3.122 20 30 FGEDLO Fc1cccc(F)c1-c1ncc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)s1 ZINC000834966674 729848464 /nfs/dbraw/zinc/84/84/64/729848464.db2.gz REAVALRICBMXCF-KBPBESRZSA-N 1 2 361.421 3.282 20 30 FGEDLO CCN(CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)CC(F)(F)F ZINC000852331529 731570927 /nfs/dbraw/zinc/57/09/27/731570927.db2.gz KDWGOQPTLVWRGV-QGZVFWFLSA-N 1 2 354.420 3.213 20 30 FGEDLO CCN(CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)CC(F)(F)F ZINC000852331529 731570928 /nfs/dbraw/zinc/57/09/28/731570928.db2.gz KDWGOQPTLVWRGV-QGZVFWFLSA-N 1 2 354.420 3.213 20 30 FGEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000852752443 731629883 /nfs/dbraw/zinc/62/98/83/731629883.db2.gz YYBGZPZNBBIQQT-UHFFFAOYSA-N 1 2 357.479 3.029 20 30 FGEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000852752443 731629886 /nfs/dbraw/zinc/62/98/86/731629886.db2.gz YYBGZPZNBBIQQT-UHFFFAOYSA-N 1 2 357.479 3.029 20 30 FGEDLO COC(=O)c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1C ZINC000853398321 731700538 /nfs/dbraw/zinc/70/05/38/731700538.db2.gz XRUZQCFEWMVYKI-UHFFFAOYSA-N 1 2 359.451 3.126 20 30 FGEDLO N#Cc1c[nH]c2cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)ccc12 ZINC000864561598 733077121 /nfs/dbraw/zinc/07/71/21/733077121.db2.gz ABLKLKIHCNVDDV-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO C=CCC[C@H]([NH2+]Cc1c(I)cnn1C)c1ccco1 ZINC000866631073 733377860 /nfs/dbraw/zinc/37/78/60/733377860.db2.gz DHQGNNRMPZLBMZ-LBPRGKRZSA-N 1 2 371.222 3.415 20 30 FGEDLO COc1cc(CC2C[NH+](Cc3cc(C#N)cnc3Cl)C2)cc(OC)c1 ZINC000877580535 736687953 /nfs/dbraw/zinc/68/79/53/736687953.db2.gz MUVJXJAMQYKSMW-UHFFFAOYSA-N 1 2 357.841 3.298 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000877745460 736713411 /nfs/dbraw/zinc/71/34/11/736713411.db2.gz VXEFHSMUTKDUNO-GOSISDBHSA-N 1 2 354.479 3.188 20 30 FGEDLO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000880008118 737097946 /nfs/dbraw/zinc/09/79/46/737097946.db2.gz QEFTVBRAKUIILJ-ZDUSSCGKSA-N 1 2 360.870 3.405 20 30 FGEDLO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000880008118 737097953 /nfs/dbraw/zinc/09/79/53/737097953.db2.gz QEFTVBRAKUIILJ-ZDUSSCGKSA-N 1 2 360.870 3.405 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278588 739238585 /nfs/dbraw/zinc/23/85/85/739238585.db2.gz DDWBMSCFROFBMI-QWHCGFSZSA-N 1 2 354.376 3.077 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)CCC1 ZINC000886278588 739238587 /nfs/dbraw/zinc/23/85/87/739238587.db2.gz DDWBMSCFROFBMI-QWHCGFSZSA-N 1 2 354.376 3.077 20 30 FGEDLO Cc1nc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc[nH+]1 ZINC000896392501 742544465 /nfs/dbraw/zinc/54/44/65/742544465.db2.gz GEUQIEUKUPFCAI-YUMQZZPRSA-N 1 2 361.236 3.392 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000897633257 742697691 /nfs/dbraw/zinc/69/76/91/742697691.db2.gz YWVZEZURRKVGIW-UHFFFAOYSA-N 1 2 357.439 3.203 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940901377 762168369 /nfs/dbraw/zinc/16/83/69/762168369.db2.gz NLEOGRAKGMUTCQ-CKEIUWERSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940901377 762168372 /nfs/dbraw/zinc/16/83/72/762168372.db2.gz NLEOGRAKGMUTCQ-CKEIUWERSA-N 1 2 355.320 3.302 20 30 FGEDLO CC(=[NH+]NC(=S)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000915928182 758006123 /nfs/dbraw/zinc/00/61/23/758006123.db2.gz UCMGGRMBJOLJAD-UHFFFAOYSA-N 1 2 360.527 3.044 20 30 FGEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927268565 759939298 /nfs/dbraw/zinc/93/92/98/759939298.db2.gz ZAGFNQSDYIDRGP-MWLCHTKSSA-N 1 2 373.272 3.270 20 30 FGEDLO FC1(F)[C@H]2C[N@H+](Cc3ccno3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932948055 761283533 /nfs/dbraw/zinc/28/35/33/761283533.db2.gz JCUDFPQKFVEBGU-OCAPTIKFSA-N 1 2 350.209 3.277 20 30 FGEDLO FC1(F)[C@H]2C[N@@H+](Cc3ccno3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932948055 761283539 /nfs/dbraw/zinc/28/35/39/761283539.db2.gz JCUDFPQKFVEBGU-OCAPTIKFSA-N 1 2 350.209 3.277 20 30 FGEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778032 761472205 /nfs/dbraw/zinc/47/22/05/761472205.db2.gz IPWHTZIWMUQMAL-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778032 761472209 /nfs/dbraw/zinc/47/22/09/761472209.db2.gz IPWHTZIWMUQMAL-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778031 761472358 /nfs/dbraw/zinc/47/23/58/761472358.db2.gz IPWHTZIWMUQMAL-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933778031 761472364 /nfs/dbraw/zinc/47/23/64/761472364.db2.gz IPWHTZIWMUQMAL-GFCCVEGCSA-N 1 2 359.451 3.096 20 30 FGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961710445 762750059 /nfs/dbraw/zinc/75/00/59/762750059.db2.gz UPAMTMNCIMUJAE-KLBVCGFUSA-N 1 2 356.897 3.174 20 30 FGEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961710445 762750065 /nfs/dbraw/zinc/75/00/65/762750065.db2.gz UPAMTMNCIMUJAE-KLBVCGFUSA-N 1 2 356.897 3.174 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000970447367 762875071 /nfs/dbraw/zinc/87/50/71/762875071.db2.gz PIKFIFHJGHLRNW-VMGRFDJRSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001006126427 765511679 /nfs/dbraw/zinc/51/16/79/765511679.db2.gz FBZCFAZOUZZOGP-TZCWYCDXSA-N 1 2 361.313 3.209 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001007994477 765633014 /nfs/dbraw/zinc/63/30/14/765633014.db2.gz GGVFYOXPZVIYTH-SLYNCCJLSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1CCC2 ZINC001007994477 765633017 /nfs/dbraw/zinc/63/30/17/765633017.db2.gz GGVFYOXPZVIYTH-SLYNCCJLSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001024704332 766063426 /nfs/dbraw/zinc/06/34/26/766063426.db2.gz KMGALPXKERSCIF-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001024704332 766063443 /nfs/dbraw/zinc/06/34/43/766063443.db2.gz KMGALPXKERSCIF-OTWHNJEPSA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001028045275 766111457 /nfs/dbraw/zinc/11/14/57/766111457.db2.gz CKPGRFZCGTXTGC-CWRNSKLLSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001028045275 766111462 /nfs/dbraw/zinc/11/14/62/766111462.db2.gz CKPGRFZCGTXTGC-CWRNSKLLSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001028192693 766118895 /nfs/dbraw/zinc/11/88/95/766118895.db2.gz JXKCQRFPRHUABH-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001028192693 766118898 /nfs/dbraw/zinc/11/88/98/766118898.db2.gz JXKCQRFPRHUABH-DZKIICNBSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001032039744 766193047 /nfs/dbraw/zinc/19/30/47/766193047.db2.gz ANVKJUKWGRXEAO-RDJZCZTQSA-N 1 2 368.930 3.321 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001046601314 766594691 /nfs/dbraw/zinc/59/46/91/766594691.db2.gz BFNVWWFDDOFERE-SNUQEOBHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001046601314 766594700 /nfs/dbraw/zinc/59/47/00/766594700.db2.gz BFNVWWFDDOFERE-SNUQEOBHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CCO[C@H]3CC)cccc2C1 ZINC001051294697 766881844 /nfs/dbraw/zinc/88/18/44/766881844.db2.gz OHGRMOOXEJLIIZ-MOPGFXCFSA-N 1 2 362.901 3.229 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCO[C@H]3CC)cccc2C1 ZINC001051294697 766881850 /nfs/dbraw/zinc/88/18/50/766881850.db2.gz OHGRMOOXEJLIIZ-MOPGFXCFSA-N 1 2 362.901 3.229 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000579563942 505576189 /nfs/dbraw/zinc/57/61/89/505576189.db2.gz HTHGKLNFIYHJLC-CQSZACIVSA-N 1 2 359.426 3.410 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000579563942 505576190 /nfs/dbraw/zinc/57/61/90/505576190.db2.gz HTHGKLNFIYHJLC-CQSZACIVSA-N 1 2 359.426 3.410 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)c1C#N ZINC000571008160 505631414 /nfs/dbraw/zinc/63/14/14/505631414.db2.gz OOZJYYWVUFLXOW-UHFFFAOYSA-N 1 2 362.886 3.178 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000577052939 505653390 /nfs/dbraw/zinc/65/33/90/505653390.db2.gz XIYIYBMBLDJEER-HNNXBMFYSA-N 1 2 371.359 3.136 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000577052939 505653395 /nfs/dbraw/zinc/65/33/95/505653395.db2.gz XIYIYBMBLDJEER-HNNXBMFYSA-N 1 2 371.359 3.136 20 30 FGEDLO COC(=O)c1ccc(NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c(C#N)n1 ZINC000571178824 505673046 /nfs/dbraw/zinc/67/30/46/505673046.db2.gz QZQLMDOIMCLJOV-UHFFFAOYSA-N 1 2 361.405 3.345 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080964177 493801586 /nfs/dbraw/zinc/80/15/86/493801586.db2.gz KYIHSCOABTYMCA-MRXNPFEDSA-N 1 2 367.449 3.168 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080964177 493801587 /nfs/dbraw/zinc/80/15/87/493801587.db2.gz KYIHSCOABTYMCA-MRXNPFEDSA-N 1 2 367.449 3.168 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 ZINC000057907534 493814176 /nfs/dbraw/zinc/81/41/76/493814176.db2.gz WMYMXRILTYMOQM-INIZCTEOSA-N 1 2 368.462 3.254 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081018923 493814976 /nfs/dbraw/zinc/81/49/76/493814976.db2.gz FYHJEPXMCJNMEA-AWEZNQCLSA-N 1 2 356.857 3.069 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076094607 493821081 /nfs/dbraw/zinc/82/10/81/493821081.db2.gz RWGZYZSDLJXVOS-UHFFFAOYSA-N 1 2 366.387 3.386 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)[C@H]1CCCN(c3cccc[nH+]3)C1)CCC2 ZINC000058030119 493822069 /nfs/dbraw/zinc/82/20/69/493822069.db2.gz IWFVQFLRZCYKFM-ZDUSSCGKSA-N 1 2 352.463 3.359 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000058453493 493856138 /nfs/dbraw/zinc/85/61/38/493856138.db2.gz HEEHYWBFUAUWDE-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000030296716 493885267 /nfs/dbraw/zinc/88/52/67/493885267.db2.gz QSTGRTKEBQXMGE-UHFFFAOYSA-N 1 2 367.449 3.185 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000050107750 493898168 /nfs/dbraw/zinc/89/81/68/493898168.db2.gz XEECBBCZPPGGFP-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO N#Cc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000076708709 493956120 /nfs/dbraw/zinc/95/61/20/493956120.db2.gz DLLKDUXAQWNHEQ-UHFFFAOYSA-N 1 2 359.389 3.036 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(Br)s1 ZINC000588978752 506403067 /nfs/dbraw/zinc/40/30/67/506403067.db2.gz AUFNSAJFVPBIFQ-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(Br)s1 ZINC000588978752 506403074 /nfs/dbraw/zinc/40/30/74/506403074.db2.gz AUFNSAJFVPBIFQ-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000077190780 494029878 /nfs/dbraw/zinc/02/98/78/494029878.db2.gz MPXZPWKSUBUNBG-KBPBESRZSA-N 1 2 360.421 3.254 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000063297893 494041031 /nfs/dbraw/zinc/04/10/31/494041031.db2.gz KFTFVGQCXFYBBZ-UHFFFAOYSA-N 1 2 364.405 3.099 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000063297893 494041037 /nfs/dbraw/zinc/04/10/37/494041037.db2.gz KFTFVGQCXFYBBZ-UHFFFAOYSA-N 1 2 364.405 3.099 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000070060056 494041572 /nfs/dbraw/zinc/04/15/72/494041572.db2.gz LIXKYGHRBZKFRN-UHFFFAOYSA-N 1 2 372.513 3.196 20 30 FGEDLO CCSc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000052960516 494079278 /nfs/dbraw/zinc/07/92/78/494079278.db2.gz ODCDWNKTAMOGTO-UHFFFAOYSA-N 1 2 366.490 3.023 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC000063754360 494084655 /nfs/dbraw/zinc/08/46/55/494084655.db2.gz HSKWEXLVCFCNDE-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC000063754360 494084659 /nfs/dbraw/zinc/08/46/59/494084659.db2.gz HSKWEXLVCFCNDE-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO N#Cc1ccc(OCCNc2ccc([NH+]3CCCCC3)cc2C(N)=O)cc1 ZINC000011010327 494168668 /nfs/dbraw/zinc/16/86/68/494168668.db2.gz OBPMZZPDYXOSGF-UHFFFAOYSA-N 1 2 364.449 3.138 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000072724625 494241587 /nfs/dbraw/zinc/24/15/87/494241587.db2.gz RSXWBYFWIQEEKQ-UHFFFAOYSA-N 1 2 361.511 3.064 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1 ZINC000072978947 494297695 /nfs/dbraw/zinc/29/76/95/494297695.db2.gz COFCIOXXKCRMOM-IBGZPJMESA-N 1 2 373.497 3.079 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2CC(C)C)cc1 ZINC000072978947 494297699 /nfs/dbraw/zinc/29/76/99/494297699.db2.gz COFCIOXXKCRMOM-IBGZPJMESA-N 1 2 373.497 3.079 20 30 FGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000078519416 494312430 /nfs/dbraw/zinc/31/24/30/494312430.db2.gz WIBJOQGZBNGQJJ-MRXNPFEDSA-N 1 2 353.466 3.499 20 30 FGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000078519416 494312431 /nfs/dbraw/zinc/31/24/31/494312431.db2.gz WIBJOQGZBNGQJJ-MRXNPFEDSA-N 1 2 353.466 3.499 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2CC(C)C)c1C ZINC000073167054 494331562 /nfs/dbraw/zinc/33/15/62/494331562.db2.gz QJMTZXSJUCVYAD-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2CC(C)C)c1C ZINC000073167054 494331564 /nfs/dbraw/zinc/33/15/64/494331564.db2.gz QJMTZXSJUCVYAD-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO N#CCOc1cccc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000089651415 494338904 /nfs/dbraw/zinc/33/89/04/494338904.db2.gz DOUJCNZIHFGQGP-UHFFFAOYSA-N 1 2 370.478 3.213 20 30 FGEDLO CCOC(=O)c1ccc(C#N)c(SCc2cn3cccc(C)c3[nH+]2)n1 ZINC000044147328 494340121 /nfs/dbraw/zinc/34/01/21/494340121.db2.gz IVICYNXMXIGTHJ-UHFFFAOYSA-N 1 2 352.419 3.378 20 30 FGEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697140 494391470 /nfs/dbraw/zinc/39/14/70/494391470.db2.gz XLMCPGXLKACHOZ-NRFANRHFSA-N 1 2 374.444 3.464 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000066899917 494435006 /nfs/dbraw/zinc/43/50/06/494435006.db2.gz JFBBZBBDXZQKLF-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000066899917 494435009 /nfs/dbraw/zinc/43/50/09/494435009.db2.gz JFBBZBBDXZQKLF-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(OC)cc1 ZINC000079391030 494445217 /nfs/dbraw/zinc/44/52/17/494445217.db2.gz VWKXXZBDMPSNMR-UHFFFAOYSA-N 1 2 367.449 3.280 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(OC)cc1 ZINC000079391030 494445221 /nfs/dbraw/zinc/44/52/21/494445221.db2.gz VWKXXZBDMPSNMR-UHFFFAOYSA-N 1 2 367.449 3.280 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225925 494506375 /nfs/dbraw/zinc/50/63/75/494506375.db2.gz UGYQMWMQWLACCW-CZUORRHYSA-N 1 2 366.868 3.417 20 30 FGEDLO N#CC1(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)CCCC1 ZINC000046335632 494516105 /nfs/dbraw/zinc/51/61/05/494516105.db2.gz CLFRXOASBLQMNW-UHFFFAOYSA-N 1 2 360.461 3.344 20 30 FGEDLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)c(OC)c1 ZINC000046856716 494575598 /nfs/dbraw/zinc/57/55/98/494575598.db2.gz FJCRZEZFDTWDHW-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)c(OC)c1 ZINC000046856716 494575600 /nfs/dbraw/zinc/57/56/00/494575600.db2.gz FJCRZEZFDTWDHW-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1OC ZINC000092539643 494663202 /nfs/dbraw/zinc/66/32/02/494663202.db2.gz CALDISVBRPPBIB-UHFFFAOYSA-N 1 2 372.509 3.485 20 30 FGEDLO C=C[C@H](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000126267003 494690899 /nfs/dbraw/zinc/69/08/99/494690899.db2.gz QFQPWHZTTHQYJI-LJQANCHMSA-N 1 2 374.488 3.338 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)o1 ZINC000092737083 494731468 /nfs/dbraw/zinc/73/14/68/494731468.db2.gz RNLSDKOMUFDLDT-UHFFFAOYSA-N 1 2 353.191 3.047 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)o1 ZINC000092737083 494731476 /nfs/dbraw/zinc/73/14/76/494731476.db2.gz RNLSDKOMUFDLDT-UHFFFAOYSA-N 1 2 353.191 3.047 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000092040369 494766201 /nfs/dbraw/zinc/76/62/01/494766201.db2.gz QGHTXADSUDMJCD-MSOLQXFVSA-N 1 2 373.449 3.178 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000092040369 494766207 /nfs/dbraw/zinc/76/62/07/494766207.db2.gz QGHTXADSUDMJCD-MSOLQXFVSA-N 1 2 373.449 3.178 20 30 FGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108862965 494796719 /nfs/dbraw/zinc/79/67/19/494796719.db2.gz ULDCWFQEAMJQKP-SFTDATJTSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000108862965 494796723 /nfs/dbraw/zinc/79/67/23/494796723.db2.gz ULDCWFQEAMJQKP-SFTDATJTSA-N 1 2 366.440 3.050 20 30 FGEDLO N#Cc1ccc2ncc(CNc3ccccc3OCCn3cc[nH+]c3)n2c1 ZINC000092158230 494801611 /nfs/dbraw/zinc/80/16/11/494801611.db2.gz AHDWCSPIBVKCSW-UHFFFAOYSA-N 1 2 358.405 3.094 20 30 FGEDLO C[N@H+](CCOc1ccccc1F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075612408 494802990 /nfs/dbraw/zinc/80/29/90/494802990.db2.gz CUILCWRVZUPWGF-UHFFFAOYSA-N 1 2 352.369 3.258 20 30 FGEDLO C[N@@H+](CCOc1ccccc1F)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075612408 494802995 /nfs/dbraw/zinc/80/29/95/494802995.db2.gz CUILCWRVZUPWGF-UHFFFAOYSA-N 1 2 352.369 3.258 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026208576 494809579 /nfs/dbraw/zinc/80/95/79/494809579.db2.gz RYHPVTXVHLWEQU-UHFFFAOYSA-N 1 2 371.824 3.069 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026208576 494809586 /nfs/dbraw/zinc/80/95/86/494809586.db2.gz RYHPVTXVHLWEQU-UHFFFAOYSA-N 1 2 371.824 3.069 20 30 FGEDLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000116883929 494866334 /nfs/dbraw/zinc/86/63/34/494866334.db2.gz WQSMSZJOSGXHPR-UHFFFAOYSA-N 1 2 355.463 3.410 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1 ZINC000027776777 494884988 /nfs/dbraw/zinc/88/49/88/494884988.db2.gz MRZSEAXSGGQCHY-UHFFFAOYSA-N 1 2 351.450 3.063 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1 ZINC000027776777 494884989 /nfs/dbraw/zinc/88/49/89/494884989.db2.gz MRZSEAXSGGQCHY-UHFFFAOYSA-N 1 2 351.450 3.063 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc(OC)c1O ZINC000093413273 494887708 /nfs/dbraw/zinc/88/77/08/494887708.db2.gz VSFPMMATBPPVKP-KRWDZBQOSA-N 1 2 367.493 3.403 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000127216908 494911041 /nfs/dbraw/zinc/91/10/41/494911041.db2.gz WJYUCOKMWDAAIZ-PMACEKPBSA-N 1 2 360.417 3.083 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000127216908 494911048 /nfs/dbraw/zinc/91/10/48/494911048.db2.gz WJYUCOKMWDAAIZ-PMACEKPBSA-N 1 2 360.417 3.083 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1OC ZINC000093687513 494912262 /nfs/dbraw/zinc/91/22/62/494912262.db2.gz IXOOFRQPYAUHPE-UHFFFAOYSA-N 1 2 357.429 3.116 20 30 FGEDLO C[C@H](N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1)C(F)(F)F ZINC000093882902 494930664 /nfs/dbraw/zinc/93/06/64/494930664.db2.gz XKBQJPYTMQKEAB-HNNXBMFYSA-N 1 2 355.404 3.438 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000118394692 494999970 /nfs/dbraw/zinc/99/99/70/494999970.db2.gz FHLMFJQJYFQINA-INIZCTEOSA-N 1 2 351.425 3.145 20 30 FGEDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000101732657 495094375 /nfs/dbraw/zinc/09/43/75/495094375.db2.gz OJETWVDDFBKQQI-MRXNPFEDSA-N 1 2 360.404 3.293 20 30 FGEDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000101732657 495094381 /nfs/dbraw/zinc/09/43/81/495094381.db2.gz OJETWVDDFBKQQI-MRXNPFEDSA-N 1 2 360.404 3.293 20 30 FGEDLO COCCC[N@@H+]1Cc2cccc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000102713677 495155379 /nfs/dbraw/zinc/15/53/79/495155379.db2.gz RGLWDDZUYRMSIY-RGVLZGJSSA-N 1 2 355.394 3.403 20 30 FGEDLO COCCC[N@H+]1Cc2cccc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000102713677 495155381 /nfs/dbraw/zinc/15/53/81/495155381.db2.gz RGLWDDZUYRMSIY-RGVLZGJSSA-N 1 2 355.394 3.403 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000119649850 495209625 /nfs/dbraw/zinc/20/96/25/495209625.db2.gz JUYSIZKWUSNZDI-UHFFFAOYSA-N 1 2 357.385 3.038 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000119649850 495209631 /nfs/dbraw/zinc/20/96/31/495209631.db2.gz JUYSIZKWUSNZDI-UHFFFAOYSA-N 1 2 357.385 3.038 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000119914433 495267950 /nfs/dbraw/zinc/26/79/50/495267950.db2.gz ZDEKBVDSDPRMHM-MRXNPFEDSA-N 1 2 367.478 3.194 20 30 FGEDLO C=CCNc1ncc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000136282060 495369659 /nfs/dbraw/zinc/36/96/59/495369659.db2.gz HFMWJPODBBGRIK-CYBMUJFWSA-N 1 2 366.437 3.052 20 30 FGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000125231114 495410158 /nfs/dbraw/zinc/41/01/58/495410158.db2.gz CGOIBFPERYDOLG-MRXNPFEDSA-N 1 2 353.466 3.499 20 30 FGEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000125231114 495410162 /nfs/dbraw/zinc/41/01/62/495410162.db2.gz CGOIBFPERYDOLG-MRXNPFEDSA-N 1 2 353.466 3.499 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccccn1 ZINC000125307024 495423910 /nfs/dbraw/zinc/42/39/10/495423910.db2.gz BNYFZSHTDOKMKI-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccccn1 ZINC000125307024 495423912 /nfs/dbraw/zinc/42/39/12/495423912.db2.gz BNYFZSHTDOKMKI-UHFFFAOYSA-N 1 2 350.466 3.467 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120761394 495453064 /nfs/dbraw/zinc/45/30/64/495453064.db2.gz VHJWFNKVOYQKSV-AUUYWEPGSA-N 1 2 358.463 3.469 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120761394 495453068 /nfs/dbraw/zinc/45/30/68/495453068.db2.gz VHJWFNKVOYQKSV-AUUYWEPGSA-N 1 2 358.463 3.469 20 30 FGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000106599684 495475826 /nfs/dbraw/zinc/47/58/26/495475826.db2.gz YNJGJDZKBCNSPL-UHFFFAOYSA-N 1 2 350.353 3.116 20 30 FGEDLO N#Cc1cccc(COc2ccc(NC(=O)NCc3[nH]cc[nH+]3)cc2F)c1 ZINC000120875576 495476774 /nfs/dbraw/zinc/47/67/74/495476774.db2.gz WSIIMFGMNVNOII-UHFFFAOYSA-N 1 2 365.368 3.321 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000120980801 495496485 /nfs/dbraw/zinc/49/64/85/495496485.db2.gz NXUDSVXBUHSBFB-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C[N@H+](Cc1cc(Br)cs1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115535828 495514749 /nfs/dbraw/zinc/51/47/49/495514749.db2.gz FFNDFXMJYAFIJZ-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO C[N@@H+](Cc1cc(Br)cs1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115535828 495514750 /nfs/dbraw/zinc/51/47/50/495514750.db2.gz FFNDFXMJYAFIJZ-CQSZACIVSA-N 1 2 364.268 3.041 20 30 FGEDLO CCCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597009 495520756 /nfs/dbraw/zinc/52/07/56/495520756.db2.gz JLJOTJZIPFTYPJ-FQEVSTJZSA-N 1 2 367.449 3.062 20 30 FGEDLO Cc1nc(-c2ccccc2)sc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599317 495521031 /nfs/dbraw/zinc/52/10/31/495521031.db2.gz SOTGRGPUBGCOEO-SFHVURJKSA-N 1 2 362.458 3.306 20 30 FGEDLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580571443 505788900 /nfs/dbraw/zinc/78/89/00/505788900.db2.gz JQUXYRWXQFEKDX-LJQANCHMSA-N 1 2 356.495 3.309 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173551059 495584351 /nfs/dbraw/zinc/58/43/51/495584351.db2.gz NTVKANNMATWVAK-UHFFFAOYSA-N 1 2 358.442 3.136 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173551059 495584354 /nfs/dbraw/zinc/58/43/54/495584354.db2.gz NTVKANNMATWVAK-UHFFFAOYSA-N 1 2 358.442 3.136 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000568851357 505792813 /nfs/dbraw/zinc/79/28/13/505792813.db2.gz FWEDSPZOMIMIPL-LJQANCHMSA-N 1 2 353.422 3.009 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000171041690 495700537 /nfs/dbraw/zinc/70/05/37/495700537.db2.gz VHHWXYNTWSVNRW-UHFFFAOYSA-N 1 2 351.454 3.375 20 30 FGEDLO C=CCNc1ncc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000159415549 495727549 /nfs/dbraw/zinc/72/75/49/495727549.db2.gz OSOPVNAULBTNSN-CYBMUJFWSA-N 1 2 362.524 3.322 20 30 FGEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000185800702 495729852 /nfs/dbraw/zinc/72/98/52/495729852.db2.gz HXDVZEJYNBLZGQ-IBGZPJMESA-N 1 2 354.475 3.169 20 30 FGEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000185800702 495729859 /nfs/dbraw/zinc/72/98/59/495729859.db2.gz HXDVZEJYNBLZGQ-IBGZPJMESA-N 1 2 354.475 3.169 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000151367597 495817403 /nfs/dbraw/zinc/81/74/03/495817403.db2.gz RFMFCAFDYDQMOT-KRWDZBQOSA-N 1 2 365.437 3.144 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180043133 495833652 /nfs/dbraw/zinc/83/36/52/495833652.db2.gz JNKDDQUPOSQEPF-HNNXBMFYSA-N 1 2 365.437 3.294 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000180061464 495841340 /nfs/dbraw/zinc/84/13/40/495841340.db2.gz FTZCSCRLKULYHJ-HNNXBMFYSA-N 1 2 365.437 3.294 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174325325 495911146 /nfs/dbraw/zinc/91/11/46/495911146.db2.gz KWZUTRWSIQFTJR-GJZGRUSLSA-N 1 2 372.469 3.209 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000186291507 495931320 /nfs/dbraw/zinc/93/13/20/495931320.db2.gz CLKSEGLFXHUORK-PGRDOPGGSA-N 1 2 374.488 3.042 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155692560 496038218 /nfs/dbraw/zinc/03/82/18/496038218.db2.gz HMDODEZIMIFRDT-UHFFFAOYSA-N 1 2 356.407 3.131 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155692560 496038224 /nfs/dbraw/zinc/03/82/24/496038224.db2.gz HMDODEZIMIFRDT-UHFFFAOYSA-N 1 2 356.407 3.131 20 30 FGEDLO COc1cc(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000156426000 496242805 /nfs/dbraw/zinc/24/28/05/496242805.db2.gz AKPLRCDFLALYSJ-UHFFFAOYSA-N 1 2 372.296 3.050 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156511026 496265021 /nfs/dbraw/zinc/26/50/21/496265021.db2.gz FDSBGOMITPCYJL-ZWKOTPCHSA-N 1 2 365.905 3.319 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156511026 496265025 /nfs/dbraw/zinc/26/50/25/496265025.db2.gz FDSBGOMITPCYJL-ZWKOTPCHSA-N 1 2 365.905 3.319 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000156758128 496327424 /nfs/dbraw/zinc/32/74/24/496327424.db2.gz TUTACJLZXWDGAZ-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000156758128 496327432 /nfs/dbraw/zinc/32/74/32/496327432.db2.gz TUTACJLZXWDGAZ-LJQANCHMSA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187241784 496356822 /nfs/dbraw/zinc/35/68/22/496356822.db2.gz YLAPZTKRBCAEHK-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187241784 496356830 /nfs/dbraw/zinc/35/68/30/496356830.db2.gz YLAPZTKRBCAEHK-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)c(F)c1 ZINC000181416451 496386894 /nfs/dbraw/zinc/38/68/94/496386894.db2.gz OWYKSLCXMXDEDO-QGZVFWFLSA-N 1 2 370.359 3.364 20 30 FGEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000184530515 496425679 /nfs/dbraw/zinc/42/56/79/496425679.db2.gz LGXVNPAMRGLANY-YOEHRIQHSA-N 1 2 359.401 3.031 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439844 496440960 /nfs/dbraw/zinc/44/09/60/496440960.db2.gz GRFTWNHOXXPTNN-MSOLQXFVSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000187439844 496440967 /nfs/dbraw/zinc/44/09/67/496440967.db2.gz GRFTWNHOXXPTNN-MSOLQXFVSA-N 1 2 359.351 3.151 20 30 FGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)C1CCCC1 ZINC000162960871 496441642 /nfs/dbraw/zinc/44/16/42/496441642.db2.gz SYMORAKZWNDKJG-LJQANCHMSA-N 1 2 366.465 3.106 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000175560798 496443405 /nfs/dbraw/zinc/44/34/05/496443405.db2.gz YVYMGRJCOSTWPC-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO C=CC[C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000187589245 496501672 /nfs/dbraw/zinc/50/16/72/496501672.db2.gz ZFRZLFSHEWJENS-NRFANRHFSA-N 1 2 374.488 3.338 20 30 FGEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(C)o1 ZINC000184713689 496503936 /nfs/dbraw/zinc/50/39/36/496503936.db2.gz MFCLVOQXGCSDMA-GOSISDBHSA-N 1 2 369.465 3.429 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000157807909 496559916 /nfs/dbraw/zinc/55/99/16/496559916.db2.gz KJAANGLWYJJELS-KKSFZXQISA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000157807909 496559921 /nfs/dbraw/zinc/55/99/21/496559921.db2.gz KJAANGLWYJJELS-KKSFZXQISA-N 1 2 352.434 3.408 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(SCC#N)c1)C2 ZINC000176050905 496660143 /nfs/dbraw/zinc/66/01/43/496660143.db2.gz RGGOUZJHCAEXKQ-UHFFFAOYSA-N 1 2 354.479 3.358 20 30 FGEDLO C=CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccs1 ZINC000154060573 496670365 /nfs/dbraw/zinc/67/03/65/496670365.db2.gz VXUBPUCWUIZXKP-UHFFFAOYSA-N 1 2 351.493 3.219 20 30 FGEDLO C=CC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccs1 ZINC000154060573 496670375 /nfs/dbraw/zinc/67/03/75/496670375.db2.gz VXUBPUCWUIZXKP-UHFFFAOYSA-N 1 2 351.493 3.219 20 30 FGEDLO C#CCOc1ccccc1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000188078073 496674854 /nfs/dbraw/zinc/67/48/54/496674854.db2.gz FSJDTFKQMJZZKD-UHFFFAOYSA-N 1 2 350.422 3.016 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191344654 496731852 /nfs/dbraw/zinc/73/18/52/496731852.db2.gz BBKCZECEMXWFJB-FQEVSTJZSA-N 1 2 351.450 3.036 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191344654 496731856 /nfs/dbraw/zinc/73/18/56/496731856.db2.gz BBKCZECEMXWFJB-FQEVSTJZSA-N 1 2 351.450 3.036 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247105679 496780138 /nfs/dbraw/zinc/78/01/38/496780138.db2.gz QTCKJFOQUSZUNC-GHTZIAJQSA-N 1 2 367.497 3.248 20 30 FGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247105679 496780143 /nfs/dbraw/zinc/78/01/43/496780143.db2.gz QTCKJFOQUSZUNC-GHTZIAJQSA-N 1 2 367.497 3.248 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247286893 496824384 /nfs/dbraw/zinc/82/43/84/496824384.db2.gz TYCZTWSEUPYEIW-WBVHZDCISA-N 1 2 364.536 3.110 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247286893 496824388 /nfs/dbraw/zinc/82/43/88/496824388.db2.gz TYCZTWSEUPYEIW-WBVHZDCISA-N 1 2 364.536 3.110 20 30 FGEDLO CO/N=C/c1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000264275149 496859582 /nfs/dbraw/zinc/85/95/82/496859582.db2.gz SIBDXENISYWXND-PZBNQXIHSA-N 1 2 367.449 3.312 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188667596 496870780 /nfs/dbraw/zinc/87/07/80/496870780.db2.gz GSSLBXNEYGWSFS-ZHALLVOQSA-N 1 2 352.425 3.055 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188667596 496870786 /nfs/dbraw/zinc/87/07/86/496870786.db2.gz GSSLBXNEYGWSFS-ZHALLVOQSA-N 1 2 352.425 3.055 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418429 496896178 /nfs/dbraw/zinc/89/61/78/496896178.db2.gz LLIRNNXCTWHKTA-KSSFIOAISA-N 1 2 372.428 3.131 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418429 496896184 /nfs/dbraw/zinc/89/61/84/496896184.db2.gz LLIRNNXCTWHKTA-KSSFIOAISA-N 1 2 372.428 3.131 20 30 FGEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc[nH+]c(C2CC2)n1 ZINC000264599838 496940333 /nfs/dbraw/zinc/94/03/33/496940333.db2.gz BDNYIBPIJSMBLI-UHFFFAOYSA-N 1 2 359.437 3.038 20 30 FGEDLO N#CCC[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000269641487 496982241 /nfs/dbraw/zinc/98/22/41/496982241.db2.gz XUTAWTMKTQLVTC-IBGZPJMESA-N 1 2 352.438 3.152 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000248614867 497058046 /nfs/dbraw/zinc/05/80/46/497058046.db2.gz JVDLJCFCAYGMFL-HOTGVXAUSA-N 1 2 371.462 3.302 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000248614867 497058049 /nfs/dbraw/zinc/05/80/49/497058049.db2.gz JVDLJCFCAYGMFL-HOTGVXAUSA-N 1 2 371.462 3.302 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000265251773 497082079 /nfs/dbraw/zinc/08/20/79/497082079.db2.gz XZARJVMCJNVZRA-AWEZNQCLSA-N 1 2 353.401 3.003 20 30 FGEDLO C#CCOc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000274838902 497179178 /nfs/dbraw/zinc/17/91/78/497179178.db2.gz JPISNHNFEFMCKS-UHFFFAOYSA-N 1 2 366.343 3.121 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249466091 497207818 /nfs/dbraw/zinc/20/78/18/497207818.db2.gz GSSLBXNEYGWSFS-ZIFCJYIRSA-N 1 2 352.425 3.055 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249466091 497207824 /nfs/dbraw/zinc/20/78/24/497207824.db2.gz GSSLBXNEYGWSFS-ZIFCJYIRSA-N 1 2 352.425 3.055 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C)ccc3C#N)CC2)cs1 ZINC000270943601 497230932 /nfs/dbraw/zinc/23/09/32/497230932.db2.gz KHIWGBZPKRWFBZ-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc(C)ccc3C#N)CC2)cs1 ZINC000270943601 497230936 /nfs/dbraw/zinc/23/09/36/497230936.db2.gz KHIWGBZPKRWFBZ-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@H]2C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 ZINC000266309507 497301649 /nfs/dbraw/zinc/30/16/49/497301649.db2.gz DREMEWJTOXGVMX-DNPICXIKSA-N 1 2 354.450 3.483 20 30 FGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332512 497323637 /nfs/dbraw/zinc/32/36/37/497323637.db2.gz MCWDDWGSEFRTEG-ZBFHGGJFSA-N 1 2 364.449 3.024 20 30 FGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332512 497323643 /nfs/dbraw/zinc/32/36/43/497323643.db2.gz MCWDDWGSEFRTEG-ZBFHGGJFSA-N 1 2 364.449 3.024 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275463497 497334035 /nfs/dbraw/zinc/33/40/35/497334035.db2.gz NPYSMHCFKIZROD-RHSMWYFYSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275463497 497334041 /nfs/dbraw/zinc/33/40/41/497334041.db2.gz NPYSMHCFKIZROD-RHSMWYFYSA-N 1 2 361.511 3.112 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000266723698 497406215 /nfs/dbraw/zinc/40/62/15/497406215.db2.gz INTDHNSOOWGTAR-OAHLLOKOSA-N 1 2 361.511 3.256 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C(=O)N3CCCCC3)c2)n1 ZINC000279766667 497534828 /nfs/dbraw/zinc/53/48/28/497534828.db2.gz SECBWZMQFMZBFG-UHFFFAOYSA-N 1 2 364.493 3.165 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C(=O)N3CCCCC3)c2)n1 ZINC000279766667 497534831 /nfs/dbraw/zinc/53/48/31/497534831.db2.gz SECBWZMQFMZBFG-UHFFFAOYSA-N 1 2 364.493 3.165 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000267709926 497603983 /nfs/dbraw/zinc/60/39/83/497603983.db2.gz SFNKVQHYFPVFIJ-OAQYLSRUSA-N 1 2 364.445 3.454 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C#N)CC2)C[C@@H](C)O1 ZINC000272477839 497639318 /nfs/dbraw/zinc/63/93/18/497639318.db2.gz FPEHUCQBVSSFHZ-IAGOWNOFSA-N 1 2 370.497 3.453 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000280098295 497649074 /nfs/dbraw/zinc/64/90/74/497649074.db2.gz OWVZACDVUKUAEL-UTKZUKDTSA-N 1 2 350.466 3.077 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000272543352 497656530 /nfs/dbraw/zinc/65/65/30/497656530.db2.gz JTBGEEKVOUEKLO-UHFFFAOYSA-N 1 2 365.359 3.146 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000272543352 497656532 /nfs/dbraw/zinc/65/65/32/497656532.db2.gz JTBGEEKVOUEKLO-UHFFFAOYSA-N 1 2 365.359 3.146 20 30 FGEDLO Cc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccn2)cc1 ZINC000280220512 497685610 /nfs/dbraw/zinc/68/56/10/497685610.db2.gz VOLFCDRZCOGKBN-OAQYLSRUSA-N 1 2 362.477 3.412 20 30 FGEDLO CCC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147372 497687066 /nfs/dbraw/zinc/68/70/66/497687066.db2.gz GPPBORDIUUSDPR-GDBMZVCRSA-N 1 2 352.438 3.024 20 30 FGEDLO CCC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147372 497687070 /nfs/dbraw/zinc/68/70/70/497687070.db2.gz GPPBORDIUUSDPR-GDBMZVCRSA-N 1 2 352.438 3.024 20 30 FGEDLO CC(C)[C@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272678026 497698314 /nfs/dbraw/zinc/69/83/14/497698314.db2.gz AWIJACGHHDIGSN-LEWJYISDSA-N 1 2 369.509 3.044 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000191105939 497710335 /nfs/dbraw/zinc/71/03/35/497710335.db2.gz YGZPENTUVSPPRC-MRXNPFEDSA-N 1 2 373.478 3.153 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000191105939 497710338 /nfs/dbraw/zinc/71/03/38/497710338.db2.gz YGZPENTUVSPPRC-MRXNPFEDSA-N 1 2 373.478 3.153 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000191111963 497712912 /nfs/dbraw/zinc/71/29/12/497712912.db2.gz QYKXVHDHHARPEF-UHFFFAOYSA-N 1 2 373.478 3.073 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000191111963 497712914 /nfs/dbraw/zinc/71/29/14/497712914.db2.gz QYKXVHDHHARPEF-UHFFFAOYSA-N 1 2 373.478 3.073 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000191123457 497716392 /nfs/dbraw/zinc/71/63/92/497716392.db2.gz LRGLEXFSWSQKMS-UHFFFAOYSA-N 1 2 352.232 3.134 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000191123457 497716393 /nfs/dbraw/zinc/71/63/93/497716393.db2.gz LRGLEXFSWSQKMS-UHFFFAOYSA-N 1 2 352.232 3.134 20 30 FGEDLO N#Cc1cc(Br)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000272802774 497733170 /nfs/dbraw/zinc/73/31/70/497733170.db2.gz FAFBJWWMTSUNHQ-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO C[N@H+](CCC1CCCCC1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000263734808 497811849 /nfs/dbraw/zinc/81/18/49/497811849.db2.gz UCWWWHYCJFQPDW-KRWDZBQOSA-N 1 2 366.465 3.414 20 30 FGEDLO C[N@@H+](CCC1CCCCC1)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000263734808 497811850 /nfs/dbraw/zinc/81/18/50/497811850.db2.gz UCWWWHYCJFQPDW-KRWDZBQOSA-N 1 2 366.465 3.414 20 30 FGEDLO COc1ccc(C2(CNC(=O)C3([NH+]4CCOCC4)CCC3)CCC2)cc1 ZINC000329558907 497828351 /nfs/dbraw/zinc/82/83/51/497828351.db2.gz LQLJFMVCYXCUMT-UHFFFAOYSA-N 1 2 358.482 3.328 20 30 FGEDLO CC[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC(=O)N1 ZINC000329622001 497848573 /nfs/dbraw/zinc/84/85/73/497848573.db2.gz UNXMZHNKZSELCB-IRXDYDNUSA-N 1 2 358.486 3.167 20 30 FGEDLO Cc1cc(N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)nc(C(C)C)[nH+]1 ZINC000581231452 505938830 /nfs/dbraw/zinc/93/88/30/505938830.db2.gz WBKULPYJKVCEAB-NRFANRHFSA-N 1 2 367.497 3.031 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccnc(-n3cccn3)c1)C2 ZINC000329785677 497900308 /nfs/dbraw/zinc/90/03/08/497900308.db2.gz QDISRUJWODBGBD-HNNXBMFYSA-N 1 2 364.453 3.081 20 30 FGEDLO CC[C@@H](NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1c(C)nn(C)c1C ZINC000329797345 497904279 /nfs/dbraw/zinc/90/42/79/497904279.db2.gz FMBVCSQDGUZIPD-OAHLLOKOSA-N 1 2 372.517 3.317 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000364333776 497905214 /nfs/dbraw/zinc/90/52/14/497905214.db2.gz CWLPWAJTDAMEGK-NRFANRHFSA-N 1 2 365.433 3.228 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(C#N)c1C ZINC000364333776 497905219 /nfs/dbraw/zinc/90/52/19/497905219.db2.gz CWLPWAJTDAMEGK-NRFANRHFSA-N 1 2 365.433 3.228 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280810672 497906984 /nfs/dbraw/zinc/90/69/84/497906984.db2.gz LZVWLCGKWILTBM-MGPUTAFESA-N 1 2 372.490 3.139 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000329841592 497922409 /nfs/dbraw/zinc/92/24/09/497922409.db2.gz WTWKRVVEHKGUPX-HNNXBMFYSA-N 1 2 350.507 3.335 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CCCC2 ZINC000301067355 497937382 /nfs/dbraw/zinc/93/73/82/497937382.db2.gz CZDVVNIFMSJBAL-HXUWFJFHSA-N 1 2 362.477 3.145 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CCCC2 ZINC000301067355 497937386 /nfs/dbraw/zinc/93/73/86/497937386.db2.gz CZDVVNIFMSJBAL-HXUWFJFHSA-N 1 2 362.477 3.145 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C2CC2)O1 ZINC000329929200 497956748 /nfs/dbraw/zinc/95/67/48/497956748.db2.gz YOPVNXMTCYHYIZ-CZUORRHYSA-N 1 2 364.515 3.174 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CCOCC1 ZINC000285001678 497966231 /nfs/dbraw/zinc/96/62/31/497966231.db2.gz LOJYXPUNQKORMM-YJJPMGAVSA-N 1 2 364.449 3.072 20 30 FGEDLO CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329967364 497974278 /nfs/dbraw/zinc/97/42/78/497974278.db2.gz WDZLBWXARZNYAX-HNNXBMFYSA-N 1 2 361.515 3.363 20 30 FGEDLO N#Cc1nc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)ccc1Cl ZINC000301167893 497982075 /nfs/dbraw/zinc/98/20/75/497982075.db2.gz ILVHXVQMFOEZIN-QGZVFWFLSA-N 1 2 360.820 3.231 20 30 FGEDLO CN(C)c1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000289035337 497989298 /nfs/dbraw/zinc/98/92/98/497989298.db2.gz PEPQMLVHPZJDNO-UHFFFAOYSA-N 1 2 368.506 3.439 20 30 FGEDLO CN(C)c1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000289035337 497989302 /nfs/dbraw/zinc/98/93/02/497989302.db2.gz PEPQMLVHPZJDNO-UHFFFAOYSA-N 1 2 368.506 3.439 20 30 FGEDLO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330012931 497990710 /nfs/dbraw/zinc/99/07/10/497990710.db2.gz LIXJYSMSGUKAES-UKRRQHHQSA-N 1 2 360.483 3.362 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@]2(CCOC2)O1 ZINC000330087874 498016138 /nfs/dbraw/zinc/01/61/38/498016138.db2.gz UFDNDVAQUHIXMW-QUCCMNQESA-N 1 2 358.482 3.292 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@]2(CCOC2)O1 ZINC000330087874 498016143 /nfs/dbraw/zinc/01/61/43/498016143.db2.gz UFDNDVAQUHIXMW-QUCCMNQESA-N 1 2 358.482 3.292 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099513 498020019 /nfs/dbraw/zinc/02/00/19/498020019.db2.gz DCTPMARYELZCEX-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330099513 498020026 /nfs/dbraw/zinc/02/00/26/498020026.db2.gz DCTPMARYELZCEX-VCBZYWHSSA-N 1 2 350.434 3.381 20 30 FGEDLO N#Cc1cccc(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000569570324 505967096 /nfs/dbraw/zinc/96/70/96/505967096.db2.gz DCBNGYPQJIVLBY-UHFFFAOYSA-N 1 2 358.445 3.458 20 30 FGEDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330143039 498037774 /nfs/dbraw/zinc/03/77/74/498037774.db2.gz YQVUDTMPNFYNCD-XKGFGPFHSA-N 1 2 360.498 3.405 20 30 FGEDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 ZINC000330143039 498037782 /nfs/dbraw/zinc/03/77/82/498037782.db2.gz YQVUDTMPNFYNCD-XKGFGPFHSA-N 1 2 360.498 3.405 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000289176824 498047657 /nfs/dbraw/zinc/04/76/57/498047657.db2.gz AARWCFPWFZAPMF-XMJUDYLUSA-N 1 2 364.511 3.109 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H](C)[S@@]1=O ZINC000289176824 498047665 /nfs/dbraw/zinc/04/76/65/498047665.db2.gz AARWCFPWFZAPMF-XMJUDYLUSA-N 1 2 364.511 3.109 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCOC[C@H](C3CCC3)C1)C2 ZINC000330185633 498052567 /nfs/dbraw/zinc/05/25/67/498052567.db2.gz JFJOXVCSSJRVSI-SJORKVTESA-N 1 2 374.529 3.158 20 30 FGEDLO N#CC[C@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccccc1 ZINC000350191115 498056331 /nfs/dbraw/zinc/05/63/31/498056331.db2.gz RNRQPPDECZPWEL-FGTMMUONSA-N 1 2 352.438 3.235 20 30 FGEDLO N#CC[C@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccccc1 ZINC000350191115 498056336 /nfs/dbraw/zinc/05/63/36/498056336.db2.gz RNRQPPDECZPWEL-FGTMMUONSA-N 1 2 352.438 3.235 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1COc2ccccc2C1 ZINC000330243333 498076545 /nfs/dbraw/zinc/07/65/45/498076545.db2.gz CPWIOIWBVLERTH-SJORKVTESA-N 1 2 354.454 3.348 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000296519611 498077728 /nfs/dbraw/zinc/07/77/28/498077728.db2.gz MVFMKBUPTUAIFG-HOCLYGCPSA-N 1 2 364.405 3.011 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000296520255 498077746 /nfs/dbraw/zinc/07/77/46/498077746.db2.gz OUQJKOAZLNEDAL-ZUXXIDCJSA-N 1 2 362.424 3.092 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000296520255 498077751 /nfs/dbraw/zinc/07/77/51/498077751.db2.gz OUQJKOAZLNEDAL-ZUXXIDCJSA-N 1 2 362.424 3.092 20 30 FGEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NCC1(CC#N)CC1)CC2 ZINC000330253337 498080441 /nfs/dbraw/zinc/08/04/41/498080441.db2.gz AMPCHOIGEXJLAX-OAHLLOKOSA-N 1 2 373.526 3.037 20 30 FGEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)NCC1(CC#N)CC1)CC2 ZINC000330253337 498080448 /nfs/dbraw/zinc/08/04/48/498080448.db2.gz AMPCHOIGEXJLAX-OAHLLOKOSA-N 1 2 373.526 3.037 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC4(C3)CCOCC4)n2)C1 ZINC000330254326 498081505 /nfs/dbraw/zinc/08/15/05/498081505.db2.gz JJRRWUUNTIKIJR-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC4(C3)CCOCC4)n2)C1 ZINC000330254326 498081514 /nfs/dbraw/zinc/08/15/14/498081514.db2.gz JJRRWUUNTIKIJR-AWEZNQCLSA-N 1 2 364.515 3.033 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000330268809 498086368 /nfs/dbraw/zinc/08/63/68/498086368.db2.gz IWGXMBZRPUSTOJ-WWMYMODYSA-N 1 2 374.481 3.365 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000330268809 498086376 /nfs/dbraw/zinc/08/63/76/498086376.db2.gz IWGXMBZRPUSTOJ-WWMYMODYSA-N 1 2 374.481 3.365 20 30 FGEDLO O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330268216 498086841 /nfs/dbraw/zinc/08/68/41/498086841.db2.gz INHGEQZTKWDZAL-PLMTUMEDSA-N 1 2 371.456 3.315 20 30 FGEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2c1cccc2C(F)(F)F ZINC000330281834 498092738 /nfs/dbraw/zinc/09/27/38/498092738.db2.gz UYWQFWWUNULWPT-LLVKDONJSA-N 1 2 350.344 3.193 20 30 FGEDLO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330318073 498102766 /nfs/dbraw/zinc/10/27/66/498102766.db2.gz CBXKFQXVHKDTIX-APWZRJJASA-N 1 2 373.501 3.309 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330318576 498102958 /nfs/dbraw/zinc/10/29/58/498102958.db2.gz CLRNZQMCKAZOAS-OALUTQOASA-N 1 2 367.497 3.462 20 30 FGEDLO Cc1c(C#N)c(NCc2cc[nH+]c(N3CCOCC3)c2)nc2ccccc12 ZINC000296602305 498115633 /nfs/dbraw/zinc/11/56/33/498115633.db2.gz SXCIZBRHHGHMCR-UHFFFAOYSA-N 1 2 359.433 3.259 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384125 498130159 /nfs/dbraw/zinc/13/01/59/498130159.db2.gz PIIRCIZKRPELIC-SJLPKXTDSA-N 1 2 357.498 3.164 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000281384125 498130167 /nfs/dbraw/zinc/13/01/67/498130167.db2.gz PIIRCIZKRPELIC-SJLPKXTDSA-N 1 2 357.498 3.164 20 30 FGEDLO CC(C)[C@H](CCO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330465766 498137418 /nfs/dbraw/zinc/13/74/18/498137418.db2.gz WDFUNXFOUAOYOU-BBWFWOEESA-N 1 2 371.884 3.135 20 30 FGEDLO CC(C)[C@H](CCO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330465766 498137425 /nfs/dbraw/zinc/13/74/25/498137425.db2.gz WDFUNXFOUAOYOU-BBWFWOEESA-N 1 2 371.884 3.135 20 30 FGEDLO C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000301661876 498211178 /nfs/dbraw/zinc/21/11/78/498211178.db2.gz XWEIHFWQIPYZNB-FZKQIMNGSA-N 1 2 362.393 3.299 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296862350 498227391 /nfs/dbraw/zinc/22/73/91/498227391.db2.gz VFSACVZVCQMZPB-UHFFFAOYSA-N 1 2 362.393 3.361 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360108009 498247761 /nfs/dbraw/zinc/24/77/61/498247761.db2.gz PLZHMOUWTVGSEI-HOCLYGCPSA-N 1 2 374.510 3.222 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360108009 498247767 /nfs/dbraw/zinc/24/77/67/498247767.db2.gz PLZHMOUWTVGSEI-HOCLYGCPSA-N 1 2 374.510 3.222 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000281827468 498284697 /nfs/dbraw/zinc/28/46/97/498284697.db2.gz PNCQEEJBBHKYGP-NUJGCVRESA-N 1 2 363.527 3.118 20 30 FGEDLO CSCc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000293148439 498285602 /nfs/dbraw/zinc/28/56/02/498285602.db2.gz DOWWSFHIGHJTAH-MRXNPFEDSA-N 1 2 372.519 3.163 20 30 FGEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c2ccccc2)n1C ZINC000361283771 498370399 /nfs/dbraw/zinc/37/03/99/498370399.db2.gz IXMOWKTZBNIGKJ-FOIQADDNSA-N 1 2 361.449 3.294 20 30 FGEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000572663889 506024018 /nfs/dbraw/zinc/02/40/18/506024018.db2.gz CAGXSUSYYDBIFT-QHCPKHFHSA-N 1 2 367.452 3.268 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccccc1F ZINC000282087045 498379631 /nfs/dbraw/zinc/37/96/31/498379631.db2.gz DINOGLZXOCWQTO-JTTJXQCZSA-N 1 2 369.444 3.278 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@@H]2C)c1C#N ZINC000331589593 498384509 /nfs/dbraw/zinc/38/45/09/498384509.db2.gz KHWPBSJQWBJITQ-ZDUSSCGKSA-N 1 2 360.527 3.468 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c1C#N ZINC000331589593 498384512 /nfs/dbraw/zinc/38/45/12/498384512.db2.gz KHWPBSJQWBJITQ-ZDUSSCGKSA-N 1 2 360.527 3.468 20 30 FGEDLO CC(=O)c1ccc(C#N)c(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000302056053 498388810 /nfs/dbraw/zinc/38/88/10/498388810.db2.gz ZHRNMWGCOMAVJX-UHFFFAOYSA-N 1 2 366.440 3.134 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365370578 498428421 /nfs/dbraw/zinc/42/84/21/498428421.db2.gz WKSVBVHASLHLDJ-AWEZNQCLSA-N 1 2 353.426 3.174 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(F)c1 ZINC000282295048 498456330 /nfs/dbraw/zinc/45/63/30/498456330.db2.gz QXAYPYAMYIYQOP-JMLCCBQJSA-N 1 2 369.444 3.278 20 30 FGEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000297642128 498521642 /nfs/dbraw/zinc/52/16/42/498521642.db2.gz DLTFXAGNMSUAFY-QGZVFWFLSA-N 1 2 360.502 3.161 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989957 506063977 /nfs/dbraw/zinc/06/39/77/506063977.db2.gz KUOQSRIUMWLNFY-WBVHZDCISA-N 1 2 356.363 3.363 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989957 506063979 /nfs/dbraw/zinc/06/39/79/506063979.db2.gz KUOQSRIUMWLNFY-WBVHZDCISA-N 1 2 356.363 3.363 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000298214351 498696562 /nfs/dbraw/zinc/69/65/62/498696562.db2.gz VAKJEGLSPVDXPS-UUXHPUJUSA-N 1 2 363.465 3.493 20 30 FGEDLO CCCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000570087802 506087625 /nfs/dbraw/zinc/08/76/25/506087625.db2.gz ASBZKGQCOCCBIT-UHFFFAOYSA-N 1 2 356.495 3.434 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298442717 498773136 /nfs/dbraw/zinc/77/31/36/498773136.db2.gz DJCGZFITZMQLEE-CQSZACIVSA-N 1 2 364.474 3.477 20 30 FGEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298442717 498773142 /nfs/dbraw/zinc/77/31/42/498773142.db2.gz DJCGZFITZMQLEE-CQSZACIVSA-N 1 2 364.474 3.477 20 30 FGEDLO COc1ccc(-n2c3ccccc3[nH+]c2NCc2nc(C#N)cs2)cc1 ZINC000581917411 506089194 /nfs/dbraw/zinc/08/91/94/506089194.db2.gz YGQCGXJYTGPRNR-UHFFFAOYSA-N 1 2 361.430 3.396 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000363441519 498824179 /nfs/dbraw/zinc/82/41/79/498824179.db2.gz LAIUFBWRECNWMQ-IBGZPJMESA-N 1 2 362.458 3.010 20 30 FGEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCN(CC(F)(F)F)CC1 ZINC000328717464 498912778 /nfs/dbraw/zinc/91/27/78/498912778.db2.gz FIWGDUXONZKYJP-GXTWGEPZSA-N 1 2 358.408 3.065 20 30 FGEDLO CC(=O)N1CC[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328782700 498936826 /nfs/dbraw/zinc/93/68/26/498936826.db2.gz GEYZHQGHOWXHOH-INIZCTEOSA-N 1 2 350.422 3.058 20 30 FGEDLO O=C(C[N@@H+]1CCc2ccsc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000328860755 498964121 /nfs/dbraw/zinc/96/41/21/498964121.db2.gz FDRLHQFGXMADFQ-UHFFFAOYSA-N 1 2 373.434 3.080 20 30 FGEDLO O=C(C[N@H+]1CCc2ccsc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000328860755 498964127 /nfs/dbraw/zinc/96/41/27/498964127.db2.gz FDRLHQFGXMADFQ-UHFFFAOYSA-N 1 2 373.434 3.080 20 30 FGEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CCc2ccccc2C1 ZINC000328886636 498973947 /nfs/dbraw/zinc/97/39/47/498973947.db2.gz ZTAMBVWYIJHDHR-LJQANCHMSA-N 1 2 350.466 3.243 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1OC ZINC000295346301 498987674 /nfs/dbraw/zinc/98/76/74/498987674.db2.gz BKGJRXRTCRXDFV-KRWDZBQOSA-N 1 2 355.438 3.217 20 30 FGEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328935040 498990193 /nfs/dbraw/zinc/99/01/93/498990193.db2.gz CIDDEPNOTHNHSF-ARFHVFGLSA-N 1 2 357.458 3.020 20 30 FGEDLO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(Cl)cc1C#N ZINC000576309766 506127580 /nfs/dbraw/zinc/12/75/80/506127580.db2.gz FDPMXDVVZJLJPF-UHFFFAOYSA-N 1 2 353.651 3.303 20 30 FGEDLO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(Cl)cc1C#N ZINC000576309766 506127583 /nfs/dbraw/zinc/12/75/83/506127583.db2.gz FDPMXDVVZJLJPF-UHFFFAOYSA-N 1 2 353.651 3.303 20 30 FGEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000328930783 498990291 /nfs/dbraw/zinc/99/02/91/498990291.db2.gz AVYIAJIDYLUFIC-HUUCEWRRSA-N 1 2 364.515 3.141 20 30 FGEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)C[C@H]21 ZINC000328930783 498990298 /nfs/dbraw/zinc/99/02/98/498990298.db2.gz AVYIAJIDYLUFIC-HUUCEWRRSA-N 1 2 364.515 3.141 20 30 FGEDLO C[C@H]1CN(c2ccc(CNC(=O)Nc3scnc3C3CC3)c[nH+]2)CCO1 ZINC000328937133 498991478 /nfs/dbraw/zinc/99/14/78/498991478.db2.gz RBHOGXNYFXQEAT-LBPRGKRZSA-N 1 2 373.482 3.167 20 30 FGEDLO O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947428 498996313 /nfs/dbraw/zinc/99/63/13/498996313.db2.gz VTINWTNUGFSNOZ-SJCJKPOMSA-N 1 2 351.410 3.462 20 30 FGEDLO O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947428 498996315 /nfs/dbraw/zinc/99/63/15/498996315.db2.gz VTINWTNUGFSNOZ-SJCJKPOMSA-N 1 2 351.410 3.462 20 30 FGEDLO Cc1csc(NC(=O)CN2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000328958680 498998570 /nfs/dbraw/zinc/99/85/70/498998570.db2.gz PSPYYSSSAGXIDO-OAHLLOKOSA-N 1 2 359.499 3.489 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(F)(c4ccccn4)CC3)o2)cc1 ZINC000295398223 499004944 /nfs/dbraw/zinc/00/49/44/499004944.db2.gz ROPXXPNCYQPTPU-UHFFFAOYSA-N 1 2 363.396 3.464 20 30 FGEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000328987516 499007750 /nfs/dbraw/zinc/00/77/50/499007750.db2.gz HHUIOIKFIVBJRP-KCITZHQASA-N 1 2 361.530 3.245 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329025407 499018656 /nfs/dbraw/zinc/01/86/56/499018656.db2.gz JKUXZWNYOXCECG-PWSUYJOCSA-N 1 2 361.833 3.461 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329025407 499018660 /nfs/dbraw/zinc/01/86/60/499018660.db2.gz JKUXZWNYOXCECG-PWSUYJOCSA-N 1 2 361.833 3.461 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329057530 499028444 /nfs/dbraw/zinc/02/84/44/499028444.db2.gz IOTCLVSGZRTBBI-RDTXWAMCSA-N 1 2 352.862 3.066 20 30 FGEDLO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329057530 499028450 /nfs/dbraw/zinc/02/84/50/499028450.db2.gz IOTCLVSGZRTBBI-RDTXWAMCSA-N 1 2 352.862 3.066 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)cc1C ZINC000366695232 499036378 /nfs/dbraw/zinc/03/63/78/499036378.db2.gz MIMWGOPCQCAAIH-LJQANCHMSA-N 1 2 365.481 3.121 20 30 FGEDLO CC(C)[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCO1 ZINC000329152912 499057831 /nfs/dbraw/zinc/05/78/31/499057831.db2.gz UBCMCIVXCVYPIQ-OAGGEKHMSA-N 1 2 362.518 3.203 20 30 FGEDLO CC(C)[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCO1 ZINC000329152912 499057837 /nfs/dbraw/zinc/05/78/37/499057837.db2.gz UBCMCIVXCVYPIQ-OAGGEKHMSA-N 1 2 362.518 3.203 20 30 FGEDLO O=C(Nc1cccc(-c2nnc[nH]2)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329217380 499074970 /nfs/dbraw/zinc/07/49/70/499074970.db2.gz QAQSGHJGMZZJFC-MRXNPFEDSA-N 1 2 357.483 3.277 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)C[C@H]2CCCCNC2=O)[NH+]2CCOCC2)cc1 ZINC000329254852 499084994 /nfs/dbraw/zinc/08/49/94/499084994.db2.gz XAOHFTUZHDCHEZ-MOPGFXCFSA-N 1 2 373.497 3.472 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000573156947 506131139 /nfs/dbraw/zinc/13/11/39/506131139.db2.gz NPGWHGMAEAKGCL-VMDBXTETSA-N 1 2 365.449 3.413 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000573156947 506131143 /nfs/dbraw/zinc/13/11/43/506131143.db2.gz NPGWHGMAEAKGCL-VMDBXTETSA-N 1 2 365.449 3.413 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329380253 499111922 /nfs/dbraw/zinc/11/19/22/499111922.db2.gz NKUAAXPZEITGNK-QZTJIDSGSA-N 1 2 350.503 3.326 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329380253 499111924 /nfs/dbraw/zinc/11/19/24/499111924.db2.gz NKUAAXPZEITGNK-QZTJIDSGSA-N 1 2 350.503 3.326 20 30 FGEDLO Cc1cc(NC(=O)N[C@H]2CCCCNC2=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000329396171 499114996 /nfs/dbraw/zinc/11/49/96/499114996.db2.gz VZPHPGPKQFOTGI-HOCLYGCPSA-N 1 2 359.474 3.413 20 30 FGEDLO O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329423847 499118696 /nfs/dbraw/zinc/11/86/96/499118696.db2.gz GGDXSGTVTCHEFL-HNNXBMFYSA-N 1 2 367.453 3.112 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000366942524 499119571 /nfs/dbraw/zinc/11/95/71/499119571.db2.gz DTSOTJHIRHDXAN-KXBFYZLASA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000366942524 499119573 /nfs/dbraw/zinc/11/95/73/499119573.db2.gz DTSOTJHIRHDXAN-KXBFYZLASA-N 1 2 359.495 3.132 20 30 FGEDLO Cc1ccc(C2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC2)cn1 ZINC000329444772 499122281 /nfs/dbraw/zinc/12/22/81/499122281.db2.gz KTWYHOKJLSWMRK-UHFFFAOYSA-N 1 2 353.470 3.216 20 30 FGEDLO Cc1cc(NC(=O)N2CCOCC3(CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329479116 499126792 /nfs/dbraw/zinc/12/67/92/499126792.db2.gz VCXMSOQWJGVZGT-INIZCTEOSA-N 1 2 358.486 3.427 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000367258860 499169279 /nfs/dbraw/zinc/16/92/79/499169279.db2.gz SPYRKSKGIPERSQ-FPOVZHCZSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000367258860 499169282 /nfs/dbraw/zinc/16/92/82/499169282.db2.gz SPYRKSKGIPERSQ-FPOVZHCZSA-N 1 2 361.530 3.198 20 30 FGEDLO Cc1noc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C2CCOCC2)n1 ZINC000370295989 499206764 /nfs/dbraw/zinc/20/67/64/499206764.db2.gz GCSYLYLVHVXYAJ-LJQANCHMSA-N 1 2 370.453 3.318 20 30 FGEDLO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000370542805 499230414 /nfs/dbraw/zinc/23/04/14/499230414.db2.gz UQXOXLRRTHGBKJ-SFHVURJKSA-N 1 2 363.396 3.078 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367855459 499238549 /nfs/dbraw/zinc/23/85/49/499238549.db2.gz HPCNDGKCMPDYJE-KRWDZBQOSA-N 1 2 354.454 3.074 20 30 FGEDLO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2C#N)n1 ZINC000367895684 499242584 /nfs/dbraw/zinc/24/25/84/499242584.db2.gz HZQMFSLUKXBNTH-KRWDZBQOSA-N 1 2 374.286 3.194 20 30 FGEDLO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccc(Br)cc2C#N)n1 ZINC000367895684 499242586 /nfs/dbraw/zinc/24/25/86/499242586.db2.gz HZQMFSLUKXBNTH-KRWDZBQOSA-N 1 2 374.286 3.194 20 30 FGEDLO Cn1c2ccc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2sc1=O ZINC000368439786 499296118 /nfs/dbraw/zinc/29/61/18/499296118.db2.gz XZOKYTULKODPQW-SFHVURJKSA-N 1 2 365.458 3.045 20 30 FGEDLO Cn1c2ccc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2sc1=O ZINC000368439786 499296119 /nfs/dbraw/zinc/29/61/19/499296119.db2.gz XZOKYTULKODPQW-SFHVURJKSA-N 1 2 365.458 3.045 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CCO2)c1 ZINC000371293793 499306578 /nfs/dbraw/zinc/30/65/78/499306578.db2.gz XPZKWIQRAHEYSU-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3F)CCO2)c1 ZINC000371293793 499306580 /nfs/dbraw/zinc/30/65/80/499306580.db2.gz XPZKWIQRAHEYSU-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO CCOc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491903 499408537 /nfs/dbraw/zinc/40/85/37/499408537.db2.gz SYWUHMDMWNZOJQ-VFNWGFHPSA-N 1 2 365.408 3.070 20 30 FGEDLO CCOc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1F ZINC000369491903 499408539 /nfs/dbraw/zinc/40/85/39/499408539.db2.gz SYWUHMDMWNZOJQ-VFNWGFHPSA-N 1 2 365.408 3.070 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372996909 499446656 /nfs/dbraw/zinc/44/66/56/499446656.db2.gz MJPLAVWZVNKYRE-UHFFFAOYSA-N 1 2 354.454 3.126 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000378395227 499511648 /nfs/dbraw/zinc/51/16/48/499511648.db2.gz LKQUTSBIEQDSHL-UHFFFAOYSA-N 1 2 366.852 3.012 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000378395227 499511650 /nfs/dbraw/zinc/51/16/50/499511650.db2.gz LKQUTSBIEQDSHL-UHFFFAOYSA-N 1 2 366.852 3.012 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1OC ZINC000378412703 499513842 /nfs/dbraw/zinc/51/38/42/499513842.db2.gz RRJOMOVJNMEQCU-MNDMWVCDSA-N 1 2 353.422 3.360 20 30 FGEDLO C=CCOc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000378444146 499517829 /nfs/dbraw/zinc/51/78/29/499517829.db2.gz WCCQTCDXTSUPRW-KRWDZBQOSA-N 1 2 361.438 3.399 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000378454994 499518877 /nfs/dbraw/zinc/51/88/77/499518877.db2.gz ADSOBDLZOWOOCY-QGZVFWFLSA-N 1 2 371.872 3.157 20 30 FGEDLO CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000378483823 499522691 /nfs/dbraw/zinc/52/26/91/499522691.db2.gz JLTMUAWIYIPOER-UHFFFAOYSA-N 1 2 364.287 3.155 20 30 FGEDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000378483823 499522692 /nfs/dbraw/zinc/52/26/92/499522692.db2.gz JLTMUAWIYIPOER-UHFFFAOYSA-N 1 2 364.287 3.155 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)c(C#N)c1C ZINC000378599495 499536334 /nfs/dbraw/zinc/53/63/34/499536334.db2.gz VHKFUCKSSOYOBQ-YOEHRIQHSA-N 1 2 359.470 3.234 20 30 FGEDLO CC[C@](C)(C#N)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000375616213 499538142 /nfs/dbraw/zinc/53/81/42/499538142.db2.gz GECLOEHDDVYQFI-HXUWFJFHSA-N 1 2 357.502 3.276 20 30 FGEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000375697538 499546347 /nfs/dbraw/zinc/54/63/47/499546347.db2.gz NVQRPSNTUFAYKR-ADKAHSJRSA-N 1 2 354.498 3.022 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000376514052 499614308 /nfs/dbraw/zinc/61/43/08/499614308.db2.gz XPWYWMSCHRQAJR-AWEZNQCLSA-N 1 2 357.255 3.490 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000376514052 499614309 /nfs/dbraw/zinc/61/43/09/499614309.db2.gz XPWYWMSCHRQAJR-AWEZNQCLSA-N 1 2 357.255 3.490 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000376698281 499629978 /nfs/dbraw/zinc/62/99/78/499629978.db2.gz CLCZKUVBUMCVOM-MRXNPFEDSA-N 1 2 367.428 3.500 20 30 FGEDLO C=CCOc1ccc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)cc1OC ZINC000376737215 499633135 /nfs/dbraw/zinc/63/31/35/499633135.db2.gz AJLXALYSLWMTOG-IBGZPJMESA-N 1 2 373.453 3.209 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376962544 499649795 /nfs/dbraw/zinc/64/97/95/499649795.db2.gz VNSCAODKJYBSCD-HKUYNNGSSA-N 1 2 362.395 3.018 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376962544 499649796 /nfs/dbraw/zinc/64/97/96/499649796.db2.gz VNSCAODKJYBSCD-HKUYNNGSSA-N 1 2 362.395 3.018 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000410343308 499656257 /nfs/dbraw/zinc/65/62/57/499656257.db2.gz CAONSMNWNBTMEF-LJQANCHMSA-N 1 2 371.525 3.474 20 30 FGEDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H]1c1ccccc1Cl ZINC000377139622 499665637 /nfs/dbraw/zinc/66/56/37/499665637.db2.gz IXBBOWYBWHLZSI-MRXNPFEDSA-N 1 2 357.801 3.008 20 30 FGEDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H]1c1ccccc1Cl ZINC000377139622 499665639 /nfs/dbraw/zinc/66/56/39/499665639.db2.gz IXBBOWYBWHLZSI-MRXNPFEDSA-N 1 2 357.801 3.008 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)C2 ZINC000377375557 499684942 /nfs/dbraw/zinc/68/49/42/499684942.db2.gz WDLZNCLRXFDBGL-KRWDZBQOSA-N 1 2 356.429 3.475 20 30 FGEDLO N#CCc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000411013764 499690098 /nfs/dbraw/zinc/69/00/98/499690098.db2.gz JJETYPVNMXLXKK-UHFFFAOYSA-N 1 2 369.852 3.491 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411187502 499708419 /nfs/dbraw/zinc/70/84/19/499708419.db2.gz BCKFWWWNXLEVNM-GOSISDBHSA-N 1 2 362.458 3.285 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411187502 499708421 /nfs/dbraw/zinc/70/84/21/499708421.db2.gz BCKFWWWNXLEVNM-GOSISDBHSA-N 1 2 362.458 3.285 20 30 FGEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000411205170 499710820 /nfs/dbraw/zinc/71/08/20/499710820.db2.gz ZYAKALPDCXBUFQ-OAHLLOKOSA-N 1 2 367.449 3.425 20 30 FGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000411205170 499710821 /nfs/dbraw/zinc/71/08/21/499710821.db2.gz ZYAKALPDCXBUFQ-OAHLLOKOSA-N 1 2 367.449 3.425 20 30 FGEDLO N#C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCN1C1CC1 ZINC000377664279 499717166 /nfs/dbraw/zinc/71/71/66/499717166.db2.gz AMMMTZUGGKSVPN-KRWDZBQOSA-N 1 2 363.421 3.078 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000377768943 499730902 /nfs/dbraw/zinc/73/09/02/499730902.db2.gz LCQXMAZPWDVQQE-GOSISDBHSA-N 1 2 365.481 3.284 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 ZINC000377768943 499730904 /nfs/dbraw/zinc/73/09/04/499730904.db2.gz LCQXMAZPWDVQQE-GOSISDBHSA-N 1 2 365.481 3.284 20 30 FGEDLO N#Cc1cnc2c(Br)cccc2c1N1CCn2c[nH+]cc2C1 ZINC000377980648 499753003 /nfs/dbraw/zinc/75/30/03/499753003.db2.gz AUBCRRZUQYMCEL-UHFFFAOYSA-N 1 2 354.211 3.086 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945222 499965561 /nfs/dbraw/zinc/96/55/61/499965561.db2.gz KCTVZLNNUFYUQH-RRQGHBQHSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945222 499965564 /nfs/dbraw/zinc/96/55/64/499965564.db2.gz KCTVZLNNUFYUQH-RRQGHBQHSA-N 1 2 368.399 3.254 20 30 FGEDLO Cc1c(Cl)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nn1C ZINC000421358369 500024966 /nfs/dbraw/zinc/02/49/66/500024966.db2.gz SQQRHVJYAHWTKC-UHFFFAOYSA-N 1 2 362.836 3.436 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C#N)c(F)c3)CCCC2)no1 ZINC000421361544 500025765 /nfs/dbraw/zinc/02/57/65/500025765.db2.gz HFHHQYMPCHPADY-UHFFFAOYSA-N 1 2 371.460 3.481 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429238400 500030906 /nfs/dbraw/zinc/03/09/06/500030906.db2.gz NLKZWVMCPDVCFR-KRWDZBQOSA-N 1 2 372.488 3.021 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429238400 500030910 /nfs/dbraw/zinc/03/09/10/500030910.db2.gz NLKZWVMCPDVCFR-KRWDZBQOSA-N 1 2 372.488 3.021 20 30 FGEDLO COc1cc(Br)c(CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425225258 500049576 /nfs/dbraw/zinc/04/95/76/500049576.db2.gz MAQKZAZCRWLPTN-UHFFFAOYSA-N 1 2 362.227 3.075 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000416690314 500088017 /nfs/dbraw/zinc/08/80/17/500088017.db2.gz PXXJXBDBWRLBIF-IBGZPJMESA-N 1 2 363.465 3.010 20 30 FGEDLO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000425509089 500127354 /nfs/dbraw/zinc/12/73/54/500127354.db2.gz IANOEURSPGONLM-FQEVSTJZSA-N 1 2 368.437 3.162 20 30 FGEDLO CC[C@@](C)(C(=O)OC)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000425509089 500127359 /nfs/dbraw/zinc/12/73/59/500127359.db2.gz IANOEURSPGONLM-FQEVSTJZSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1cccnc1OC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000429711926 500128617 /nfs/dbraw/zinc/12/86/17/500128617.db2.gz AGRHLFTULDHVEK-MRXNPFEDSA-N 1 2 364.449 3.132 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000414116008 500157177 /nfs/dbraw/zinc/15/71/77/500157177.db2.gz VUNGCDQAGOURTK-SFHVURJKSA-N 1 2 372.852 3.156 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000414116008 500157180 /nfs/dbraw/zinc/15/71/80/500157180.db2.gz VUNGCDQAGOURTK-SFHVURJKSA-N 1 2 372.852 3.156 20 30 FGEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000430877297 500300529 /nfs/dbraw/zinc/30/05/29/500300529.db2.gz WKKLMYZVPYKHAQ-UHFFFAOYSA-N 1 2 354.498 3.198 20 30 FGEDLO C=CCC(C)(C)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000430877297 500300532 /nfs/dbraw/zinc/30/05/32/500300532.db2.gz WKKLMYZVPYKHAQ-UHFFFAOYSA-N 1 2 354.498 3.198 20 30 FGEDLO N#CCCC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1ccccc1 ZINC000431144126 500341123 /nfs/dbraw/zinc/34/11/23/500341123.db2.gz QTEXWYGXWWHFLC-QGZVFWFLSA-N 1 2 370.420 3.453 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1cccs1 ZINC000426996232 500342654 /nfs/dbraw/zinc/34/26/54/500342654.db2.gz YMQQCLSFNQAHRN-UHFFFAOYSA-N 1 2 366.408 3.367 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1cccs1 ZINC000426996232 500342659 /nfs/dbraw/zinc/34/26/59/500342659.db2.gz YMQQCLSFNQAHRN-UHFFFAOYSA-N 1 2 366.408 3.367 20 30 FGEDLO COC1(C(F)(F)F)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000419340243 500356061 /nfs/dbraw/zinc/35/60/61/500356061.db2.gz YPRUWCVXDXTNSD-UHFFFAOYSA-N 1 2 366.343 3.152 20 30 FGEDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419388965 500360147 /nfs/dbraw/zinc/36/01/47/500360147.db2.gz KUSMQCBVFBQQEY-MRXNPFEDSA-N 1 2 352.394 3.213 20 30 FGEDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419388965 500360148 /nfs/dbraw/zinc/36/01/48/500360148.db2.gz KUSMQCBVFBQQEY-MRXNPFEDSA-N 1 2 352.394 3.213 20 30 FGEDLO N#CC1(CNC(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCC1 ZINC000419493921 500371294 /nfs/dbraw/zinc/37/12/94/500371294.db2.gz IRXCRINCUZZCSZ-UHFFFAOYSA-N 1 2 351.454 3.009 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)nn1 ZINC000424166343 500462607 /nfs/dbraw/zinc/46/26/07/500462607.db2.gz ANDHAOBBWISRBD-UHFFFAOYSA-N 1 2 356.861 3.210 20 30 FGEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420924695 500531765 /nfs/dbraw/zinc/53/17/65/500531765.db2.gz KGKOPWFDGXXJNG-TZMCWYRMSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420924695 500531768 /nfs/dbraw/zinc/53/17/68/500531768.db2.gz KGKOPWFDGXXJNG-TZMCWYRMSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@H](Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573480002 506201391 /nfs/dbraw/zinc/20/13/91/506201391.db2.gz CIRBPJQHWARAMO-UWJYYQICSA-N 1 2 352.482 3.478 20 30 FGEDLO C[C@H](Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573480002 506201395 /nfs/dbraw/zinc/20/13/95/506201395.db2.gz CIRBPJQHWARAMO-UWJYYQICSA-N 1 2 352.482 3.478 20 30 FGEDLO CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428787843 500557882 /nfs/dbraw/zinc/55/78/82/500557882.db2.gz QTGVGNHPEQENAJ-GOSISDBHSA-N 1 2 366.465 3.118 20 30 FGEDLO CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C ZINC000428787843 500557885 /nfs/dbraw/zinc/55/78/85/500557885.db2.gz QTGVGNHPEQENAJ-GOSISDBHSA-N 1 2 366.465 3.118 20 30 FGEDLO C[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)CC(C)(C)C#N ZINC000433294786 500664032 /nfs/dbraw/zinc/66/40/32/500664032.db2.gz AXJUVQULSIQTDG-UHFFFAOYSA-N 1 2 369.465 3.094 20 30 FGEDLO C[N@@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)CC(C)(C)C#N ZINC000433294786 500664035 /nfs/dbraw/zinc/66/40/35/500664035.db2.gz AXJUVQULSIQTDG-UHFFFAOYSA-N 1 2 369.465 3.094 20 30 FGEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)s1 ZINC000437896869 500713930 /nfs/dbraw/zinc/71/39/30/500713930.db2.gz BHEDCHMJWXHRFJ-UHFFFAOYSA-N 1 2 364.421 3.247 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000438002646 500727218 /nfs/dbraw/zinc/72/72/18/500727218.db2.gz UNRHLRSFBMSMCW-AZNZRYBASA-N 1 2 369.509 3.008 20 30 FGEDLO COc1ccc(C[NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)cc1F ZINC000448531978 500768223 /nfs/dbraw/zinc/76/82/23/500768223.db2.gz LCLNJLIXGUOXOY-UHFFFAOYSA-N 1 2 356.416 3.143 20 30 FGEDLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448580754 500776259 /nfs/dbraw/zinc/77/62/59/500776259.db2.gz ZLLKILPRQNGTNC-FYYLOGMGSA-N 1 2 359.473 3.180 20 30 FGEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588148359 506217643 /nfs/dbraw/zinc/21/76/43/506217643.db2.gz SABAPDNUBHPIQF-UHFFFAOYSA-N 1 2 367.497 3.069 20 30 FGEDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439023385 500848255 /nfs/dbraw/zinc/84/82/55/500848255.db2.gz QFPHDZNCHSGWGT-MOPGFXCFSA-N 1 2 365.502 3.376 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579044 506220453 /nfs/dbraw/zinc/22/04/53/506220453.db2.gz HDMGGZQFGHHZGH-GDBMZVCRSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579044 506220457 /nfs/dbraw/zinc/22/04/57/506220457.db2.gz HDMGGZQFGHHZGH-GDBMZVCRSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434617711 500867044 /nfs/dbraw/zinc/86/70/44/500867044.db2.gz MMBGVAAMYIHPMQ-ZGOJQLDESA-N 1 2 373.472 3.339 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOc2c(F)cccc2C1 ZINC000434617711 500867046 /nfs/dbraw/zinc/86/70/46/500867046.db2.gz MMBGVAAMYIHPMQ-ZGOJQLDESA-N 1 2 373.472 3.339 20 30 FGEDLO C=C1CC[NH+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000449022970 500900986 /nfs/dbraw/zinc/90/09/86/500900986.db2.gz MFRRCNJKLHUJTB-CYBMUJFWSA-N 1 2 367.287 3.114 20 30 FGEDLO C=CCOc1cccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000436421658 501124121 /nfs/dbraw/zinc/12/41/21/501124121.db2.gz XMZPVCOSRNVMNF-UHFFFAOYSA-N 1 2 352.413 3.320 20 30 FGEDLO Cc1ccc(Br)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000450223222 501213465 /nfs/dbraw/zinc/21/34/65/501213465.db2.gz KCWURQBKUYRGOB-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000457634008 501273056 /nfs/dbraw/zinc/27/30/56/501273056.db2.gz ZGPJJXOFHLBOQH-UYAOXDASSA-N 1 2 353.466 3.261 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546812 501319217 /nfs/dbraw/zinc/31/92/17/501319217.db2.gz JWLXYTCROUSEDG-OAHLLOKOSA-N 1 2 370.434 3.346 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546812 501319219 /nfs/dbraw/zinc/31/92/19/501319219.db2.gz JWLXYTCROUSEDG-OAHLLOKOSA-N 1 2 370.434 3.346 20 30 FGEDLO C=CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000453570058 501350665 /nfs/dbraw/zinc/35/06/65/501350665.db2.gz CADRYXQWFSXZGM-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO C=CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000453570058 501350668 /nfs/dbraw/zinc/35/06/68/501350668.db2.gz CADRYXQWFSXZGM-HNNXBMFYSA-N 1 2 357.479 3.054 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451796658 501373640 /nfs/dbraw/zinc/37/36/40/501373640.db2.gz HQWDHGRAHFJUKF-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451796658 501373643 /nfs/dbraw/zinc/37/36/43/501373643.db2.gz HQWDHGRAHFJUKF-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451803388 501374933 /nfs/dbraw/zinc/37/49/33/501374933.db2.gz UZYUOHUUTXXQBA-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451803388 501374937 /nfs/dbraw/zinc/37/49/37/501374937.db2.gz UZYUOHUUTXXQBA-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626830 501492507 /nfs/dbraw/zinc/49/25/07/501492507.db2.gz PVHSWXBQKBHLRC-SJORKVTESA-N 1 2 351.853 3.279 20 30 FGEDLO CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626830 501492510 /nfs/dbraw/zinc/49/25/10/501492510.db2.gz PVHSWXBQKBHLRC-SJORKVTESA-N 1 2 351.853 3.279 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000454317274 501511702 /nfs/dbraw/zinc/51/17/02/501511702.db2.gz JEMDVULRQQMYSL-UHFFFAOYSA-N 1 2 367.428 3.082 20 30 FGEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000459283612 501625004 /nfs/dbraw/zinc/62/50/04/501625004.db2.gz ABKQDUAPTRJENO-OAHLLOKOSA-N 1 2 353.378 3.128 20 30 FGEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000459283612 501625006 /nfs/dbraw/zinc/62/50/06/501625006.db2.gz ABKQDUAPTRJENO-OAHLLOKOSA-N 1 2 353.378 3.128 20 30 FGEDLO CC(C)c1nc(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)no1 ZINC000459322925 501630565 /nfs/dbraw/zinc/63/05/65/501630565.db2.gz ISWBVTCMUQPCSS-UHFFFAOYSA-N 1 2 355.398 3.352 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)no1 ZINC000459332206 501632798 /nfs/dbraw/zinc/63/27/98/501632798.db2.gz XEXLUSMJGPFOCC-CQSZACIVSA-N 1 2 355.398 3.352 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)no1 ZINC000459332206 501632799 /nfs/dbraw/zinc/63/27/99/501632799.db2.gz XEXLUSMJGPFOCC-CQSZACIVSA-N 1 2 355.398 3.352 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000459389540 501644884 /nfs/dbraw/zinc/64/48/84/501644884.db2.gz QYOONMJHAKAVDS-HXUWFJFHSA-N 1 2 365.389 3.479 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000459457843 501657438 /nfs/dbraw/zinc/65/74/38/501657438.db2.gz QFVCJTVINZOZCL-UHFFFAOYSA-N 1 2 351.406 3.241 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000459457843 501657440 /nfs/dbraw/zinc/65/74/40/501657440.db2.gz QFVCJTVINZOZCL-UHFFFAOYSA-N 1 2 351.406 3.241 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000457513468 501714245 /nfs/dbraw/zinc/71/42/45/501714245.db2.gz ARDUUKFXEJDTTF-IOMROCGXSA-N 1 2 372.509 3.272 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@@H](CC)O[C@@H](C)C3)c2C#N)C[C@@H](C)O1 ZINC000596119064 506269052 /nfs/dbraw/zinc/26/90/52/506269052.db2.gz KARIGYIYZCZCJS-XMTFNYHQSA-N 1 2 372.513 3.269 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000457535523 501718259 /nfs/dbraw/zinc/71/82/59/501718259.db2.gz JRPWHJHGALCLEF-OAHLLOKOSA-N 1 2 359.861 3.402 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000457543784 501719074 /nfs/dbraw/zinc/71/90/74/501719074.db2.gz UJKLTEGCOAXLBT-OAHLLOKOSA-N 1 2 359.861 3.354 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)cc1 ZINC000474187667 501737139 /nfs/dbraw/zinc/73/71/39/501737139.db2.gz FZCGENAEUVHLFF-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000463582327 501767978 /nfs/dbraw/zinc/76/79/78/501767978.db2.gz IGXRMYDMFMDNRJ-HNNXBMFYSA-N 1 2 355.438 3.072 20 30 FGEDLO COCCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000460364044 501804751 /nfs/dbraw/zinc/80/47/51/501804751.db2.gz QZOVZZXZPWNGGT-UHFFFAOYSA-N 1 2 360.417 3.096 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000485480366 501833340 /nfs/dbraw/zinc/83/33/40/501833340.db2.gz ZUBVAUQDWHZFIF-UHFFFAOYSA-N 1 2 353.401 3.063 20 30 FGEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000467987930 501922641 /nfs/dbraw/zinc/92/26/41/501922641.db2.gz ICEDHGJRRBYPPJ-GOSISDBHSA-N 1 2 371.824 3.273 20 30 FGEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000467987930 501922649 /nfs/dbraw/zinc/92/26/49/501922649.db2.gz ICEDHGJRRBYPPJ-GOSISDBHSA-N 1 2 371.824 3.273 20 30 FGEDLO N#Cc1ccc(N2CCC(Nc3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)nc1 ZINC000599039640 506288880 /nfs/dbraw/zinc/28/88/80/506288880.db2.gz DNUZUOXHWNTTNV-UHFFFAOYSA-N 1 2 374.404 3.491 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCCCC#N)c1 ZINC000479006464 502139193 /nfs/dbraw/zinc/13/91/93/502139193.db2.gz MXDUPEUATHOCID-UHFFFAOYSA-N 1 2 367.453 3.099 20 30 FGEDLO Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000461718010 502178435 /nfs/dbraw/zinc/17/84/35/502178435.db2.gz LDTMTWFHUVDXPR-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO N#CCCCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000588663336 506298163 /nfs/dbraw/zinc/29/81/63/506298163.db2.gz VXDSAKDHHWKVRQ-UHFFFAOYSA-N 1 2 350.466 3.485 20 30 FGEDLO C[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000461782020 502199609 /nfs/dbraw/zinc/19/96/09/502199609.db2.gz XRRHQJJPHQQHSE-KRWDZBQOSA-N 1 2 358.445 3.265 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000479271858 502212205 /nfs/dbraw/zinc/21/22/05/502212205.db2.gz BYOGYFSJIGCCRH-UHFFFAOYSA-N 1 2 370.501 3.213 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599060403 506300998 /nfs/dbraw/zinc/30/09/98/506300998.db2.gz SKDRPDQGLHLDJS-UHFFFAOYSA-N 1 2 367.497 3.325 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC000461917289 502235592 /nfs/dbraw/zinc/23/55/92/502235592.db2.gz LZEHWISQRKWDSB-KRWDZBQOSA-N 1 2 362.477 3.048 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000486812478 502272071 /nfs/dbraw/zinc/27/20/71/502272071.db2.gz ZWRFZOFSNOLPMQ-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)C[C@@H](C)O1 ZINC000602795955 506303443 /nfs/dbraw/zinc/30/34/43/506303443.db2.gz PGFQIJWXRKAYGQ-WOCWXWTJSA-N 1 2 370.497 3.452 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462123256 502314962 /nfs/dbraw/zinc/31/49/62/502314962.db2.gz XDILSDPCGKANLE-QGZVFWFLSA-N 1 2 363.461 3.441 20 30 FGEDLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483405614 502376712 /nfs/dbraw/zinc/37/67/12/502376712.db2.gz KTJRWEVRXNALMD-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483405614 502376730 /nfs/dbraw/zinc/37/67/30/502376730.db2.gz KTJRWEVRXNALMD-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000487261606 502404348 /nfs/dbraw/zinc/40/43/48/502404348.db2.gz BMIBCTJAJULBON-GFCCVEGCSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000487261606 502404354 /nfs/dbraw/zinc/40/43/54/502404354.db2.gz BMIBCTJAJULBON-GFCCVEGCSA-N 1 2 361.417 3.292 20 30 FGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)CC1 ZINC000476251261 502430765 /nfs/dbraw/zinc/43/07/65/502430765.db2.gz PHXJGBXPMNQHTC-UHFFFAOYSA-N 1 2 358.482 3.094 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 ZINC000611815205 506317388 /nfs/dbraw/zinc/31/73/88/506317388.db2.gz AUXDTYJWYBZVJZ-UHFFFAOYSA-N 1 2 374.404 3.298 20 30 FGEDLO CC[C@H]1CN(c2cc(C)[nH+]c(N3CCCO[C@@H](CC)C3)c2C#N)CCCO1 ZINC000596220665 506317907 /nfs/dbraw/zinc/31/79/07/506317907.db2.gz QIVJIZIOMUPIHO-ROUUACIJSA-N 1 2 372.513 3.272 20 30 FGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000484329034 502625752 /nfs/dbraw/zinc/62/57/52/502625752.db2.gz ZXCSSPAMNGMJEQ-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO COC(=O)[C@@H](C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000484334721 502627131 /nfs/dbraw/zinc/62/71/31/502627131.db2.gz WJVWUJIUTSKYQC-CYBMUJFWSA-N 1 2 355.356 3.353 20 30 FGEDLO COC(=O)[C@@H](C)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000484334721 502627137 /nfs/dbraw/zinc/62/71/37/502627137.db2.gz WJVWUJIUTSKYQC-CYBMUJFWSA-N 1 2 355.356 3.353 20 30 FGEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC000462954378 502640820 /nfs/dbraw/zinc/64/08/20/502640820.db2.gz FLYRQSMUZOLJRE-UHFFFAOYSA-N 1 2 357.410 3.217 20 30 FGEDLO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC000462954378 502640822 /nfs/dbraw/zinc/64/08/22/502640822.db2.gz FLYRQSMUZOLJRE-UHFFFAOYSA-N 1 2 357.410 3.217 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000593008314 506331865 /nfs/dbraw/zinc/33/18/65/506331865.db2.gz LAEPWCJWQXQUPL-UHFFFAOYSA-N 1 2 354.429 3.202 20 30 FGEDLO CC(C)Oc1ccnc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000593008314 506331876 /nfs/dbraw/zinc/33/18/76/506331876.db2.gz LAEPWCJWQXQUPL-UHFFFAOYSA-N 1 2 354.429 3.202 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000488862094 502827555 /nfs/dbraw/zinc/82/75/55/502827555.db2.gz HEZINGQAWNRVNX-GOSISDBHSA-N 1 2 352.438 3.093 20 30 FGEDLO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000488951035 502846022 /nfs/dbraw/zinc/84/60/22/502846022.db2.gz IBPMQXRKYVEQRU-RTBURBONSA-N 1 2 369.509 3.050 20 30 FGEDLO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000500834166 502874387 /nfs/dbraw/zinc/87/43/87/502874387.db2.gz JOCAWBORZZJINU-UWVAXJGDSA-N 1 2 354.498 3.210 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602898191 506342656 /nfs/dbraw/zinc/34/26/56/506342656.db2.gz OOCIKTWFXNIZOR-MRXNPFEDSA-N 1 2 373.460 3.333 20 30 FGEDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489625016 503000443 /nfs/dbraw/zinc/00/04/43/503000443.db2.gz TXXXRPXZPQVZRT-UHFFFAOYSA-N 1 2 352.409 3.404 20 30 FGEDLO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506203815 503069237 /nfs/dbraw/zinc/06/92/37/503069237.db2.gz FGVKEKKRVLHCPI-SFHVURJKSA-N 1 2 360.421 3.143 20 30 FGEDLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)nn1-c1cccc(C#N)c1 ZINC000506211864 503070308 /nfs/dbraw/zinc/07/03/08/503070308.db2.gz VCKBVEYSNBBRNR-UHFFFAOYSA-N 1 2 374.448 3.070 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1C ZINC000602926420 506354512 /nfs/dbraw/zinc/35/45/12/506354512.db2.gz QDDSNLZOHSBHRX-UHFFFAOYSA-N 1 2 350.426 3.074 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1C ZINC000602926420 506354515 /nfs/dbraw/zinc/35/45/15/506354515.db2.gz QDDSNLZOHSBHRX-UHFFFAOYSA-N 1 2 350.426 3.074 20 30 FGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000506660630 503151718 /nfs/dbraw/zinc/15/17/18/503151718.db2.gz CJJLTHQQLIKDJZ-UHFFFAOYSA-N 1 2 358.392 3.185 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000510872171 503207602 /nfs/dbraw/zinc/20/76/02/503207602.db2.gz KRPYODIBQRFCRK-UHFFFAOYSA-N 1 2 361.436 3.081 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000502548942 503222730 /nfs/dbraw/zinc/22/27/30/503222730.db2.gz QYCHITHQMVFORH-UHFFFAOYSA-N 1 2 362.389 3.194 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000502548942 503222732 /nfs/dbraw/zinc/22/27/32/503222732.db2.gz QYCHITHQMVFORH-UHFFFAOYSA-N 1 2 362.389 3.194 20 30 FGEDLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507275489 503266733 /nfs/dbraw/zinc/26/67/33/503266733.db2.gz CFQHTIFWEXMEQN-UHFFFAOYSA-N 1 2 356.514 3.109 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954025 506365247 /nfs/dbraw/zinc/36/52/47/506365247.db2.gz GFTZUOGTMQUVCR-GOSISDBHSA-N 1 2 355.463 3.184 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](CC)CO1 ZINC000593057570 506365434 /nfs/dbraw/zinc/36/54/34/506365434.db2.gz FVELRENJMFHKEO-RBUKOAKNSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](CC)CO1 ZINC000593057570 506365439 /nfs/dbraw/zinc/36/54/39/506365439.db2.gz FVELRENJMFHKEO-RBUKOAKNSA-N 1 2 357.498 3.440 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000515466739 503344158 /nfs/dbraw/zinc/34/41/58/503344158.db2.gz OPOWUZFVTVLUPU-QPJJXVBHSA-N 1 2 366.490 3.160 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CCN1CC(F)F ZINC000499242875 503363510 /nfs/dbraw/zinc/36/35/10/503363510.db2.gz LWRGYEIGWOCYPU-AWEZNQCLSA-N 1 2 359.367 3.321 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CCN1CC(F)F ZINC000499242875 503363508 /nfs/dbraw/zinc/36/35/08/503363508.db2.gz LWRGYEIGWOCYPU-AWEZNQCLSA-N 1 2 359.367 3.321 20 30 FGEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000492505996 503372739 /nfs/dbraw/zinc/37/27/39/503372739.db2.gz BVJSXCBHKKFUOY-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO C=CCN1CC[C@@H]([NH+]2CCC(c3ccccc3Br)CC2)C1=O ZINC000499721666 503466696 /nfs/dbraw/zinc/46/66/96/503466696.db2.gz WWZUUAQMINUUGW-QGZVFWFLSA-N 1 2 363.299 3.415 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1nc(CC)c(C)s1)Cc1ccc(CO)o1 ZINC000512168986 503475796 /nfs/dbraw/zinc/47/57/96/503475796.db2.gz MFSMIHKRJLZLNR-UHFFFAOYSA-N 1 2 363.483 3.116 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1nc(CC)c(C)s1)Cc1ccc(CO)o1 ZINC000512168986 503475798 /nfs/dbraw/zinc/47/57/98/503475798.db2.gz MFSMIHKRJLZLNR-UHFFFAOYSA-N 1 2 363.483 3.116 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(CO)o1 ZINC000512226928 503492146 /nfs/dbraw/zinc/49/21/46/503492146.db2.gz KOBXTXZGBVKJHW-UHFFFAOYSA-N 1 2 367.449 3.097 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(CO)o1 ZINC000512226928 503492147 /nfs/dbraw/zinc/49/21/47/503492147.db2.gz KOBXTXZGBVKJHW-UHFFFAOYSA-N 1 2 367.449 3.097 20 30 FGEDLO C=CCc1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc(OC)c1O ZINC000508486939 503503757 /nfs/dbraw/zinc/50/37/57/503503757.db2.gz FFOCOOVGFPZMJW-UHFFFAOYSA-N 1 2 350.422 3.381 20 30 FGEDLO C/C(=C/c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494286942 503519941 /nfs/dbraw/zinc/51/99/41/503519941.db2.gz FCNBJWZSKCJJTH-LGMDPLHJSA-N 1 2 354.475 3.367 20 30 FGEDLO C/C(=C/c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000494286942 503519944 /nfs/dbraw/zinc/51/99/44/503519944.db2.gz FCNBJWZSKCJJTH-LGMDPLHJSA-N 1 2 354.475 3.367 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H](C)C2)cc1 ZINC000512379016 503531780 /nfs/dbraw/zinc/53/17/80/503531780.db2.gz CZQLRJOKAMRIKE-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H](C)C2)cc1 ZINC000512379016 503531784 /nfs/dbraw/zinc/53/17/84/503531784.db2.gz CZQLRJOKAMRIKE-HNNXBMFYSA-N 1 2 367.424 3.195 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000516765937 503582664 /nfs/dbraw/zinc/58/26/64/503582664.db2.gz IELYTFPUAIISDM-INIZCTEOSA-N 1 2 357.397 3.145 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000516765937 503582668 /nfs/dbraw/zinc/58/26/68/503582668.db2.gz IELYTFPUAIISDM-INIZCTEOSA-N 1 2 357.397 3.145 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000512666075 503606968 /nfs/dbraw/zinc/60/69/68/503606968.db2.gz INBZCIVYXFSUDI-UHFFFAOYSA-N 1 2 360.461 3.099 20 30 FGEDLO CC1CCC(OC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000532958596 503675120 /nfs/dbraw/zinc/67/51/20/503675120.db2.gz OEPJZUJNQCVMQD-UPQHMETBSA-N 1 2 355.482 3.144 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532959809 503675533 /nfs/dbraw/zinc/67/55/33/503675533.db2.gz DZWYYTHRQPXMFR-XJKSGUPXSA-N 1 2 374.428 3.291 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532959809 503675537 /nfs/dbraw/zinc/67/55/37/503675537.db2.gz DZWYYTHRQPXMFR-XJKSGUPXSA-N 1 2 374.428 3.291 20 30 FGEDLO Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000543483921 503791709 /nfs/dbraw/zinc/79/17/09/503791709.db2.gz DUXDFBMOYLIATH-UHFFFAOYSA-N 1 2 366.812 3.365 20 30 FGEDLO CC[N@H+](CCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000540608462 503832199 /nfs/dbraw/zinc/83/21/99/503832199.db2.gz SNLFWSPIPBIWOG-UHFFFAOYSA-N 1 2 373.460 3.390 20 30 FGEDLO CC[N@@H+](CCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000540608462 503832204 /nfs/dbraw/zinc/83/22/04/503832204.db2.gz SNLFWSPIPBIWOG-UHFFFAOYSA-N 1 2 373.460 3.390 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546708118 503846059 /nfs/dbraw/zinc/84/60/59/503846059.db2.gz VDJKUPZHAJJFDP-GOSISDBHSA-N 1 2 361.405 3.211 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc([S@@](C)=O)cc1 ZINC000543909158 503938197 /nfs/dbraw/zinc/93/81/97/503938197.db2.gz SWTJTPFUNFIQHK-WHDAMIPWSA-N 1 2 366.446 3.196 20 30 FGEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc([S@](C)=O)cc1 ZINC000543909156 503938272 /nfs/dbraw/zinc/93/82/72/503938272.db2.gz SWTJTPFUNFIQHK-NRRJATNASA-N 1 2 366.446 3.196 20 30 FGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000540949706 503951773 /nfs/dbraw/zinc/95/17/73/503951773.db2.gz KAYMUEBIDVOIAK-AWEZNQCLSA-N 1 2 358.408 3.375 20 30 FGEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000540949706 503951776 /nfs/dbraw/zinc/95/17/76/503951776.db2.gz KAYMUEBIDVOIAK-AWEZNQCLSA-N 1 2 358.408 3.375 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000537617874 503976449 /nfs/dbraw/zinc/97/64/49/503976449.db2.gz JKXLYFALSLWKJR-CPJLOUKISA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000537617874 503976454 /nfs/dbraw/zinc/97/64/54/503976454.db2.gz JKXLYFALSLWKJR-CPJLOUKISA-N 1 2 354.475 3.090 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000533920297 503991239 /nfs/dbraw/zinc/99/12/39/503991239.db2.gz CYPYLAQHYQQYDV-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000530517469 503995861 /nfs/dbraw/zinc/99/58/61/503995861.db2.gz WOHQEOIFPVCEDP-QFIPXVFZSA-N 1 2 367.493 3.299 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000530517469 503995866 /nfs/dbraw/zinc/99/58/66/503995866.db2.gz WOHQEOIFPVCEDP-QFIPXVFZSA-N 1 2 367.493 3.299 20 30 FGEDLO C[C@H](C#N)C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000537660430 503996347 /nfs/dbraw/zinc/99/63/47/503996347.db2.gz FGSKWJKOOIKWHI-LLVKDONJSA-N 1 2 351.244 3.344 20 30 FGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000537660430 503996355 /nfs/dbraw/zinc/99/63/55/503996355.db2.gz FGSKWJKOOIKWHI-LLVKDONJSA-N 1 2 351.244 3.344 20 30 FGEDLO COCCOc1ccc(C#N)cc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000544169176 504032567 /nfs/dbraw/zinc/03/25/67/504032567.db2.gz MHBXGHACJKWMPR-UHFFFAOYSA-N 1 2 354.435 3.443 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201518 504039133 /nfs/dbraw/zinc/03/91/33/504039133.db2.gz PAVGXETZFRVECK-FQEVSTJZSA-N 1 2 366.465 3.161 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541283020 504073147 /nfs/dbraw/zinc/07/31/47/504073147.db2.gz XLYRJNJYDCQNQG-UHFFFAOYSA-N 1 2 363.461 3.109 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000530751318 504074059 /nfs/dbraw/zinc/07/40/59/504074059.db2.gz VBJZKXSSVTYJQP-RTBURBONSA-N 1 2 359.433 3.316 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848301 504078096 /nfs/dbraw/zinc/07/80/96/504078096.db2.gz ADNKGFHPUAPYPZ-STQMWFEESA-N 1 2 352.278 3.465 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000518848301 504078101 /nfs/dbraw/zinc/07/81/01/504078101.db2.gz ADNKGFHPUAPYPZ-STQMWFEESA-N 1 2 352.278 3.465 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000544467296 504144549 /nfs/dbraw/zinc/14/45/49/504144549.db2.gz YWKBQZMPRDNQLX-MDOVXXIYSA-N 1 2 354.454 3.435 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000544518987 504160518 /nfs/dbraw/zinc/16/05/18/504160518.db2.gz QWDUNAKSBOFTGG-KSMMKXTCSA-N 1 2 361.490 3.211 20 30 FGEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000547753628 504211710 /nfs/dbraw/zinc/21/17/10/504211710.db2.gz WLAIKMOUKHNMLE-YJBOKZPZSA-N 1 2 354.853 3.059 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547995145 504286690 /nfs/dbraw/zinc/28/66/90/504286690.db2.gz RQBCGENRGCPIDI-KBPBESRZSA-N 1 2 355.467 3.414 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)OC)c2C#N)o1 ZINC000545226620 504406070 /nfs/dbraw/zinc/40/60/70/504406070.db2.gz HCAAZINEYCGQRJ-GOSISDBHSA-N 1 2 354.406 3.421 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)OC)c2C#N)o1 ZINC000545226620 504406075 /nfs/dbraw/zinc/40/60/75/504406075.db2.gz HCAAZINEYCGQRJ-GOSISDBHSA-N 1 2 354.406 3.421 20 30 FGEDLO CC1CC(C#N)(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)C1 ZINC000531811161 504432609 /nfs/dbraw/zinc/43/26/09/504432609.db2.gz LIWQOAJGLLJUEV-UHFFFAOYSA-N 1 2 360.461 3.200 20 30 FGEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000535567512 504472811 /nfs/dbraw/zinc/47/28/11/504472811.db2.gz RTPKOECKHCIUBF-LJQANCHMSA-N 1 2 363.889 3.396 20 30 FGEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000535567512 504472817 /nfs/dbraw/zinc/47/28/17/504472817.db2.gz RTPKOECKHCIUBF-LJQANCHMSA-N 1 2 363.889 3.396 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1C#N ZINC000548630552 504502316 /nfs/dbraw/zinc/50/23/16/504502316.db2.gz JRDMIECPNUNDOZ-IBGZPJMESA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000548630552 504502321 /nfs/dbraw/zinc/50/23/21/504502321.db2.gz JRDMIECPNUNDOZ-IBGZPJMESA-N 1 2 352.434 3.043 20 30 FGEDLO N#CC1(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000539494037 504589124 /nfs/dbraw/zinc/58/91/24/504589124.db2.gz VKPJYAYRIFPORJ-OAHLLOKOSA-N 1 2 351.372 3.262 20 30 FGEDLO N#Cc1ccc(OCCNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000539866713 504722583 /nfs/dbraw/zinc/72/25/83/504722583.db2.gz RCWHTTXOWKHXSK-UHFFFAOYSA-N 1 2 374.444 3.371 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)c1 ZINC000562642127 504890914 /nfs/dbraw/zinc/89/09/14/504890914.db2.gz LUAXHAOTAIZYQG-HTAPYJJXSA-N 1 2 367.493 3.374 20 30 FGEDLO O=C1N=NC([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)O1 ZINC000559762355 504923982 /nfs/dbraw/zinc/92/39/82/504923982.db2.gz KKXPNIPETCNLCW-CYBMUJFWSA-N 1 2 351.328 3.025 20 30 FGEDLO O=C1N=NC([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)O1 ZINC000559762355 504923985 /nfs/dbraw/zinc/92/39/85/504923985.db2.gz KKXPNIPETCNLCW-CYBMUJFWSA-N 1 2 351.328 3.025 20 30 FGEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000557102551 505065864 /nfs/dbraw/zinc/06/58/64/505065864.db2.gz IVVBEVKPPFUCOL-XXBNENTESA-N 1 2 374.484 3.022 20 30 FGEDLO N#Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000554519340 505195622 /nfs/dbraw/zinc/19/56/22/505195622.db2.gz CYVNQBKKDGPELV-UHFFFAOYSA-N 1 2 362.231 3.119 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000551396379 505216739 /nfs/dbraw/zinc/21/67/39/505216739.db2.gz VAIGRAFMQOIPPD-GOSISDBHSA-N 1 2 360.383 3.483 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c1 ZINC000551405782 505220263 /nfs/dbraw/zinc/22/02/63/505220263.db2.gz BSGWCHYNDZKJJM-UHFFFAOYSA-N 1 2 361.361 3.295 20 30 FGEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000566648923 505231669 /nfs/dbraw/zinc/23/16/69/505231669.db2.gz DIPUMOIRYNIJBF-UHFFFAOYSA-N 1 2 355.404 3.120 20 30 FGEDLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000566648923 505231674 /nfs/dbraw/zinc/23/16/74/505231674.db2.gz DIPUMOIRYNIJBF-UHFFFAOYSA-N 1 2 355.404 3.120 20 30 FGEDLO CNc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000561043267 505236161 /nfs/dbraw/zinc/23/61/61/505236161.db2.gz QQIZFXYWLAMBCK-UHFFFAOYSA-N 1 2 368.868 3.211 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cn2c1 ZINC000563903066 505271119 /nfs/dbraw/zinc/27/11/19/505271119.db2.gz QDYROEMXJULUPR-HXUWFJFHSA-N 1 2 362.433 3.234 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1Cl ZINC000566877660 505298089 /nfs/dbraw/zinc/29/80/89/505298089.db2.gz UTDCAOHPFBDTCF-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(Br)cc1C#N ZINC000558083147 505303763 /nfs/dbraw/zinc/30/37/63/505303763.db2.gz UOOFMFHKYNZOFU-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(Br)cc1C#N ZINC000558083147 505303766 /nfs/dbraw/zinc/30/37/66/505303766.db2.gz UOOFMFHKYNZOFU-UHFFFAOYSA-N 1 2 352.276 3.059 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000561350576 505322620 /nfs/dbraw/zinc/32/26/20/505322620.db2.gz XSMGWKUHUKPUOS-GUDVDZBRSA-N 1 2 363.465 3.353 20 30 FGEDLO COC(=O)[C@H](c1ccccc1C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564152580 505339153 /nfs/dbraw/zinc/33/91/53/505339153.db2.gz PEAFJQQDQJZNHE-FQEVSTJZSA-N 1 2 352.434 3.229 20 30 FGEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564152580 505339156 /nfs/dbraw/zinc/33/91/56/505339156.db2.gz PEAFJQQDQJZNHE-FQEVSTJZSA-N 1 2 352.434 3.229 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@H]2C1 ZINC000555091740 505347393 /nfs/dbraw/zinc/34/73/93/505347393.db2.gz FYHBBVLMWAKGDQ-HYVNUMGLSA-N 1 2 354.372 3.345 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)[C@H]2C1 ZINC000555091740 505347397 /nfs/dbraw/zinc/34/73/97/505347397.db2.gz FYHBBVLMWAKGDQ-HYVNUMGLSA-N 1 2 354.372 3.345 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)c1C#N ZINC000555099298 505348784 /nfs/dbraw/zinc/34/87/84/505348784.db2.gz NMZIGJMWZSQHTK-UHFFFAOYSA-N 1 2 364.877 3.480 20 30 FGEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000567059898 505351606 /nfs/dbraw/zinc/35/16/06/505351606.db2.gz IOOXECJHMVZMAB-IRXDYDNUSA-N 1 2 363.461 3.123 20 30 FGEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000555268426 505395380 /nfs/dbraw/zinc/39/53/80/505395380.db2.gz LOFYLIQWACMUSF-MRXNPFEDSA-N 1 2 374.558 3.392 20 30 FGEDLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000558722520 505473491 /nfs/dbraw/zinc/47/34/91/505473491.db2.gz JSQHEGBCZLLGRL-UHFFFAOYSA-N 1 2 351.244 3.361 20 30 FGEDLO C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)n1cc[nH+]c1 ZINC000567476198 505475050 /nfs/dbraw/zinc/47/50/50/505475050.db2.gz DCSMEWFDBUXHDI-ZDUSSCGKSA-N 1 2 350.344 3.297 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000555650669 505486297 /nfs/dbraw/zinc/48/62/97/505486297.db2.gz AGUAJZRMLHBBAH-UHFFFAOYSA-N 1 2 371.444 3.463 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989770 505565904 /nfs/dbraw/zinc/56/59/04/505565904.db2.gz ZUMKZBMEJOIEMT-LJQANCHMSA-N 1 2 371.448 3.215 20 30 FGEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989770 505565905 /nfs/dbraw/zinc/56/59/05/505565905.db2.gz ZUMKZBMEJOIEMT-LJQANCHMSA-N 1 2 371.448 3.215 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCOCC1 ZINC000599388842 506438584 /nfs/dbraw/zinc/43/85/84/506438584.db2.gz RLMBOWORRPMOGP-GOSISDBHSA-N 1 2 373.884 3.182 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCOCC1 ZINC000599388842 506438586 /nfs/dbraw/zinc/43/85/86/506438586.db2.gz RLMBOWORRPMOGP-GOSISDBHSA-N 1 2 373.884 3.182 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000599392564 506438611 /nfs/dbraw/zinc/43/86/11/506438611.db2.gz WEVJVCLUPBWKDQ-MRXNPFEDSA-N 1 2 358.388 3.241 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000599392564 506438615 /nfs/dbraw/zinc/43/86/15/506438615.db2.gz WEVJVCLUPBWKDQ-MRXNPFEDSA-N 1 2 358.388 3.241 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515993 506483752 /nfs/dbraw/zinc/48/37/52/506483752.db2.gz JYEUEMNJEYKZJD-APWZRJJASA-N 1 2 355.388 3.242 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000599515993 506483754 /nfs/dbraw/zinc/48/37/54/506483754.db2.gz JYEUEMNJEYKZJD-APWZRJJASA-N 1 2 355.388 3.242 20 30 FGEDLO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2I)C1 ZINC000599526906 506486993 /nfs/dbraw/zinc/48/69/93/506486993.db2.gz WFCBLRCNRVSULO-LBPRGKRZSA-N 1 2 370.234 3.128 20 30 FGEDLO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2I)C1 ZINC000599526906 506486998 /nfs/dbraw/zinc/48/69/98/506486998.db2.gz WFCBLRCNRVSULO-LBPRGKRZSA-N 1 2 370.234 3.128 20 30 FGEDLO N#Cc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000589303353 506510209 /nfs/dbraw/zinc/51/02/09/506510209.db2.gz BIPRWSDWIMOQAY-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@H](CC#N)C2)C[C@H](C)O1 ZINC000596695777 506543539 /nfs/dbraw/zinc/54/35/39/506543539.db2.gz BNJLDQQRSBXIRZ-FGTMMUONSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@H](CC#N)C2)C[C@H](C)O1 ZINC000596695777 506543547 /nfs/dbraw/zinc/54/35/47/506543547.db2.gz BNJLDQQRSBXIRZ-FGTMMUONSA-N 1 2 370.497 3.453 20 30 FGEDLO C=CCCSCCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000596721265 506559280 /nfs/dbraw/zinc/55/92/80/506559280.db2.gz FSAMLBKWFONXBY-UHFFFAOYSA-N 1 2 358.511 3.382 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000599686805 506580763 /nfs/dbraw/zinc/58/07/63/506580763.db2.gz ZIORZFXSBHOOJM-UHFFFAOYSA-N 1 2 371.387 3.351 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C2 ZINC000599686805 506580770 /nfs/dbraw/zinc/58/07/70/506580770.db2.gz ZIORZFXSBHOOJM-UHFFFAOYSA-N 1 2 371.387 3.351 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599694717 506585691 /nfs/dbraw/zinc/58/56/91/506585691.db2.gz KIFWKOQLPOISGW-UHFFFAOYSA-N 1 2 355.388 3.122 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H](C#N)CC)cc1 ZINC000593450592 506625222 /nfs/dbraw/zinc/62/52/22/506625222.db2.gz OUCWOJSRAUARPF-SFHVURJKSA-N 1 2 354.454 3.250 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000593458992 506630914 /nfs/dbraw/zinc/63/09/14/506630914.db2.gz VZFMXNAZOBNVAL-HNNXBMFYSA-N 1 2 363.248 3.450 20 30 FGEDLO COc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1C#N ZINC000599817557 506654019 /nfs/dbraw/zinc/65/40/19/506654019.db2.gz WMCNBJDTLKLZDP-WBMJQRKESA-N 1 2 357.389 3.017 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131845 506785899 /nfs/dbraw/zinc/78/58/99/506785899.db2.gz YMYPJNWJBGKFAA-PKOBYXMFSA-N 1 2 352.438 3.022 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121527 506787187 /nfs/dbraw/zinc/78/71/87/506787187.db2.gz OZQMTCFAONQTAX-LJQANCHMSA-N 1 2 350.466 3.166 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121527 506787192 /nfs/dbraw/zinc/78/71/92/506787192.db2.gz OZQMTCFAONQTAX-LJQANCHMSA-N 1 2 350.466 3.166 20 30 FGEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(F)c1 ZINC000609239992 506823660 /nfs/dbraw/zinc/82/36/60/506823660.db2.gz QXBJQFWSFRVNQD-UHFFFAOYSA-N 1 2 373.457 3.461 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000604487652 506847073 /nfs/dbraw/zinc/84/70/73/506847073.db2.gz KZEVAQZQLIRQBX-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000604487652 506847079 /nfs/dbraw/zinc/84/70/79/506847079.db2.gz KZEVAQZQLIRQBX-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593965913 506855881 /nfs/dbraw/zinc/85/58/81/506855881.db2.gz ZFVYPVNCKCIMCP-KRWDZBQOSA-N 1 2 362.477 3.439 20 30 FGEDLO C[N@@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590580380 506867720 /nfs/dbraw/zinc/86/77/20/506867720.db2.gz CADJBCPJUMNMNJ-AAEUAGOBSA-N 1 2 354.813 3.226 20 30 FGEDLO C[N@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000590580380 506867726 /nfs/dbraw/zinc/86/77/26/506867726.db2.gz CADJBCPJUMNMNJ-AAEUAGOBSA-N 1 2 354.813 3.226 20 30 FGEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000609379285 506870919 /nfs/dbraw/zinc/87/09/19/506870919.db2.gz VOSPXAATFBYDBG-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCCCC1 ZINC000594053527 506908598 /nfs/dbraw/zinc/90/85/98/506908598.db2.gz CBSNTSQBECPSMO-AEFFLSMTSA-N 1 2 366.465 3.279 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609630674 506954357 /nfs/dbraw/zinc/95/43/57/506954357.db2.gz UPDGCRMUDKCQEV-QGZVFWFLSA-N 1 2 373.460 3.079 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000583780355 506967862 /nfs/dbraw/zinc/96/78/62/506967862.db2.gz LDHWMWJPLFVSGB-UHFFFAOYSA-N 1 2 372.494 3.005 20 30 FGEDLO COc1ccc([C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000609676935 506972396 /nfs/dbraw/zinc/97/23/96/506972396.db2.gz HMEAZNRPMZSLNE-FGZHOGPDSA-N 1 2 371.440 3.472 20 30 FGEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)C1 ZINC000609893563 507041632 /nfs/dbraw/zinc/04/16/32/507041632.db2.gz ZNXIGFVWQCABKS-YJBOKZPZSA-N 1 2 374.916 3.029 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000583942599 507061945 /nfs/dbraw/zinc/06/19/45/507061945.db2.gz JDKLMJMKWIZOMB-GFCCVEGCSA-N 1 2 374.466 3.048 20 30 FGEDLO CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)[C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000594428186 507127301 /nfs/dbraw/zinc/12/73/01/507127301.db2.gz WXAUMQACPJWEMZ-OAHLLOKOSA-N 1 2 354.458 3.119 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@H](CC#N)C3)c2C1 ZINC000597907273 507166505 /nfs/dbraw/zinc/16/65/05/507166505.db2.gz ZDBHKIRWQNPDMN-MRXNPFEDSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@H](CC#N)C3)c2C1 ZINC000597907273 507166514 /nfs/dbraw/zinc/16/65/14/507166514.db2.gz ZDBHKIRWQNPDMN-MRXNPFEDSA-N 1 2 362.477 3.379 20 30 FGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000610367604 507214957 /nfs/dbraw/zinc/21/49/57/507214957.db2.gz VWSQUJKYBMCWOP-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000610367604 507214965 /nfs/dbraw/zinc/21/49/65/507214965.db2.gz VWSQUJKYBMCWOP-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N4CC(CC#N)C4)cc3)[nH+]c12 ZINC000598033614 507228060 /nfs/dbraw/zinc/22/80/60/507228060.db2.gz POIROGCHVYFRQG-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO N#CC1(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000594716941 507249696 /nfs/dbraw/zinc/24/96/96/507249696.db2.gz FIACVEQFWDIMSW-CQSZACIVSA-N 1 2 350.260 3.039 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCO[C@H](c3ccccc3)C2)C1=O ZINC000610581909 507302145 /nfs/dbraw/zinc/30/21/45/507302145.db2.gz SODDSRSZDKXPKW-MSOLQXFVSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCO[C@H](c3ccccc3)C2)C1=O ZINC000610581909 507302149 /nfs/dbraw/zinc/30/21/49/507302149.db2.gz SODDSRSZDKXPKW-MSOLQXFVSA-N 1 2 367.474 3.189 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595092100 507386732 /nfs/dbraw/zinc/38/67/32/507386732.db2.gz WUBQGKVYMMNUIV-KRWDZBQOSA-N 1 2 353.426 3.481 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595288193 507448498 /nfs/dbraw/zinc/44/84/98/507448498.db2.gz LWANBJMCZHLNBY-UHFFFAOYSA-N 1 2 360.433 3.146 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000610987025 507468812 /nfs/dbraw/zinc/46/88/12/507468812.db2.gz OJURXOBMJOVFGF-OAHLLOKOSA-N 1 2 359.389 3.143 20 30 FGEDLO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000595396789 507480935 /nfs/dbraw/zinc/48/09/35/507480935.db2.gz ZGBKSHULJHTTRV-KRWDZBQOSA-N 1 2 360.866 3.215 20 30 FGEDLO C[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000595396789 507480941 /nfs/dbraw/zinc/48/09/41/507480941.db2.gz ZGBKSHULJHTTRV-KRWDZBQOSA-N 1 2 360.866 3.215 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000614397601 507496438 /nfs/dbraw/zinc/49/64/38/507496438.db2.gz HWNROQVOSPPAGY-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151043 507509057 /nfs/dbraw/zinc/50/90/57/507509057.db2.gz JOQQXHZXBAEILV-NQIIRXRSSA-N 1 2 360.417 3.176 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000592151043 507509060 /nfs/dbraw/zinc/50/90/60/507509060.db2.gz JOQQXHZXBAEILV-NQIIRXRSSA-N 1 2 360.417 3.176 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000592152487 507511310 /nfs/dbraw/zinc/51/13/10/507511310.db2.gz YBEKYOCNOXGPPB-INIZCTEOSA-N 1 2 351.328 3.211 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000592152487 507511316 /nfs/dbraw/zinc/51/13/16/507511316.db2.gz YBEKYOCNOXGPPB-INIZCTEOSA-N 1 2 351.328 3.211 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000611140018 507531748 /nfs/dbraw/zinc/53/17/48/507531748.db2.gz ITMSPNXTWZFYJI-GFCCVEGCSA-N 1 2 358.829 3.074 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000611140018 507531751 /nfs/dbraw/zinc/53/17/51/507531751.db2.gz ITMSPNXTWZFYJI-GFCCVEGCSA-N 1 2 358.829 3.074 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598649167 507533417 /nfs/dbraw/zinc/53/34/17/507533417.db2.gz IZOVFVAXOVZRBE-MRXNPFEDSA-N 1 2 356.438 3.136 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174752 507545975 /nfs/dbraw/zinc/54/59/75/507545975.db2.gz PUCHAEZEKZCCBL-GOSISDBHSA-N 1 2 362.477 3.212 20 30 FGEDLO CCOc1ccc(-c2nc(C[NH+]3CCN(CCC#N)CC3)cs2)cc1 ZINC000611175159 507546768 /nfs/dbraw/zinc/54/67/68/507546768.db2.gz XSOPYUXUHWAYFZ-UHFFFAOYSA-N 1 2 356.495 3.240 20 30 FGEDLO COc1ccccc1/C=C/C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260359 507587071 /nfs/dbraw/zinc/58/70/71/507587071.db2.gz VFGOUZNUORQRAM-GQCTYLIASA-N 1 2 364.449 3.268 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cscn2)cc1 ZINC000595669442 507619256 /nfs/dbraw/zinc/61/92/56/507619256.db2.gz UWAAROLLAKXOPA-CQSZACIVSA-N 1 2 358.467 3.139 20 30 FGEDLO N#CCc1cccc2c1CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC000602196247 507625720 /nfs/dbraw/zinc/62/57/20/507625720.db2.gz PGHUAAQYUITWAB-INIZCTEOSA-N 1 2 362.355 3.028 20 30 FGEDLO COc1cc2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)[nH]c(=O)c2cc1OC ZINC000611386377 507655217 /nfs/dbraw/zinc/65/52/17/507655217.db2.gz JADFMOWCNBFLKC-GFCCVEGCSA-N 1 2 364.405 3.075 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1C#N ZINC000586774320 507667490 /nfs/dbraw/zinc/66/74/90/507667490.db2.gz XYSQYKCWMZAGPH-UHFFFAOYSA-N 1 2 358.449 3.075 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1C#N ZINC000586774320 507667495 /nfs/dbraw/zinc/66/74/95/507667495.db2.gz XYSQYKCWMZAGPH-UHFFFAOYSA-N 1 2 358.449 3.075 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000595770983 507677456 /nfs/dbraw/zinc/67/74/56/507677456.db2.gz YHGFBUYFHAHJBU-IFMALSPDSA-N 1 2 364.445 3.445 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000595770983 507677464 /nfs/dbraw/zinc/67/74/64/507677464.db2.gz YHGFBUYFHAHJBU-IFMALSPDSA-N 1 2 364.445 3.445 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccsc4)no3)CCOCC2)c1 ZINC000595771615 507677476 /nfs/dbraw/zinc/67/74/76/507677476.db2.gz AABWVLICLSKVON-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000595817597 507698774 /nfs/dbraw/zinc/69/87/74/507698774.db2.gz OGDZJYSEWAGWQR-PBPGXSGUSA-N 1 2 372.488 3.302 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587036149 507705561 /nfs/dbraw/zinc/70/55/61/507705561.db2.gz KNYJTUTUWQQFDF-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000602492461 507725484 /nfs/dbraw/zinc/72/54/84/507725484.db2.gz LVHWHPIPZNSLNP-QGZVFWFLSA-N 1 2 354.454 3.473 20 30 FGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc2c(cc1Br)OCCO2 ZINC000602521466 507736517 /nfs/dbraw/zinc/73/65/17/507736517.db2.gz OAJTXEGPUQCYEM-LLVKDONJSA-N 1 2 374.238 3.338 20 30 FGEDLO Cc1cc(C)n(CC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)n1 ZINC000328651475 524500436 /nfs/dbraw/zinc/50/04/36/524500436.db2.gz VYDIODZVDZEJOK-GJZGRUSLSA-N 1 2 350.463 3.131 20 30 FGEDLO Cc1cc(C)n(CC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)n1 ZINC000328651475 524500446 /nfs/dbraw/zinc/50/04/46/524500446.db2.gz VYDIODZVDZEJOK-GJZGRUSLSA-N 1 2 350.463 3.131 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cc(-c3cccs3)on2)cc1OC ZINC000073350908 695968182 /nfs/dbraw/zinc/96/81/82/695968182.db2.gz LCXIGWITYAEFJF-UHFFFAOYSA-N 1 2 359.407 3.257 20 30 FGEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000091921079 700428372 /nfs/dbraw/zinc/42/83/72/700428372.db2.gz XLCVBAFHOYZJMJ-MJGOQNOKSA-N 1 2 357.475 3.085 20 30 FGEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000091921079 700428375 /nfs/dbraw/zinc/42/83/75/700428375.db2.gz XLCVBAFHOYZJMJ-MJGOQNOKSA-N 1 2 357.475 3.085 20 30 FGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F ZINC000097571174 700463188 /nfs/dbraw/zinc/46/31/88/700463188.db2.gz YPMWXCRUFOWXRM-SNVBAGLBSA-N 1 2 367.783 3.477 20 30 FGEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000106067429 700506778 /nfs/dbraw/zinc/50/67/78/700506778.db2.gz XAQZZNYTPJMVLB-UHFFFAOYSA-N 1 2 359.813 3.013 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000132014091 700822660 /nfs/dbraw/zinc/82/26/60/700822660.db2.gz KJBPPQOEPPGWTO-UHFFFAOYSA-N 1 2 358.785 3.236 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1-c1cnccn1 ZINC000158615898 705192624 /nfs/dbraw/zinc/19/26/24/705192624.db2.gz HHIORCGTRGITIX-MRXNPFEDSA-N 1 2 356.499 3.279 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCC2)nc1-c1cnccn1 ZINC000158615898 705192629 /nfs/dbraw/zinc/19/26/29/705192629.db2.gz HHIORCGTRGITIX-MRXNPFEDSA-N 1 2 356.499 3.279 20 30 FGEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000185889265 712704203 /nfs/dbraw/zinc/70/42/03/712704203.db2.gz XMAATVOQZZWSBK-FZMZJTMJSA-N 1 2 360.259 3.406 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000186205240 712712138 /nfs/dbraw/zinc/71/21/38/712712138.db2.gz OTMAAUCRSWBDPF-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000186205240 712712140 /nfs/dbraw/zinc/71/21/40/712712140.db2.gz OTMAAUCRSWBDPF-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186284227 712714386 /nfs/dbraw/zinc/71/43/86/712714386.db2.gz SIVSMNIZRZLDKE-ZDUSSCGKSA-N 1 2 373.316 3.128 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186284227 712714388 /nfs/dbraw/zinc/71/43/88/712714388.db2.gz SIVSMNIZRZLDKE-ZDUSSCGKSA-N 1 2 373.316 3.128 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330142391 713834293 /nfs/dbraw/zinc/83/42/93/713834293.db2.gz YGBBSQYKLNDUQP-CKAYJIMUSA-N 1 2 352.519 3.426 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330142391 713834297 /nfs/dbraw/zinc/83/42/97/713834297.db2.gz YGBBSQYKLNDUQP-CKAYJIMUSA-N 1 2 352.519 3.426 20 30 FGEDLO NC(=[NH+]OCc1ccc(Cl)cc1-n1cncn1)c1ccc(Cl)cc1 ZINC000794714770 723542577 /nfs/dbraw/zinc/54/25/77/723542577.db2.gz HBIDZGZCRSKTHK-UHFFFAOYSA-N 1 2 362.220 3.411 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)COC ZINC000661242002 720214030 /nfs/dbraw/zinc/21/40/30/720214030.db2.gz GLIUEVRUDQRBOB-ZDUSSCGKSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)COC ZINC000661242002 720214032 /nfs/dbraw/zinc/21/40/32/720214032.db2.gz GLIUEVRUDQRBOB-ZDUSSCGKSA-N 1 2 355.276 3.219 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000782968572 724712972 /nfs/dbraw/zinc/71/29/72/724712972.db2.gz ZGVQEVABIPIECJ-UHFFFAOYSA-N 1 2 356.900 3.154 20 30 FGEDLO C[C@H](NC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000726441395 722434237 /nfs/dbraw/zinc/43/42/37/722434237.db2.gz NJYWRQYOVZEDBN-HNNXBMFYSA-N 1 2 370.547 3.373 20 30 FGEDLO CN(C)c1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000729636059 722461170 /nfs/dbraw/zinc/46/11/70/722461170.db2.gz AQJDOGXMFRIPCC-UHFFFAOYSA-N 1 2 359.474 3.278 20 30 FGEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2ccc(OC)nc2)cc1 ZINC000729641819 722461242 /nfs/dbraw/zinc/46/12/42/722461242.db2.gz YROFURJOBAXFDF-UHFFFAOYSA-N 1 2 357.483 3.257 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000730280203 722466705 /nfs/dbraw/zinc/46/67/05/722466705.db2.gz LTWYORQBESAZQM-YOEHRIQHSA-N 1 2 353.491 3.393 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000730280203 722466706 /nfs/dbraw/zinc/46/67/06/722466706.db2.gz LTWYORQBESAZQM-YOEHRIQHSA-N 1 2 353.491 3.393 20 30 FGEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000731112940 722473427 /nfs/dbraw/zinc/47/34/27/722473427.db2.gz ZVPUGGIZBDXCCY-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000746487496 722604673 /nfs/dbraw/zinc/60/46/73/722604673.db2.gz KHZABCSOACMYKG-INIZCTEOSA-N 1 2 355.356 3.164 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000746487496 722604675 /nfs/dbraw/zinc/60/46/75/722604675.db2.gz KHZABCSOACMYKG-INIZCTEOSA-N 1 2 355.356 3.164 20 30 FGEDLO C=CCn1c2nn(C[N@@H+](CC)CCC)c(=S)n2c2ccccc2c1=O ZINC000750601064 722774454 /nfs/dbraw/zinc/77/44/54/722774454.db2.gz DNLDRSCFOZHPJG-UHFFFAOYSA-N 1 2 357.483 3.056 20 30 FGEDLO C=CCn1c2nn(C[N@H+](CC)CCC)c(=S)n2c2ccccc2c1=O ZINC000750601064 722774455 /nfs/dbraw/zinc/77/44/55/722774455.db2.gz DNLDRSCFOZHPJG-UHFFFAOYSA-N 1 2 357.483 3.056 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000761046552 723116080 /nfs/dbraw/zinc/11/60/80/723116080.db2.gz SVRANNOLOIRERF-GFCCVEGCSA-N 1 2 359.779 3.471 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000761046552 723116083 /nfs/dbraw/zinc/11/60/83/723116083.db2.gz SVRANNOLOIRERF-GFCCVEGCSA-N 1 2 359.779 3.471 20 30 FGEDLO C#CC[N@@H+](CCCCc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000792791356 723368024 /nfs/dbraw/zinc/36/80/24/723368024.db2.gz BXMZHGMLJADGPR-KRWDZBQOSA-N 1 2 373.440 3.150 20 30 FGEDLO C#CC[N@H+](CCCCc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000792791356 723368027 /nfs/dbraw/zinc/36/80/27/723368027.db2.gz BXMZHGMLJADGPR-KRWDZBQOSA-N 1 2 373.440 3.150 20 30 FGEDLO N#CCSCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792913086 723381341 /nfs/dbraw/zinc/38/13/41/723381341.db2.gz LHNRIMGSDOUUFA-UHFFFAOYSA-N 1 2 370.272 3.362 20 30 FGEDLO N#CCSCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792913086 723381344 /nfs/dbraw/zinc/38/13/44/723381344.db2.gz LHNRIMGSDOUUFA-UHFFFAOYSA-N 1 2 370.272 3.362 20 30 FGEDLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(F)C(F)(F)F ZINC000764455728 723414864 /nfs/dbraw/zinc/41/48/64/723414864.db2.gz FISFIXMBIFADMR-GFCCVEGCSA-N 1 2 374.300 3.496 20 30 FGEDLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000764455728 723414866 /nfs/dbraw/zinc/41/48/66/723414866.db2.gz FISFIXMBIFADMR-GFCCVEGCSA-N 1 2 374.300 3.496 20 30 FGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793516423 723445335 /nfs/dbraw/zinc/44/53/35/723445335.db2.gz NTMAJKFNYMSXPE-UHFFFAOYSA-N 1 2 359.832 3.481 20 30 FGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793516423 723445337 /nfs/dbraw/zinc/44/53/37/723445337.db2.gz NTMAJKFNYMSXPE-UHFFFAOYSA-N 1 2 359.832 3.481 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)s1 ZINC000794703701 723541916 /nfs/dbraw/zinc/54/19/16/723541916.db2.gz UWPOSPMJVXLMEA-CMDGGOBGSA-N 1 2 352.463 3.346 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)s1 ZINC000794707081 723542033 /nfs/dbraw/zinc/54/20/33/723542033.db2.gz JIRMVWHNGOYGBU-SREVYHEPSA-N 1 2 357.435 3.057 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000765826552 723542980 /nfs/dbraw/zinc/54/29/80/723542980.db2.gz ZAQMTVUMAODLFL-HUUCEWRRSA-N 1 2 351.397 3.473 20 30 FGEDLO CO[C@@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499453 723640436 /nfs/dbraw/zinc/64/04/36/723640436.db2.gz BLYNMKPTJQGNKC-KUHUBIRLSA-N 1 2 357.479 3.364 20 30 FGEDLO CO[C@@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499453 723640437 /nfs/dbraw/zinc/64/04/37/723640437.db2.gz BLYNMKPTJQGNKC-KUHUBIRLSA-N 1 2 357.479 3.364 20 30 FGEDLO S=C(NCCc1ccc(Cl)cc1)NN=Cc1cccc2[nH+]ccn21 ZINC000771097336 723727769 /nfs/dbraw/zinc/72/77/69/723727769.db2.gz IXLVUNHHALYJRA-UHFFFAOYSA-N 1 2 357.870 3.028 20 30 FGEDLO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000774661623 723916667 /nfs/dbraw/zinc/91/66/67/723916667.db2.gz WBTZFYKOSHCUID-UHFFFAOYSA-N 1 2 366.870 3.149 20 30 FGEDLO O[C@H](C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799297947 724003773 /nfs/dbraw/zinc/00/37/73/724003773.db2.gz SKCMOISMQNJJGZ-HOTUBEGUSA-N 1 2 360.273 3.317 20 30 FGEDLO C[C@@H](C[N@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787242915 725021805 /nfs/dbraw/zinc/02/18/05/725021805.db2.gz ACNIUGLWAZKLIN-LBPRGKRZSA-N 1 2 366.248 3.384 20 30 FGEDLO C[C@@H](C[N@@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787242915 725021807 /nfs/dbraw/zinc/02/18/07/725021807.db2.gz ACNIUGLWAZKLIN-LBPRGKRZSA-N 1 2 366.248 3.384 20 30 FGEDLO OC[C@@H](N[NH+]=Cc1sc(N2CCCC2)nc1Cl)c1ccccc1 ZINC000788459010 725065752 /nfs/dbraw/zinc/06/57/52/725065752.db2.gz ASFOKCHRKKGOKG-CYBMUJFWSA-N 1 2 350.875 3.054 20 30 FGEDLO COc1ccc(Br)c(CN[NH+]=Cc2cnc(N(C)C)s2)c1 ZINC000788731017 725084291 /nfs/dbraw/zinc/08/42/91/725084291.db2.gz DGBDJRBLIZYYBQ-UHFFFAOYSA-N 1 2 369.288 3.104 20 30 FGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1=S ZINC000811783713 725380044 /nfs/dbraw/zinc/38/00/44/725380044.db2.gz IIVYRWFEJZQIFG-KRWDZBQOSA-N 1 2 355.511 3.003 20 30 FGEDLO C=CCn1c(C)nn(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1=S ZINC000811783713 725380045 /nfs/dbraw/zinc/38/00/45/725380045.db2.gz IIVYRWFEJZQIFG-KRWDZBQOSA-N 1 2 355.511 3.003 20 30 FGEDLO C[C@H]1C(=NNS(=O)(=O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000814693641 726993105 /nfs/dbraw/zinc/99/31/05/726993105.db2.gz AXXCIJJHTFSKIC-INIZCTEOSA-N 1 2 357.479 3.005 20 30 FGEDLO C[C@H]1C(=NNS(=O)(=O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814693641 726993106 /nfs/dbraw/zinc/99/31/06/726993106.db2.gz AXXCIJJHTFSKIC-INIZCTEOSA-N 1 2 357.479 3.005 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C#Cc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827709218 729433586 /nfs/dbraw/zinc/43/35/86/729433586.db2.gz UYVNPNUGCMDYSR-AEFFLSMTSA-N 1 2 362.857 3.454 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C#Cc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827709218 729433587 /nfs/dbraw/zinc/43/35/87/729433587.db2.gz UYVNPNUGCMDYSR-AEFFLSMTSA-N 1 2 362.857 3.454 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844366827 730708203 /nfs/dbraw/zinc/70/82/03/730708203.db2.gz OWUVETFOQTTWSL-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844366827 730708209 /nfs/dbraw/zinc/70/82/09/730708209.db2.gz OWUVETFOQTTWSL-SFHVURJKSA-N 1 2 357.841 3.124 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853490559 731712330 /nfs/dbraw/zinc/71/23/30/731712330.db2.gz DLGMVZLUMMAJIH-UHFFFAOYSA-N 1 2 355.873 3.455 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853490559 731712332 /nfs/dbraw/zinc/71/23/32/731712332.db2.gz DLGMVZLUMMAJIH-UHFFFAOYSA-N 1 2 355.873 3.455 20 30 FGEDLO CCc1cc(CCCO[NH+]=C(N)c2ccc(Br)cc2)on1 ZINC000853685624 731741914 /nfs/dbraw/zinc/74/19/14/731741914.db2.gz YNACPIGHDYPRFP-UHFFFAOYSA-N 1 2 352.232 3.269 20 30 FGEDLO C#CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000862444882 732837387 /nfs/dbraw/zinc/83/73/87/732837387.db2.gz HYDFCNHDPJEMJO-JTQLQIEISA-N 1 2 358.077 3.452 20 30 FGEDLO C#CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000862444882 732837392 /nfs/dbraw/zinc/83/73/92/732837392.db2.gz HYDFCNHDPJEMJO-JTQLQIEISA-N 1 2 358.077 3.452 20 30 FGEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877484776 736227014 /nfs/dbraw/zinc/22/70/14/736227014.db2.gz NJNMTPJKXKKNMM-UHFFFAOYSA-N 1 2 374.897 3.428 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3nc(Cl)ccc3s2)n1 ZINC000877484776 736227019 /nfs/dbraw/zinc/22/70/19/736227019.db2.gz NJNMTPJKXKKNMM-UHFFFAOYSA-N 1 2 374.897 3.428 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318901 737154853 /nfs/dbraw/zinc/15/48/53/737154853.db2.gz PARADNJYUQOBGS-ZDUSSCGKSA-N 1 2 358.492 3.187 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880318901 737154859 /nfs/dbraw/zinc/15/48/59/737154859.db2.gz PARADNJYUQOBGS-ZDUSSCGKSA-N 1 2 358.492 3.187 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000880480575 737179556 /nfs/dbraw/zinc/17/95/56/737179556.db2.gz XVSMQXFPVQXAEY-GFCCVEGCSA-N 1 2 355.265 3.171 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(C#N)c1C ZINC000886612502 739274939 /nfs/dbraw/zinc/27/49/39/739274939.db2.gz MOZIBKOPUKHGTR-LRDDRELGSA-N 1 2 355.360 3.371 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(C#N)c1C ZINC000886612502 739274942 /nfs/dbraw/zinc/27/49/42/739274942.db2.gz MOZIBKOPUKHGTR-LRDDRELGSA-N 1 2 355.360 3.371 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013088 742364557 /nfs/dbraw/zinc/36/45/57/742364557.db2.gz XTOOAOIAXINTHL-CQSZACIVSA-N 1 2 362.861 3.329 20 30 FGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895013088 742364563 /nfs/dbraw/zinc/36/45/63/742364563.db2.gz XTOOAOIAXINTHL-CQSZACIVSA-N 1 2 362.861 3.329 20 30 FGEDLO N#Cc1ncc(Br)cc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895350343 742401176 /nfs/dbraw/zinc/40/11/76/742401176.db2.gz AUSFMASXCBETTD-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000895836971 742460203 /nfs/dbraw/zinc/46/02/03/742460203.db2.gz HMJJNJSKHSGKTO-LBPRGKRZSA-N 1 2 361.257 3.471 20 30 FGEDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000895836971 742460206 /nfs/dbraw/zinc/46/02/06/742460206.db2.gz HMJJNJSKHSGKTO-LBPRGKRZSA-N 1 2 361.257 3.471 20 30 FGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000901476905 743287570 /nfs/dbraw/zinc/28/75/70/743287570.db2.gz LZCZVGQWSGRBAU-YVMONPNESA-N 1 2 354.378 3.356 20 30 FGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)[nH+]c1C ZINC000901477583 743287599 /nfs/dbraw/zinc/28/75/99/743287599.db2.gz ORBOOASZCRSTRT-BQYQJAHWSA-N 1 2 372.368 3.259 20 30 FGEDLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C#N)ccn1 ZINC000902978926 743795543 /nfs/dbraw/zinc/79/55/43/743795543.db2.gz LVYJDBFWMDCBLC-XHDPSFHLSA-N 1 2 351.328 3.236 20 30 FGEDLO C#C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(Cl)cc1 ZINC000923221161 759084990 /nfs/dbraw/zinc/08/49/90/759084990.db2.gz XTTLAUVMEFLVQL-HNNXBMFYSA-N 1 2 362.886 3.032 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924765143 759383933 /nfs/dbraw/zinc/38/39/33/759383933.db2.gz LBWKFANTIVFMEO-UHFFFAOYSA-N 1 2 362.474 3.242 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000932202570 761084356 /nfs/dbraw/zinc/08/43/56/761084356.db2.gz BAMCUEBZPFDEHF-AWEZNQCLSA-N 1 2 358.467 3.118 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000932202570 761084369 /nfs/dbraw/zinc/08/43/69/761084369.db2.gz BAMCUEBZPFDEHF-AWEZNQCLSA-N 1 2 358.467 3.118 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3cccc(F)c3Br)CC2)C1 ZINC000933644978 761445129 /nfs/dbraw/zinc/44/51/29/761445129.db2.gz YIJACQCFHFCATR-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C(C)(C)C1 ZINC000977283872 763352239 /nfs/dbraw/zinc/35/22/39/763352239.db2.gz IGWVXYIYRUCFNQ-LZLYRXPVSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C(C)(C)C1 ZINC000977283872 763352247 /nfs/dbraw/zinc/35/22/47/763352247.db2.gz IGWVXYIYRUCFNQ-LZLYRXPVSA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001000939870 765246807 /nfs/dbraw/zinc/24/68/07/765246807.db2.gz WDDWYDXMWQFYLB-HUUCEWRRSA-N 1 2 355.320 3.326 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001000939870 765246812 /nfs/dbraw/zinc/24/68/12/765246812.db2.gz WDDWYDXMWQFYLB-HUUCEWRRSA-N 1 2 355.320 3.326 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001015727283 765800673 /nfs/dbraw/zinc/80/06/73/765800673.db2.gz ZMGSXHPUKPFCJG-BBWFWOEESA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001015727283 765800680 /nfs/dbraw/zinc/80/06/80/765800680.db2.gz ZMGSXHPUKPFCJG-BBWFWOEESA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033837581 766223575 /nfs/dbraw/zinc/22/35/75/766223575.db2.gz IKCANRMCOAUXSN-YYIAUSFCSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033837581 766223579 /nfs/dbraw/zinc/22/35/79/766223579.db2.gz IKCANRMCOAUXSN-YYIAUSFCSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001038795782 766287742 /nfs/dbraw/zinc/28/77/42/766287742.db2.gz BQOZYKNWIOMKHU-LNLFQRSKSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1Cl ZINC001038795782 766287745 /nfs/dbraw/zinc/28/77/45/766287745.db2.gz BQOZYKNWIOMKHU-LNLFQRSKSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001046601315 766595015 /nfs/dbraw/zinc/59/50/15/766595015.db2.gz BFNVWWFDDOFERE-VFVRVIDISA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001046601315 766595022 /nfs/dbraw/zinc/59/50/22/766595022.db2.gz BFNVWWFDDOFERE-VFVRVIDISA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031273 766888797 /nfs/dbraw/zinc/88/87/97/766888797.db2.gz IUBKFHZAUWIOKI-RCCFBDPRSA-N 1 2 367.965 3.030 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(C#N)c2)n1C ZINC000328636963 210120219 /nfs/dbraw/zinc/12/02/19/210120219.db2.gz OJWWJKJMSKCRMD-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(F)c(C#N)c2)n1C ZINC000328636963 210120225 /nfs/dbraw/zinc/12/02/25/210120225.db2.gz OJWWJKJMSKCRMD-GOSISDBHSA-N 1 2 354.429 3.123 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000567995287 505592834 /nfs/dbraw/zinc/59/28/34/505592834.db2.gz HAZYVDYFUKHZAS-FQEVSTJZSA-N 1 2 364.474 3.283 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000567998422 505593754 /nfs/dbraw/zinc/59/37/54/505593754.db2.gz NKNPJVQZNAERIY-MRXNPFEDSA-N 1 2 352.438 3.287 20 30 FGEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000576826554 505604185 /nfs/dbraw/zinc/60/41/85/505604185.db2.gz LQRILYSTYMMYFW-UHFFFAOYSA-N 1 2 353.378 3.042 20 30 FGEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC000576826554 505604186 /nfs/dbraw/zinc/60/41/86/505604186.db2.gz LQRILYSTYMMYFW-UHFFFAOYSA-N 1 2 353.378 3.042 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593105566 506396222 /nfs/dbraw/zinc/39/62/22/506396222.db2.gz SDCKFVMYGMFLBQ-MRXNPFEDSA-N 1 2 363.889 3.420 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593105566 506396226 /nfs/dbraw/zinc/39/62/26/506396226.db2.gz SDCKFVMYGMFLBQ-MRXNPFEDSA-N 1 2 363.889 3.420 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000592526376 507697025 /nfs/dbraw/zinc/69/70/25/507697025.db2.gz YHJXIRPKRXCMLE-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000592526376 507697032 /nfs/dbraw/zinc/69/70/32/507697032.db2.gz YHJXIRPKRXCMLE-CYBMUJFWSA-N 1 2 363.177 3.318 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)c1 ZINC000028980580 493811109 /nfs/dbraw/zinc/81/11/09/493811109.db2.gz ALOFFZVOTFAZNA-UHFFFAOYSA-N 1 2 371.481 3.011 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)c1 ZINC000028980580 493811114 /nfs/dbraw/zinc/81/11/14/493811114.db2.gz ALOFFZVOTFAZNA-UHFFFAOYSA-N 1 2 371.481 3.011 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000029226401 493827120 /nfs/dbraw/zinc/82/71/20/493827120.db2.gz BAQCIQPAWVTKSR-UHFFFAOYSA-N 1 2 372.469 3.477 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000048874340 493850532 /nfs/dbraw/zinc/85/05/32/493850532.db2.gz VADRAHZYMZGJSI-UHFFFAOYSA-N 1 2 363.465 3.333 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000003585857 493854069 /nfs/dbraw/zinc/85/40/69/493854069.db2.gz LXACKCGUNZCBDF-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c(OC)c1 ZINC000003585857 493854072 /nfs/dbraw/zinc/85/40/72/493854072.db2.gz LXACKCGUNZCBDF-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO Cc1nc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc2ccccc12 ZINC000029860309 493862573 /nfs/dbraw/zinc/86/25/73/493862573.db2.gz DVAJWVPNPYTUER-UHFFFAOYSA-N 1 2 361.424 3.271 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000051092043 493949168 /nfs/dbraw/zinc/94/91/68/493949168.db2.gz RDONFLNCAXQKRH-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO COc1ccccc1CN(C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000051372918 493964658 /nfs/dbraw/zinc/96/46/58/493964658.db2.gz CTUVRBIHNUKMOP-UHFFFAOYSA-N 1 2 374.510 3.468 20 30 FGEDLO Cc1nc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)ccc1C#N ZINC000031890874 493964682 /nfs/dbraw/zinc/96/46/82/493964682.db2.gz QHAUTPITEIAYTI-QGZVFWFLSA-N 1 2 365.824 3.168 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000083206984 494007630 /nfs/dbraw/zinc/00/76/30/494007630.db2.gz BVJGZFUECCSAEC-XLIONFOSSA-N 1 2 350.418 3.270 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000083206984 494007632 /nfs/dbraw/zinc/00/76/32/494007632.db2.gz BVJGZFUECCSAEC-XLIONFOSSA-N 1 2 350.418 3.270 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000083216517 494008973 /nfs/dbraw/zinc/00/89/73/494008973.db2.gz JGYQIAZFAFVOHE-IBGZPJMESA-N 1 2 367.474 3.424 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2ccccc21)Cc1cccc([N+](=O)[O-])c1 ZINC000063297751 494041342 /nfs/dbraw/zinc/04/13/42/494041342.db2.gz FNELGAMXODOHLE-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1cccc([N+](=O)[O-])c1 ZINC000063297751 494041346 /nfs/dbraw/zinc/04/13/46/494041346.db2.gz FNELGAMXODOHLE-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1cccc(C#N)c1 ZINC000063300405 494041872 /nfs/dbraw/zinc/04/18/72/494041872.db2.gz LOGVGZRMAUUPOS-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)Cc1cccc(C#N)c1 ZINC000063300405 494041876 /nfs/dbraw/zinc/04/18/76/494041876.db2.gz LOGVGZRMAUUPOS-UHFFFAOYSA-N 1 2 365.433 3.202 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063300588 494041903 /nfs/dbraw/zinc/04/19/03/494041903.db2.gz KYGBHMRSPFKSTJ-QGZVFWFLSA-N 1 2 363.461 3.432 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063300588 494041908 /nfs/dbraw/zinc/04/19/08/494041908.db2.gz KYGBHMRSPFKSTJ-QGZVFWFLSA-N 1 2 363.461 3.432 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(F)c1 ZINC000053897097 494174617 /nfs/dbraw/zinc/17/46/17/494174617.db2.gz AYQDMYRRRHOJFJ-UHFFFAOYSA-N 1 2 350.397 3.177 20 30 FGEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000078299923 494273569 /nfs/dbraw/zinc/27/35/69/494273569.db2.gz BMJYSLBUAOMEDT-UWJYYQICSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000078299923 494273572 /nfs/dbraw/zinc/27/35/72/494273572.db2.gz BMJYSLBUAOMEDT-UWJYYQICSA-N 1 2 372.513 3.089 20 30 FGEDLO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000055172527 494309687 /nfs/dbraw/zinc/30/96/87/494309687.db2.gz YARWLXAKIDQPSM-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000055172527 494309689 /nfs/dbraw/zinc/30/96/89/494309689.db2.gz YARWLXAKIDQPSM-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000073601639 494398025 /nfs/dbraw/zinc/39/80/25/494398025.db2.gz JNVLSNFTPHPOJO-GOSISDBHSA-N 1 2 359.514 3.020 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045491749 494433880 /nfs/dbraw/zinc/43/38/80/494433880.db2.gz GDAMKZXNOPFKOR-UHFFFAOYSA-N 1 2 353.813 3.201 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000045596506 494442987 /nfs/dbraw/zinc/44/29/87/494442987.db2.gz FVMZVUXRDDPERT-OAQYLSRUSA-N 1 2 360.461 3.073 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccs1 ZINC000022063449 494513338 /nfs/dbraw/zinc/51/33/38/494513338.db2.gz UOQONBZBEIPDPY-UHFFFAOYSA-N 1 2 369.490 3.267 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccs1 ZINC000022063449 494513342 /nfs/dbraw/zinc/51/33/42/494513342.db2.gz UOQONBZBEIPDPY-UHFFFAOYSA-N 1 2 369.490 3.267 20 30 FGEDLO COCCCOC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091070342 494523021 /nfs/dbraw/zinc/52/30/21/494523021.db2.gz GAOXMAQLWNRBCO-UHFFFAOYSA-N 1 2 368.481 3.070 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000046834556 494571912 /nfs/dbraw/zinc/57/19/12/494571912.db2.gz BIBJYBFJYLPCTO-KRWDZBQOSA-N 1 2 371.799 3.115 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000046834556 494571916 /nfs/dbraw/zinc/57/19/16/494571916.db2.gz BIBJYBFJYLPCTO-KRWDZBQOSA-N 1 2 371.799 3.115 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125966055 494590114 /nfs/dbraw/zinc/59/01/14/494590114.db2.gz GMZCCOGXQCBWAS-JOCHJYFZSA-N 1 2 374.488 3.453 20 30 FGEDLO CC(C)[N@@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574261513 505732855 /nfs/dbraw/zinc/73/28/55/505732855.db2.gz HPFSDVXDNXKCDZ-HKUYNNGSSA-N 1 2 373.863 3.454 20 30 FGEDLO CC(C)[N@H+]1CC[C@H](NCc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574261513 505732857 /nfs/dbraw/zinc/73/28/57/505732857.db2.gz HPFSDVXDNXKCDZ-HKUYNNGSSA-N 1 2 373.863 3.454 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000074990657 494669638 /nfs/dbraw/zinc/66/96/38/494669638.db2.gz OAUHOHMZCQCHSQ-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000074990657 494669647 /nfs/dbraw/zinc/66/96/47/494669647.db2.gz OAUHOHMZCQCHSQ-OAHLLOKOSA-N 1 2 358.442 3.186 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(OCC#N)cc2)c[nH+]1 ZINC000108613851 494751429 /nfs/dbraw/zinc/75/14/29/494751429.db2.gz ROEJQZXICBJCLL-XYOKQWHBSA-N 1 2 364.449 3.160 20 30 FGEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000047778169 494775064 /nfs/dbraw/zinc/77/50/64/494775064.db2.gz GTPHVAZKSIEXOB-UHFFFAOYSA-N 1 2 371.531 3.197 20 30 FGEDLO N#Cc1ccc2nc(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000092885997 494780847 /nfs/dbraw/zinc/78/08/47/494780847.db2.gz IHOLGDDUVDSPON-HXUWFJFHSA-N 1 2 358.445 3.419 20 30 FGEDLO N#Cc1ccc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000092885997 494780854 /nfs/dbraw/zinc/78/08/54/494780854.db2.gz IHOLGDDUVDSPON-HXUWFJFHSA-N 1 2 358.445 3.419 20 30 FGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000075637044 494807552 /nfs/dbraw/zinc/80/75/52/494807552.db2.gz VWYGIOBVFZAOQW-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO CC(C)c1nnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1 ZINC000132105810 494820657 /nfs/dbraw/zinc/82/06/57/494820657.db2.gz XIIRHUNPMNIKAP-UHFFFAOYSA-N 1 2 367.409 3.004 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1ccccc1 ZINC000027775808 494885017 /nfs/dbraw/zinc/88/50/17/494885017.db2.gz GMSWVVNLQIYZJU-UHFFFAOYSA-N 1 2 352.434 3.408 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1ccccc1 ZINC000027775808 494885019 /nfs/dbraw/zinc/88/50/19/494885019.db2.gz GMSWVVNLQIYZJU-UHFFFAOYSA-N 1 2 352.434 3.408 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCCC1 ZINC000117353366 494913097 /nfs/dbraw/zinc/91/30/97/494913097.db2.gz MATJLQSTGWZNJK-UHFFFAOYSA-N 1 2 371.325 3.146 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCCC1 ZINC000117353366 494913098 /nfs/dbraw/zinc/91/30/98/494913098.db2.gz MATJLQSTGWZNJK-UHFFFAOYSA-N 1 2 371.325 3.146 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc(OC)c1O ZINC000093882911 494931026 /nfs/dbraw/zinc/93/10/26/494931026.db2.gz CAYNDEGDDYVLFU-CYBMUJFWSA-N 1 2 358.404 3.198 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)on1 ZINC000127608978 494970020 /nfs/dbraw/zinc/97/00/20/494970020.db2.gz CMUFQOWFKWVAOU-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000122465159 494979993 /nfs/dbraw/zinc/97/99/93/494979993.db2.gz YJSWSBPXAJUADJ-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000122465159 494979997 /nfs/dbraw/zinc/97/99/97/494979997.db2.gz YJSWSBPXAJUADJ-IAGOWNOFSA-N 1 2 369.868 3.116 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000118397183 494999468 /nfs/dbraw/zinc/99/94/68/494999468.db2.gz WITHUJVHLHWFMI-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000110675338 495000173 /nfs/dbraw/zinc/00/01/73/495000173.db2.gz JEIHWBFLYNXGNY-UHFFFAOYSA-N 1 2 352.438 3.168 20 30 FGEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1Br ZINC000574381861 505760483 /nfs/dbraw/zinc/76/04/83/505760483.db2.gz IVTCCVXMPJYJNU-MRXNPFEDSA-N 1 2 361.239 3.153 20 30 FGEDLO Cc1cccc(COc2cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000571568964 505763052 /nfs/dbraw/zinc/76/30/52/505763052.db2.gz WUOOHYJCWFVUNS-QFIPXVFZSA-N 1 2 365.477 3.077 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119287980 495134413 /nfs/dbraw/zinc/13/44/13/495134413.db2.gz DANQVSFBGVKPSL-KRWDZBQOSA-N 1 2 352.438 3.437 20 30 FGEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000102886766 495168663 /nfs/dbraw/zinc/16/86/63/495168663.db2.gz OLWQWAXDUGRAQZ-UHFFFAOYSA-N 1 2 370.478 3.061 20 30 FGEDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)s1 ZINC000103142005 495198486 /nfs/dbraw/zinc/19/84/86/495198486.db2.gz ONAMJQLGJPZKCE-UHFFFAOYSA-N 1 2 357.454 3.462 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000119644000 495208283 /nfs/dbraw/zinc/20/82/83/495208283.db2.gz IOQZIKHEXOFIFJ-UHFFFAOYSA-N 1 2 352.394 3.284 20 30 FGEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1cccc(C#N)c1 ZINC000119660274 495212171 /nfs/dbraw/zinc/21/21/71/495212171.db2.gz BRYOIOPVGTYMHH-UHFFFAOYSA-N 1 2 365.433 3.161 20 30 FGEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)Cc1cccc(C#N)c1 ZINC000119660274 495212178 /nfs/dbraw/zinc/21/21/78/495212178.db2.gz BRYOIOPVGTYMHH-UHFFFAOYSA-N 1 2 365.433 3.161 20 30 FGEDLO Cc1occc1C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135033647 495241866 /nfs/dbraw/zinc/24/18/66/495241866.db2.gz PVPOPHBJPPOSFV-UHFFFAOYSA-N 1 2 356.853 3.487 20 30 FGEDLO C[C@H](CC#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135124199 495253616 /nfs/dbraw/zinc/25/36/16/495253616.db2.gz DKZWFGPEEXYGBY-IUODEOHRSA-N 1 2 350.260 3.004 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000119965965 495278354 /nfs/dbraw/zinc/27/83/54/495278354.db2.gz CHDDPZXFDCZMPV-INIZCTEOSA-N 1 2 367.478 3.194 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677634 495296479 /nfs/dbraw/zinc/29/64/79/495296479.db2.gz SCLAOPMJRSINRC-CYBMUJFWSA-N 1 2 357.376 3.215 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677634 495296484 /nfs/dbraw/zinc/29/64/84/495296484.db2.gz SCLAOPMJRSINRC-CYBMUJFWSA-N 1 2 357.376 3.215 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000130049337 495333040 /nfs/dbraw/zinc/33/30/40/495333040.db2.gz KVUACDSHBNPHLN-UHFFFAOYSA-N 1 2 364.405 3.137 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1cccs1 ZINC000120416768 495373116 /nfs/dbraw/zinc/37/31/16/495373116.db2.gz QWPFQCFQTPYRRG-IBGZPJMESA-N 1 2 374.481 3.475 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1cccs1 ZINC000120416768 495373120 /nfs/dbraw/zinc/37/31/20/495373120.db2.gz QWPFQCFQTPYRRG-IBGZPJMESA-N 1 2 374.481 3.475 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000136822172 495403229 /nfs/dbraw/zinc/40/32/29/495403229.db2.gz KNBQNIKCTYUHKT-OAQYLSRUSA-N 1 2 371.444 3.374 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130576246 495413807 /nfs/dbraw/zinc/41/38/07/495413807.db2.gz SLCJCLZJHSLOHB-OAHLLOKOSA-N 1 2 357.483 3.352 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130576246 495413809 /nfs/dbraw/zinc/41/38/09/495413809.db2.gz SLCJCLZJHSLOHB-OAHLLOKOSA-N 1 2 357.483 3.352 20 30 FGEDLO CCOc1ccc(NC(=O)CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000137673047 495448328 /nfs/dbraw/zinc/44/83/28/495448328.db2.gz MMMQLOBTTCXFEP-UHFFFAOYSA-N 1 2 352.438 3.225 20 30 FGEDLO CCOc1ccc(NC(=O)CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000137673047 495448331 /nfs/dbraw/zinc/44/83/31/495448331.db2.gz MMMQLOBTTCXFEP-UHFFFAOYSA-N 1 2 352.438 3.225 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1cccs1 ZINC000138164522 495456109 /nfs/dbraw/zinc/45/61/09/495456109.db2.gz FKRFUJWMNWSWEG-IBGZPJMESA-N 1 2 356.491 3.053 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)Cc1cccs1 ZINC000138164522 495456115 /nfs/dbraw/zinc/45/61/15/495456115.db2.gz FKRFUJWMNWSWEG-IBGZPJMESA-N 1 2 356.491 3.053 20 30 FGEDLO CCOc1ccccc1-c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000577757396 505786912 /nfs/dbraw/zinc/78/69/12/505786912.db2.gz WORASKFMYSTXKF-OAQYLSRUSA-N 1 2 351.450 3.326 20 30 FGEDLO N#Cc1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107181590 495523284 /nfs/dbraw/zinc/52/32/84/495523284.db2.gz ATGYCRCVOGMKEK-UHFFFAOYSA-N 1 2 364.449 3.029 20 30 FGEDLO N#CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000185505830 495602273 /nfs/dbraw/zinc/60/22/73/495602273.db2.gz RYZWGDGKQREFKY-HXUWFJFHSA-N 1 2 353.853 3.487 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1Cl ZINC000185517876 495607888 /nfs/dbraw/zinc/60/78/88/495607888.db2.gz IWVMZDNJSWUMCK-UHFFFAOYSA-N 1 2 369.852 3.134 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159083987 495653815 /nfs/dbraw/zinc/65/38/15/495653815.db2.gz AGHJWPVAWVGCJH-UHFFFAOYSA-N 1 2 368.444 3.076 20 30 FGEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000150928870 495685127 /nfs/dbraw/zinc/68/51/27/495685127.db2.gz MTQGNBYGVNCCPH-UHFFFAOYSA-N 1 2 373.416 3.491 20 30 FGEDLO N#CCCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176566342 495701106 /nfs/dbraw/zinc/70/11/06/495701106.db2.gz VNBMWVNBPSELFJ-INIZCTEOSA-N 1 2 364.287 3.396 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)C3CCCCC3)cn2c1 ZINC000176601285 495715580 /nfs/dbraw/zinc/71/55/80/495715580.db2.gz ZQSFYWXEOFKNMK-QGZVFWFLSA-N 1 2 356.495 3.465 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000171093425 495722290 /nfs/dbraw/zinc/72/22/90/495722290.db2.gz ZXVPRQJDYILESH-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000171093425 495722296 /nfs/dbraw/zinc/72/22/96/495722296.db2.gz ZXVPRQJDYILESH-SFHVURJKSA-N 1 2 363.417 3.105 20 30 FGEDLO Cc1ccc(-c2ncc(CN(CCC#N)CC[NH+]3CCOCC3)s2)cc1 ZINC000154795519 495731772 /nfs/dbraw/zinc/73/17/72/495731772.db2.gz RBZPBAGRKJVNNL-UHFFFAOYSA-N 1 2 370.522 3.166 20 30 FGEDLO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185945894 495792743 /nfs/dbraw/zinc/79/27/43/495792743.db2.gz IYIQRFRTEAJHDW-YGRLFVJLSA-N 1 2 360.405 3.011 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000171619147 495951443 /nfs/dbraw/zinc/95/14/43/495951443.db2.gz GZYSPMZENRZMRL-UHFFFAOYSA-N 1 2 358.445 3.473 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000171619147 495951446 /nfs/dbraw/zinc/95/14/46/495951446.db2.gz GZYSPMZENRZMRL-UHFFFAOYSA-N 1 2 358.445 3.473 20 30 FGEDLO C=CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2cccnc2)c(OC)c1 ZINC000151948286 496000901 /nfs/dbraw/zinc/00/09/01/496000901.db2.gz ONULLEXPMZQOJP-SFHVURJKSA-N 1 2 365.433 3.122 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177285617 496006707 /nfs/dbraw/zinc/00/67/07/496006707.db2.gz AWRRNAIYWAMNTI-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177285617 496006708 /nfs/dbraw/zinc/00/67/08/496006708.db2.gz AWRRNAIYWAMNTI-UHFFFAOYSA-N 1 2 365.452 3.364 20 30 FGEDLO Cc1c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174571893 496015560 /nfs/dbraw/zinc/01/55/60/496015560.db2.gz HMHMJAMNLXOMKW-HXUWFJFHSA-N 1 2 350.422 3.286 20 30 FGEDLO Cc1oc2ccc(NC(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1C ZINC000186483476 496015677 /nfs/dbraw/zinc/01/56/77/496015677.db2.gz VBFOYZSUXKRIHS-UHFFFAOYSA-N 1 2 370.453 3.129 20 30 FGEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)ccc1OC ZINC000152045671 496031952 /nfs/dbraw/zinc/03/19/52/496031952.db2.gz BBCSZTXRIVNYKZ-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(C#N)ccc1OC ZINC000152045671 496031955 /nfs/dbraw/zinc/03/19/55/496031955.db2.gz BBCSZTXRIVNYKZ-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000177504388 496088898 /nfs/dbraw/zinc/08/88/98/496088898.db2.gz FMSCROVLGHWRHF-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO CC[C@H](CC#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000183858648 496139262 /nfs/dbraw/zinc/13/92/62/496139262.db2.gz VHLLSMPVENYOJE-CVEARBPZSA-N 1 2 364.287 3.394 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000156049611 496143136 /nfs/dbraw/zinc/14/31/36/496143136.db2.gz WEDQAFTWUFJHOD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000156049611 496143140 /nfs/dbraw/zinc/14/31/40/496143140.db2.gz WEDQAFTWUFJHOD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000156079740 496152203 /nfs/dbraw/zinc/15/22/03/496152203.db2.gz HRJQUKPXMNMXDW-HNNXBMFYSA-N 1 2 354.454 3.370 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000156550105 496276514 /nfs/dbraw/zinc/27/65/14/496276514.db2.gz XCTSTXLFMFPIKR-ROUUACIJSA-N 1 2 365.905 3.319 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156550105 496276518 /nfs/dbraw/zinc/27/65/18/496276518.db2.gz XCTSTXLFMFPIKR-ROUUACIJSA-N 1 2 365.905 3.319 20 30 FGEDLO N#CCC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000153256149 496398455 /nfs/dbraw/zinc/39/84/55/496398455.db2.gz PRYYNHKFVVZGFC-OAQYLSRUSA-N 1 2 363.461 3.294 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175477207 496407944 /nfs/dbraw/zinc/40/79/44/496407944.db2.gz MGKKGRXNWUDLQL-UHFFFAOYSA-N 1 2 351.454 3.309 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)nc1 ZINC000172759970 496419057 /nfs/dbraw/zinc/41/90/57/496419057.db2.gz CPDRRCSNEQSESW-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000184530550 496425574 /nfs/dbraw/zinc/42/55/74/496425574.db2.gz LGXVNPAMRGLANY-WMLDXEAASA-N 1 2 359.401 3.031 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000157289305 496447904 /nfs/dbraw/zinc/44/79/04/496447904.db2.gz ULBMTSCEZYTGDD-LJQANCHMSA-N 1 2 363.889 3.238 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000184807889 496539576 /nfs/dbraw/zinc/53/95/76/496539576.db2.gz DSVJDTHEQFDCJA-BLLLJJGKSA-N 1 2 359.426 3.228 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000157755957 496547266 /nfs/dbraw/zinc/54/72/66/496547266.db2.gz ULIDQXTZYVFSPD-UHFFFAOYSA-N 1 2 365.437 3.095 20 30 FGEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000184960731 496601098 /nfs/dbraw/zinc/60/10/98/496601098.db2.gz DDBUWBMWATYLKI-AWEZNQCLSA-N 1 2 370.478 3.114 20 30 FGEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000184960731 496601102 /nfs/dbraw/zinc/60/11/02/496601102.db2.gz DDBUWBMWATYLKI-AWEZNQCLSA-N 1 2 370.478 3.114 20 30 FGEDLO C=CCOc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000165165241 496651049 /nfs/dbraw/zinc/65/10/49/496651049.db2.gz IZURJOQPFSFHDS-INIZCTEOSA-N 1 2 354.454 3.472 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000165721668 496666663 /nfs/dbraw/zinc/66/66/63/496666663.db2.gz URJYQLHVKGUXJD-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO N#Cc1cccnc1-n1cc(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cn1 ZINC000188465713 496798743 /nfs/dbraw/zinc/79/87/43/496798743.db2.gz OCESCSAZROFKCT-KRWDZBQOSA-N 1 2 359.368 3.203 20 30 FGEDLO CC(=O)Nc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000264139663 496821089 /nfs/dbraw/zinc/82/10/89/496821089.db2.gz PWNHGXDQQBOWJY-UHFFFAOYSA-N 1 2 356.451 3.017 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)c(C#N)c1C ZINC000191665113 496849034 /nfs/dbraw/zinc/84/90/34/496849034.db2.gz YUZAVXGYBQLVOK-CQSZACIVSA-N 1 2 352.438 3.370 20 30 FGEDLO CC(C)(C)CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264346637 496877962 /nfs/dbraw/zinc/87/79/62/496877962.db2.gz YZRAKGGYECPQOD-UHFFFAOYSA-N 1 2 355.398 3.182 20 30 FGEDLO CCOC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191773610 496884961 /nfs/dbraw/zinc/88/49/61/496884961.db2.gz WPNILHBTMYANQO-UHFFFAOYSA-N 1 2 351.244 3.096 20 30 FGEDLO Brc1ccc(N2CC[NH+](CC#Cc3ccccc3)CC2)nc1 ZINC000191903540 496927071 /nfs/dbraw/zinc/92/70/71/496927071.db2.gz FRKOLQSQIZUIDO-UHFFFAOYSA-N 1 2 356.267 3.018 20 30 FGEDLO Cc1ccc2oc(N3CC[NH+](Cc4ccc(C#N)c(F)c4)CC3)nc2c1 ZINC000191999742 496959273 /nfs/dbraw/zinc/95/92/73/496959273.db2.gz HQCWJVLLELEQNN-UHFFFAOYSA-N 1 2 350.397 3.469 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189112980 497011635 /nfs/dbraw/zinc/01/16/35/497011635.db2.gz DXQZXXGTBALJKV-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269916667 497023694 /nfs/dbraw/zinc/02/36/94/497023694.db2.gz LGVUTMKLHHRHGK-OAHLLOKOSA-N 1 2 366.465 3.001 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1=O ZINC000248476841 497023770 /nfs/dbraw/zinc/02/37/70/497023770.db2.gz YJASHPNXNIKAEW-SJORKVTESA-N 1 2 371.437 3.017 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1=O ZINC000248476841 497023776 /nfs/dbraw/zinc/02/37/76/497023776.db2.gz YJASHPNXNIKAEW-SJORKVTESA-N 1 2 371.437 3.017 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248607630 497055542 /nfs/dbraw/zinc/05/55/42/497055542.db2.gz PJOGZYVOJYPRFA-QUCCMNQESA-N 1 2 369.509 3.051 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248607630 497055548 /nfs/dbraw/zinc/05/55/48/497055548.db2.gz PJOGZYVOJYPRFA-QUCCMNQESA-N 1 2 369.509 3.051 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248631403 497064738 /nfs/dbraw/zinc/06/47/38/497064738.db2.gz RBWXEMCTAAAIRF-QGTPRVQTSA-N 1 2 350.890 3.430 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248631403 497064742 /nfs/dbraw/zinc/06/47/42/497064742.db2.gz RBWXEMCTAAAIRF-QGTPRVQTSA-N 1 2 350.890 3.430 20 30 FGEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000274522664 497117441 /nfs/dbraw/zinc/11/74/41/497117441.db2.gz YXQZMQWQYLZTSK-IBGZPJMESA-N 1 2 350.418 3.063 20 30 FGEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000274522664 497117447 /nfs/dbraw/zinc/11/74/47/497117447.db2.gz YXQZMQWQYLZTSK-IBGZPJMESA-N 1 2 350.418 3.063 20 30 FGEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000270492497 497139014 /nfs/dbraw/zinc/13/90/14/497139014.db2.gz XTBSIQMHYKHKKM-MRXNPFEDSA-N 1 2 362.861 3.055 20 30 FGEDLO COCC[N@H+](Cc1ccc(C)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192622578 497165866 /nfs/dbraw/zinc/16/58/66/497165866.db2.gz YXANQSQNJBPNJC-FQEVSTJZSA-N 1 2 367.449 3.104 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192622578 497165870 /nfs/dbraw/zinc/16/58/70/497165870.db2.gz YXANQSQNJBPNJC-FQEVSTJZSA-N 1 2 367.449 3.104 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000278633679 497174225 /nfs/dbraw/zinc/17/42/25/497174225.db2.gz FUXOJONECNIFRG-KRWDZBQOSA-N 1 2 365.393 3.045 20 30 FGEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)C1 ZINC000278633679 497174229 /nfs/dbraw/zinc/17/42/29/497174229.db2.gz FUXOJONECNIFRG-KRWDZBQOSA-N 1 2 365.393 3.045 20 30 FGEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000192802879 497218018 /nfs/dbraw/zinc/21/80/18/497218018.db2.gz ISZHQYUHSCRYNY-UHFFFAOYSA-N 1 2 373.416 3.115 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000249841769 497253086 /nfs/dbraw/zinc/25/30/86/497253086.db2.gz XMZJYVOJVZCYEV-UONOGXRCSA-N 1 2 366.303 3.450 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000249841769 497253090 /nfs/dbraw/zinc/25/30/90/497253090.db2.gz XMZJYVOJVZCYEV-UONOGXRCSA-N 1 2 366.303 3.450 20 30 FGEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190134318 497369815 /nfs/dbraw/zinc/36/98/15/497369815.db2.gz NPHAUSCKHFPZRQ-HNNXBMFYSA-N 1 2 369.387 3.388 20 30 FGEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190134318 497369819 /nfs/dbraw/zinc/36/98/19/497369819.db2.gz NPHAUSCKHFPZRQ-HNNXBMFYSA-N 1 2 369.387 3.388 20 30 FGEDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152178 497377386 /nfs/dbraw/zinc/37/73/86/497377386.db2.gz VRVFRJRCMJINHB-MSOLQXFVSA-N 1 2 356.426 3.023 20 30 FGEDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152178 497377390 /nfs/dbraw/zinc/37/73/90/497377390.db2.gz VRVFRJRCMJINHB-MSOLQXFVSA-N 1 2 356.426 3.023 20 30 FGEDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000193772010 497476239 /nfs/dbraw/zinc/47/62/39/497476239.db2.gz GNMHEWKXBCKJMF-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643965 497485271 /nfs/dbraw/zinc/48/52/71/497485271.db2.gz BRASYCAMAMBBQZ-ZWKOTPCHSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643965 497485274 /nfs/dbraw/zinc/48/52/74/497485274.db2.gz BRASYCAMAMBBQZ-ZWKOTPCHSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713271 497512684 /nfs/dbraw/zinc/51/26/84/497512684.db2.gz UGYJJYXZVAHKHF-ZWKOTPCHSA-N 1 2 356.376 3.403 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245713271 497512686 /nfs/dbraw/zinc/51/26/86/497512686.db2.gz UGYJJYXZVAHKHF-ZWKOTPCHSA-N 1 2 356.376 3.403 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000267545769 497576283 /nfs/dbraw/zinc/57/62/83/497576283.db2.gz OLKGWZYMYXNXQI-SFHVURJKSA-N 1 2 365.481 3.053 20 30 FGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000267545769 497576287 /nfs/dbraw/zinc/57/62/87/497576287.db2.gz OLKGWZYMYXNXQI-SFHVURJKSA-N 1 2 365.481 3.053 20 30 FGEDLO N#CC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CCCCC1 ZINC000272590141 497673362 /nfs/dbraw/zinc/67/33/62/497673362.db2.gz FWELGQMOWBAVNZ-QGZVFWFLSA-N 1 2 352.438 3.369 20 30 FGEDLO N#CC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CCCCC1 ZINC000272590141 497673370 /nfs/dbraw/zinc/67/33/70/497673370.db2.gz FWELGQMOWBAVNZ-QGZVFWFLSA-N 1 2 352.438 3.369 20 30 FGEDLO Cc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000280192027 497676853 /nfs/dbraw/zinc/67/68/53/497676853.db2.gz UDKSNHDPMQDOBF-LEWJYISDSA-N 1 2 350.466 3.124 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NCc2ccc(N(C)CCOC)[nH+]c2)cc1 ZINC000191061836 497697258 /nfs/dbraw/zinc/69/72/58/497697258.db2.gz ICBLKLQWXLFQCS-UHFFFAOYSA-N 1 2 369.469 3.084 20 30 FGEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000191121548 497715256 /nfs/dbraw/zinc/71/52/56/497715256.db2.gz URKDVTVUUSJVQS-UHFFFAOYSA-N 1 2 364.367 3.480 20 30 FGEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000191121548 497715264 /nfs/dbraw/zinc/71/52/64/497715264.db2.gz URKDVTVUUSJVQS-UHFFFAOYSA-N 1 2 364.367 3.480 20 30 FGEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000329648455 497856165 /nfs/dbraw/zinc/85/61/65/497856165.db2.gz AYXKICKROUPKDM-CABCVRRESA-N 1 2 364.559 3.483 20 30 FGEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccc2ccsc21 ZINC000329774122 497897272 /nfs/dbraw/zinc/89/72/72/497897272.db2.gz LYYNBLZRUWJEHU-UHFFFAOYSA-N 1 2 371.506 3.150 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000329849431 497925833 /nfs/dbraw/zinc/92/58/33/497925833.db2.gz RVTVPXVUDZEROU-PXNSSMCTSA-N 1 2 368.481 3.168 20 30 FGEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000284878186 497929638 /nfs/dbraw/zinc/92/96/38/497929638.db2.gz KVWDAGRSPFNMNW-OAHLLOKOSA-N 1 2 352.413 3.250 20 30 FGEDLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000301068956 497938675 /nfs/dbraw/zinc/93/86/75/497938675.db2.gz GTSOLZXBVJLLBG-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000329889926 497940931 /nfs/dbraw/zinc/94/09/31/497940931.db2.gz FIWIBIMCCXPAFC-IXDOHACOSA-N 1 2 360.502 3.077 20 30 FGEDLO O=C(NCC1(C(F)F)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329938311 497960521 /nfs/dbraw/zinc/96/05/21/497960521.db2.gz LXWRULKXDKYCRK-UHFFFAOYSA-N 1 2 352.429 3.358 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329960682 497971008 /nfs/dbraw/zinc/97/10/08/497971008.db2.gz OASORVAAWGGDKH-KRWDZBQOSA-N 1 2 373.476 3.119 20 30 FGEDLO CCN1CCN(C(=O)NCC2(c3ccccc3C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329967222 497974175 /nfs/dbraw/zinc/97/41/75/497974175.db2.gz SKOCTEFVXTUBON-GOSISDBHSA-N 1 2 367.497 3.043 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075590 498011859 /nfs/dbraw/zinc/01/18/59/498011859.db2.gz LXDWXPVGOSOZDU-SJCJKPOMSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)sc1C ZINC000330075590 498011863 /nfs/dbraw/zinc/01/18/63/498011863.db2.gz LXDWXPVGOSOZDU-SJCJKPOMSA-N 1 2 353.488 3.006 20 30 FGEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000330118862 498029043 /nfs/dbraw/zinc/02/90/43/498029043.db2.gz ZCQUUAOHEMWAQN-WJFTUGDTSA-N 1 2 371.529 3.256 20 30 FGEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000330118862 498029045 /nfs/dbraw/zinc/02/90/45/498029045.db2.gz ZCQUUAOHEMWAQN-WJFTUGDTSA-N 1 2 371.529 3.256 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc(F)cc1 ZINC000330146877 498039006 /nfs/dbraw/zinc/03/90/06/498039006.db2.gz IHAOJVUXJYGUAC-UIAACRFSSA-N 1 2 364.461 3.359 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc(F)cc1 ZINC000330146877 498039012 /nfs/dbraw/zinc/03/90/12/498039012.db2.gz IHAOJVUXJYGUAC-UIAACRFSSA-N 1 2 364.461 3.359 20 30 FGEDLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCC(=O)CC1 ZINC000330161189 498045397 /nfs/dbraw/zinc/04/53/97/498045397.db2.gz SUBYZNMGQMRVGR-UHFFFAOYSA-N 1 2 363.889 3.178 20 30 FGEDLO N#CC[C@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1 ZINC000350191130 498056573 /nfs/dbraw/zinc/05/65/73/498056573.db2.gz RNRQPPDECZPWEL-KZNAEPCWSA-N 1 2 352.438 3.235 20 30 FGEDLO N#CC[C@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)c1ccccc1 ZINC000350191130 498056577 /nfs/dbraw/zinc/05/65/77/498056577.db2.gz RNRQPPDECZPWEL-KZNAEPCWSA-N 1 2 352.438 3.235 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCC(F)(F)C2)CCO1 ZINC000330194422 498057150 /nfs/dbraw/zinc/05/71/50/498057150.db2.gz OSPUMCSCUYNWLL-LZWOXQAQSA-N 1 2 370.444 3.359 20 30 FGEDLO [O-]C(N[C@@H]1CCCOc2cc(Cl)ccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199826 498059235 /nfs/dbraw/zinc/05/92/35/498059235.db2.gz VYBRGXCUVZQIER-UKRRQHHQSA-N 1 2 360.845 3.269 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000296539643 498086173 /nfs/dbraw/zinc/08/61/73/498086173.db2.gz QGBKFLZNBBVHND-ROUUACIJSA-N 1 2 351.454 3.007 20 30 FGEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1OCCc2sccc21 ZINC000330271106 498088186 /nfs/dbraw/zinc/08/81/86/498088186.db2.gz VJZAXECUDMZSSO-YVEFUNNKSA-N 1 2 360.483 3.267 20 30 FGEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1OCCc2sccc21 ZINC000330271106 498088193 /nfs/dbraw/zinc/08/81/93/498088193.db2.gz VJZAXECUDMZSSO-YVEFUNNKSA-N 1 2 360.483 3.267 20 30 FGEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1OCCc2sccc21 ZINC000330271105 498088216 /nfs/dbraw/zinc/08/82/16/498088216.db2.gz VJZAXECUDMZSSO-SJCJKPOMSA-N 1 2 360.483 3.267 20 30 FGEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H]1OCCc2sccc21 ZINC000330271105 498088223 /nfs/dbraw/zinc/08/82/23/498088223.db2.gz VJZAXECUDMZSSO-SJCJKPOMSA-N 1 2 360.483 3.267 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C12CCCCC2 ZINC000330279742 498090541 /nfs/dbraw/zinc/09/05/41/498090541.db2.gz RMPJBZQOOKQBGK-IXDOHACOSA-N 1 2 360.502 3.172 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C12CCCCC2 ZINC000330279743 498091407 /nfs/dbraw/zinc/09/14/07/498091407.db2.gz RMPJBZQOOKQBGK-YESZJQIVSA-N 1 2 360.502 3.172 20 30 FGEDLO Cc1ccc(CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC000330330754 498106871 /nfs/dbraw/zinc/10/68/71/498106871.db2.gz NNVDKWIWXFMPQX-MJGOQNOKSA-N 1 2 356.470 3.003 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CCc2nc(C3CCCC3)no2)CCO1 ZINC000330330478 498106994 /nfs/dbraw/zinc/10/69/94/498106994.db2.gz NJCYDRCBUKXFHN-HOCLYGCPSA-N 1 2 373.457 3.270 20 30 FGEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)NCC1CCC(F)(F)CC1 ZINC000330411232 498127851 /nfs/dbraw/zinc/12/78/51/498127851.db2.gz YYRHOXNDPCOCQO-UHFFFAOYSA-N 1 2 354.323 3.275 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000289652547 498232908 /nfs/dbraw/zinc/23/29/08/498232908.db2.gz CHVTYKWKNDFSNN-SFHVURJKSA-N 1 2 362.437 3.492 20 30 FGEDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000289652547 498232915 /nfs/dbraw/zinc/23/29/15/498232915.db2.gz CHVTYKWKNDFSNN-SFHVURJKSA-N 1 2 362.437 3.492 20 30 FGEDLO CSc1cccc(C)c1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331004348 498234287 /nfs/dbraw/zinc/23/42/87/498234287.db2.gz BCHVQULESYRQGR-UHFFFAOYSA-N 1 2 350.488 3.194 20 30 FGEDLO COc1cccc([C@@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn2C)c1 ZINC000360733997 498303379 /nfs/dbraw/zinc/30/33/79/498303379.db2.gz NBIMULLYNUDJIQ-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO C[C@H](c1nnc(Sc2cccc(C#N)n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301875949 498306775 /nfs/dbraw/zinc/30/67/75/498306775.db2.gz YFUIICCHUAYFBK-GFCCVEGCSA-N 1 2 368.441 3.447 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000360850032 498316412 /nfs/dbraw/zinc/31/64/12/498316412.db2.gz NIKYXDLGYNMTJX-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000360850032 498316416 /nfs/dbraw/zinc/31/64/16/498316416.db2.gz NIKYXDLGYNMTJX-IBGZPJMESA-N 1 2 372.515 3.122 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139607 498318318 /nfs/dbraw/zinc/31/83/18/498318318.db2.gz RQGRNJWESJQTQZ-RBUKOAKNSA-N 1 2 350.422 3.187 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139607 498318322 /nfs/dbraw/zinc/31/83/22/498318322.db2.gz RQGRNJWESJQTQZ-RBUKOAKNSA-N 1 2 350.422 3.187 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520070 506006533 /nfs/dbraw/zinc/00/65/33/506006533.db2.gz FCEGKZHYGCKPQY-BJJXKVORSA-N 1 2 352.356 3.351 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520070 506006537 /nfs/dbraw/zinc/00/65/37/506006537.db2.gz FCEGKZHYGCKPQY-BJJXKVORSA-N 1 2 352.356 3.351 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000578805772 506024705 /nfs/dbraw/zinc/02/47/05/506024705.db2.gz ABZXCMCIFGJXEP-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO C=CCOc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000365304883 498396193 /nfs/dbraw/zinc/39/61/93/498396193.db2.gz MFBYXQQAJKMOOI-UHFFFAOYSA-N 1 2 355.438 3.065 20 30 FGEDLO N#Cc1ccc(OC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000361478273 498397463 /nfs/dbraw/zinc/39/74/63/498397463.db2.gz MKOYJRVYHMXRKP-UHFFFAOYSA-N 1 2 372.428 3.428 20 30 FGEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000293532624 498405532 /nfs/dbraw/zinc/40/55/32/498405532.db2.gz YXDHOYLLXAWSFQ-UHFFFAOYSA-N 1 2 354.454 3.108 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365404375 498448661 /nfs/dbraw/zinc/44/86/61/498448661.db2.gz POFVEBZRFDICMX-MRXNPFEDSA-N 1 2 372.538 3.316 20 30 FGEDLO N#Cc1c(Br)cccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000290440624 498554924 /nfs/dbraw/zinc/55/49/24/498554924.db2.gz BZQLDXTWARSQAA-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303942757 498730287 /nfs/dbraw/zinc/73/02/87/498730287.db2.gz YUVVTZSEUXMACY-UHFFFAOYSA-N 1 2 371.868 3.421 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2)c1C ZINC000579055522 506083036 /nfs/dbraw/zinc/08/30/36/506083036.db2.gz PEBOXJYIKINQFO-UHFFFAOYSA-N 1 2 370.409 3.301 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366097011 498773275 /nfs/dbraw/zinc/77/32/75/498773275.db2.gz XQCGTUCNTFNKLK-LLVKDONJSA-N 1 2 350.875 3.380 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366097011 498773280 /nfs/dbraw/zinc/77/32/80/498773280.db2.gz XQCGTUCNTFNKLK-LLVKDONJSA-N 1 2 350.875 3.380 20 30 FGEDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000315634419 498783920 /nfs/dbraw/zinc/78/39/20/498783920.db2.gz VDZZALQGPDMUMK-OAHLLOKOSA-N 1 2 351.244 3.238 20 30 FGEDLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000315634419 498783925 /nfs/dbraw/zinc/78/39/25/498783925.db2.gz VDZZALQGPDMUMK-OAHLLOKOSA-N 1 2 351.244 3.238 20 30 FGEDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc(C#N)c(C)n3)CC2)cc1 ZINC000363446492 498825605 /nfs/dbraw/zinc/82/56/05/498825605.db2.gz LGVJXCVZSLWECL-UHFFFAOYSA-N 1 2 364.449 3.011 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1cccc(C#N)c1 ZINC000328630354 498881038 /nfs/dbraw/zinc/88/10/38/498881038.db2.gz JHKZQTIORJPCMC-IRXDYDNUSA-N 1 2 357.454 3.304 20 30 FGEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1cccc(C#N)c1 ZINC000328630354 498881042 /nfs/dbraw/zinc/88/10/42/498881042.db2.gz JHKZQTIORJPCMC-IRXDYDNUSA-N 1 2 357.454 3.304 20 30 FGEDLO Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328632223 498883238 /nfs/dbraw/zinc/88/32/38/498883238.db2.gz LEKLOIWONRTBNP-MRXNPFEDSA-N 1 2 356.474 3.064 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](Nc3ccccc3)C1)CCC2 ZINC000328637144 498884903 /nfs/dbraw/zinc/88/49/03/498884903.db2.gz AOQVCZGHRPHZCY-FUHWJXTLSA-N 1 2 353.470 3.169 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374326 498899000 /nfs/dbraw/zinc/89/90/00/498899000.db2.gz HTHUQRFXKIQKDB-BBRMVZONSA-N 1 2 358.467 3.161 20 30 FGEDLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374326 498899004 /nfs/dbraw/zinc/89/90/04/498899004.db2.gz HTHUQRFXKIQKDB-BBRMVZONSA-N 1 2 358.467 3.161 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C2CC2)O1 ZINC000366378955 498901447 /nfs/dbraw/zinc/90/14/47/498901447.db2.gz NTJCCPXTJATEPG-YCRPNKLZSA-N 1 2 351.450 3.237 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C2CC2)O1 ZINC000366378955 498901452 /nfs/dbraw/zinc/90/14/52/498901452.db2.gz NTJCCPXTJATEPG-YCRPNKLZSA-N 1 2 351.450 3.237 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](c3ccccc3)C1)CCC2 ZINC000328705303 498909239 /nfs/dbraw/zinc/90/92/39/498909239.db2.gz LCTHJDJGVIPAHW-YTQUADARSA-N 1 2 368.481 3.445 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328713615 498911188 /nfs/dbraw/zinc/91/11/88/498911188.db2.gz NWNFSWIEBJUCHH-CYBMUJFWSA-N 1 2 374.407 3.141 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cn2c(n1)CCCC2 ZINC000328722630 498915336 /nfs/dbraw/zinc/91/53/36/498915336.db2.gz RZAXUFISLJAWTF-CQSZACIVSA-N 1 2 374.435 3.467 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cn2c(n1)CCCC2 ZINC000328722630 498915340 /nfs/dbraw/zinc/91/53/40/498915340.db2.gz RZAXUFISLJAWTF-CQSZACIVSA-N 1 2 374.435 3.467 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ncoc3C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000328764975 498931822 /nfs/dbraw/zinc/93/18/22/498931822.db2.gz OZVAYFCIWBLUBQ-BETUJISGSA-N 1 2 356.426 3.065 20 30 FGEDLO Cc1cc([C@@H]2CCCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C2)[nH]n1 ZINC000328773276 498933870 /nfs/dbraw/zinc/93/38/70/498933870.db2.gz DQAGRBQJAXGMIZ-CYBMUJFWSA-N 1 2 372.860 3.313 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CCCC12CCOCC2 ZINC000328781072 498936228 /nfs/dbraw/zinc/93/62/28/498936228.db2.gz JHHBVLHBWIODLL-SFHVURJKSA-N 1 2 354.454 3.225 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cscc3C(F)(F)F)CC2)n1 ZINC000576286148 506122112 /nfs/dbraw/zinc/12/21/12/506122112.db2.gz KZCKFFJIPJBSTO-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC4(CCC4)C3)n2)C1 ZINC000328942428 498993175 /nfs/dbraw/zinc/99/31/75/498993175.db2.gz FMVBHFJYWHJZNZ-AWEZNQCLSA-N 1 2 364.515 3.175 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC4(CCC4)C3)n2)C1 ZINC000328942428 498993184 /nfs/dbraw/zinc/99/31/84/498993184.db2.gz FMVBHFJYWHJZNZ-AWEZNQCLSA-N 1 2 364.515 3.175 20 30 FGEDLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000328955639 498999002 /nfs/dbraw/zinc/99/90/02/498999002.db2.gz NHNIXKVMCVYODY-HBUWYVDXSA-N 1 2 355.486 3.092 20 30 FGEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329040034 499022674 /nfs/dbraw/zinc/02/26/74/499022674.db2.gz DDVIAZJJGUUPMX-QFIPXVFZSA-N 1 2 372.509 3.336 20 30 FGEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCC1(c2ccccc2)CCCC1 ZINC000329040034 499022679 /nfs/dbraw/zinc/02/26/79/499022679.db2.gz DDVIAZJJGUUPMX-QFIPXVFZSA-N 1 2 372.509 3.336 20 30 FGEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329087431 499038005 /nfs/dbraw/zinc/03/80/05/499038005.db2.gz HHWYRTKZFXKEHI-YQQAZPJKSA-N 1 2 367.490 3.018 20 30 FGEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329087431 499038011 /nfs/dbraw/zinc/03/80/11/499038011.db2.gz HHWYRTKZFXKEHI-YQQAZPJKSA-N 1 2 367.490 3.018 20 30 FGEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000284098889 499047636 /nfs/dbraw/zinc/04/76/36/499047636.db2.gz LDNRCZMKLNABKB-CABZTGNLSA-N 1 2 370.331 3.284 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC000329149927 499056496 /nfs/dbraw/zinc/05/64/96/499056496.db2.gz RBSDCSCAVMDOAI-HNNXBMFYSA-N 1 2 366.465 3.108 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000291795735 499070928 /nfs/dbraw/zinc/07/09/28/499070928.db2.gz AQJTWJGONKOLLO-UHFFFAOYSA-N 1 2 365.524 3.483 20 30 FGEDLO C=CCCCS(=O)(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000291795735 499070933 /nfs/dbraw/zinc/07/09/33/499070933.db2.gz AQJTWJGONKOLLO-UHFFFAOYSA-N 1 2 365.524 3.483 20 30 FGEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@@H]2CCCC[C@H]21 ZINC000329336370 499102931 /nfs/dbraw/zinc/10/29/31/499102931.db2.gz LSQOHACEFIRAIL-SPUZQDLCSA-N 1 2 360.502 3.312 20 30 FGEDLO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000329348800 499105013 /nfs/dbraw/zinc/10/50/13/499105013.db2.gz SHYNKYDBAWHTLA-IRXDYDNUSA-N 1 2 368.485 3.007 20 30 FGEDLO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000329348800 499105016 /nfs/dbraw/zinc/10/50/16/499105016.db2.gz SHYNKYDBAWHTLA-IRXDYDNUSA-N 1 2 368.485 3.007 20 30 FGEDLO COc1ccccc1[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccn1 ZINC000366931555 499118095 /nfs/dbraw/zinc/11/80/95/499118095.db2.gz HAVQRJSOKRWNPC-JOCHJYFZSA-N 1 2 369.428 3.489 20 30 FGEDLO O=C(Nc1ccc(N2CCCCC2)nc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329429051 499120245 /nfs/dbraw/zinc/12/02/45/499120245.db2.gz HUDPSSLVQQYBFB-GOSISDBHSA-N 1 2 358.486 3.303 20 30 FGEDLO O=C(Nc1ccc(N2CCCCC2)nc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329429051 499120248 /nfs/dbraw/zinc/12/02/48/499120248.db2.gz HUDPSSLVQQYBFB-GOSISDBHSA-N 1 2 358.486 3.303 20 30 FGEDLO Cc1c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000367333790 499183342 /nfs/dbraw/zinc/18/33/42/499183342.db2.gz KYYNEVOMHQZSDA-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO Cc1c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000367333790 499183345 /nfs/dbraw/zinc/18/33/45/499183345.db2.gz KYYNEVOMHQZSDA-QGZVFWFLSA-N 1 2 357.845 3.029 20 30 FGEDLO C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000370595548 499234274 /nfs/dbraw/zinc/23/42/74/499234274.db2.gz WUHUHDIEGKPIJV-UHFFFAOYSA-N 1 2 354.454 3.323 20 30 FGEDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367824767 499236319 /nfs/dbraw/zinc/23/63/19/499236319.db2.gz RTZJOKYVEJVGDH-QGZVFWFLSA-N 1 2 373.440 3.346 20 30 FGEDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000367824767 499236321 /nfs/dbraw/zinc/23/63/21/499236321.db2.gz RTZJOKYVEJVGDH-QGZVFWFLSA-N 1 2 373.440 3.346 20 30 FGEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)no1 ZINC000370772466 499253188 /nfs/dbraw/zinc/25/31/88/499253188.db2.gz ITLFOSNWQZKLOC-UHFFFAOYSA-N 1 2 373.501 3.057 20 30 FGEDLO CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470772 499330954 /nfs/dbraw/zinc/33/09/54/499330954.db2.gz OKUOFQCYLDMGTH-JLTOFOAXSA-N 1 2 366.490 3.187 20 30 FGEDLO CC(C)Cc1ncc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470772 499330956 /nfs/dbraw/zinc/33/09/56/499330956.db2.gz OKUOFQCYLDMGTH-JLTOFOAXSA-N 1 2 366.490 3.187 20 30 FGEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000371843668 499371050 /nfs/dbraw/zinc/37/10/50/499371050.db2.gz AWBPEXPOKWVYAP-SFHVURJKSA-N 1 2 363.465 3.437 20 30 FGEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007397 499389288 /nfs/dbraw/zinc/38/92/88/499389288.db2.gz VFWBQLZZRXKFFH-VQTJNVASSA-N 1 2 362.408 3.242 20 30 FGEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000372007397 499389290 /nfs/dbraw/zinc/38/92/90/499389290.db2.gz VFWBQLZZRXKFFH-VQTJNVASSA-N 1 2 362.408 3.242 20 30 FGEDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373037130 499448482 /nfs/dbraw/zinc/44/84/82/499448482.db2.gz OIMNAIREUIJZLU-KRWDZBQOSA-N 1 2 362.836 3.030 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000375159209 499490821 /nfs/dbraw/zinc/49/08/21/499490821.db2.gz LEFXBRMMTGSCMH-ZDUSSCGKSA-N 1 2 365.437 3.025 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000378264456 499496008 /nfs/dbraw/zinc/49/60/08/499496008.db2.gz KXDMJEYLQKYOET-AWEZNQCLSA-N 1 2 353.426 3.100 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000375214582 499496010 /nfs/dbraw/zinc/49/60/10/499496010.db2.gz IUHXXTBVXXAWCE-VQIMIIECSA-N 1 2 364.449 3.475 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000378265390 499496024 /nfs/dbraw/zinc/49/60/24/499496024.db2.gz USLQODPSKKZPKY-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000378370792 499508076 /nfs/dbraw/zinc/50/80/76/499508076.db2.gz MKZVLDNLGNGRAD-LJQANCHMSA-N 1 2 354.454 3.283 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000378370792 499508077 /nfs/dbraw/zinc/50/80/77/499508077.db2.gz MKZVLDNLGNGRAD-LJQANCHMSA-N 1 2 354.454 3.283 20 30 FGEDLO CCCc1c(NC(=O)CCc2c[nH+]cn2C)cnn1-c1cccc(C#N)c1 ZINC000375649414 499541199 /nfs/dbraw/zinc/54/11/99/499541199.db2.gz QNHOAWNWUHOCRQ-UHFFFAOYSA-N 1 2 362.437 3.001 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375660103 499542328 /nfs/dbraw/zinc/54/23/28/499542328.db2.gz ZIZOZCNRVXZYCO-OAHLLOKOSA-N 1 2 350.344 3.250 20 30 FGEDLO C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000396371508 499563227 /nfs/dbraw/zinc/56/32/27/499563227.db2.gz DRFZSJQUTKJQOG-AWEZNQCLSA-N 1 2 355.388 3.183 20 30 FGEDLO C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000396371508 499563228 /nfs/dbraw/zinc/56/32/28/499563228.db2.gz DRFZSJQUTKJQOG-AWEZNQCLSA-N 1 2 355.388 3.183 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000409827308 499623854 /nfs/dbraw/zinc/62/38/54/499623854.db2.gz RNJJPSAUIZBXIH-AWEZNQCLSA-N 1 2 363.425 3.013 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1c1ccccc1Cl ZINC000377122308 499664067 /nfs/dbraw/zinc/66/40/67/499664067.db2.gz DUNHPTOQYVKQGP-SFHVURJKSA-N 1 2 369.852 3.371 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1c1ccccc1Cl ZINC000377122308 499664068 /nfs/dbraw/zinc/66/40/68/499664068.db2.gz DUNHPTOQYVKQGP-SFHVURJKSA-N 1 2 369.852 3.371 20 30 FGEDLO C=CCCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000576428055 506155644 /nfs/dbraw/zinc/15/56/44/506155644.db2.gz QFKSNVMXTUACBG-UHFFFAOYSA-N 1 2 351.248 3.171 20 30 FGEDLO N#C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCN1C1CC1 ZINC000377664288 499716999 /nfs/dbraw/zinc/71/69/99/499716999.db2.gz AMMMTZUGGKSVPN-QGZVFWFLSA-N 1 2 363.421 3.078 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377740818 499727286 /nfs/dbraw/zinc/72/72/86/499727286.db2.gz DNALESNESULDCS-OLZOCXBDSA-N 1 2 355.467 3.340 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377740818 499727288 /nfs/dbraw/zinc/72/72/88/499727288.db2.gz DNALESNESULDCS-OLZOCXBDSA-N 1 2 355.467 3.340 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc(C#N)c3)CCCCCC2)no1 ZINC000411350007 499728355 /nfs/dbraw/zinc/72/83/55/499728355.db2.gz MTYPFENPYMBMIH-UHFFFAOYSA-N 1 2 367.453 3.418 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071307 499757200 /nfs/dbraw/zinc/75/72/00/499757200.db2.gz FIOUZNGRYVZIKO-LJQANCHMSA-N 1 2 352.438 3.091 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071307 499757201 /nfs/dbraw/zinc/75/72/01/499757201.db2.gz FIOUZNGRYVZIKO-LJQANCHMSA-N 1 2 352.438 3.091 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000412811774 499887075 /nfs/dbraw/zinc/88/70/75/499887075.db2.gz CYOSBUGSIBVOFD-QFIPXVFZSA-N 1 2 364.489 3.436 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000413402944 499949472 /nfs/dbraw/zinc/94/94/72/499949472.db2.gz KBKUGHYUTKUBQX-MOPGFXCFSA-N 1 2 350.466 3.147 20 30 FGEDLO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)c(O)c3)sc2C1 ZINC000425032651 499999514 /nfs/dbraw/zinc/99/95/14/499999514.db2.gz COJLDMBYSILBHR-UHFFFAOYSA-N 1 2 356.451 3.129 20 30 FGEDLO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)c(O)c3)sc2C1 ZINC000425032651 499999525 /nfs/dbraw/zinc/99/95/25/499999525.db2.gz COJLDMBYSILBHR-UHFFFAOYSA-N 1 2 356.451 3.129 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000429203622 500023695 /nfs/dbraw/zinc/02/36/95/500023695.db2.gz NAFVEGVBAFTKEH-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429211880 500023967 /nfs/dbraw/zinc/02/39/67/500023967.db2.gz YZVFMEOMGKNDHD-LIRRHRJNSA-N 1 2 362.905 3.357 20 30 FGEDLO Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(C#N)c[nH+]1 ZINC000425215000 500046009 /nfs/dbraw/zinc/04/60/09/500046009.db2.gz LKXYAYSBNBWLRZ-UHFFFAOYSA-N 1 2 354.841 3.268 20 30 FGEDLO Cc1cc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000421574335 500084637 /nfs/dbraw/zinc/08/46/37/500084637.db2.gz FJTZGQNOCBXSTR-UHFFFAOYSA-N 1 2 364.449 3.042 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000430175911 500204192 /nfs/dbraw/zinc/20/41/92/500204192.db2.gz GCZLBICDPHKSPY-HNNXBMFYSA-N 1 2 357.845 3.156 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1C ZINC000430256840 500216427 /nfs/dbraw/zinc/21/64/27/500216427.db2.gz MAGFSPBDUGWCPF-LLGFUMIMSA-N 1 2 360.498 3.132 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1C ZINC000430256840 500216430 /nfs/dbraw/zinc/21/64/30/500216430.db2.gz MAGFSPBDUGWCPF-LLGFUMIMSA-N 1 2 360.498 3.132 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c(OC(F)F)c1 ZINC000426720718 500310364 /nfs/dbraw/zinc/31/03/64/500310364.db2.gz ORBPBJJNZVGEPZ-UHFFFAOYSA-N 1 2 373.407 3.082 20 30 FGEDLO C[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000431705997 500412260 /nfs/dbraw/zinc/41/22/60/500412260.db2.gz AOXHWOMOHRMRAO-MTNREXPMSA-N 1 2 359.473 3.252 20 30 FGEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420920494 500531236 /nfs/dbraw/zinc/53/12/36/500531236.db2.gz BGJRWADDTBBCDV-UKRRQHHQSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420920494 500531237 /nfs/dbraw/zinc/53/12/37/500531237.db2.gz BGJRWADDTBBCDV-UKRRQHHQSA-N 1 2 359.426 3.409 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000428816167 500561661 /nfs/dbraw/zinc/56/16/61/500561661.db2.gz HUMNBQVINVDPDR-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nc1 ZINC000428816167 500561663 /nfs/dbraw/zinc/56/16/63/500561663.db2.gz HUMNBQVINVDPDR-OAHLLOKOSA-N 1 2 358.785 3.168 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000570620881 506206449 /nfs/dbraw/zinc/20/64/49/506206449.db2.gz KHOACXGKCHECSY-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433293530 500663242 /nfs/dbraw/zinc/66/32/42/500663242.db2.gz FUNAUCSPIYKAAI-ZDUSSCGKSA-N 1 2 366.303 3.278 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433293530 500663244 /nfs/dbraw/zinc/66/32/44/500663244.db2.gz FUNAUCSPIYKAAI-ZDUSSCGKSA-N 1 2 366.303 3.278 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C#N)CCc2ccccc2)c[nH+]1 ZINC000433309647 500668665 /nfs/dbraw/zinc/66/86/65/500668665.db2.gz BVPAYUDBFQSXSJ-LJQANCHMSA-N 1 2 350.466 3.317 20 30 FGEDLO N#Cc1ccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000443158152 500689372 /nfs/dbraw/zinc/68/93/72/500689372.db2.gz UDGFZNGQPILVLC-UHFFFAOYSA-N 1 2 354.841 3.391 20 30 FGEDLO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000443158152 500689375 /nfs/dbraw/zinc/68/93/75/500689375.db2.gz UDGFZNGQPILVLC-UHFFFAOYSA-N 1 2 354.841 3.391 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000448133349 500721449 /nfs/dbraw/zinc/72/14/49/500721449.db2.gz WHIMOYXHXOGPMW-UHFFFAOYSA-N 1 2 356.491 3.409 20 30 FGEDLO C=CCCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000448376261 500755538 /nfs/dbraw/zinc/75/55/38/500755538.db2.gz OYMQMFFBABAZNI-UHFFFAOYSA-N 1 2 362.433 3.331 20 30 FGEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC12CCCC2 ZINC000448588115 500778690 /nfs/dbraw/zinc/77/86/90/500778690.db2.gz STFXKLZJSOSFTK-FQEVSTJZSA-N 1 2 357.885 3.458 20 30 FGEDLO C=CCOc1ccc(CC(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1 ZINC000448715571 500812692 /nfs/dbraw/zinc/81/26/92/500812692.db2.gz FXIAGTZIUPBUOW-UHFFFAOYSA-N 1 2 353.466 3.352 20 30 FGEDLO C=CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000448725580 500815458 /nfs/dbraw/zinc/81/54/58/500815458.db2.gz LXEMTUJCCKAEAA-UHFFFAOYSA-N 1 2 365.477 3.496 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434665374 500875963 /nfs/dbraw/zinc/87/59/63/500875963.db2.gz MBZNJIAXZQURAP-VFNWGFHPSA-N 1 2 373.472 3.163 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611580507 506221845 /nfs/dbraw/zinc/22/18/45/506221845.db2.gz WZTQSBWMFRBMMI-QGZVFWFLSA-N 1 2 365.424 3.254 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611580507 506221849 /nfs/dbraw/zinc/22/18/49/506221849.db2.gz WZTQSBWMFRBMMI-QGZVFWFLSA-N 1 2 365.424 3.254 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448957217 500880205 /nfs/dbraw/zinc/88/02/05/500880205.db2.gz RSEXUTVXQOOTTN-OAHLLOKOSA-N 1 2 374.847 3.382 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448957217 500880208 /nfs/dbraw/zinc/88/02/08/500880208.db2.gz RSEXUTVXQOOTTN-OAHLLOKOSA-N 1 2 374.847 3.382 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448957216 500880562 /nfs/dbraw/zinc/88/05/62/500880562.db2.gz RSEXUTVXQOOTTN-HNNXBMFYSA-N 1 2 374.847 3.382 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000448957216 500880565 /nfs/dbraw/zinc/88/05/65/500880565.db2.gz RSEXUTVXQOOTTN-HNNXBMFYSA-N 1 2 374.847 3.382 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000435068628 500930233 /nfs/dbraw/zinc/93/02/33/500930233.db2.gz WEWPENDHFBVJLJ-FXAWDEMLSA-N 1 2 352.409 3.476 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000435068628 500930234 /nfs/dbraw/zinc/93/02/34/500930234.db2.gz WEWPENDHFBVJLJ-FXAWDEMLSA-N 1 2 352.409 3.476 20 30 FGEDLO CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000435390013 500966837 /nfs/dbraw/zinc/96/68/37/500966837.db2.gz PNMOZBSIISRVRP-NRFANRHFSA-N 1 2 362.477 3.037 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435604657 501000514 /nfs/dbraw/zinc/00/05/14/501000514.db2.gz DXRIANANTWZOSQ-KXBFYZLASA-N 1 2 368.437 3.429 20 30 FGEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000440407932 501006310 /nfs/dbraw/zinc/00/63/10/501006310.db2.gz UWGYWOQWYARLKP-UHFFFAOYSA-N 1 2 372.447 3.456 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000440626890 501031074 /nfs/dbraw/zinc/03/10/74/501031074.db2.gz SDRGITXOQWBSSL-FCHUYYIVSA-N 1 2 374.488 3.064 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000440996327 501073119 /nfs/dbraw/zinc/07/31/19/501073119.db2.gz GPTCSJCGTSGNMS-UHFFFAOYSA-N 1 2 357.502 3.415 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000588202157 506233185 /nfs/dbraw/zinc/23/31/85/506233185.db2.gz JGEFDPJOPLHWFQ-KRWDZBQOSA-N 1 2 358.239 3.369 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000588202157 506233195 /nfs/dbraw/zinc/23/31/95/506233195.db2.gz JGEFDPJOPLHWFQ-KRWDZBQOSA-N 1 2 358.239 3.369 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)COc2ccccc2C#N)c(C)c1 ZINC000441488710 501147393 /nfs/dbraw/zinc/14/73/93/501147393.db2.gz ITSDHBSKMQIFQV-HXUWFJFHSA-N 1 2 374.444 3.308 20 30 FGEDLO N#Cc1ccc(OCC[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598946759 506239735 /nfs/dbraw/zinc/23/97/35/506239735.db2.gz VDBQJZWGNKYIND-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO N#Cc1ccc(OCC[N@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000598946759 506239749 /nfs/dbraw/zinc/23/97/49/506239749.db2.gz VDBQJZWGNKYIND-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO CCc1nc(C#N)cc(Nc2ccc(N3CCc4sccc4C3)[nH+]c2)n1 ZINC000596071200 506239924 /nfs/dbraw/zinc/23/99/24/506239924.db2.gz LHXBUHXARHDNFK-UHFFFAOYSA-N 1 2 362.462 3.095 20 30 FGEDLO Cc1c(C#N)c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)nc2ccccc12 ZINC000450254470 501219750 /nfs/dbraw/zinc/21/97/50/501219750.db2.gz JAVUXNJWQDFLEL-HNNXBMFYSA-N 1 2 373.460 3.069 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)c1C#N ZINC000451452700 501295798 /nfs/dbraw/zinc/29/57/98/501295798.db2.gz FZMWOKIYKMYOQR-LPHOPBHVSA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1C#N ZINC000451452700 501295799 /nfs/dbraw/zinc/29/57/99/501295799.db2.gz FZMWOKIYKMYOQR-LPHOPBHVSA-N 1 2 372.513 3.266 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCC(C)(C)C#N)c1 ZINC000451467268 501298907 /nfs/dbraw/zinc/29/89/07/501298907.db2.gz YHFADAJJDXKUTQ-OAHLLOKOSA-N 1 2 355.276 3.363 20 30 FGEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000451467268 501298908 /nfs/dbraw/zinc/29/89/08/501298908.db2.gz YHFADAJJDXKUTQ-OAHLLOKOSA-N 1 2 355.276 3.363 20 30 FGEDLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(C)[nH+]1 ZINC000455488898 501316703 /nfs/dbraw/zinc/31/67/03/501316703.db2.gz VBAUXWANMZSULT-UHFFFAOYSA-N 1 2 367.428 3.372 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)CCc1c[nH+]cn1C ZINC000458044812 501362558 /nfs/dbraw/zinc/36/25/58/501362558.db2.gz WUIPJTDVFHOYDN-UHFFFAOYSA-N 1 2 364.243 3.319 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451875914 501390940 /nfs/dbraw/zinc/39/09/40/501390940.db2.gz DSNZTWDTAUFELC-MAUKXSAKSA-N 1 2 353.470 3.098 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451875914 501390941 /nfs/dbraw/zinc/39/09/41/501390941.db2.gz DSNZTWDTAUFELC-MAUKXSAKSA-N 1 2 353.470 3.098 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451960495 501408916 /nfs/dbraw/zinc/40/89/16/501408916.db2.gz BVDWCSNLVOGZJJ-IBGZPJMESA-N 1 2 355.388 3.290 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451960495 501408920 /nfs/dbraw/zinc/40/89/20/501408920.db2.gz BVDWCSNLVOGZJJ-IBGZPJMESA-N 1 2 355.388 3.290 20 30 FGEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000453875811 501419811 /nfs/dbraw/zinc/41/98/11/501419811.db2.gz BVPYMVATJXHURR-UHFFFAOYSA-N 1 2 353.422 3.449 20 30 FGEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452034740 501421489 /nfs/dbraw/zinc/42/14/89/501421489.db2.gz FJTYGGFABSXAAS-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000452034740 501421492 /nfs/dbraw/zinc/42/14/92/501421492.db2.gz FJTYGGFABSXAAS-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000455949030 501423627 /nfs/dbraw/zinc/42/36/27/501423627.db2.gz QHXQJRZRGINWLU-QFBILLFUSA-N 1 2 350.466 3.433 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000456378425 501512684 /nfs/dbraw/zinc/51/26/84/501512684.db2.gz LJTTYSUERYLAJC-MEBBXXQBSA-N 1 2 353.451 3.185 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000456390058 501515023 /nfs/dbraw/zinc/51/50/23/501515023.db2.gz ONKIRYJAWKGMFA-NSHDSACASA-N 1 2 355.467 3.260 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456401703 501518240 /nfs/dbraw/zinc/51/82/40/501518240.db2.gz VZKGDTNIXQIGJL-DYVFJYSZSA-N 1 2 362.389 3.363 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1F ZINC000596108285 506263547 /nfs/dbraw/zinc/26/35/47/506263547.db2.gz IRSQANFNQAGFKL-KRWDZBQOSA-N 1 2 369.444 3.422 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000459312235 501629289 /nfs/dbraw/zinc/62/92/89/501629289.db2.gz YJOAZBDIGJQALM-UHFFFAOYSA-N 1 2 361.405 3.050 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000459312235 501629290 /nfs/dbraw/zinc/62/92/90/501629290.db2.gz YJOAZBDIGJQALM-UHFFFAOYSA-N 1 2 361.405 3.050 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000459351615 501637308 /nfs/dbraw/zinc/63/73/08/501637308.db2.gz WZLNFBRERDYABD-GOSISDBHSA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000459351615 501637310 /nfs/dbraw/zinc/63/73/10/501637310.db2.gz WZLNFBRERDYABD-GOSISDBHSA-N 1 2 351.406 3.300 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459462410 501658570 /nfs/dbraw/zinc/65/85/70/501658570.db2.gz JPSCGUGLPASGTQ-SLEUVZQESA-N 1 2 363.483 3.096 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ncc1C#N ZINC000457382556 501690827 /nfs/dbraw/zinc/69/08/27/501690827.db2.gz JAJXSCHTVNWNHG-UHFFFAOYSA-N 1 2 362.477 3.343 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000457401697 501693385 /nfs/dbraw/zinc/69/33/85/501693385.db2.gz MMUYHQIXZCFKAJ-NHCUHLMSSA-N 1 2 372.509 3.101 20 30 FGEDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ncc1C#N ZINC000457491993 501709703 /nfs/dbraw/zinc/70/97/03/501709703.db2.gz VOZWYHXAIAXZFA-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ncc1C#N ZINC000457491993 501709705 /nfs/dbraw/zinc/70/97/05/501709705.db2.gz VOZWYHXAIAXZFA-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)no1 ZINC000582517968 506268976 /nfs/dbraw/zinc/26/89/76/506268976.db2.gz FVYKYCUYHKDSPF-UHFFFAOYSA-N 1 2 364.371 3.191 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000477722548 501768434 /nfs/dbraw/zinc/76/84/34/501768434.db2.gz ITCPYUIVDVTCRI-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000474423159 501831206 /nfs/dbraw/zinc/83/12/06/501831206.db2.gz XJPSMRHYQRRGFW-MRXNPFEDSA-N 1 2 358.323 3.143 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000485806096 501945719 /nfs/dbraw/zinc/94/57/19/501945719.db2.gz OAEJXWYEGCXWAC-XLIONFOSSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000485806096 501945726 /nfs/dbraw/zinc/94/57/26/501945726.db2.gz OAEJXWYEGCXWAC-XLIONFOSSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)cc2)c1C ZINC000461210931 502041141 /nfs/dbraw/zinc/04/11/41/502041141.db2.gz IDPYODXVAWNVGV-UHFFFAOYSA-N 1 2 366.446 3.470 20 30 FGEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)s1 ZINC000464864951 502128971 /nfs/dbraw/zinc/12/89/71/502128971.db2.gz UOYJWOQSJFPJJA-UHFFFAOYSA-N 1 2 373.453 3.176 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000475346471 502143390 /nfs/dbraw/zinc/14/33/90/502143390.db2.gz OHZOYVUPVWJKGX-IBGZPJMESA-N 1 2 365.868 3.370 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000475350221 502145744 /nfs/dbraw/zinc/14/57/44/502145744.db2.gz CKSQURKRAPLULN-SFHVURJKSA-N 1 2 369.852 3.451 20 30 FGEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000482919712 502215770 /nfs/dbraw/zinc/21/57/70/502215770.db2.gz UTDWPQRTJQXRIA-KRWDZBQOSA-N 1 2 358.486 3.141 20 30 FGEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000482919712 502215777 /nfs/dbraw/zinc/21/57/77/502215777.db2.gz UTDWPQRTJQXRIA-KRWDZBQOSA-N 1 2 358.486 3.141 20 30 FGEDLO N#Cc1ccccc1OCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479383590 502241448 /nfs/dbraw/zinc/24/14/48/502241448.db2.gz MJVLKHHKHRTXSE-UHFFFAOYSA-N 1 2 350.353 3.033 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cccc(Cl)c3F)CC2)c1C#N ZINC000472163097 502254533 /nfs/dbraw/zinc/25/45/33/502254533.db2.gz ZZGGEAYDXHXLJG-CYBMUJFWSA-N 1 2 361.852 3.276 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)on2)c1 ZINC000469174416 502325401 /nfs/dbraw/zinc/32/54/01/502325401.db2.gz WCPBSSHPFRWSOK-UHFFFAOYSA-N 1 2 369.384 3.329 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446305 502422254 /nfs/dbraw/zinc/42/22/54/502422254.db2.gz NCLLTYFECDRLIC-HNNXBMFYSA-N 1 2 361.436 3.452 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C1CCOCC1 ZINC000462467294 502450786 /nfs/dbraw/zinc/45/07/86/502450786.db2.gz ZNLOGFJWPXLKAX-DNVCBOLYSA-N 1 2 366.465 3.162 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N ZINC000480493563 502582626 /nfs/dbraw/zinc/58/26/26/502582626.db2.gz KWRMYLXCTFHJLB-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N ZINC000480493563 502582634 /nfs/dbraw/zinc/58/26/34/502582634.db2.gz KWRMYLXCTFHJLB-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000469883591 502583511 /nfs/dbraw/zinc/58/35/11/502583511.db2.gz JQPPLFQWHQIRRK-ZWKOTPCHSA-N 1 2 359.351 3.151 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000469883591 502583516 /nfs/dbraw/zinc/58/35/16/502583516.db2.gz JQPPLFQWHQIRRK-ZWKOTPCHSA-N 1 2 359.351 3.151 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1Br ZINC000487968841 502585263 /nfs/dbraw/zinc/58/52/63/502585263.db2.gz OEXDXWILGFFSFE-UHFFFAOYSA-N 1 2 370.210 3.290 20 30 FGEDLO Cc1[nH+]c(NCC(C)(C)CCC#N)nc(NCC(C)(C)CCC#N)c1F ZINC000596235900 506323473 /nfs/dbraw/zinc/32/34/73/506323473.db2.gz OGZQXIMUVHYEFK-UHFFFAOYSA-N 1 2 360.481 3.252 20 30 FGEDLO C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)N1CC#N ZINC000602844545 506323677 /nfs/dbraw/zinc/32/36/77/506323677.db2.gz CUXRSRXEYCKDJM-HOTGVXAUSA-N 1 2 365.437 3.324 20 30 FGEDLO Cc1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000488127218 502635297 /nfs/dbraw/zinc/63/52/97/502635297.db2.gz OQXHMVUCCUFTOP-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)ccc1C#N ZINC000488127218 502635305 /nfs/dbraw/zinc/63/53/05/502635305.db2.gz OQXHMVUCCUFTOP-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000488271384 502673959 /nfs/dbraw/zinc/67/39/59/502673959.db2.gz IQTGIYCTFYRUHC-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854355 506327808 /nfs/dbraw/zinc/32/78/08/506327808.db2.gz BLXVWJKXPKHGQS-HZSPNIEDSA-N 1 2 359.861 3.369 20 30 FGEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854355 506327814 /nfs/dbraw/zinc/32/78/14/506327814.db2.gz BLXVWJKXPKHGQS-HZSPNIEDSA-N 1 2 359.861 3.369 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000588753785 506328024 /nfs/dbraw/zinc/32/80/24/506328024.db2.gz UAVLGVNUQJFKHV-UHFFFAOYSA-N 1 2 372.513 3.161 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000488862095 502827672 /nfs/dbraw/zinc/82/76/72/502827672.db2.gz HEZINGQAWNRVNX-SFHVURJKSA-N 1 2 352.438 3.093 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000513054628 502840612 /nfs/dbraw/zinc/84/06/12/502840612.db2.gz PSHQVNSDLPBSKN-UHFFFAOYSA-N 1 2 369.222 3.207 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000513112796 502854652 /nfs/dbraw/zinc/85/46/52/502854652.db2.gz FPDLZCKAMOZJQB-UHFFFAOYSA-N 1 2 362.905 3.497 20 30 FGEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897576 506341112 /nfs/dbraw/zinc/34/11/12/506341112.db2.gz YUSUFCDKCCLDOO-MRXNPFEDSA-N 1 2 373.464 3.171 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513539471 502961852 /nfs/dbraw/zinc/96/18/52/502961852.db2.gz FXSPYPKZOJDUKC-MRXNPFEDSA-N 1 2 360.417 3.152 20 30 FGEDLO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc(C(F)(F)F)c1 ZINC000489456160 502962423 /nfs/dbraw/zinc/96/24/23/502962423.db2.gz HWVKVVKALVPEDZ-INIZCTEOSA-N 1 2 371.322 3.281 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000509951599 503017890 /nfs/dbraw/zinc/01/78/90/503017890.db2.gz ICHUIHJSTBXZLJ-DNVCBOLYSA-N 1 2 350.890 3.259 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000509951599 503017893 /nfs/dbraw/zinc/01/78/93/503017893.db2.gz ICHUIHJSTBXZLJ-DNVCBOLYSA-N 1 2 350.890 3.259 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccccc1F ZINC000505985739 503024802 /nfs/dbraw/zinc/02/48/02/503024802.db2.gz CPSXRYIWLXNADX-LJQANCHMSA-N 1 2 366.371 3.018 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000489860391 503051589 /nfs/dbraw/zinc/05/15/89/503051589.db2.gz CGQSNHAUUSSOHR-RDJZCZTQSA-N 1 2 355.438 3.354 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000489860391 503051594 /nfs/dbraw/zinc/05/15/94/503051594.db2.gz CGQSNHAUUSSOHR-RDJZCZTQSA-N 1 2 355.438 3.354 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000490053802 503099818 /nfs/dbraw/zinc/09/98/18/503099818.db2.gz AKIKJGSLCKRCRY-SECBINFHSA-N 1 2 354.357 3.323 20 30 FGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000510932673 503220180 /nfs/dbraw/zinc/22/01/80/503220180.db2.gz NSDKOJXLVJVVJO-LLVKDONJSA-N 1 2 358.244 3.498 20 30 FGEDLO COc1ccc(F)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000507053157 503220840 /nfs/dbraw/zinc/22/08/40/503220840.db2.gz NZMAMRGGEPJSEE-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO COc1ccc(F)c(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000507053157 503220845 /nfs/dbraw/zinc/22/08/45/503220845.db2.gz NZMAMRGGEPJSEE-UHFFFAOYSA-N 1 2 353.441 3.414 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593050986 506360838 /nfs/dbraw/zinc/36/08/38/506360838.db2.gz RDSKEKUMNDAPRH-OAHLLOKOSA-N 1 2 373.522 3.256 20 30 FGEDLO C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602974593 506370949 /nfs/dbraw/zinc/37/09/49/506370949.db2.gz QMRINQMZOFNEIO-CVEARBPZSA-N 1 2 353.388 3.202 20 30 FGEDLO C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602974593 506370956 /nfs/dbraw/zinc/37/09/56/506370956.db2.gz QMRINQMZOFNEIO-CVEARBPZSA-N 1 2 353.388 3.202 20 30 FGEDLO C=CCNC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)nc1 ZINC000492913444 503393145 /nfs/dbraw/zinc/39/31/45/503393145.db2.gz UAPREXVEEYVLHX-GOSISDBHSA-N 1 2 365.412 3.072 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(-c2cnn(C)c2C)no1 ZINC000512194796 503483151 /nfs/dbraw/zinc/48/31/51/503483151.db2.gz JTKCXXAKXKWETA-UHFFFAOYSA-N 1 2 356.426 3.047 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(-c2cnn(C)c2C)no1 ZINC000512194796 503483154 /nfs/dbraw/zinc/48/31/54/503483154.db2.gz JTKCXXAKXKWETA-UHFFFAOYSA-N 1 2 356.426 3.047 20 30 FGEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000516376391 503503965 /nfs/dbraw/zinc/50/39/65/503503965.db2.gz XSNMPISGWAKSTC-TZMCWYRMSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000516376391 503503968 /nfs/dbraw/zinc/50/39/68/503503968.db2.gz XSNMPISGWAKSTC-TZMCWYRMSA-N 1 2 367.434 3.279 20 30 FGEDLO N#C[C@@H]1N(Cc2c[nH+]cn2Cc2ccccc2)CCC[C@]12CCCCO2 ZINC000516389835 503506126 /nfs/dbraw/zinc/50/61/26/503506126.db2.gz DOXRIPMSNBCZNW-LEWJYISDSA-N 1 2 350.466 3.359 20 30 FGEDLO N#C[C@@H]1N(Cc2c[nH+]cn2Cc2ccccc2)CCC[C@@]12CCCCO2 ZINC000516389838 503506370 /nfs/dbraw/zinc/50/63/70/503506370.db2.gz DOXRIPMSNBCZNW-SFTDATJTSA-N 1 2 350.466 3.359 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954588 503521424 /nfs/dbraw/zinc/52/14/24/503521424.db2.gz MNCOXPXLFFVCFM-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954588 503521425 /nfs/dbraw/zinc/52/14/25/503521425.db2.gz MNCOXPXLFFVCFM-IAQYHMDHSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023203 503535030 /nfs/dbraw/zinc/53/50/30/503535030.db2.gz GVNSZKJQHRIFEE-HOCLYGCPSA-N 1 2 363.889 3.003 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000500023203 503535034 /nfs/dbraw/zinc/53/50/34/503535034.db2.gz GVNSZKJQHRIFEE-HOCLYGCPSA-N 1 2 363.889 3.003 20 30 FGEDLO C=CCn1c(COCC)nnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000508849270 503576641 /nfs/dbraw/zinc/57/66/41/503576641.db2.gz QKKCTSOZGGBQER-UHFFFAOYSA-N 1 2 366.469 3.261 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000516946736 503627001 /nfs/dbraw/zinc/62/70/01/503627001.db2.gz UNZNAGFRSYKIPH-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000516946736 503627009 /nfs/dbraw/zinc/62/70/09/503627009.db2.gz UNZNAGFRSYKIPH-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512817626 503639006 /nfs/dbraw/zinc/63/90/06/503639006.db2.gz MPBNQAUPPLKMQR-UHFFFAOYSA-N 1 2 367.424 3.204 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000536643048 503656113 /nfs/dbraw/zinc/65/61/13/503656113.db2.gz FUOICHNUIOQADB-UHFFFAOYSA-N 1 2 374.404 3.005 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000536643048 503656119 /nfs/dbraw/zinc/65/61/19/503656119.db2.gz FUOICHNUIOQADB-UHFFFAOYSA-N 1 2 374.404 3.005 20 30 FGEDLO Cc1sc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c(C#N)c1C ZINC000517219483 503680848 /nfs/dbraw/zinc/68/08/48/503680848.db2.gz DGJLXGSURCCBBG-UHFFFAOYSA-N 1 2 355.463 3.321 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000533223551 503767206 /nfs/dbraw/zinc/76/72/06/503767206.db2.gz LYLIZLRRJUMTCI-UHFFFAOYSA-N 1 2 363.870 3.360 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000533223551 503767213 /nfs/dbraw/zinc/76/72/13/503767213.db2.gz LYLIZLRRJUMTCI-UHFFFAOYSA-N 1 2 363.870 3.360 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000543543485 503807317 /nfs/dbraw/zinc/80/73/17/503807317.db2.gz UJOQGMWGZIEIFE-CABCVRRESA-N 1 2 372.444 3.424 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000517694869 503808162 /nfs/dbraw/zinc/80/81/62/503808162.db2.gz VAUUFVPBISBZPH-IXDOHACOSA-N 1 2 374.872 3.196 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533388311 503825257 /nfs/dbraw/zinc/82/52/57/503825257.db2.gz SIGVXSWFPSHZQD-IBGZPJMESA-N 1 2 352.482 3.301 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533388311 503825261 /nfs/dbraw/zinc/82/52/61/503825261.db2.gz SIGVXSWFPSHZQD-IBGZPJMESA-N 1 2 352.482 3.301 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533395203 503829119 /nfs/dbraw/zinc/82/91/19/503829119.db2.gz YYRLFBJGIMMZND-LBPRGKRZSA-N 1 2 355.825 3.303 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533395203 503829123 /nfs/dbraw/zinc/82/91/23/503829123.db2.gz YYRLFBJGIMMZND-LBPRGKRZSA-N 1 2 355.825 3.303 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000533537620 503880313 /nfs/dbraw/zinc/88/03/13/503880313.db2.gz SFIHVJWINVAODY-GOSISDBHSA-N 1 2 367.474 3.182 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000533537620 503880317 /nfs/dbraw/zinc/88/03/17/503880317.db2.gz SFIHVJWINVAODY-GOSISDBHSA-N 1 2 367.474 3.182 20 30 FGEDLO C[C@@H](C#N)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543805257 503899331 /nfs/dbraw/zinc/89/93/31/503899331.db2.gz JLIRLPMGONIYIG-SWLSCSKDSA-N 1 2 352.841 3.075 20 30 FGEDLO C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000533716171 503932447 /nfs/dbraw/zinc/93/24/47/503932447.db2.gz DJUDETVLDZYBDX-FPOVZHCZSA-N 1 2 374.525 3.107 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683072 504004031 /nfs/dbraw/zinc/00/40/31/504004031.db2.gz CWSRQJHWIUEJHE-GJZGRUSLSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683072 504004037 /nfs/dbraw/zinc/00/40/37/504004037.db2.gz CWSRQJHWIUEJHE-GJZGRUSLSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)n1cnc(C#N)n1 ZINC000541222506 504048497 /nfs/dbraw/zinc/04/84/97/504048497.db2.gz KSBNLOTVQSJVBW-NSHDSACASA-N 1 2 368.784 3.190 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CCC2 ZINC000544283532 504072256 /nfs/dbraw/zinc/07/22/56/504072256.db2.gz FVDUXYDHZDQGPQ-GOSISDBHSA-N 1 2 363.465 3.315 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541310264 504083799 /nfs/dbraw/zinc/08/37/99/504083799.db2.gz PWEGYUCLJDOTOZ-HZPDHXFCSA-N 1 2 352.841 3.217 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541310264 504083803 /nfs/dbraw/zinc/08/38/03/504083803.db2.gz PWEGYUCLJDOTOZ-HZPDHXFCSA-N 1 2 352.841 3.217 20 30 FGEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530877544 504116967 /nfs/dbraw/zinc/11/69/67/504116967.db2.gz HNCGAKSTEDVLOR-CQSZACIVSA-N 1 2 360.295 3.228 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000531384941 504288989 /nfs/dbraw/zinc/28/89/89/504288989.db2.gz SUINNZKEXCKMLN-IRXDYDNUSA-N 1 2 363.461 3.349 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528736162 504355967 /nfs/dbraw/zinc/35/59/67/504355967.db2.gz RRKSAXFBFDHDGH-HXUWFJFHSA-N 1 2 367.474 3.418 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528736162 504355974 /nfs/dbraw/zinc/35/59/74/504355974.db2.gz RRKSAXFBFDHDGH-HXUWFJFHSA-N 1 2 367.474 3.418 20 30 FGEDLO C=CCOc1ccc(/C=C/c2nc(Cc3c[nH+]cn3C)no2)cc1OC ZINC000545135905 504369723 /nfs/dbraw/zinc/36/97/23/504369723.db2.gz YZLBNACELUQLIG-SOFGYWHQSA-N 1 2 352.394 3.138 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788621 504371782 /nfs/dbraw/zinc/37/17/82/504371782.db2.gz QUWJLGMBPXPLSO-HUUCEWRRSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000538788621 504371789 /nfs/dbraw/zinc/37/17/89/504371789.db2.gz QUWJLGMBPXPLSO-HUUCEWRRSA-N 1 2 351.425 3.321 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(=O)c4sccc4[nH]3)CCOCC2)cc1 ZINC000528779209 504376573 /nfs/dbraw/zinc/37/65/73/504376573.db2.gz SHGQYIGNBCRGBH-UHFFFAOYSA-N 1 2 366.446 3.064 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000528795459 504387404 /nfs/dbraw/zinc/38/74/04/504387404.db2.gz USRZHVJXIXQJFW-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000528795459 504387409 /nfs/dbraw/zinc/38/74/09/504387409.db2.gz USRZHVJXIXQJFW-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO COc1ccc2oc([C@H](C)[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000542585905 504547351 /nfs/dbraw/zinc/54/73/51/504547351.db2.gz KYIVSUSQRKJLTB-DJJJIMSYSA-N 1 2 363.417 3.499 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000520661476 504550997 /nfs/dbraw/zinc/55/09/97/504550997.db2.gz BWDGYLGKYXEHTD-UHFFFAOYSA-N 1 2 350.422 3.093 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000539461806 504580509 /nfs/dbraw/zinc/58/05/09/504580509.db2.gz ZGALJDSDJGVZQZ-DLBZAZTESA-N 1 2 364.559 3.081 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542817294 504623538 /nfs/dbraw/zinc/62/35/38/504623538.db2.gz BHEAYNOAHBODBH-CVEARBPZSA-N 1 2 371.909 3.443 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542817294 504623544 /nfs/dbraw/zinc/62/35/44/504623544.db2.gz BHEAYNOAHBODBH-CVEARBPZSA-N 1 2 371.909 3.443 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000539819557 504700628 /nfs/dbraw/zinc/70/06/28/504700628.db2.gz HOKAKNDDMBUDPD-LMKMVOKYSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000539819557 504700635 /nfs/dbraw/zinc/70/06/35/504700635.db2.gz HOKAKNDDMBUDPD-LMKMVOKYSA-N 1 2 354.475 3.090 20 30 FGEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000539864143 504722003 /nfs/dbraw/zinc/72/20/03/504722003.db2.gz SPQHOYCTURNMSP-HOTGVXAUSA-N 1 2 373.497 3.065 20 30 FGEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000539864143 504722008 /nfs/dbraw/zinc/72/20/08/504722008.db2.gz SPQHOYCTURNMSP-HOTGVXAUSA-N 1 2 373.497 3.065 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccsc3Br)CC2)n1 ZINC000529542925 504722617 /nfs/dbraw/zinc/72/26/17/504722617.db2.gz ODKLSIWYOYQDMK-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO COc1c(C)[nH+]c(C2CC2)nc1N(C)CCOCc1ccc(C#N)cc1 ZINC000565314809 504852192 /nfs/dbraw/zinc/85/21/92/504852192.db2.gz VZCSFAAZJSIVHU-UHFFFAOYSA-N 1 2 352.438 3.196 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1C#N ZINC000562548448 504855444 /nfs/dbraw/zinc/85/54/44/504855444.db2.gz XTPSGBBIMXUDRG-SFHVURJKSA-N 1 2 358.825 3.164 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1C#N ZINC000562548448 504855445 /nfs/dbraw/zinc/85/54/45/504855445.db2.gz XTPSGBBIMXUDRG-SFHVURJKSA-N 1 2 358.825 3.164 20 30 FGEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2)cc1 ZINC000553310147 504879178 /nfs/dbraw/zinc/87/91/78/504879178.db2.gz XRMMTKJBSFIUNH-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(COc4ccc(F)cc4)no3)CC2)c1 ZINC000556510155 504893230 /nfs/dbraw/zinc/89/32/30/504893230.db2.gz JGXCBDKQXBWNSA-UHFFFAOYSA-N 1 2 364.380 3.438 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1OC ZINC000556519517 504895524 /nfs/dbraw/zinc/89/55/24/504895524.db2.gz MBRFOTIXJXXQKN-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556544018 504901199 /nfs/dbraw/zinc/90/11/99/504901199.db2.gz ICBYYORFOINNRZ-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556544018 504901202 /nfs/dbraw/zinc/90/12/02/504901202.db2.gz ICBYYORFOINNRZ-UHFFFAOYSA-N 1 2 351.288 3.232 20 30 FGEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2cccc(OCCCC#N)c2)c1 ZINC000565489757 504902788 /nfs/dbraw/zinc/90/27/88/504902788.db2.gz CGYZMUCTQURVAR-NRFANRHFSA-N 1 2 363.461 3.351 20 30 FGEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2cccc(OCCCC#N)c2)c1 ZINC000565489757 504902791 /nfs/dbraw/zinc/90/27/91/504902791.db2.gz CGYZMUCTQURVAR-NRFANRHFSA-N 1 2 363.461 3.351 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c(F)c1 ZINC000553650972 504974021 /nfs/dbraw/zinc/97/40/21/504974021.db2.gz KPRQHUXYFXDSOG-UHFFFAOYSA-N 1 2 363.396 3.101 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000560337707 505050173 /nfs/dbraw/zinc/05/01/73/505050173.db2.gz CPSYCCUUCBCQAI-AWEZNQCLSA-N 1 2 350.447 3.445 20 30 FGEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000563241207 505085816 /nfs/dbraw/zinc/08/58/16/505085816.db2.gz UZDXNNXGTBBTAS-QZTJIDSGSA-N 1 2 366.465 3.287 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sc2ccccc2c1Br ZINC000566308296 505140821 /nfs/dbraw/zinc/14/08/21/505140821.db2.gz GMGNZOYXFACEEQ-OAHLLOKOSA-N 1 2 366.284 3.237 20 30 FGEDLO Cc1cn2cc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)ccc2[nH+]1 ZINC000557471004 505143762 /nfs/dbraw/zinc/14/37/62/505143762.db2.gz IIWFXZWXVDPURA-HNNXBMFYSA-N 1 2 363.396 3.119 20 30 FGEDLO Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(C[NH+]4CCCC4)c3)nc21 ZINC000554323712 505145056 /nfs/dbraw/zinc/14/50/56/505145056.db2.gz UJIVVKVHXQOUCZ-KRWDZBQOSA-N 1 2 359.433 3.352 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000563972397 505292335 /nfs/dbraw/zinc/29/23/35/505292335.db2.gz UDNGZXFYXBWKJM-MRXNPFEDSA-N 1 2 367.428 3.325 20 30 FGEDLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558082035 505303843 /nfs/dbraw/zinc/30/38/43/505303843.db2.gz SANMRFNAAHLTKF-CQSZACIVSA-N 1 2 359.271 3.434 20 30 FGEDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000558082035 505303845 /nfs/dbraw/zinc/30/38/45/505303845.db2.gz SANMRFNAAHLTKF-CQSZACIVSA-N 1 2 359.271 3.434 20 30 FGEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000554995099 505322767 /nfs/dbraw/zinc/32/27/67/505322767.db2.gz VELPFARNNNDMMI-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc2ccccc21 ZINC000558167376 505324854 /nfs/dbraw/zinc/32/48/54/505324854.db2.gz RIBIUQUPDVDMBD-UHFFFAOYSA-N 1 2 365.458 3.012 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc2ccccc21 ZINC000558167376 505324860 /nfs/dbraw/zinc/32/48/60/505324860.db2.gz RIBIUQUPDVDMBD-UHFFFAOYSA-N 1 2 365.458 3.012 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC000564557290 505451820 /nfs/dbraw/zinc/45/18/20/505451820.db2.gz CJMJIAGXRCEKJS-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1 ZINC000599315004 506409744 /nfs/dbraw/zinc/40/97/44/506409744.db2.gz DABIZQQOPPENPJ-MRXNPFEDSA-N 1 2 352.438 3.100 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)CC2 ZINC000599402978 506443243 /nfs/dbraw/zinc/44/32/43/506443243.db2.gz JACDHQOIBOQMGR-FUHWJXTLSA-N 1 2 350.466 3.433 20 30 FGEDLO COCc1cc(C#N)ccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000603283671 506477084 /nfs/dbraw/zinc/47/70/84/506477084.db2.gz LVSNKRXSQFCWEO-HZPDHXFCSA-N 1 2 366.465 3.325 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000603302635 506480573 /nfs/dbraw/zinc/48/05/73/506480573.db2.gz MJXNNAXHUWHYQU-UHFFFAOYSA-N 1 2 364.449 3.332 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000599624788 506537291 /nfs/dbraw/zinc/53/72/91/506537291.db2.gz YPYCDMBWNPTPRE-HNNXBMFYSA-N 1 2 365.424 3.452 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000599624788 506537298 /nfs/dbraw/zinc/53/72/98/506537298.db2.gz YPYCDMBWNPTPRE-HNNXBMFYSA-N 1 2 365.424 3.452 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649200 506552170 /nfs/dbraw/zinc/55/21/70/506552170.db2.gz YTDIVQGUXKDHIW-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649200 506552173 /nfs/dbraw/zinc/55/21/73/506552173.db2.gz YTDIVQGUXKDHIW-HNNXBMFYSA-N 1 2 367.424 3.225 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000612405565 506566037 /nfs/dbraw/zinc/56/60/37/506566037.db2.gz AHOSHABDIVJEDV-NRFANRHFSA-N 1 2 366.465 3.374 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000612405565 506566044 /nfs/dbraw/zinc/56/60/44/506566044.db2.gz AHOSHABDIVJEDV-NRFANRHFSA-N 1 2 366.465 3.374 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C2 ZINC000599675790 506572112 /nfs/dbraw/zinc/57/21/12/506572112.db2.gz ONNRIWHJZWNZOO-UHFFFAOYSA-N 1 2 367.880 3.123 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C2 ZINC000599675790 506572119 /nfs/dbraw/zinc/57/21/19/506572119.db2.gz ONNRIWHJZWNZOO-UHFFFAOYSA-N 1 2 367.880 3.123 20 30 FGEDLO CSc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599676392 506572480 /nfs/dbraw/zinc/57/24/80/506572480.db2.gz CNTMSMUMTCVNAU-UHFFFAOYSA-N 1 2 351.475 3.471 20 30 FGEDLO CSc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599676392 506572483 /nfs/dbraw/zinc/57/24/83/506572483.db2.gz CNTMSMUMTCVNAU-UHFFFAOYSA-N 1 2 351.475 3.471 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)C2 ZINC000599677404 506572496 /nfs/dbraw/zinc/57/24/96/506572496.db2.gz GXEMQHQVLOUPBK-UHFFFAOYSA-N 1 2 362.355 3.042 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(OCC(F)(F)F)nn1)C2 ZINC000599677404 506572501 /nfs/dbraw/zinc/57/25/01/506572501.db2.gz GXEMQHQVLOUPBK-UHFFFAOYSA-N 1 2 362.355 3.042 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678309 506574010 /nfs/dbraw/zinc/57/40/10/506574010.db2.gz SPLYBDPAQYFBIE-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678309 506574015 /nfs/dbraw/zinc/57/40/15/506574015.db2.gz SPLYBDPAQYFBIE-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn2ccccc12 ZINC000603682786 506594624 /nfs/dbraw/zinc/59/46/24/506594624.db2.gz YPOWWUZZRAQMDC-UHFFFAOYSA-N 1 2 361.405 3.041 20 30 FGEDLO Cc1cc(NCCNC(=O)Nc2ccc(C#N)cc2Cl)nc(C(C)C)[nH+]1 ZINC000599757049 506619770 /nfs/dbraw/zinc/61/97/70/506619770.db2.gz UIGSTKOZOOOUHM-UHFFFAOYSA-N 1 2 372.860 3.089 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000593465359 506635408 /nfs/dbraw/zinc/63/54/08/506635408.db2.gz QRDCSFGIMAEJPU-PXNSSMCTSA-N 1 2 351.454 3.039 20 30 FGEDLO COc1cc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c(F)cc1C#N ZINC000599808925 506649632 /nfs/dbraw/zinc/64/96/32/506649632.db2.gz RZPCNJKBLHKYKH-UHFFFAOYSA-N 1 2 369.400 3.023 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903376 506653586 /nfs/dbraw/zinc/65/35/86/506653586.db2.gz XQMIJCZENULFPP-XJKSGUPXSA-N 1 2 367.453 3.073 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C#N)c1C ZINC000603903376 506653592 /nfs/dbraw/zinc/65/35/92/506653592.db2.gz XQMIJCZENULFPP-XJKSGUPXSA-N 1 2 367.453 3.073 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)CC3(C#N)CCOCC3)n2)CC1 ZINC000596894906 506661398 /nfs/dbraw/zinc/66/13/98/506661398.db2.gz PZASTKXSZYWHMG-UHFFFAOYSA-N 1 2 362.499 3.024 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Br)c1 ZINC000604016198 506687269 /nfs/dbraw/zinc/68/72/69/506687269.db2.gz KOWZXQXRVRQSOB-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccc(Br)c1 ZINC000604016198 506687265 /nfs/dbraw/zinc/68/72/65/506687265.db2.gz KOWZXQXRVRQSOB-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO Cc1c(Br)cncc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000596982742 506712419 /nfs/dbraw/zinc/71/24/19/506712419.db2.gz HXXTUOKPQVTVHW-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596986021 506713744 /nfs/dbraw/zinc/71/37/44/506713744.db2.gz TZUMXHOTFNFFJZ-UHFFFAOYSA-N 1 2 373.460 3.301 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000593740902 506756360 /nfs/dbraw/zinc/75/63/60/506756360.db2.gz VOETZAGENYBNPW-UHFFFAOYSA-N 1 2 352.438 3.450 20 30 FGEDLO Cc1nc2cccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)c2[nH]1 ZINC000593885379 506818757 /nfs/dbraw/zinc/81/87/57/506818757.db2.gz DYVKFBQYTRTRRC-UHFFFAOYSA-N 1 2 373.460 3.137 20 30 FGEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597183538 506820238 /nfs/dbraw/zinc/82/02/38/506820238.db2.gz JUURSYVMQNJYOJ-UHFFFAOYSA-N 1 2 363.490 3.436 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3Cc4cccc(C#N)c4C3)cn2c1 ZINC000593891416 506822229 /nfs/dbraw/zinc/82/22/29/506822229.db2.gz MNNXOMSEOVTDJO-UHFFFAOYSA-N 1 2 362.458 3.290 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609239723 506823461 /nfs/dbraw/zinc/82/34/61/506823461.db2.gz XYLXZJQHYFXTOO-UHFFFAOYSA-N 1 2 354.429 3.413 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000609239723 506823465 /nfs/dbraw/zinc/82/34/65/506823465.db2.gz XYLXZJQHYFXTOO-UHFFFAOYSA-N 1 2 354.429 3.413 20 30 FGEDLO C=CCCn1cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)nn1 ZINC000593974375 506860661 /nfs/dbraw/zinc/86/06/61/506860661.db2.gz AOKZLCGLTYJVAY-NXHRZFHOSA-N 1 2 360.502 3.329 20 30 FGEDLO C=CCCn1cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)nn1 ZINC000593974375 506860667 /nfs/dbraw/zinc/86/06/67/506860667.db2.gz AOKZLCGLTYJVAY-NXHRZFHOSA-N 1 2 360.502 3.329 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000594011801 506881226 /nfs/dbraw/zinc/88/12/26/506881226.db2.gz USCDNASGBQMINH-XLIONFOSSA-N 1 2 365.433 3.055 20 30 FGEDLO Cc1cccc(C)c1-n1nnnc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032525 506896659 /nfs/dbraw/zinc/89/66/59/506896659.db2.gz WADVHIYZMUPKAH-UHFFFAOYSA-N 1 2 358.449 3.320 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034777 506898170 /nfs/dbraw/zinc/89/81/70/506898170.db2.gz HVCRINJJJDVPKS-UHFFFAOYSA-N 1 2 365.361 3.012 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034777 506898175 /nfs/dbraw/zinc/89/81/75/506898175.db2.gz HVCRINJJJDVPKS-UHFFFAOYSA-N 1 2 365.361 3.012 20 30 FGEDLO CCOC(=O)CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000594055254 506911299 /nfs/dbraw/zinc/91/12/99/506911299.db2.gz YFMMOXAUGGNXCU-UHFFFAOYSA-N 1 2 354.454 3.216 20 30 FGEDLO CCOC(=O)CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000594055254 506911306 /nfs/dbraw/zinc/91/13/06/506911306.db2.gz YFMMOXAUGGNXCU-UHFFFAOYSA-N 1 2 354.454 3.216 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000590702318 506917427 /nfs/dbraw/zinc/91/74/27/506917427.db2.gz PJSBJFUXNHJINK-UHFFFAOYSA-N 1 2 364.449 3.287 20 30 FGEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000609564198 506923878 /nfs/dbraw/zinc/92/38/78/506923878.db2.gz SCDGVSRFAAAPOV-LJQANCHMSA-N 1 2 370.884 3.079 20 30 FGEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000609564197 506923955 /nfs/dbraw/zinc/92/39/55/506923955.db2.gz SCDGVSRFAAAPOV-IBGZPJMESA-N 1 2 370.884 3.079 20 30 FGEDLO CC[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609568299 506925476 /nfs/dbraw/zinc/92/54/76/506925476.db2.gz XVDMKNPLUUDVFU-JOCHJYFZSA-N 1 2 361.489 3.471 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4cc(F)ccc4o3)CC2)cc1 ZINC000609792238 507002809 /nfs/dbraw/zinc/00/28/09/507002809.db2.gz RNLUTFYZUMBDFU-UHFFFAOYSA-N 1 2 363.392 3.402 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)CC3(C#N)CCOCC3)ccc2n1C1CC1 ZINC000597630716 507037607 /nfs/dbraw/zinc/03/76/07/507037607.db2.gz DCNVLRHSLUPNMT-UHFFFAOYSA-N 1 2 352.438 3.006 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)c1 ZINC000583899415 507038835 /nfs/dbraw/zinc/03/88/35/507038835.db2.gz OGDYXHCIHLDHSW-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000613442833 507091993 /nfs/dbraw/zinc/09/19/93/507091993.db2.gz NDXDKMJILOJAHF-UHFFFAOYSA-N 1 2 350.422 3.268 20 30 FGEDLO Cc1cccc([C@@H](CNc2c(C#N)nnc3ccccc32)[NH+]2CCOCC2)c1 ZINC000610129241 507108758 /nfs/dbraw/zinc/10/87/58/507108758.db2.gz MODGTHBWSAFEKB-OAQYLSRUSA-N 1 2 373.460 3.295 20 30 FGEDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C#N)c1 ZINC000610349213 507206251 /nfs/dbraw/zinc/20/62/51/507206251.db2.gz YXYGKTIXVLKCEX-AWEZNQCLSA-N 1 2 363.396 3.443 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000600960551 507209046 /nfs/dbraw/zinc/20/90/46/507209046.db2.gz FCZOIKJYZOUJDM-UHFFFAOYSA-N 1 2 363.461 3.028 20 30 FGEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000610363910 507213726 /nfs/dbraw/zinc/21/37/26/507213726.db2.gz IJFRDXGUTDGRMF-ZDUSSCGKSA-N 1 2 361.361 3.143 20 30 FGEDLO C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000610403621 507228526 /nfs/dbraw/zinc/22/85/26/507228526.db2.gz XADPUCADWZCRQE-FZKQIMNGSA-N 1 2 372.419 3.500 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000610462244 507250477 /nfs/dbraw/zinc/25/04/77/507250477.db2.gz ZYDGNTUFWUOBTA-UHFFFAOYSA-N 1 2 373.460 3.455 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610604672 507316911 /nfs/dbraw/zinc/31/69/11/507316911.db2.gz ZWWLWRBHQJAENA-MPPDQPJWSA-N 1 2 373.341 3.102 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000584520924 507391456 /nfs/dbraw/zinc/39/14/56/507391456.db2.gz RDSGGSNPPGKGHW-SFHVURJKSA-N 1 2 365.433 3.049 20 30 FGEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000584520924 507391464 /nfs/dbraw/zinc/39/14/64/507391464.db2.gz RDSGGSNPPGKGHW-SFHVURJKSA-N 1 2 365.433 3.049 20 30 FGEDLO COC(=O)c1ccc2[nH]c(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)nc2c1 ZINC000595296729 507453876 /nfs/dbraw/zinc/45/38/76/507453876.db2.gz HXMLTJDZJUUROW-UHFFFAOYSA-N 1 2 360.417 3.386 20 30 FGEDLO COC(=O)c1ccc2[nH]c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)nc2c1 ZINC000595296729 507453880 /nfs/dbraw/zinc/45/38/80/507453880.db2.gz HXMLTJDZJUUROW-UHFFFAOYSA-N 1 2 360.417 3.386 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cn21 ZINC000592033525 507459921 /nfs/dbraw/zinc/45/99/21/507459921.db2.gz DEOJMQXBXHRUIQ-FQEVSTJZSA-N 1 2 373.460 3.434 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccn1 ZINC000610995168 507470759 /nfs/dbraw/zinc/47/07/59/507470759.db2.gz QMAYWUCKLKZQHY-KRWDZBQOSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccn1 ZINC000610995168 507470764 /nfs/dbraw/zinc/47/07/64/507470764.db2.gz QMAYWUCKLKZQHY-KRWDZBQOSA-N 1 2 360.417 3.094 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccncc2C#N)[C@@H](CC)CN1Cc1ccncc1C#N ZINC000592083894 507476762 /nfs/dbraw/zinc/47/67/62/507476762.db2.gz RSTSTEQADVOPLK-VXKWHMMOSA-N 1 2 374.492 3.095 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H](CC)CN1Cc1ccncc1C#N ZINC000592083894 507476769 /nfs/dbraw/zinc/47/67/69/507476769.db2.gz RSTSTEQADVOPLK-VXKWHMMOSA-N 1 2 374.492 3.095 20 30 FGEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nc(C)n1 ZINC000595463903 507511317 /nfs/dbraw/zinc/51/13/17/507511317.db2.gz CQOWUUQLFZWPQN-IBGZPJMESA-N 1 2 355.873 3.129 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617472 507519607 /nfs/dbraw/zinc/51/96/07/507519607.db2.gz RXUCEJLJAPEGRC-HOCLYGCPSA-N 1 2 372.387 3.259 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617472 507519612 /nfs/dbraw/zinc/51/96/12/507519612.db2.gz RXUCEJLJAPEGRC-HOCLYGCPSA-N 1 2 372.387 3.259 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)nc1 ZINC000595501848 507531795 /nfs/dbraw/zinc/53/17/95/507531795.db2.gz NKRKYPYJZPMOFC-OAHLLOKOSA-N 1 2 363.339 3.347 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3OC(F)F)C2)nc1 ZINC000595501848 507531799 /nfs/dbraw/zinc/53/17/99/507531799.db2.gz NKRKYPYJZPMOFC-OAHLLOKOSA-N 1 2 363.339 3.347 20 30 FGEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1C ZINC000592273934 507584070 /nfs/dbraw/zinc/58/40/70/507584070.db2.gz JAVIKTSYIZKVBV-UHFFFAOYSA-N 1 2 364.877 3.037 20 30 FGEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611260039 507587714 /nfs/dbraw/zinc/58/77/14/507587714.db2.gz ILSHDDJVNXTKTG-CJNGLKHVSA-N 1 2 352.438 3.462 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000611271037 507595063 /nfs/dbraw/zinc/59/50/63/507595063.db2.gz GVILQZDLBYURJP-GOSISDBHSA-N 1 2 361.898 3.124 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000595621082 507597295 /nfs/dbraw/zinc/59/72/95/507597295.db2.gz SRSSKAOKUXQUFS-INIZCTEOSA-N 1 2 363.465 3.314 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000595621082 507597300 /nfs/dbraw/zinc/59/73/00/507597300.db2.gz SRSSKAOKUXQUFS-INIZCTEOSA-N 1 2 363.465 3.314 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C1CC1 ZINC000611324419 507623454 /nfs/dbraw/zinc/62/34/54/507623454.db2.gz DOBMDJQDTHVYOF-UHFFFAOYSA-N 1 2 364.467 3.025 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C1CC1 ZINC000611324419 507623455 /nfs/dbraw/zinc/62/34/55/507623455.db2.gz DOBMDJQDTHVYOF-UHFFFAOYSA-N 1 2 364.467 3.025 20 30 FGEDLO CC(C)C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)n1cc[nH+]c1 ZINC000602192120 507623706 /nfs/dbraw/zinc/62/37/06/507623706.db2.gz WESLPWNIKBNHHV-LJQANCHMSA-N 1 2 366.465 3.164 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc4occc4c3)CC2)cc1 ZINC000595723029 507648247 /nfs/dbraw/zinc/64/82/47/507648247.db2.gz PEDFVVJQRRMGKR-UHFFFAOYSA-N 1 2 374.444 3.332 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)cc1F ZINC000595753674 507668881 /nfs/dbraw/zinc/66/88/81/507668881.db2.gz RACMVEMQFWMVQX-SFHVURJKSA-N 1 2 353.397 3.482 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)cc1F ZINC000595753674 507668888 /nfs/dbraw/zinc/66/88/88/507668888.db2.gz RACMVEMQFWMVQX-SFHVURJKSA-N 1 2 353.397 3.482 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827752 507703812 /nfs/dbraw/zinc/70/38/12/507703812.db2.gz HILMHIOGBYIFFA-UHFFFAOYSA-N 1 2 367.474 3.418 20 30 FGEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000587057111 507705207 /nfs/dbraw/zinc/70/52/07/507705207.db2.gz RRJMATCRZMIDLK-SFHVURJKSA-N 1 2 372.428 3.486 20 30 FGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595838889 507707773 /nfs/dbraw/zinc/70/77/73/507707773.db2.gz ASWYGQPAMIXYNV-TZIWHRDSSA-N 1 2 355.482 3.374 20 30 FGEDLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595838889 507707780 /nfs/dbraw/zinc/70/77/80/507707780.db2.gz ASWYGQPAMIXYNV-TZIWHRDSSA-N 1 2 355.482 3.374 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000611551355 507733858 /nfs/dbraw/zinc/73/38/58/507733858.db2.gz KVOLNMAPFBYWLX-NRFANRHFSA-N 1 2 351.400 3.199 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000611551360 507733920 /nfs/dbraw/zinc/73/39/20/507733920.db2.gz KVOLNMAPFBYWLX-OAQYLSRUSA-N 1 2 351.400 3.199 20 30 FGEDLO C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000479981691 561200607 /nfs/dbraw/zinc/20/06/07/561200607.db2.gz GNLVRLZFTNRIRJ-CVEARBPZSA-N 1 2 367.497 3.005 20 30 FGEDLO Cc1cccc2c(N[C@@H](C)c3ccc(C#N)cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410936 599122462 /nfs/dbraw/zinc/12/24/62/599122462.db2.gz WDZGITRJIZGBSX-ZDUSSCGKSA-N 1 2 355.405 3.190 20 30 FGEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)Cc1ccc(C#N)cc1 ZINC000737409450 599121973 /nfs/dbraw/zinc/12/19/73/599121973.db2.gz OIGMZFDMTSMQNM-UHFFFAOYSA-N 1 2 355.405 3.231 20 30 FGEDLO NC(=[NH+]OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1 ZINC000029464195 695713281 /nfs/dbraw/zinc/71/32/81/695713281.db2.gz RXKIKOKVCMHAKD-UHFFFAOYSA-N 1 2 369.368 3.416 20 30 FGEDLO C=C(C)CNC(=S)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000045879068 695828260 /nfs/dbraw/zinc/82/82/60/695828260.db2.gz SMWAHRSAAVPZAC-UHFFFAOYSA-N 1 2 373.444 3.153 20 30 FGEDLO C=C(Br)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000049283930 695893641 /nfs/dbraw/zinc/89/36/41/695893641.db2.gz KAGQPWAQDVDLPX-UHFFFAOYSA-N 1 2 359.293 3.159 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181547 700226402 /nfs/dbraw/zinc/22/64/02/700226402.db2.gz GUMXGGKZYKHEQO-QJPTWQEYSA-N 1 2 358.326 3.248 20 30 FGEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(C(=O)N(C)C)CC2)c1=S ZINC000124621473 700722486 /nfs/dbraw/zinc/72/24/86/700722486.db2.gz FHZBVSWZQAJVIJ-UHFFFAOYSA-N 1 2 358.511 3.116 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@H]1CCc2ccccc21 ZINC000136584792 704862881 /nfs/dbraw/zinc/86/28/81/704862881.db2.gz VQHRBSKBOMYECL-INIZCTEOSA-N 1 2 354.479 3.223 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@H]1CCc2ccccc21 ZINC000136584792 704862887 /nfs/dbraw/zinc/86/28/87/704862887.db2.gz VQHRBSKBOMYECL-INIZCTEOSA-N 1 2 354.479 3.223 20 30 FGEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000156122697 705102854 /nfs/dbraw/zinc/10/28/54/705102854.db2.gz QAAVQWAOJBLVFI-UHFFFAOYSA-N 1 2 359.794 3.165 20 30 FGEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nnc(-c2cccs2)o1 ZINC000158207557 705177017 /nfs/dbraw/zinc/17/70/17/705177017.db2.gz PGSIKDDHUDNHLB-JTQLQIEISA-N 1 2 356.407 3.131 20 30 FGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000521743316 714145395 /nfs/dbraw/zinc/14/53/95/714145395.db2.gz PCRLJXSCGAYVHN-LBPRGKRZSA-N 1 2 370.234 3.270 20 30 FGEDLO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329226505 713828216 /nfs/dbraw/zinc/82/82/16/713828216.db2.gz ALANJNDFRWNFJU-HUUCEWRRSA-N 1 2 367.852 3.193 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C[C@@H](C)O1 ZINC000329403984 713829302 /nfs/dbraw/zinc/82/93/02/713829302.db2.gz ZWPOPMYPKAAMAW-SQWLQELKSA-N 1 2 366.531 3.420 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C[C@@H](C)O1 ZINC000329403984 713829306 /nfs/dbraw/zinc/82/93/06/713829306.db2.gz ZWPOPMYPKAAMAW-SQWLQELKSA-N 1 2 366.531 3.420 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330082625 713833935 /nfs/dbraw/zinc/83/39/35/713833935.db2.gz KIXBCQPOJWLTHL-HOTGVXAUSA-N 1 2 370.852 3.112 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(O)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330082625 713833941 /nfs/dbraw/zinc/83/39/41/713833941.db2.gz KIXBCQPOJWLTHL-HOTGVXAUSA-N 1 2 370.852 3.112 20 30 FGEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000619138480 714805619 /nfs/dbraw/zinc/80/56/19/714805619.db2.gz KFYRMNVQCOHFRL-TXEJJXNPSA-N 1 2 370.280 3.046 20 30 FGEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000619138480 714805623 /nfs/dbraw/zinc/80/56/23/714805623.db2.gz KFYRMNVQCOHFRL-TXEJJXNPSA-N 1 2 370.280 3.046 20 30 FGEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619569633 714853571 /nfs/dbraw/zinc/85/35/71/714853571.db2.gz GOJIKQFFQJTJIF-UHFFFAOYSA-N 1 2 355.463 3.277 20 30 FGEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619569633 714853573 /nfs/dbraw/zinc/85/35/73/714853573.db2.gz GOJIKQFFQJTJIF-UHFFFAOYSA-N 1 2 355.463 3.277 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3Br)s2)N1 ZINC000779794751 724427392 /nfs/dbraw/zinc/42/73/92/724427392.db2.gz MNIXFDXOVHJNEK-SNVBAGLBSA-N 1 2 363.284 3.449 20 30 FGEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555056 724478899 /nfs/dbraw/zinc/47/88/99/724478899.db2.gz MVBVUMQLAOZIMC-UHFFFAOYSA-N 1 2 351.841 3.450 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)C1=O ZINC000656258383 719383724 /nfs/dbraw/zinc/38/37/24/719383724.db2.gz RBKAMTQULDHRHE-SFHVURJKSA-N 1 2 358.873 3.053 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3Cl)nc2C)C1=O ZINC000656258383 719383726 /nfs/dbraw/zinc/38/37/26/719383726.db2.gz RBKAMTQULDHRHE-SFHVURJKSA-N 1 2 358.873 3.053 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000661151519 720198209 /nfs/dbraw/zinc/19/82/09/720198209.db2.gz CTUJAKBOUVUGLE-LLVKDONJSA-N 1 2 361.243 3.134 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000661151519 720198212 /nfs/dbraw/zinc/19/82/12/720198212.db2.gz CTUJAKBOUVUGLE-LLVKDONJSA-N 1 2 361.243 3.134 20 30 FGEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949515 724711847 /nfs/dbraw/zinc/71/18/47/724711847.db2.gz IQTSPGFLTIAJQU-UHFFFAOYSA-N 1 2 362.227 3.033 20 30 FGEDLO CN(N=Cc1cc(-n2cc[nH+]c2)cs1)C(=S)NCc1ccccc1 ZINC000783804270 724792298 /nfs/dbraw/zinc/79/22/98/724792298.db2.gz MOCSTOHHOVGPQN-UHFFFAOYSA-N 1 2 355.492 3.274 20 30 FGEDLO C[NH+](C)Cc1csc(CNc2ccc(Br)cc2C#N)n1 ZINC000722392066 722420329 /nfs/dbraw/zinc/42/03/29/722420329.db2.gz NEMTXVUJIIHOEE-UHFFFAOYSA-N 1 2 351.273 3.451 20 30 FGEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000725792856 722422791 /nfs/dbraw/zinc/42/27/91/722422791.db2.gz RLXXJTWIKAYYOZ-UHFFFAOYSA-N 1 2 359.495 3.034 20 30 FGEDLO N#Cc1ccc(NC(=S)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000726465692 722434887 /nfs/dbraw/zinc/43/48/87/722434887.db2.gz OKPNKARAPPTLNR-UHFFFAOYSA-N 1 2 359.886 3.274 20 30 FGEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(Br)cc2F)cc1 ZINC000728433111 722451689 /nfs/dbraw/zinc/45/16/89/722451689.db2.gz RYDPMQPEMHHYME-UHFFFAOYSA-N 1 2 366.234 3.463 20 30 FGEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1cccs1 ZINC000729810422 722462708 /nfs/dbraw/zinc/46/27/08/722462708.db2.gz XTDMMSJLHYYVIR-OAHLLOKOSA-N 1 2 353.443 3.234 20 30 FGEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1cccs1 ZINC000729810422 722462709 /nfs/dbraw/zinc/46/27/09/722462709.db2.gz XTDMMSJLHYYVIR-OAHLLOKOSA-N 1 2 353.443 3.234 20 30 FGEDLO O=C1Nc2cccc(Br)c2C1=NNc1cc[nH+]c2ccccc12 ZINC000730147710 722465526 /nfs/dbraw/zinc/46/55/26/722465526.db2.gz ITRKBKMBXNFBJZ-UHFFFAOYSA-N 1 2 367.206 3.188 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000730281791 722466718 /nfs/dbraw/zinc/46/67/18/722466718.db2.gz WLHPCGAOMIREFM-SFHVURJKSA-N 1 2 351.475 3.410 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000730281791 722466719 /nfs/dbraw/zinc/46/67/19/722466719.db2.gz WLHPCGAOMIREFM-SFHVURJKSA-N 1 2 351.475 3.410 20 30 FGEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000731110098 722473433 /nfs/dbraw/zinc/47/34/33/722473433.db2.gz GTFUQDDYPSKNDY-UHFFFAOYSA-N 1 2 355.463 3.110 20 30 FGEDLO C#CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCc2ccccc21 ZINC000736307851 722522683 /nfs/dbraw/zinc/52/26/83/722522683.db2.gz APPHZPXGMXKPMY-KRWDZBQOSA-N 1 2 351.475 3.193 20 30 FGEDLO C#CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCc2ccccc21 ZINC000736307851 722522684 /nfs/dbraw/zinc/52/26/84/722522684.db2.gz APPHZPXGMXKPMY-KRWDZBQOSA-N 1 2 351.475 3.193 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736398777 722523085 /nfs/dbraw/zinc/52/30/85/722523085.db2.gz FTQFYNDGBYHFPR-CQSZACIVSA-N 1 2 360.260 3.495 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736398777 722523086 /nfs/dbraw/zinc/52/30/86/722523086.db2.gz FTQFYNDGBYHFPR-CQSZACIVSA-N 1 2 360.260 3.495 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745088994 722583367 /nfs/dbraw/zinc/58/33/67/722583367.db2.gz ZJXHPUUVIZYARW-INIZCTEOSA-N 1 2 362.495 3.321 20 30 FGEDLO C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745088994 722583368 /nfs/dbraw/zinc/58/33/68/722583368.db2.gz ZJXHPUUVIZYARW-INIZCTEOSA-N 1 2 362.495 3.321 20 30 FGEDLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392119 722727141 /nfs/dbraw/zinc/72/71/41/722727141.db2.gz RHNVELDSRZZQHH-LLVKDONJSA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392119 722727142 /nfs/dbraw/zinc/72/71/42/722727142.db2.gz RHNVELDSRZZQHH-LLVKDONJSA-N 1 2 372.284 3.296 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccc(S(C)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757576858 722977160 /nfs/dbraw/zinc/97/71/60/722977160.db2.gz HJYBLFSGFWUXAL-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1CC(N=Nc2ccc(S(C)(=O)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000757576858 722977161 /nfs/dbraw/zinc/97/71/61/722977161.db2.gz HJYBLFSGFWUXAL-OAHLLOKOSA-N 1 2 357.479 3.152 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)N[NH+]=Cc2ccc(N3CCCC3)nc2)[C@H]1C ZINC000758370945 722988732 /nfs/dbraw/zinc/98/87/32/722988732.db2.gz GUWPHGJFKFXBFA-VYDXJSESSA-N 1 2 359.543 3.305 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1C ZINC000761056554 723117948 /nfs/dbraw/zinc/11/79/48/723117948.db2.gz YBIBGHOTRGLHFW-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1C ZINC000761056554 723117950 /nfs/dbraw/zinc/11/79/50/723117950.db2.gz YBIBGHOTRGLHFW-HNNXBMFYSA-N 1 2 353.388 3.434 20 30 FGEDLO COC(=O)c1ccc(Br)c(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000793113128 723400666 /nfs/dbraw/zinc/40/06/66/723400666.db2.gz JDNFVGMGOTWCNH-UHFFFAOYSA-N 1 2 373.210 3.329 20 30 FGEDLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638945 723537406 /nfs/dbraw/zinc/53/74/06/723537406.db2.gz IMDMUPJFDSODRZ-BBRMVZONSA-N 1 2 357.483 3.066 20 30 FGEDLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638945 723537409 /nfs/dbraw/zinc/53/74/09/723537409.db2.gz IMDMUPJFDSODRZ-BBRMVZONSA-N 1 2 357.483 3.066 20 30 FGEDLO CO[C@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499452 723640322 /nfs/dbraw/zinc/64/03/22/723640322.db2.gz BLYNMKPTJQGNKC-IFXJQAMLSA-N 1 2 357.479 3.364 20 30 FGEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499452 723640323 /nfs/dbraw/zinc/64/03/23/723640323.db2.gz BLYNMKPTJQGNKC-IFXJQAMLSA-N 1 2 357.479 3.364 20 30 FGEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000769112122 723677191 /nfs/dbraw/zinc/67/71/91/723677191.db2.gz YXXXXDASKBFRCR-UHFFFAOYSA-N 1 2 355.507 3.035 20 30 FGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000769610673 723690686 /nfs/dbraw/zinc/69/06/86/723690686.db2.gz SOLGFTQILPFLHW-TWGQIWQCSA-N 1 2 362.357 3.227 20 30 FGEDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2F)C[C@@H](C)O1 ZINC000810131804 725291438 /nfs/dbraw/zinc/29/14/38/725291438.db2.gz PHLARTOWPQDESH-CHWSQXEVSA-N 1 2 360.458 3.057 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000811503537 725370130 /nfs/dbraw/zinc/37/01/30/725370130.db2.gz RWUBGICMQPELHB-SFHVURJKSA-N 1 2 362.499 3.238 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000811503537 725370132 /nfs/dbraw/zinc/37/01/32/725370132.db2.gz RWUBGICMQPELHB-SFHVURJKSA-N 1 2 362.499 3.238 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000814302521 726954927 /nfs/dbraw/zinc/95/49/27/726954927.db2.gz WOFYHSALTSZOGD-NEPJUHHUSA-N 1 2 361.243 3.381 20 30 FGEDLO CC(=[NH+]n1cc(Br)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000814884768 727008544 /nfs/dbraw/zinc/00/85/44/727008544.db2.gz XZBHPUGUGIKVJS-LBPRGKRZSA-N 1 2 357.252 3.269 20 30 FGEDLO O=C(C=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(-c2nn[nH]n2)s1 ZINC000826400201 729408018 /nfs/dbraw/zinc/40/80/18/729408018.db2.gz RWLHZQRAECGXGO-UPHRSURJSA-N 1 2 354.420 3.072 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000829769360 729510516 /nfs/dbraw/zinc/51/05/16/729510516.db2.gz SUVUNRFLTGGSDP-AWEZNQCLSA-N 1 2 362.857 3.175 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000829769360 729510519 /nfs/dbraw/zinc/51/05/19/729510519.db2.gz SUVUNRFLTGGSDP-AWEZNQCLSA-N 1 2 362.857 3.175 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000831690520 729661788 /nfs/dbraw/zinc/66/17/88/729661788.db2.gz AIGBJUJNXXMCEH-UHFFFAOYSA-N 1 2 359.813 3.274 20 30 FGEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)n1cc[nH+]c1 ZINC000845442324 730850397 /nfs/dbraw/zinc/85/03/97/730850397.db2.gz DXOHCCSPMBJTES-QMTHXVAHSA-N 1 2 365.220 3.489 20 30 FGEDLO C=CCCn1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)nn1 ZINC000850178909 731329742 /nfs/dbraw/zinc/32/97/42/731329742.db2.gz NGXOWNNTNGNUFS-OAHLLOKOSA-N 1 2 374.794 3.047 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000853619740 731733199 /nfs/dbraw/zinc/73/31/99/731733199.db2.gz JOGUWLCBNUYYTP-UHFFFAOYSA-N 1 2 356.495 3.210 20 30 FGEDLO C#CCC[N@H+](CCOC)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000853619740 731733203 /nfs/dbraw/zinc/73/32/03/731733203.db2.gz JOGUWLCBNUYYTP-UHFFFAOYSA-N 1 2 356.495 3.210 20 30 FGEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000866954904 733415771 /nfs/dbraw/zinc/41/57/71/733415771.db2.gz MHPBJKGKLDGSFN-GFCCVEGCSA-N 1 2 367.837 3.102 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617253 736694152 /nfs/dbraw/zinc/69/41/52/736694152.db2.gz UJPCVDMQAJNSEO-DOMZBBRYSA-N 1 2 364.877 3.484 20 30 FGEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617253 736694156 /nfs/dbraw/zinc/69/41/56/736694156.db2.gz UJPCVDMQAJNSEO-DOMZBBRYSA-N 1 2 364.877 3.484 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158075 736961977 /nfs/dbraw/zinc/96/19/77/736961977.db2.gz RNNBLLWEEJVFIF-GOSISDBHSA-N 1 2 362.861 3.360 20 30 FGEDLO C#CC1(O)CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000895384433 742404844 /nfs/dbraw/zinc/40/48/44/742404844.db2.gz NWUIZVKNLLOVSC-UHFFFAOYSA-N 1 2 360.198 3.011 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1nc(C[NH+](C)C)cs1 ZINC000895484506 742418020 /nfs/dbraw/zinc/41/80/20/742418020.db2.gz LDAGSOVFJVADCA-UHFFFAOYSA-N 1 2 355.442 3.106 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000895835665 742459624 /nfs/dbraw/zinc/45/96/24/742459624.db2.gz KOEBODKOECJUNI-UHFFFAOYSA-N 1 2 364.287 3.308 20 30 FGEDLO C/C(=C/C(=O)Nc1ccccc1S[C@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900636722 743141470 /nfs/dbraw/zinc/14/14/70/743141470.db2.gz MHSDGVRPTTTYAZ-UGEDRFTOSA-N 1 2 359.495 3.298 20 30 FGEDLO C/C(=C\C(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000900636719 743141572 /nfs/dbraw/zinc/14/15/72/743141572.db2.gz MHSDGVRPTTTYAZ-MDJJKAFGSA-N 1 2 359.495 3.298 20 30 FGEDLO C=CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000904652390 743966397 /nfs/dbraw/zinc/96/63/97/743966397.db2.gz ALBAGEJKDXMXCG-ZDUSSCGKSA-N 1 2 355.847 3.053 20 30 FGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126923 761322247 /nfs/dbraw/zinc/32/22/47/761322247.db2.gz UQHCBFIXFCZFHF-YJBOKZPZSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126923 761322255 /nfs/dbraw/zinc/32/22/55/761322255.db2.gz UQHCBFIXFCZFHF-YJBOKZPZSA-N 1 2 355.463 3.102 20 30 FGEDLO C#Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000933368869 761372486 /nfs/dbraw/zinc/37/24/86/761372486.db2.gz MDZPQUQLSRKUIL-INIZCTEOSA-N 1 2 361.873 3.040 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC000992243928 764592715 /nfs/dbraw/zinc/59/27/15/764592715.db2.gz WYEOAIKAKLVOKK-ASXPNPHWSA-N 1 2 359.297 3.010 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC000992243928 764592720 /nfs/dbraw/zinc/59/27/20/764592720.db2.gz WYEOAIKAKLVOKK-ASXPNPHWSA-N 1 2 359.297 3.010 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008827312 765709106 /nfs/dbraw/zinc/70/91/06/765709106.db2.gz XXOXJWGXHFVMPT-SLFFLAALSA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008827312 765709115 /nfs/dbraw/zinc/70/91/15/765709115.db2.gz XXOXJWGXHFVMPT-SLFFLAALSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027417617 766093341 /nfs/dbraw/zinc/09/33/41/766093341.db2.gz DTCMZXLZFQECPD-LTIDMASMSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027417617 766093346 /nfs/dbraw/zinc/09/33/46/766093346.db2.gz DTCMZXLZFQECPD-LTIDMASMSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC001028142589 766112153 /nfs/dbraw/zinc/11/21/53/766112153.db2.gz PASQKHFUZAJNGN-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001028142589 766112157 /nfs/dbraw/zinc/11/21/57/766112157.db2.gz PASQKHFUZAJNGN-IYOUNJFTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001031088443 766180796 /nfs/dbraw/zinc/18/07/96/766180796.db2.gz WRVPTDBRCGCUIZ-HKUYNNGSSA-N 1 2 356.491 3.183 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033165353 766209577 /nfs/dbraw/zinc/20/95/77/766209577.db2.gz NQJGUVFDPLCSQL-SCTDSRPQSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001033165353 766209581 /nfs/dbraw/zinc/20/95/81/766209581.db2.gz NQJGUVFDPLCSQL-SCTDSRPQSA-N 1 2 362.901 3.474 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033984093 766230789 /nfs/dbraw/zinc/23/07/89/766230789.db2.gz IQDKJRNOTBTSCY-HRCADAONSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033984093 766230793 /nfs/dbraw/zinc/23/07/93/766230793.db2.gz IQDKJRNOTBTSCY-HRCADAONSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046940664 766609252 /nfs/dbraw/zinc/60/92/52/766609252.db2.gz BRGYANCBBHJTPD-QKPAOTATSA-N 1 2 358.860 3.415 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046940664 766609261 /nfs/dbraw/zinc/60/92/61/766609261.db2.gz BRGYANCBBHJTPD-QKPAOTATSA-N 1 2 358.860 3.415 20 30 FGEDLO COc1cc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)ccc1O ZINC000102175493 257349764 /nfs/dbraw/zinc/34/97/64/257349764.db2.gz UCNGRTVRCLVBHC-UHFFFAOYSA-N 1 2 369.421 3.085 20 30 FGEDLO COc1cc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)ccc1O ZINC000102175493 257349766 /nfs/dbraw/zinc/34/97/66/257349766.db2.gz UCNGRTVRCLVBHC-UHFFFAOYSA-N 1 2 369.421 3.085 20 30 FGEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000302115524 257384326 /nfs/dbraw/zinc/38/43/26/257384326.db2.gz RJVRZYNXBCKGDV-HUUCEWRRSA-N 1 2 364.449 3.382 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000570751146 505571923 /nfs/dbraw/zinc/57/19/23/505571923.db2.gz ZGJVBJMWKXCCDF-MRXNPFEDSA-N 1 2 360.417 3.476 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cscc3Br)CC2)n1 ZINC000573620385 505579686 /nfs/dbraw/zinc/57/96/86/505579686.db2.gz VSXUXKLCYDVUBR-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000579640270 505592328 /nfs/dbraw/zinc/59/23/28/505592328.db2.gz RUUHNZPHZMNZQD-INIZCTEOSA-N 1 2 367.449 3.372 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCc2occc2C1 ZINC000579640270 505592330 /nfs/dbraw/zinc/59/23/30/505592330.db2.gz RUUHNZPHZMNZQD-INIZCTEOSA-N 1 2 367.449 3.372 20 30 FGEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000081515123 493907089 /nfs/dbraw/zinc/90/70/89/493907089.db2.gz KHFKUHFEJITGMF-ZDUSSCGKSA-N 1 2 352.276 3.032 20 30 FGEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000081515123 493907092 /nfs/dbraw/zinc/90/70/92/493907092.db2.gz KHFKUHFEJITGMF-ZDUSSCGKSA-N 1 2 352.276 3.032 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571162802 505668926 /nfs/dbraw/zinc/66/89/26/505668926.db2.gz MGSUZDWNXFMHST-WBVHZDCISA-N 1 2 373.819 3.313 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571162802 505668930 /nfs/dbraw/zinc/66/89/30/505668930.db2.gz MGSUZDWNXFMHST-WBVHZDCISA-N 1 2 373.819 3.313 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000574005557 505670773 /nfs/dbraw/zinc/67/07/73/505670773.db2.gz RORQFLLFEOHSEG-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048118607 493787701 /nfs/dbraw/zinc/78/77/01/493787701.db2.gz ZTJDTSJMVFUSMO-UHFFFAOYSA-N 1 2 364.449 3.307 20 30 FGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748746 493799790 /nfs/dbraw/zinc/79/97/90/493799790.db2.gz QCNQMLCVEGJJJS-QGZVFWFLSA-N 1 2 362.458 3.405 20 30 FGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748746 493799793 /nfs/dbraw/zinc/79/97/93/493799793.db2.gz QCNQMLCVEGJJJS-QGZVFWFLSA-N 1 2 362.458 3.405 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1Cl ZINC000075997136 493806816 /nfs/dbraw/zinc/80/68/16/493806816.db2.gz UDHZDVDBFFKFIQ-UHFFFAOYSA-N 1 2 352.785 3.114 20 30 FGEDLO C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(C#N)cc1 ZINC000048486478 493832867 /nfs/dbraw/zinc/83/28/67/493832867.db2.gz JRYJDCYXNUXCDE-LBPRGKRZSA-N 1 2 353.813 3.420 20 30 FGEDLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000048508898 493833793 /nfs/dbraw/zinc/83/37/93/493833793.db2.gz LRKWAEXMCCJNKH-QGZVFWFLSA-N 1 2 373.460 3.406 20 30 FGEDLO Cc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCOCC2)c1 ZINC000031097107 493923903 /nfs/dbraw/zinc/92/39/03/493923903.db2.gz KXONJAKMKFUINN-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000050991200 493941564 /nfs/dbraw/zinc/94/15/64/493941564.db2.gz CIIZJMLSZMERQA-JTQLQIEISA-N 1 2 364.446 3.012 20 30 FGEDLO Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000571262610 505693144 /nfs/dbraw/zinc/69/31/44/505693144.db2.gz YHYNXKZYICANID-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO CCCCCc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000077038036 494012446 /nfs/dbraw/zinc/01/24/46/494012446.db2.gz RDUYHVGEZNQIRF-UHFFFAOYSA-N 1 2 369.509 3.486 20 30 FGEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1OC ZINC000007453293 494023192 /nfs/dbraw/zinc/02/31/92/494023192.db2.gz PCFXPUAGOYDMNX-UHFFFAOYSA-N 1 2 359.451 3.016 20 30 FGEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1OC ZINC000007453293 494023197 /nfs/dbraw/zinc/02/31/97/494023197.db2.gz PCFXPUAGOYDMNX-UHFFFAOYSA-N 1 2 359.451 3.016 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000077318515 494056314 /nfs/dbraw/zinc/05/63/14/494056314.db2.gz FHPOPCDYJOHEFZ-KRWDZBQOSA-N 1 2 369.469 3.030 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000077318515 494056315 /nfs/dbraw/zinc/05/63/15/494056315.db2.gz FHPOPCDYJOHEFZ-KRWDZBQOSA-N 1 2 369.469 3.030 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865655 494069796 /nfs/dbraw/zinc/06/97/96/494069796.db2.gz OFBRYAQQQUAEBZ-KRWDZBQOSA-N 1 2 355.463 3.239 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865655 494069798 /nfs/dbraw/zinc/06/97/98/494069798.db2.gz OFBRYAQQQUAEBZ-KRWDZBQOSA-N 1 2 355.463 3.239 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000063742284 494082205 /nfs/dbraw/zinc/08/22/05/494082205.db2.gz JZQSHNQAVYNADP-UHFFFAOYSA-N 1 2 357.267 3.445 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063742284 494082209 /nfs/dbraw/zinc/08/22/09/494082209.db2.gz JZQSHNQAVYNADP-UHFFFAOYSA-N 1 2 357.267 3.445 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008319229 494084055 /nfs/dbraw/zinc/08/40/55/494084055.db2.gz JZVZDPZVEZOAAT-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000008319229 494084057 /nfs/dbraw/zinc/08/40/57/494084057.db2.gz JZVZDPZVEZOAAT-GOSISDBHSA-N 1 2 363.417 3.105 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)c[nH+]1 ZINC000064742800 494146429 /nfs/dbraw/zinc/14/64/29/494146429.db2.gz HYHKKQMMTPEHSK-UHFFFAOYSA-N 1 2 353.426 3.130 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC2 ZINC000072581454 494209853 /nfs/dbraw/zinc/20/98/53/494209853.db2.gz ZRUDTQZUCPZYPJ-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC2 ZINC000072581454 494209856 /nfs/dbraw/zinc/20/98/56/494209856.db2.gz ZRUDTQZUCPZYPJ-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(OC)cc1 ZINC000054271976 494215007 /nfs/dbraw/zinc/21/50/07/494215007.db2.gz UMMJDNQRURKCDL-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(OC)cc1 ZINC000054271976 494215013 /nfs/dbraw/zinc/21/50/13/494215013.db2.gz UMMJDNQRURKCDL-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3cccc(C#N)c3)cn2c1 ZINC000042399555 494221774 /nfs/dbraw/zinc/22/17/74/494221774.db2.gz YEJFOPUTYUKNPA-UHFFFAOYSA-N 1 2 364.474 3.406 20 30 FGEDLO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000088562412 494249932 /nfs/dbraw/zinc/24/99/32/494249932.db2.gz LOADDDZUXSAAPZ-MRXNPFEDSA-N 1 2 354.479 3.289 20 30 FGEDLO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000088562412 494249936 /nfs/dbraw/zinc/24/99/36/494249936.db2.gz LOADDDZUXSAAPZ-MRXNPFEDSA-N 1 2 354.479 3.289 20 30 FGEDLO Cc1cc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000043329807 494288366 /nfs/dbraw/zinc/28/83/66/494288366.db2.gz BJQIZMUQRRKHLZ-UHFFFAOYSA-N 1 2 364.453 3.134 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000066530913 494351558 /nfs/dbraw/zinc/35/15/58/494351558.db2.gz VOJRGZAXVARYEN-KKSFZXQISA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000066530913 494351562 /nfs/dbraw/zinc/35/15/62/494351562.db2.gz VOJRGZAXVARYEN-KKSFZXQISA-N 1 2 368.456 3.250 20 30 FGEDLO C=CC[N@@H+](CCOc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000066559736 494355221 /nfs/dbraw/zinc/35/52/21/494355221.db2.gz PSQIFNKCKUJTDI-LBPRGKRZSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000066559736 494355222 /nfs/dbraw/zinc/35/52/22/494355222.db2.gz PSQIFNKCKUJTDI-LBPRGKRZSA-N 1 2 364.294 3.047 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000017842989 494418398 /nfs/dbraw/zinc/41/83/98/494418398.db2.gz MAJMZNXVUJJKAO-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)cc1 ZINC000022781269 494535284 /nfs/dbraw/zinc/53/52/84/494535284.db2.gz YVUZDZIIJYTKNE-UHFFFAOYSA-N 1 2 355.869 3.408 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)n(-c2ccc(C)cc2)n1 ZINC000046528235 494536653 /nfs/dbraw/zinc/53/66/53/494536653.db2.gz JXIAOPUVQGOYMU-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)n(-c2ccc(C)cc2)n1 ZINC000046528235 494536657 /nfs/dbraw/zinc/53/66/57/494536657.db2.gz JXIAOPUVQGOYMU-UHFFFAOYSA-N 1 2 373.460 3.431 20 30 FGEDLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000067646110 494593530 /nfs/dbraw/zinc/59/35/30/494593530.db2.gz WKYOOYUVANQXCO-AWEZNQCLSA-N 1 2 363.396 3.443 20 30 FGEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000024590059 494645392 /nfs/dbraw/zinc/64/53/92/494645392.db2.gz JDHNJQXLMCIYKI-MRXNPFEDSA-N 1 2 350.388 3.267 20 30 FGEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126211210 494674910 /nfs/dbraw/zinc/67/49/10/494674910.db2.gz SVBTVCAWPJMQJA-KRWDZBQOSA-N 1 2 358.449 3.022 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121380908 494729815 /nfs/dbraw/zinc/72/98/15/494729815.db2.gz ATPZEORTVMAXLO-AWEZNQCLSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000121380908 494729823 /nfs/dbraw/zinc/72/98/23/494729823.db2.gz ATPZEORTVMAXLO-AWEZNQCLSA-N 1 2 363.483 3.145 20 30 FGEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cnc21 ZINC000121385527 494732425 /nfs/dbraw/zinc/73/24/25/494732425.db2.gz WHVMCKZFKGVOCC-OAQYLSRUSA-N 1 2 374.492 3.395 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121433360 494754845 /nfs/dbraw/zinc/75/48/45/494754845.db2.gz OAAPSLKIUJMEKV-OAQYLSRUSA-N 1 2 352.434 3.193 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121433360 494754854 /nfs/dbraw/zinc/75/48/54/494754854.db2.gz OAAPSLKIUJMEKV-OAQYLSRUSA-N 1 2 352.434 3.193 20 30 FGEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000092033410 494761778 /nfs/dbraw/zinc/76/17/78/494761778.db2.gz DODNBONGGBDPGB-UHFFFAOYSA-N 1 2 361.405 3.491 20 30 FGEDLO N#CCC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000132008316 494797575 /nfs/dbraw/zinc/79/75/75/494797575.db2.gz CJPCAMZSAKNENI-IBGZPJMESA-N 1 2 363.465 3.395 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000092185565 494806167 /nfs/dbraw/zinc/80/61/67/494806167.db2.gz DCYOHVOAXMZVID-UHFFFAOYSA-N 1 2 354.450 3.419 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)cc1 ZINC000075647098 494809505 /nfs/dbraw/zinc/80/95/05/494809505.db2.gz FNRJLGBMSRFJHX-SFHVURJKSA-N 1 2 364.405 3.382 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)cc1 ZINC000075647098 494809512 /nfs/dbraw/zinc/80/95/12/494809512.db2.gz FNRJLGBMSRFJHX-SFHVURJKSA-N 1 2 364.405 3.382 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000026328833 494819044 /nfs/dbraw/zinc/81/90/44/494819044.db2.gz YYWBBRMCQVTVDK-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000026328833 494819046 /nfs/dbraw/zinc/81/90/46/494819046.db2.gz YYWBBRMCQVTVDK-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026346774 494820020 /nfs/dbraw/zinc/82/00/20/494820020.db2.gz SWTKGECYWKKSSK-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026346774 494820026 /nfs/dbraw/zinc/82/00/26/494820026.db2.gz SWTKGECYWKKSSK-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000116601927 494823589 /nfs/dbraw/zinc/82/35/89/494823589.db2.gz CTXODBFEWPDAIK-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO N#CCCN(Cc1c[nH+]c2ccc(Br)cn12)Cc1ccccn1 ZINC000093100350 494826197 /nfs/dbraw/zinc/82/61/97/494826197.db2.gz NWIIBHQUQJPPNE-UHFFFAOYSA-N 1 2 370.254 3.408 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1cccs1 ZINC000027220332 494858165 /nfs/dbraw/zinc/85/81/65/494858165.db2.gz WWKXJVUCIHUYKJ-UHFFFAOYSA-N 1 2 357.479 3.077 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1cccs1 ZINC000027220332 494858168 /nfs/dbraw/zinc/85/81/68/494858168.db2.gz WWKXJVUCIHUYKJ-UHFFFAOYSA-N 1 2 357.479 3.077 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000132350236 494860525 /nfs/dbraw/zinc/86/05/25/494860525.db2.gz ZUNAIABPDPEFBL-HNNXBMFYSA-N 1 2 370.428 3.058 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000126955607 494869080 /nfs/dbraw/zinc/86/90/80/494869080.db2.gz LBPADECHRZUDPB-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574326100 505747365 /nfs/dbraw/zinc/74/73/65/505747365.db2.gz AFNLIBCEAZQAID-ZDUSSCGKSA-N 1 2 358.385 3.058 20 30 FGEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574326100 505747369 /nfs/dbraw/zinc/74/73/69/505747369.db2.gz AFNLIBCEAZQAID-ZDUSSCGKSA-N 1 2 358.385 3.058 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1 ZINC000027775622 494884843 /nfs/dbraw/zinc/88/48/43/494884843.db2.gz SFSQTVHAQURZSB-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1 ZINC000027775622 494884846 /nfs/dbraw/zinc/88/48/46/494884846.db2.gz SFSQTVHAQURZSB-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000027777488 494885426 /nfs/dbraw/zinc/88/54/26/494885426.db2.gz WXUACCSRZVFZHU-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000027777488 494885430 /nfs/dbraw/zinc/88/54/30/494885430.db2.gz WXUACCSRZVFZHU-UHFFFAOYSA-N 1 2 351.406 3.172 20 30 FGEDLO N#Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000132615189 494899512 /nfs/dbraw/zinc/89/95/12/494899512.db2.gz YYODRVGREGOODR-NHCUHLMSSA-N 1 2 371.444 3.483 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(Br)c1 ZINC000122126184 494928101 /nfs/dbraw/zinc/92/81/01/494928101.db2.gz NDTODTBSWXORII-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000117710323 494948156 /nfs/dbraw/zinc/94/81/56/494948156.db2.gz NDSLBQYBCQCUMQ-MRXNPFEDSA-N 1 2 351.406 3.174 20 30 FGEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000127633168 494973121 /nfs/dbraw/zinc/97/31/21/494973121.db2.gz AXTDVNABWCSAIN-HXUWFJFHSA-N 1 2 366.461 3.323 20 30 FGEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000127633168 494973125 /nfs/dbraw/zinc/97/31/25/494973125.db2.gz AXTDVNABWCSAIN-HXUWFJFHSA-N 1 2 366.461 3.323 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000127918794 495017564 /nfs/dbraw/zinc/01/75/64/495017564.db2.gz DCBNKWLWNJFFFJ-UHFFFAOYSA-N 1 2 374.444 3.277 20 30 FGEDLO CCCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OC ZINC000122952065 495058223 /nfs/dbraw/zinc/05/82/23/495058223.db2.gz SHFFFLYLBPMQJL-UHFFFAOYSA-N 1 2 366.465 3.073 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554506 495076591 /nfs/dbraw/zinc/07/65/91/495076591.db2.gz GSPAVHLEYULHAF-INIZCTEOSA-N 1 2 366.440 3.155 20 30 FGEDLO COc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128424684 495094596 /nfs/dbraw/zinc/09/45/96/495094596.db2.gz LNZIRVDRESPCHJ-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128424684 495094599 /nfs/dbraw/zinc/09/45/99/495094599.db2.gz LNZIRVDRESPCHJ-HNNXBMFYSA-N 1 2 358.463 3.034 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000128523792 495110641 /nfs/dbraw/zinc/11/06/41/495110641.db2.gz QERXSLDWISZFKO-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000128523792 495110643 /nfs/dbraw/zinc/11/06/43/495110643.db2.gz QERXSLDWISZFKO-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000103474360 495239399 /nfs/dbraw/zinc/23/93/99/495239399.db2.gz ZVSLJGCHEHKVIC-SFHVURJKSA-N 1 2 367.497 3.194 20 30 FGEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000103474360 495239405 /nfs/dbraw/zinc/23/94/05/495239405.db2.gz ZVSLJGCHEHKVIC-SFHVURJKSA-N 1 2 367.497 3.194 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000104696048 495298029 /nfs/dbraw/zinc/29/80/29/495298029.db2.gz BCTPUWOCWWNDEE-UHFFFAOYSA-N 1 2 374.435 3.365 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000104696048 495298031 /nfs/dbraw/zinc/29/80/31/495298031.db2.gz BCTPUWOCWWNDEE-UHFFFAOYSA-N 1 2 374.435 3.365 20 30 FGEDLO COc1cc(/C=C/C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1OCC#N ZINC000120320125 495351381 /nfs/dbraw/zinc/35/13/81/495351381.db2.gz VHPCOIMRTKZIQJ-BVBGJJFLSA-N 1 2 366.421 3.088 20 30 FGEDLO Cc1nc(C2([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCCCC2)no1 ZINC000138842935 495469013 /nfs/dbraw/zinc/46/90/13/495469013.db2.gz CPMNLVNWZPBKNG-UHFFFAOYSA-N 1 2 367.453 3.074 20 30 FGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000121034433 495508604 /nfs/dbraw/zinc/50/86/04/495508604.db2.gz QTAZETAZFYMTLM-OAHLLOKOSA-N 1 2 361.515 3.224 20 30 FGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000121034433 495508607 /nfs/dbraw/zinc/50/86/07/495508607.db2.gz QTAZETAZFYMTLM-OAHLLOKOSA-N 1 2 361.515 3.224 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)c2ccccc21 ZINC000580560757 505786500 /nfs/dbraw/zinc/78/65/00/505786500.db2.gz WTWBKDNQLDIFHZ-FQEVSTJZSA-N 1 2 351.450 3.239 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)c2ccccc21 ZINC000580560757 505786502 /nfs/dbraw/zinc/78/65/02/505786502.db2.gz WTWBKDNQLDIFHZ-FQEVSTJZSA-N 1 2 351.450 3.239 20 30 FGEDLO N#Cc1ccc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c(F)c1 ZINC000147499385 495575563 /nfs/dbraw/zinc/57/55/63/495575563.db2.gz NUFKVLMFAPQYNW-UHFFFAOYSA-N 1 2 369.831 3.321 20 30 FGEDLO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cn1cc[nH+]c1 ZINC000176391902 495632769 /nfs/dbraw/zinc/63/27/69/495632769.db2.gz KLMRFEUOYOWMJI-KRWDZBQOSA-N 1 2 374.444 3.400 20 30 FGEDLO N#Cc1ccccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000173714559 495659753 /nfs/dbraw/zinc/65/97/53/495659753.db2.gz UDYZZZQJADRYCL-UHFFFAOYSA-N 1 2 358.492 3.341 20 30 FGEDLO C=CCSCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000151247880 495783856 /nfs/dbraw/zinc/78/38/56/495783856.db2.gz MMQFRTVIGSQVDB-QZTJIDSGSA-N 1 2 356.495 3.330 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1F ZINC000176805875 495792147 /nfs/dbraw/zinc/79/21/47/495792147.db2.gz CTAIVKCBYLRVHQ-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1F ZINC000176805875 495792150 /nfs/dbraw/zinc/79/21/50/495792150.db2.gz CTAIVKCBYLRVHQ-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCCn2cc[nH+]c2)cc1 ZINC000159749881 495800042 /nfs/dbraw/zinc/80/00/42/495800042.db2.gz FNMRFUNUPDJTGN-UHFFFAOYSA-N 1 2 373.441 3.246 20 30 FGEDLO N#CCC[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000151423392 495834961 /nfs/dbraw/zinc/83/49/61/495834961.db2.gz FNUXMGMOHLTJGN-RBUKOAKNSA-N 1 2 350.422 3.289 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000180059044 495840415 /nfs/dbraw/zinc/84/04/15/495840415.db2.gz MOZBJSYINRAEPQ-OAHLLOKOSA-N 1 2 361.405 3.485 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cc(C#N)ccc3F)cn2c1 ZINC000174410092 495946648 /nfs/dbraw/zinc/94/66/48/495946648.db2.gz TWFKBGZQYFKHQG-UHFFFAOYSA-N 1 2 368.437 3.203 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000160820160 496048716 /nfs/dbraw/zinc/04/87/16/496048716.db2.gz HUUOBHYPJCBTHY-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000160820160 496048721 /nfs/dbraw/zinc/04/87/21/496048721.db2.gz HUUOBHYPJCBTHY-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c(C#N)c1C ZINC000177480158 496078299 /nfs/dbraw/zinc/07/82/99/496078299.db2.gz DJDVWWSHHOKWIA-UHFFFAOYSA-N 1 2 359.470 3.378 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000161126441 496109165 /nfs/dbraw/zinc/10/91/65/496109165.db2.gz NIOFZVIYFYOTFB-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000152361520 496126966 /nfs/dbraw/zinc/12/69/66/496126966.db2.gz UTHFBIUBZZAOBJ-WOJBJXKFSA-N 1 2 370.884 3.468 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000156051245 496144103 /nfs/dbraw/zinc/14/41/03/496144103.db2.gz KCIIVFJDMBACQW-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000156051245 496144110 /nfs/dbraw/zinc/14/41/10/496144110.db2.gz KCIIVFJDMBACQW-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO C[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000177725711 496173857 /nfs/dbraw/zinc/17/38/57/496173857.db2.gz FZUXIINVQMTOAR-ZBFHGGJFSA-N 1 2 354.458 3.426 20 30 FGEDLO N#CC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCCCC1 ZINC000177727772 496175032 /nfs/dbraw/zinc/17/50/32/496175032.db2.gz ZRXBGXDPJYBXRA-UHFFFAOYSA-N 1 2 352.438 3.294 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000183973194 496183583 /nfs/dbraw/zinc/18/35/83/496183583.db2.gz SWUDVBHXXKTKMH-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO Cc1cc(C(C)C)nc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000186871538 496189324 /nfs/dbraw/zinc/18/93/24/496189324.db2.gz SSJGIDHLMPMDRH-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780755 496192633 /nfs/dbraw/zinc/19/26/33/496192633.db2.gz GRVHHXDJTVVKHA-UHFFFAOYSA-N 1 2 365.393 3.140 20 30 FGEDLO CCCn1c2ccccc2nc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000571858217 505830424 /nfs/dbraw/zinc/83/04/24/505830424.db2.gz QSSQYLRLBQNBBE-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000177966028 496269618 /nfs/dbraw/zinc/26/96/18/496269618.db2.gz MBFCRHKQQTTZMY-UHFFFAOYSA-N 1 2 372.350 3.204 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c(C#N)c1C ZINC000184181180 496275154 /nfs/dbraw/zinc/27/51/54/496275154.db2.gz OUGJIWOGBGVMCS-INIZCTEOSA-N 1 2 359.426 3.303 20 30 FGEDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000156869231 496352457 /nfs/dbraw/zinc/35/24/57/496352457.db2.gz DAISFMPMZRBPEG-NSHDSACASA-N 1 2 373.844 3.110 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187276785 496372865 /nfs/dbraw/zinc/37/28/65/496372865.db2.gz RKUGRXZSHDMIGV-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000187276785 496372870 /nfs/dbraw/zinc/37/28/70/496372870.db2.gz RKUGRXZSHDMIGV-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000178302183 496405655 /nfs/dbraw/zinc/40/56/55/496405655.db2.gz UOKXVPIWDUHVSV-OAHLLOKOSA-N 1 2 371.510 3.468 20 30 FGEDLO CCS[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000178302183 496405661 /nfs/dbraw/zinc/40/56/61/496405661.db2.gz UOKXVPIWDUHVSV-OAHLLOKOSA-N 1 2 371.510 3.468 20 30 FGEDLO N#CCC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccn1 ZINC000178385496 496435928 /nfs/dbraw/zinc/43/59/28/496435928.db2.gz VDGLQTBJBLGEMJ-NRFANRHFSA-N 1 2 362.477 3.381 20 30 FGEDLO N#CCC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccn1 ZINC000178385496 496435931 /nfs/dbraw/zinc/43/59/31/496435931.db2.gz VDGLQTBJBLGEMJ-NRFANRHFSA-N 1 2 362.477 3.381 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153467401 496465349 /nfs/dbraw/zinc/46/53/49/496465349.db2.gz FWSLGOHBGIBMFX-FUHWJXTLSA-N 1 2 354.454 3.241 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000157404706 496470573 /nfs/dbraw/zinc/47/05/73/496470573.db2.gz DFOJFJIHAVEJBJ-UHFFFAOYSA-N 1 2 362.433 3.047 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000178570463 496501945 /nfs/dbraw/zinc/50/19/45/496501945.db2.gz MFYBIKQVILMKEN-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000163413451 496512670 /nfs/dbraw/zinc/51/26/70/496512670.db2.gz PBFQAHVHCKXAPA-UTKZUKDTSA-N 1 2 372.513 3.007 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000163413451 496512675 /nfs/dbraw/zinc/51/26/75/496512675.db2.gz PBFQAHVHCKXAPA-UTKZUKDTSA-N 1 2 372.513 3.007 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187862953 496599321 /nfs/dbraw/zinc/59/93/21/496599321.db2.gz SVLJXVYGPWLONN-FOIQADDNSA-N 1 2 366.452 3.274 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187862953 496599326 /nfs/dbraw/zinc/59/93/26/496599326.db2.gz SVLJXVYGPWLONN-FOIQADDNSA-N 1 2 366.452 3.274 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000158081156 496623030 /nfs/dbraw/zinc/62/30/30/496623030.db2.gz CDYWUZKJKQFZHY-KURKYZTESA-N 1 2 353.384 3.325 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000158081156 496623032 /nfs/dbraw/zinc/62/30/32/496623032.db2.gz CDYWUZKJKQFZHY-KURKYZTESA-N 1 2 353.384 3.325 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000165118215 496648508 /nfs/dbraw/zinc/64/85/08/496648508.db2.gz FEAXTJPCBVYVFK-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185087016 496653795 /nfs/dbraw/zinc/65/37/95/496653795.db2.gz NMEIZIHHLBTDOC-KBXCAEBGSA-N 1 2 357.454 3.245 20 30 FGEDLO CC(=O)c1ccccc1OCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000176151919 496706126 /nfs/dbraw/zinc/70/61/26/496706126.db2.gz QMZGWOZRZNZLNT-NRFANRHFSA-N 1 2 363.461 3.150 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000185224986 496710525 /nfs/dbraw/zinc/71/05/25/496710525.db2.gz SLHVKUMBKZVSBZ-OAHLLOKOSA-N 1 2 373.501 3.453 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185304334 496726310 /nfs/dbraw/zinc/72/63/10/496726310.db2.gz LTPAYQDOWVRZIG-CABCVRRESA-N 1 2 361.436 3.485 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185304334 496726313 /nfs/dbraw/zinc/72/63/13/496726313.db2.gz LTPAYQDOWVRZIG-CABCVRRESA-N 1 2 361.436 3.485 20 30 FGEDLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])cc4C#N)C3)[nH+]c2c1 ZINC000273199211 496738053 /nfs/dbraw/zinc/73/80/53/496738053.db2.gz DVQJOHKBFUZXDR-CYBMUJFWSA-N 1 2 362.393 3.430 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000277397361 496760202 /nfs/dbraw/zinc/76/02/02/496760202.db2.gz GVOHELRDCKDESD-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000277397361 496760209 /nfs/dbraw/zinc/76/02/09/496760209.db2.gz GVOHELRDCKDESD-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000273593679 496848663 /nfs/dbraw/zinc/84/86/63/496848663.db2.gz JQOZNKDZJTVGIK-AWEZNQCLSA-N 1 2 357.483 3.061 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc(OC)c1O ZINC000191744929 496875902 /nfs/dbraw/zinc/87/59/02/496875902.db2.gz ZTQQWPVLVZXQAZ-KRWDZBQOSA-N 1 2 359.495 3.153 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc(OC)c1O ZINC000191744929 496875910 /nfs/dbraw/zinc/87/59/10/496875910.db2.gz ZTQQWPVLVZXQAZ-KRWDZBQOSA-N 1 2 359.495 3.153 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000188948144 496956977 /nfs/dbraw/zinc/95/69/77/496956977.db2.gz NIRNYDMZUUYXPX-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc([C@@H](CNc2cccc(F)c2C#N)[NH+]2CCOCC2)cc1 ZINC000198223406 496966808 /nfs/dbraw/zinc/96/68/08/496966808.db2.gz FLJRXBLHYVFIAQ-HXUWFJFHSA-N 1 2 355.413 3.191 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192072296 496985927 /nfs/dbraw/zinc/98/59/27/496985927.db2.gz PQMRDSOYGHLNHV-IUODEOHRSA-N 1 2 350.260 3.036 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192072296 496985932 /nfs/dbraw/zinc/98/59/32/496985932.db2.gz PQMRDSOYGHLNHV-IUODEOHRSA-N 1 2 350.260 3.036 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248464410 497022245 /nfs/dbraw/zinc/02/22/45/497022245.db2.gz RDLDVDXHJMFUSE-RTBURBONSA-N 1 2 354.381 3.065 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248464410 497022251 /nfs/dbraw/zinc/02/22/51/497022251.db2.gz RDLDVDXHJMFUSE-RTBURBONSA-N 1 2 354.381 3.065 20 30 FGEDLO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269916666 497023629 /nfs/dbraw/zinc/02/36/29/497023629.db2.gz LGVUTMKLHHRHGK-HNNXBMFYSA-N 1 2 366.465 3.001 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 ZINC000270331167 497103899 /nfs/dbraw/zinc/10/38/99/497103899.db2.gz XUMWZHYHTBVSJW-QGZVFWFLSA-N 1 2 363.461 3.280 20 30 FGEDLO N#CCc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000270345215 497106700 /nfs/dbraw/zinc/10/67/00/497106700.db2.gz QIMBUNLHCYXOJU-UHFFFAOYSA-N 1 2 360.417 3.302 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265716015 497166861 /nfs/dbraw/zinc/16/68/61/497166861.db2.gz NBZKIDMNXOOVLV-UHFFFAOYSA-N 1 2 363.421 3.195 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270711705 497185098 /nfs/dbraw/zinc/18/50/98/497185098.db2.gz OPPSPDBOIOGOIC-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270711705 497185102 /nfs/dbraw/zinc/18/51/02/497185102.db2.gz OPPSPDBOIOGOIC-OALUTQOASA-N 1 2 355.388 3.206 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249316335 497191137 /nfs/dbraw/zinc/19/11/37/497191137.db2.gz PQMRDSOYGHLNHV-DOMZBBRYSA-N 1 2 350.260 3.036 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249316335 497191142 /nfs/dbraw/zinc/19/11/42/497191142.db2.gz PQMRDSOYGHLNHV-DOMZBBRYSA-N 1 2 350.260 3.036 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727643 497237504 /nfs/dbraw/zinc/23/75/04/497237504.db2.gz QXEBDAVLGYWYKA-SJLPKXTDSA-N 1 2 369.292 3.084 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727643 497237508 /nfs/dbraw/zinc/23/75/08/497237508.db2.gz QXEBDAVLGYWYKA-SJLPKXTDSA-N 1 2 369.292 3.084 20 30 FGEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332500 497322938 /nfs/dbraw/zinc/32/29/38/497322938.db2.gz MCWDDWGSEFRTEG-GDBMZVCRSA-N 1 2 364.449 3.024 20 30 FGEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332500 497322943 /nfs/dbraw/zinc/32/29/43/497322943.db2.gz MCWDDWGSEFRTEG-GDBMZVCRSA-N 1 2 364.449 3.024 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3c(cc2SC)OCCO3)n1 ZINC000279484005 497452369 /nfs/dbraw/zinc/45/23/69/497452369.db2.gz XFVDHYFTIOGZBO-UHFFFAOYSA-N 1 2 357.479 3.032 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3c(cc2SC)OCCO3)n1 ZINC000279484005 497452372 /nfs/dbraw/zinc/45/23/72/497452372.db2.gz XFVDHYFTIOGZBO-UHFFFAOYSA-N 1 2 357.479 3.032 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(SC(=O)N(C)C)c2)n1 ZINC000279735669 497525703 /nfs/dbraw/zinc/52/57/03/497525703.db2.gz NZAOILJERUTMLU-UHFFFAOYSA-N 1 2 356.495 3.312 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(SC(=O)N(C)C)c2)n1 ZINC000279735669 497525709 /nfs/dbraw/zinc/52/57/09/497525709.db2.gz NZAOILJERUTMLU-UHFFFAOYSA-N 1 2 356.495 3.312 20 30 FGEDLO CN(c1nc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cs1)C1CC1 ZINC000575073986 505914838 /nfs/dbraw/zinc/91/48/38/505914838.db2.gz LYRHFNLYJFHRQH-UHFFFAOYSA-N 1 2 353.495 3.194 20 30 FGEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1[nH+]ccn1CC(F)(F)F)C2 ZINC000280027792 497624073 /nfs/dbraw/zinc/62/40/73/497624073.db2.gz KTKXRTOHYXRISF-YRNVUSSQSA-N 1 2 352.312 3.285 20 30 FGEDLO COCC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Br ZINC000191107490 497711702 /nfs/dbraw/zinc/71/17/02/497711702.db2.gz AONQICPZFJGZEN-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Br ZINC000191107490 497711706 /nfs/dbraw/zinc/71/17/06/497711706.db2.gz AONQICPZFJGZEN-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO C=CCSCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194605615 497717102 /nfs/dbraw/zinc/71/71/02/497717102.db2.gz MFNXMFKIDYJQOM-IYBDPMFKSA-N 1 2 363.527 3.337 20 30 FGEDLO C=CCSCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194605615 497717104 /nfs/dbraw/zinc/71/71/04/497717104.db2.gz MFNXMFKIDYJQOM-IYBDPMFKSA-N 1 2 363.527 3.337 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000268453545 497754599 /nfs/dbraw/zinc/75/45/99/497754599.db2.gz BHIYQZULNIZSBN-LBPRGKRZSA-N 1 2 371.466 3.245 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000268453545 497754602 /nfs/dbraw/zinc/75/46/02/497754602.db2.gz BHIYQZULNIZSBN-LBPRGKRZSA-N 1 2 371.466 3.245 20 30 FGEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329544571 497825494 /nfs/dbraw/zinc/82/54/94/497825494.db2.gz GCUOQNLJDHKFLM-OCCSQVGLSA-N 1 2 360.845 3.338 20 30 FGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000329544571 497825498 /nfs/dbraw/zinc/82/54/98/497825498.db2.gz GCUOQNLJDHKFLM-OCCSQVGLSA-N 1 2 360.845 3.338 20 30 FGEDLO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329573498 497832884 /nfs/dbraw/zinc/83/28/84/497832884.db2.gz VDTPOIGHFOEAPJ-OAHLLOKOSA-N 1 2 356.474 3.301 20 30 FGEDLO Cn1ccnc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000329573498 497832890 /nfs/dbraw/zinc/83/28/90/497832890.db2.gz VDTPOIGHFOEAPJ-OAHLLOKOSA-N 1 2 356.474 3.301 20 30 FGEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000575162661 505934029 /nfs/dbraw/zinc/93/40/29/505934029.db2.gz FQZUWRFDROSWKT-UHFFFAOYSA-N 1 2 372.476 3.160 20 30 FGEDLO Cc1ccccc1-n1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000575162661 505934033 /nfs/dbraw/zinc/93/40/33/505934033.db2.gz FQZUWRFDROSWKT-UHFFFAOYSA-N 1 2 372.476 3.160 20 30 FGEDLO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295891103 497843974 /nfs/dbraw/zinc/84/39/74/497843974.db2.gz FZEOETAVUWYZKW-WMZOPIPTSA-N 1 2 371.485 3.009 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000329611792 497846102 /nfs/dbraw/zinc/84/61/02/497846102.db2.gz JWKOUUILYNZXCH-IPMKNSEASA-N 1 2 368.481 3.493 20 30 FGEDLO CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C12CCOCC2 ZINC000329904780 497947226 /nfs/dbraw/zinc/94/72/26/497947226.db2.gz JHBIIMQOPWFRCN-RTBURBONSA-N 1 2 369.465 3.460 20 30 FGEDLO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[C@@H](C2CC2)O1 ZINC000329913687 497950662 /nfs/dbraw/zinc/95/06/62/497950662.db2.gz OTELDJKVULABNN-APWZRJJASA-N 1 2 372.513 3.375 20 30 FGEDLO Cc1ccccc1-c1noc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000301116773 497957916 /nfs/dbraw/zinc/95/79/16/497957916.db2.gz YGUGGUFDZOFGQW-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000301134801 497966014 /nfs/dbraw/zinc/96/60/14/497966014.db2.gz YGRYQQNQHVDZEV-UHFFFAOYSA-N 1 2 368.444 3.076 20 30 FGEDLO CCN1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329962969 497972074 /nfs/dbraw/zinc/97/20/74/497972074.db2.gz TTWFQEYUZJHOMM-MOPGFXCFSA-N 1 2 367.497 3.122 20 30 FGEDLO CCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000329993572 497984281 /nfs/dbraw/zinc/98/42/81/497984281.db2.gz LMUUVYMEYLDWIW-SJORKVTESA-N 1 2 373.888 3.343 20 30 FGEDLO CC(C)c1nc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc[nH+]1 ZINC000301244854 498017149 /nfs/dbraw/zinc/01/71/49/498017149.db2.gz NOPJFPWGNXAACR-UHFFFAOYSA-N 1 2 361.453 3.284 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000330098876 498020240 /nfs/dbraw/zinc/02/02/40/498020240.db2.gz CINDGRKRKOUVJR-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000330098876 498020251 /nfs/dbraw/zinc/02/02/51/498020251.db2.gz CINDGRKRKOUVJR-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccc(C2CC2)nn1 ZINC000330108782 498024260 /nfs/dbraw/zinc/02/42/60/498024260.db2.gz OCJMNUJHWWBIAA-UHFFFAOYSA-N 1 2 366.469 3.077 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132242 498032714 /nfs/dbraw/zinc/03/27/14/498032714.db2.gz QGHBKEAERIGGAJ-VWKPWSFCSA-N 1 2 369.465 3.481 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330132242 498032719 /nfs/dbraw/zinc/03/27/19/498032719.db2.gz QGHBKEAERIGGAJ-VWKPWSFCSA-N 1 2 369.465 3.481 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCOC3(CCCC3)C1)C2 ZINC000330132657 498032887 /nfs/dbraw/zinc/03/28/87/498032887.db2.gz LOWNEVXJQWUDNQ-HNNXBMFYSA-N 1 2 360.502 3.054 20 30 FGEDLO N#Cc1cc(Br)cnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000296500869 498069117 /nfs/dbraw/zinc/06/91/17/498069117.db2.gz LMYGFMBAZQDWGW-UHFFFAOYSA-N 1 2 358.243 3.323 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000581372936 505973670 /nfs/dbraw/zinc/97/36/70/505973670.db2.gz DFWPUXHWOHIPES-QGZVFWFLSA-N 1 2 360.255 3.176 20 30 FGEDLO N#Cc1cc(F)ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000301369307 498077866 /nfs/dbraw/zinc/07/78/66/498077866.db2.gz OVKBXPAJFVFLKR-UHFFFAOYSA-N 1 2 355.413 3.020 20 30 FGEDLO Cc1ccc([C@@H](CNc2c(C#N)cnc3ccccc32)[NH+]2CCOCC2)o1 ZINC000301378877 498083247 /nfs/dbraw/zinc/08/32/47/498083247.db2.gz ZBQJINCMSNQJPT-LJQANCHMSA-N 1 2 362.433 3.493 20 30 FGEDLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330280740 498092843 /nfs/dbraw/zinc/09/28/43/498092843.db2.gz SXPMDUITMMNYBN-PBHICJAKSA-N 1 2 358.442 3.193 20 30 FGEDLO CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)[nH]1 ZINC000330299961 498097630 /nfs/dbraw/zinc/09/76/30/498097630.db2.gz IGRNHHHYBHZSEX-UHFFFAOYSA-N 1 2 362.865 3.477 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330327130 498105480 /nfs/dbraw/zinc/10/54/80/498105480.db2.gz KRBOQYQIPDUZIA-AWEZNQCLSA-N 1 2 351.813 3.127 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330361016 498118841 /nfs/dbraw/zinc/11/88/41/498118841.db2.gz XVCZTIVRYXIWQR-QGZVFWFLSA-N 1 2 370.457 3.250 20 30 FGEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000292800962 498151879 /nfs/dbraw/zinc/15/18/79/498151879.db2.gz YNCPZADJDICOKD-CALCHBBNSA-N 1 2 356.470 3.229 20 30 FGEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000292800962 498151883 /nfs/dbraw/zinc/15/18/83/498151883.db2.gz YNCPZADJDICOKD-CALCHBBNSA-N 1 2 356.470 3.229 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000285764789 498194045 /nfs/dbraw/zinc/19/40/45/498194045.db2.gz SWRUOYPHDIELKZ-RDTXWAMCSA-N 1 2 354.429 3.281 20 30 FGEDLO Cc1cc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)ccc1Br ZINC000330785217 498194297 /nfs/dbraw/zinc/19/42/97/498194297.db2.gz SZVOYLRHOUROJX-UHFFFAOYSA-N 1 2 350.260 3.322 20 30 FGEDLO CCn1c(C)nnc1C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364931085 498215927 /nfs/dbraw/zinc/21/59/27/498215927.db2.gz ATFHJGAMYBRMRQ-LBPRGKRZSA-N 1 2 352.467 3.452 20 30 FGEDLO N#Cc1ccc(N2CCC(Nc3cc(CSCCO)cc[nH+]3)CC2)cc1 ZINC000286042547 498275725 /nfs/dbraw/zinc/27/57/25/498275725.db2.gz JUNJKHMLPKSPJX-UHFFFAOYSA-N 1 2 368.506 3.260 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331311009 498298022 /nfs/dbraw/zinc/29/80/22/498298022.db2.gz VCTGLFLDUPDFQS-VIFPVBQESA-N 1 2 350.221 3.179 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1C ZINC000331335004 498303369 /nfs/dbraw/zinc/30/33/69/498303369.db2.gz UJTDNZFDVFQTJS-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1C ZINC000331335004 498303375 /nfs/dbraw/zinc/30/33/75/498303375.db2.gz UJTDNZFDVFQTJS-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289855739 498325125 /nfs/dbraw/zinc/32/51/25/498325125.db2.gz KWWXZXBDBSIJFC-QAPCUYQASA-N 1 2 371.872 3.119 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289855739 498325132 /nfs/dbraw/zinc/32/51/32/498325132.db2.gz KWWXZXBDBSIJFC-QAPCUYQASA-N 1 2 371.872 3.119 20 30 FGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000578787321 506020438 /nfs/dbraw/zinc/02/04/38/506020438.db2.gz KZPSDIOEZCIMFR-VXGBXAGGSA-N 1 2 359.417 3.482 20 30 FGEDLO CCc1cc(N)nc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)[nH+]1 ZINC000569820398 506024736 /nfs/dbraw/zinc/02/47/36/506024736.db2.gz IJWZZJUZADTNBC-UHFFFAOYSA-N 1 2 369.494 3.107 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000302226439 498451884 /nfs/dbraw/zinc/45/18/84/498451884.db2.gz WCRQWJZYORZLBA-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000302232351 498454233 /nfs/dbraw/zinc/45/42/33/498454233.db2.gz ZCQUJPHKZVXVNC-OKILXGFUSA-N 1 2 367.409 3.087 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000575954881 506041029 /nfs/dbraw/zinc/04/10/29/506041029.db2.gz JGEGMWPZUDUYPS-RDTXWAMCSA-N 1 2 371.437 3.236 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000575954881 506041033 /nfs/dbraw/zinc/04/10/33/506041033.db2.gz JGEGMWPZUDUYPS-RDTXWAMCSA-N 1 2 371.437 3.236 20 30 FGEDLO Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(-c2ccncc2)[nH+]1 ZINC000362306547 498493300 /nfs/dbraw/zinc/49/33/00/498493300.db2.gz PPISNGUERNLSDW-UHFFFAOYSA-N 1 2 367.416 3.143 20 30 FGEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cc3c(C)nn(C)c3s2)c[nH+]1 ZINC000286945856 498563060 /nfs/dbraw/zinc/56/30/60/498563060.db2.gz AHATWSOWLBZUJM-FNORWQNLSA-N 1 2 370.478 3.317 20 30 FGEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576024074 506058996 /nfs/dbraw/zinc/05/89/96/506058996.db2.gz LKZUYICDYNBAFF-HXUWFJFHSA-N 1 2 352.434 3.311 20 30 FGEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576024074 506058998 /nfs/dbraw/zinc/05/89/98/506058998.db2.gz LKZUYICDYNBAFF-HXUWFJFHSA-N 1 2 352.434 3.311 20 30 FGEDLO Cc1nc(CSc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)cs1 ZINC000576111883 506079901 /nfs/dbraw/zinc/07/99/01/506079901.db2.gz NXTBOMCNBHNLEY-GOSISDBHSA-N 1 2 374.535 3.318 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000366106751 498778678 /nfs/dbraw/zinc/77/86/78/498778678.db2.gz FKDPTQFJIXMINS-FUHWJXTLSA-N 1 2 370.522 3.152 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000366106751 498778684 /nfs/dbraw/zinc/77/86/84/498778684.db2.gz FKDPTQFJIXMINS-FUHWJXTLSA-N 1 2 370.522 3.152 20 30 FGEDLO Cc1cc(C)c(C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F)c(C)c1 ZINC000576163952 506091890 /nfs/dbraw/zinc/09/18/90/506091890.db2.gz HAZIPGHHOIFPQS-WMZOPIPTSA-N 1 2 369.431 3.293 20 30 FGEDLO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328601473 498871756 /nfs/dbraw/zinc/87/17/56/498871756.db2.gz FNQHRDJUKVFJTQ-LSDHHAIUSA-N 1 2 361.490 3.142 20 30 FGEDLO CC[N@H+](CCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298772712 498874770 /nfs/dbraw/zinc/87/47/70/498874770.db2.gz PJJZNHNKPGSXNO-GOSISDBHSA-N 1 2 374.444 3.076 20 30 FGEDLO CC[N@@H+](CCc1ccccc1)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298772712 498874774 /nfs/dbraw/zinc/87/47/74/498874774.db2.gz PJJZNHNKPGSXNO-GOSISDBHSA-N 1 2 374.444 3.076 20 30 FGEDLO COc1ccc([C@H](NC(=O)N2CCCC23CCC3)c2[nH+]ccn2C)cc1 ZINC000328614727 498876217 /nfs/dbraw/zinc/87/62/17/498876217.db2.gz RGQWOGRBUHIXOV-KRWDZBQOSA-N 1 2 354.454 3.451 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CCC2 ZINC000328643759 498887008 /nfs/dbraw/zinc/88/70/08/498887008.db2.gz AKNAJZUZJZAVKN-GJZGRUSLSA-N 1 2 372.494 3.392 20 30 FGEDLO Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c[nH+]1 ZINC000328790732 498940336 /nfs/dbraw/zinc/94/03/36/498940336.db2.gz QMPDMGVQYGOVBV-SNVBAGLBSA-N 1 2 373.766 3.369 20 30 FGEDLO C[C@@]1(CO)CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328825039 498951495 /nfs/dbraw/zinc/95/14/95/498951495.db2.gz RRNNLVATXYBADF-NQIIRXRSSA-N 1 2 366.465 3.288 20 30 FGEDLO O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947430 498995500 /nfs/dbraw/zinc/99/55/00/498995500.db2.gz VTINWTNUGFSNOZ-YVEFUNNKSA-N 1 2 351.410 3.462 20 30 FGEDLO O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947430 498995506 /nfs/dbraw/zinc/99/55/06/498995506.db2.gz VTINWTNUGFSNOZ-YVEFUNNKSA-N 1 2 351.410 3.462 20 30 FGEDLO N#CCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618010 499006000 /nfs/dbraw/zinc/00/60/00/499006000.db2.gz MWUDXAGSBQEDOV-MSOLQXFVSA-N 1 2 374.435 3.236 20 30 FGEDLO N#CCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000366618010 499006007 /nfs/dbraw/zinc/00/60/07/499006007.db2.gz MWUDXAGSBQEDOV-MSOLQXFVSA-N 1 2 374.435 3.236 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)CC1CCCC1)CCCC2 ZINC000329018215 499015712 /nfs/dbraw/zinc/01/57/12/499015712.db2.gz KVNQKYSNNQVTLD-SFHVURJKSA-N 1 2 372.513 3.499 20 30 FGEDLO COc1ccc2c(c1)CCN2C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329227039 499078391 /nfs/dbraw/zinc/07/83/91/499078391.db2.gz HWDUMVXRYPEWMJ-OAHLLOKOSA-N 1 2 368.481 3.481 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccc3c(c1)OCO3)C2 ZINC000329249499 499083881 /nfs/dbraw/zinc/08/38/81/499083881.db2.gz ASWKDRJBAJDQPW-CQSZACIVSA-N 1 2 355.438 3.423 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC000329251811 499083925 /nfs/dbraw/zinc/08/39/25/499083925.db2.gz BPZHOMFVJJQJIR-ZDUSSCGKSA-N 1 2 368.437 3.481 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886727 499106377 /nfs/dbraw/zinc/10/63/77/499106377.db2.gz RRCMKOXXWVQNPD-NVXWUHKLSA-N 1 2 354.454 3.133 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886727 499106381 /nfs/dbraw/zinc/10/63/81/499106381.db2.gz RRCMKOXXWVQNPD-NVXWUHKLSA-N 1 2 354.454 3.133 20 30 FGEDLO O=C(Nc1cnc2c(c1)CCCC2)c1ccccc1C[NH+]1CCOCC1 ZINC000329444802 499122178 /nfs/dbraw/zinc/12/21/78/499122178.db2.gz KUYXKIXHJZPGPB-UHFFFAOYSA-N 1 2 351.450 3.429 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)o2)c1 ZINC000329457528 499124391 /nfs/dbraw/zinc/12/43/91/499124391.db2.gz QOALIHIRPZFXSL-GOSISDBHSA-N 1 2 352.438 3.389 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)o2)c1 ZINC000329457528 499124393 /nfs/dbraw/zinc/12/43/93/499124393.db2.gz QOALIHIRPZFXSL-GOSISDBHSA-N 1 2 352.438 3.389 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329487412 499127804 /nfs/dbraw/zinc/12/78/04/499127804.db2.gz XSZPSSJBPXOFJD-UHFFFAOYSA-N 1 2 365.861 3.305 20 30 FGEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329487412 499127805 /nfs/dbraw/zinc/12/78/05/499127805.db2.gz XSZPSSJBPXOFJD-UHFFFAOYSA-N 1 2 365.861 3.305 20 30 FGEDLO CC(C)(C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000366997309 499131929 /nfs/dbraw/zinc/13/19/29/499131929.db2.gz RBBAOLGRVKJCOP-UHFFFAOYSA-N 1 2 366.440 3.155 20 30 FGEDLO Cc1ccc(N2CC[C@@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)cc1 ZINC000367057578 499141333 /nfs/dbraw/zinc/14/13/33/499141333.db2.gz KWKNZSCJSLIBEH-LJQANCHMSA-N 1 2 360.461 3.053 20 30 FGEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(F)cc2)no1 ZINC000370114553 499182401 /nfs/dbraw/zinc/18/24/01/499182401.db2.gz YRCMXPQUMCMJCN-GFCCVEGCSA-N 1 2 362.368 3.246 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000370236344 499200797 /nfs/dbraw/zinc/20/07/97/499200797.db2.gz ODTODGOKFHQWHN-HXUWFJFHSA-N 1 2 364.445 3.064 20 30 FGEDLO CCc1nccc([C@@H]2CCC[N@@H+]([C@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237183 499200801 /nfs/dbraw/zinc/20/08/01/499200801.db2.gz UIZPIOXOCJQHGZ-XLIONFOSSA-N 1 2 364.449 3.004 20 30 FGEDLO CCc1nccc([C@@H]2CCC[N@H+]([C@H](C(=O)OC)c3cccc(C#N)c3)C2)n1 ZINC000370237183 499200803 /nfs/dbraw/zinc/20/08/03/499200803.db2.gz UIZPIOXOCJQHGZ-XLIONFOSSA-N 1 2 364.449 3.004 20 30 FGEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370309488 499207947 /nfs/dbraw/zinc/20/79/47/499207947.db2.gz SQJFCEGVYOYBFE-KRWDZBQOSA-N 1 2 358.449 3.281 20 30 FGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)C1CCCC1 ZINC000370362830 499213078 /nfs/dbraw/zinc/21/30/78/499213078.db2.gz DIYSIJXKKVOOGI-GOSISDBHSA-N 1 2 354.429 3.236 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1C ZINC000367931205 499247015 /nfs/dbraw/zinc/24/70/15/499247015.db2.gz MWHLBYBGAXPKHJ-GOSISDBHSA-N 1 2 351.454 3.110 20 30 FGEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000368049390 499259561 /nfs/dbraw/zinc/25/95/61/499259561.db2.gz VEMDWSATJNHSON-GOSISDBHSA-N 1 2 368.437 3.226 20 30 FGEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000368049390 499259562 /nfs/dbraw/zinc/25/95/62/499259562.db2.gz VEMDWSATJNHSON-GOSISDBHSA-N 1 2 368.437 3.226 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](Cc2csc(CC)n2)CC1)OCC ZINC000371054979 499284345 /nfs/dbraw/zinc/28/43/45/499284345.db2.gz POSWCDANGQUTFG-QGZVFWFLSA-N 1 2 365.543 3.111 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](Cc2csc(CC)n2)CC1)OCC ZINC000371054979 499284346 /nfs/dbraw/zinc/28/43/46/499284346.db2.gz POSWCDANGQUTFG-QGZVFWFLSA-N 1 2 365.543 3.111 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc1OC ZINC000371464296 499330549 /nfs/dbraw/zinc/33/05/49/499330549.db2.gz QOSKIACIJISDGH-SYJIQKIWSA-N 1 2 367.449 3.370 20 30 FGEDLO CCN(C(=O)c1ccc(C)c(C#N)c1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000369206119 499377073 /nfs/dbraw/zinc/37/70/73/499377073.db2.gz ULQHEHNQHOVPKA-IBGZPJMESA-N 1 2 359.433 3.247 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000369208255 499377390 /nfs/dbraw/zinc/37/73/90/499377390.db2.gz WHFQADZRCFIBKM-UHFFFAOYSA-N 1 2 354.498 3.168 20 30 FGEDLO COc1ccc2c(c1)[C@H](C)C[N@@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000372403447 499429870 /nfs/dbraw/zinc/42/98/70/499429870.db2.gz CXZXYIQGMDLVOY-CYBMUJFWSA-N 1 2 355.463 3.229 20 30 FGEDLO COc1ccc2c(c1)[C@H](C)C[N@H+](CC(=O)Nc1sccc1C#N)CC2 ZINC000372403447 499429872 /nfs/dbraw/zinc/42/98/72/499429872.db2.gz CXZXYIQGMDLVOY-CYBMUJFWSA-N 1 2 355.463 3.229 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2OC)sc1C ZINC000373506769 499473873 /nfs/dbraw/zinc/47/38/73/499473873.db2.gz FWLZWEQQLCKUFT-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)sc1C ZINC000373506769 499473874 /nfs/dbraw/zinc/47/38/74/499473874.db2.gz FWLZWEQQLCKUFT-OAHLLOKOSA-N 1 2 371.462 3.456 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378482493 499522577 /nfs/dbraw/zinc/52/25/77/499522577.db2.gz MKCDLRMIFNMSTH-GOEBONIOSA-N 1 2 369.494 3.437 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)c(C#N)c1C ZINC000378599489 499536303 /nfs/dbraw/zinc/53/63/03/499536303.db2.gz VHKFUCKSSOYOBQ-RHSMWYFYSA-N 1 2 359.470 3.234 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2n1C ZINC000375694739 499546085 /nfs/dbraw/zinc/54/60/85/499546085.db2.gz WVNFJCNNUPNIFN-UHFFFAOYSA-N 1 2 374.444 3.437 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)n2)c1 ZINC000409623018 499609840 /nfs/dbraw/zinc/60/98/40/499609840.db2.gz XCIXCVUATZAGNL-UHFFFAOYSA-N 1 2 354.373 3.386 20 30 FGEDLO N#Cc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000409716982 499617168 /nfs/dbraw/zinc/61/71/68/499617168.db2.gz DKHCFRPOEOHFLI-UHFFFAOYSA-N 1 2 357.339 3.251 20 30 FGEDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1c1ccccc1Cl ZINC000377139621 499665443 /nfs/dbraw/zinc/66/54/43/499665443.db2.gz IXBBOWYBWHLZSI-INIZCTEOSA-N 1 2 357.801 3.008 20 30 FGEDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1c1ccccc1Cl ZINC000377139621 499665444 /nfs/dbraw/zinc/66/54/44/499665444.db2.gz IXBBOWYBWHLZSI-INIZCTEOSA-N 1 2 357.801 3.008 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377263797 499675149 /nfs/dbraw/zinc/67/51/49/499675149.db2.gz CXBFIRAMINULFS-VQTJNVASSA-N 1 2 364.493 3.019 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411194108 499709257 /nfs/dbraw/zinc/70/92/57/499709257.db2.gz QBFKXYOFFYKUDF-UHFFFAOYSA-N 1 2 367.449 3.169 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CCN(C2CC2)C1=O ZINC000411218905 499712846 /nfs/dbraw/zinc/71/28/46/499712846.db2.gz JKXBOQBTOVLGQL-INIZCTEOSA-N 1 2 367.262 3.340 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCN(C2CC2)C1=O ZINC000411218905 499712847 /nfs/dbraw/zinc/71/28/47/499712847.db2.gz JKXBOQBTOVLGQL-INIZCTEOSA-N 1 2 367.262 3.340 20 30 FGEDLO Cc1cc(NC(=O)C(=O)NCC(C)(C)CC#N)ccc1Oc1cc[nH+]cc1 ZINC000411641060 499772223 /nfs/dbraw/zinc/77/22/23/499772223.db2.gz GYDBMETWCJKHLI-UHFFFAOYSA-N 1 2 366.421 3.177 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000413123504 499916808 /nfs/dbraw/zinc/91/68/08/499916808.db2.gz MNOGDGOSCCWXFJ-GOSISDBHSA-N 1 2 352.482 3.249 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413580112 499996310 /nfs/dbraw/zinc/99/63/10/499996310.db2.gz PHLXMHNUJSPPNQ-NZSAHSFTSA-N 1 2 352.482 3.283 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413580112 499996313 /nfs/dbraw/zinc/99/63/13/499996313.db2.gz PHLXMHNUJSPPNQ-NZSAHSFTSA-N 1 2 352.482 3.283 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000413811442 500063982 /nfs/dbraw/zinc/06/39/82/500063982.db2.gz BEQFWGBRCMNLBG-OAQYLSRUSA-N 1 2 364.493 3.096 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000413830499 500069901 /nfs/dbraw/zinc/06/99/01/500069901.db2.gz XWHDZTXDTZKNIN-NRFANRHFSA-N 1 2 364.493 3.096 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000413841752 500073700 /nfs/dbraw/zinc/07/37/00/500073700.db2.gz XCGRXBZQGHUHIM-UYAOXDASSA-N 1 2 351.450 3.432 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426012260 500225248 /nfs/dbraw/zinc/22/52/48/500225248.db2.gz CLJVGBGXUKAFGG-FCHUYYIVSA-N 1 2 370.456 3.463 20 30 FGEDLO C=CCC[C@H](NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000422368674 500256021 /nfs/dbraw/zinc/25/60/21/500256021.db2.gz PWNJCOBDJRMKQQ-IBGZPJMESA-N 1 2 351.450 3.138 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000418938109 500331342 /nfs/dbraw/zinc/33/13/42/500331342.db2.gz DHXFGHFKHLFOOT-NRFANRHFSA-N 1 2 366.465 3.007 20 30 FGEDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000419262903 500347652 /nfs/dbraw/zinc/34/76/52/500347652.db2.gz UIJVPRPCUFQKKN-CQDKDKBSSA-N 1 2 351.244 3.335 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419621134 500385142 /nfs/dbraw/zinc/38/51/42/500385142.db2.gz RGVJNIRSWBNOGR-LJQANCHMSA-N 1 2 363.465 3.310 20 30 FGEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427742275 500426320 /nfs/dbraw/zinc/42/63/20/500426320.db2.gz GDWVZXGLKROZTO-UHFFFAOYSA-N 1 2 373.453 3.470 20 30 FGEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427742275 500426321 /nfs/dbraw/zinc/42/63/21/500426321.db2.gz GDWVZXGLKROZTO-UHFFFAOYSA-N 1 2 373.453 3.470 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432007547 500454592 /nfs/dbraw/zinc/45/45/92/500454592.db2.gz PZUCJOBBXSKZQR-UHFFFAOYSA-N 1 2 363.477 3.289 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000432007547 500454594 /nfs/dbraw/zinc/45/45/94/500454594.db2.gz PZUCJOBBXSKZQR-UHFFFAOYSA-N 1 2 363.477 3.289 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432010122 500454652 /nfs/dbraw/zinc/45/46/52/500454652.db2.gz BXBHONITTZPFOZ-GOSISDBHSA-N 1 2 360.408 3.148 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432010122 500454653 /nfs/dbraw/zinc/45/46/53/500454653.db2.gz BXBHONITTZPFOZ-GOSISDBHSA-N 1 2 360.408 3.148 20 30 FGEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)c1 ZINC000428001113 500456799 /nfs/dbraw/zinc/45/67/99/500456799.db2.gz OEAZNIFHXBQVRS-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)nn1 ZINC000424293641 500482594 /nfs/dbraw/zinc/48/25/94/500482594.db2.gz JAUNUIUEQYBWGN-AWEZNQCLSA-N 1 2 351.223 3.143 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000432240004 500487802 /nfs/dbraw/zinc/48/78/02/500487802.db2.gz IDTAHJSZQLORPK-UHFFFAOYSA-N 1 2 352.438 3.330 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCc3ccc(C#N)s3)c[nH+]2)CC1 ZINC000420783266 500499814 /nfs/dbraw/zinc/49/98/14/500499814.db2.gz RWWBKMNZHDJFDK-UHFFFAOYSA-N 1 2 369.494 3.250 20 30 FGEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925608 500532285 /nfs/dbraw/zinc/53/22/85/500532285.db2.gz LYTAIFRZIREWMX-DZGCQCFKSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925608 500532287 /nfs/dbraw/zinc/53/22/87/500532287.db2.gz LYTAIFRZIREWMX-DZGCQCFKSA-N 1 2 359.426 3.409 20 30 FGEDLO C=CCC1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000424695338 500544409 /nfs/dbraw/zinc/54/44/09/500544409.db2.gz QQRWPOSNQGTWAJ-UHFFFAOYSA-N 1 2 353.466 3.263 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCn3c(nnc3C3CCCC3)C2)c(OC(F)F)c1 ZINC000428848719 500565788 /nfs/dbraw/zinc/56/57/88/500565788.db2.gz JLSRINMHPKQVRM-UHFFFAOYSA-N 1 2 373.407 3.425 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCn3c(nnc3C3CCCC3)C2)c(OC(F)F)c1 ZINC000428848719 500565790 /nfs/dbraw/zinc/56/57/90/500565790.db2.gz JLSRINMHPKQVRM-UHFFFAOYSA-N 1 2 373.407 3.425 20 30 FGEDLO C=CCSc1ccccc1C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433109760 500627827 /nfs/dbraw/zinc/62/78/27/500627827.db2.gz GNAQIGGLONRLOX-INIZCTEOSA-N 1 2 356.495 3.207 20 30 FGEDLO CCOc1ccccc1CN1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000443063358 500672356 /nfs/dbraw/zinc/67/23/56/500672356.db2.gz DFXWGKAFKAKSHR-KRWDZBQOSA-N 1 2 352.482 3.002 20 30 FGEDLO CCOc1ccccc1CN1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000443063358 500672360 /nfs/dbraw/zinc/67/23/60/500672360.db2.gz DFXWGKAFKAKSHR-KRWDZBQOSA-N 1 2 352.482 3.002 20 30 FGEDLO N#Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C(F)(F)F ZINC000443513386 500732492 /nfs/dbraw/zinc/73/24/92/500732492.db2.gz WVFFKHJRSMHYKR-UHFFFAOYSA-N 1 2 361.302 3.331 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643209 500749014 /nfs/dbraw/zinc/74/90/14/500749014.db2.gz AIGXPJKFQQSMCD-SPYBWZPUSA-N 1 2 363.889 3.236 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643209 500749015 /nfs/dbraw/zinc/74/90/15/500749015.db2.gz AIGXPJKFQQSMCD-SPYBWZPUSA-N 1 2 363.889 3.236 20 30 FGEDLO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000444693037 500880678 /nfs/dbraw/zinc/88/06/78/500880678.db2.gz AAKJLSOIMIRFPR-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000444693037 500880681 /nfs/dbraw/zinc/88/06/81/500880681.db2.gz AAKJLSOIMIRFPR-QGZVFWFLSA-N 1 2 372.266 3.288 20 30 FGEDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438325 500897001 /nfs/dbraw/zinc/89/70/01/500897001.db2.gz CNUIGDJVASCTGX-DLBZAZTESA-N 1 2 367.367 3.007 20 30 FGEDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439438325 500897004 /nfs/dbraw/zinc/89/70/04/500897004.db2.gz CNUIGDJVASCTGX-DLBZAZTESA-N 1 2 367.367 3.007 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 ZINC000449013240 500896997 /nfs/dbraw/zinc/89/69/97/500896997.db2.gz KDABGSHNWISPHF-UHFFFAOYSA-N 1 2 354.435 3.498 20 30 FGEDLO CCCc1c(NC(=O)Nc2cc[nH+]c(C)c2)cnn1-c1cccc(C#N)c1 ZINC000439684287 500925592 /nfs/dbraw/zinc/92/55/92/500925592.db2.gz RDUZZTVHWUZVCJ-UHFFFAOYSA-N 1 2 360.421 3.466 20 30 FGEDLO C=C(C)CS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000435437364 500976805 /nfs/dbraw/zinc/97/68/05/500976805.db2.gz JKTOWWGXUARQPA-OAHLLOKOSA-N 1 2 360.882 3.112 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000435447632 500979441 /nfs/dbraw/zinc/97/94/41/500979441.db2.gz HSIHXXQXKFMZCK-ZDUSSCGKSA-N 1 2 359.376 3.132 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000435447632 500979443 /nfs/dbraw/zinc/97/94/43/500979443.db2.gz HSIHXXQXKFMZCK-ZDUSSCGKSA-N 1 2 359.376 3.132 20 30 FGEDLO N#CCCCOc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000449465924 501009158 /nfs/dbraw/zinc/00/91/58/501009158.db2.gz CPFOUYYXKPNMTI-UHFFFAOYSA-N 1 2 350.344 3.468 20 30 FGEDLO O[C@@H]([C@@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665243 501054560 /nfs/dbraw/zinc/05/45/60/501054560.db2.gz CHTGPYBIHMGCME-PELKAZGASA-N 1 2 361.257 3.469 20 30 FGEDLO O[C@@H]([C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665243 501054563 /nfs/dbraw/zinc/05/45/63/501054563.db2.gz CHTGPYBIHMGCME-PELKAZGASA-N 1 2 361.257 3.469 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000436084120 501068400 /nfs/dbraw/zinc/06/84/00/501068400.db2.gz QHSYKVNTHQTMKQ-INIZCTEOSA-N 1 2 354.797 3.366 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441076850 501084159 /nfs/dbraw/zinc/08/41/59/501084159.db2.gz FKCXRZQHGUNFPF-HRAATJIYSA-N 1 2 357.498 3.276 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441076850 501084163 /nfs/dbraw/zinc/08/41/63/501084163.db2.gz FKCXRZQHGUNFPF-HRAATJIYSA-N 1 2 357.498 3.276 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441082298 501085743 /nfs/dbraw/zinc/08/57/43/501085743.db2.gz WMSKOAREVRNDTK-OAQYLSRUSA-N 1 2 361.445 3.121 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441082298 501085746 /nfs/dbraw/zinc/08/57/46/501085746.db2.gz WMSKOAREVRNDTK-OAQYLSRUSA-N 1 2 361.445 3.121 20 30 FGEDLO Cc1ccccc1C(F)(F)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000596064721 506237877 /nfs/dbraw/zinc/23/78/77/506237877.db2.gz IIPACFWFSOPBOX-QGZVFWFLSA-N 1 2 360.404 3.182 20 30 FGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441194889 501101989 /nfs/dbraw/zinc/10/19/89/501101989.db2.gz JXBONGOUTLZSMD-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441194889 501101990 /nfs/dbraw/zinc/10/19/90/501101990.db2.gz JXBONGOUTLZSMD-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[NH+]2CCOCC2)o1 ZINC000596062892 506234625 /nfs/dbraw/zinc/23/46/25/506234625.db2.gz NBEPCOMKMXMLLR-KRWDZBQOSA-N 1 2 370.409 3.162 20 30 FGEDLO CN(C)c1ncccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451022680 501239682 /nfs/dbraw/zinc/23/96/82/501239682.db2.gz DLQKIOITVJSKNE-KRWDZBQOSA-N 1 2 356.857 3.326 20 30 FGEDLO CN(C)c1ncccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451022680 501239683 /nfs/dbraw/zinc/23/96/83/501239683.db2.gz DLQKIOITVJSKNE-KRWDZBQOSA-N 1 2 356.857 3.326 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCCC1 ZINC000451448923 501294726 /nfs/dbraw/zinc/29/47/26/501294726.db2.gz WOPYZCSNABXPCC-IBGZPJMESA-N 1 2 350.503 3.045 20 30 FGEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CC(C)(C)CC#N)ccc2n1C1CC1 ZINC000451519632 501311526 /nfs/dbraw/zinc/31/15/26/501311526.db2.gz XAHPICDFIYCGRS-UHFFFAOYSA-N 1 2 374.510 3.293 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661561 506250357 /nfs/dbraw/zinc/25/03/57/506250357.db2.gz FIENXKPUVHMJNI-INIZCTEOSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000602661561 506250363 /nfs/dbraw/zinc/25/03/63/506250363.db2.gz FIENXKPUVHMJNI-INIZCTEOSA-N 1 2 350.470 3.499 20 30 FGEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452036051 501422467 /nfs/dbraw/zinc/42/24/67/501422467.db2.gz IKFJQKHDOARCHM-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452036051 501422469 /nfs/dbraw/zinc/42/24/69/501422469.db2.gz IKFJQKHDOARCHM-CQSZACIVSA-N 1 2 361.511 3.328 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000455999999 501435409 /nfs/dbraw/zinc/43/54/09/501435409.db2.gz KTGOCZLMWQDTAY-HXUWFJFHSA-N 1 2 364.449 3.062 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000456010653 501437724 /nfs/dbraw/zinc/43/77/24/501437724.db2.gz UOAQHDPWKAKRQR-HNNXBMFYSA-N 1 2 351.454 3.497 20 30 FGEDLO CC(C)(C#N)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000611689399 506257909 /nfs/dbraw/zinc/25/79/09/506257909.db2.gz HLHJQIJLRAVJHK-HNNXBMFYSA-N 1 2 364.287 3.252 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459125901 501598743 /nfs/dbraw/zinc/59/87/43/501598743.db2.gz RKLNPQNMZLRPNA-KRWDZBQOSA-N 1 2 355.417 3.351 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000596109082 506263298 /nfs/dbraw/zinc/26/32/98/506263298.db2.gz FLOJEZBQTGTABU-KRWDZBQOSA-N 1 2 369.444 3.422 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000459260441 501620937 /nfs/dbraw/zinc/62/09/37/501620937.db2.gz QGSPAFOKKRIHBI-IYBDPMFKSA-N 1 2 358.486 3.357 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000459260441 501620939 /nfs/dbraw/zinc/62/09/39/501620939.db2.gz QGSPAFOKKRIHBI-IYBDPMFKSA-N 1 2 358.486 3.357 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CCO)C2)cc1OCC ZINC000459598426 501684522 /nfs/dbraw/zinc/68/45/22/501684522.db2.gz XCFCTYDOKCCTDO-UHFFFAOYSA-N 1 2 370.287 3.227 20 30 FGEDLO N#Cc1csc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000463492406 501741131 /nfs/dbraw/zinc/74/11/31/501741131.db2.gz RKFFNQAJWBMEMF-UHFFFAOYSA-N 1 2 362.462 3.290 20 30 FGEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)c1 ZINC000463492406 501741134 /nfs/dbraw/zinc/74/11/34/501741134.db2.gz RKFFNQAJWBMEMF-UHFFFAOYSA-N 1 2 362.462 3.290 20 30 FGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)CC1 ZINC000474207486 501744119 /nfs/dbraw/zinc/74/41/19/501744119.db2.gz KTHFMCBAHHURAA-UHFFFAOYSA-N 1 2 358.482 3.094 20 30 FGEDLO CC[C@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463507077 501746244 /nfs/dbraw/zinc/74/62/44/501746244.db2.gz XEQCWJJKYYDPDA-LEWJYISDSA-N 1 2 369.509 3.188 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304785 501766294 /nfs/dbraw/zinc/76/62/94/501766294.db2.gz PEBPMJUNLYGGBM-PVAVHDDUSA-N 1 2 367.367 3.210 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304785 501766296 /nfs/dbraw/zinc/76/62/96/501766296.db2.gz PEBPMJUNLYGGBM-PVAVHDDUSA-N 1 2 367.367 3.210 20 30 FGEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602726810 506275637 /nfs/dbraw/zinc/27/56/37/506275637.db2.gz BONRKJVLSCIACJ-CYBMUJFWSA-N 1 2 372.277 3.193 20 30 FGEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602726810 506275643 /nfs/dbraw/zinc/27/56/43/506275643.db2.gz BONRKJVLSCIACJ-CYBMUJFWSA-N 1 2 372.277 3.193 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000470920264 501856642 /nfs/dbraw/zinc/85/66/42/501856642.db2.gz SAZGCTNRXWGKDI-WFXMLNOXSA-N 1 2 369.509 3.438 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000470920264 501856646 /nfs/dbraw/zinc/85/66/46/501856646.db2.gz SAZGCTNRXWGKDI-WFXMLNOXSA-N 1 2 369.509 3.438 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000470995692 501886785 /nfs/dbraw/zinc/88/67/85/501886785.db2.gz PKVBCZJWEQATOH-HNNXBMFYSA-N 1 2 361.795 3.101 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000478345957 501950918 /nfs/dbraw/zinc/95/09/18/501950918.db2.gz SYSGAKOSNADFDG-WOJBJXKFSA-N 1 2 369.415 3.061 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000478345957 501950924 /nfs/dbraw/zinc/95/09/24/501950924.db2.gz SYSGAKOSNADFDG-WOJBJXKFSA-N 1 2 369.415 3.061 20 30 FGEDLO N#Cc1ccc(C[S@@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000478395391 501966313 /nfs/dbraw/zinc/96/63/13/501966313.db2.gz SGUNEJLJJJFEEC-RUZDIDTESA-N 1 2 353.422 3.391 20 30 FGEDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(C#N)cc1F ZINC000471595881 502079667 /nfs/dbraw/zinc/07/96/67/502079667.db2.gz WLUBQQARYMQKNL-CYBMUJFWSA-N 1 2 351.385 3.245 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817408 502104381 /nfs/dbraw/zinc/10/43/81/502104381.db2.gz ZHQOVFXLPCBRBA-FGZHOGPDSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464817408 502104386 /nfs/dbraw/zinc/10/43/86/502104386.db2.gz ZHQOVFXLPCBRBA-FGZHOGPDSA-N 1 2 361.489 3.426 20 30 FGEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000468831959 502198509 /nfs/dbraw/zinc/19/85/09/502198509.db2.gz FRQMNBSEZYOLNF-HNNXBMFYSA-N 1 2 352.344 3.437 20 30 FGEDLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000461795425 502203841 /nfs/dbraw/zinc/20/38/41/502203841.db2.gz LHOWDQARSMGTTJ-KUHUBIRLSA-N 1 2 362.408 3.440 20 30 FGEDLO Cc1nc(N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)c(Cl)cc1C#N ZINC000461885093 502222944 /nfs/dbraw/zinc/22/29/44/502222944.db2.gz RYVSSLDCVYYRRL-OALUTQOASA-N 1 2 370.884 3.423 20 30 FGEDLO Cc1nc(N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)c(Cl)cc1C#N ZINC000461885093 502222949 /nfs/dbraw/zinc/22/29/49/502222949.db2.gz RYVSSLDCVYYRRL-OALUTQOASA-N 1 2 370.884 3.423 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnccc2C)cc1 ZINC000483000050 502240540 /nfs/dbraw/zinc/24/05/40/502240540.db2.gz NZBMSFMAIYSQJF-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnccc2C)cc1 ZINC000483000050 502240547 /nfs/dbraw/zinc/24/05/47/502240547.db2.gz NZBMSFMAIYSQJF-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)cc(OC)c1 ZINC000475748230 502279683 /nfs/dbraw/zinc/27/96/83/502279683.db2.gz MZMYHNGQFNMZLZ-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)o3)CC2)cc1 ZINC000483169882 502300566 /nfs/dbraw/zinc/30/05/66/502300566.db2.gz RFMBMYZUZGBIBA-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483263032 502332833 /nfs/dbraw/zinc/33/28/33/502332833.db2.gz BYDXFHJRSUIPAR-LBPRGKRZSA-N 1 2 370.261 3.188 20 30 FGEDLO C[C@H]1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)S1=O ZINC000483430706 502389677 /nfs/dbraw/zinc/38/96/77/502389677.db2.gz XBICXAVEWVWQBQ-IRXDYDNUSA-N 1 2 368.502 3.479 20 30 FGEDLO C[C@@H]1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)S1=O ZINC000483443191 502395078 /nfs/dbraw/zinc/39/50/78/502395078.db2.gz RGANSQHLVKLRRX-IAGOWNOFSA-N 1 2 368.502 3.479 20 30 FGEDLO C=CCCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000472859681 502460024 /nfs/dbraw/zinc/46/00/24/502460024.db2.gz FPIMYXSWHXYSFF-UHFFFAOYSA-N 1 2 351.248 3.252 20 30 FGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082307 506314541 /nfs/dbraw/zinc/31/45/41/506314541.db2.gz BDCHKLORANXACA-ZBFHGGJFSA-N 1 2 351.372 3.042 20 30 FGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082307 506314544 /nfs/dbraw/zinc/31/45/44/506314544.db2.gz BDCHKLORANXACA-ZBFHGGJFSA-N 1 2 351.372 3.042 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000466124265 502483955 /nfs/dbraw/zinc/48/39/55/502483955.db2.gz PWUOMDQWIWZQHE-QHAWAJNXSA-N 1 2 366.509 3.354 20 30 FGEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000469706439 502509372 /nfs/dbraw/zinc/50/93/72/502509372.db2.gz YUZSPNNYWHTRBG-HNNXBMFYSA-N 1 2 352.381 3.466 20 30 FGEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000469706439 502509375 /nfs/dbraw/zinc/50/93/75/502509375.db2.gz YUZSPNNYWHTRBG-HNNXBMFYSA-N 1 2 352.381 3.466 20 30 FGEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 ZINC000483986784 502542186 /nfs/dbraw/zinc/54/21/86/502542186.db2.gz XOEOINIWMQVWEQ-UHFFFAOYSA-N 1 2 371.444 3.049 20 30 FGEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 ZINC000483986784 502542190 /nfs/dbraw/zinc/54/21/90/502542190.db2.gz XOEOINIWMQVWEQ-UHFFFAOYSA-N 1 2 371.444 3.049 20 30 FGEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)ccc1C#N ZINC000487903351 502561322 /nfs/dbraw/zinc/56/13/22/502561322.db2.gz BXFFRJHMOLRPAA-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)ccc1C#N ZINC000487903351 502561329 /nfs/dbraw/zinc/56/13/29/502561329.db2.gz BXFFRJHMOLRPAA-UHFFFAOYSA-N 1 2 373.254 3.095 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)c1 ZINC000466478221 502582644 /nfs/dbraw/zinc/58/26/44/502582644.db2.gz XTXLSWAJEJHGND-UHFFFAOYSA-N 1 2 363.352 3.354 20 30 FGEDLO COc1cc(F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC ZINC000582608345 506324480 /nfs/dbraw/zinc/32/44/80/506324480.db2.gz GAQBTWFXUJOZLB-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000470015461 502631191 /nfs/dbraw/zinc/63/11/91/502631191.db2.gz AAGPJOKSTLOYGK-UHFFFAOYSA-N 1 2 352.394 3.158 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000470015461 502631196 /nfs/dbraw/zinc/63/11/96/502631196.db2.gz AAGPJOKSTLOYGK-UHFFFAOYSA-N 1 2 352.394 3.158 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000463075385 502685052 /nfs/dbraw/zinc/68/50/52/502685052.db2.gz YMRIEONFCIASKW-CYBMUJFWSA-N 1 2 371.828 3.398 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866653 506330941 /nfs/dbraw/zinc/33/09/41/506330941.db2.gz WYXDKSRZIXNKQL-RWMBFGLXSA-N 1 2 369.296 3.239 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000481230745 502791390 /nfs/dbraw/zinc/79/13/90/502791390.db2.gz CZGGLXSWAKEGIS-KRWDZBQOSA-N 1 2 352.482 3.044 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000593017609 506337852 /nfs/dbraw/zinc/33/78/52/506337852.db2.gz IKVLVDFTKIBBBY-OAQYLSRUSA-N 1 2 350.466 3.251 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000513124141 502858307 /nfs/dbraw/zinc/85/83/07/502858307.db2.gz OZXDLRCKZBRJAW-UHFFFAOYSA-N 1 2 357.502 3.438 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000513153851 502865884 /nfs/dbraw/zinc/86/58/84/502865884.db2.gz MMNSUVMBUYQIAK-GFCCVEGCSA-N 1 2 371.824 3.139 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513153851 502865886 /nfs/dbraw/zinc/86/58/86/502865886.db2.gz MMNSUVMBUYQIAK-GFCCVEGCSA-N 1 2 371.824 3.139 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)s1 ZINC000513364631 502915442 /nfs/dbraw/zinc/91/54/42/502915442.db2.gz ASZZGCVOIKUUDN-UHFFFAOYSA-N 1 2 357.454 3.279 20 30 FGEDLO Cn1c(C[NH+]2CCC(Nc3ccccc3C#N)CC2)nnc1-c1ccccc1 ZINC000602897339 506341772 /nfs/dbraw/zinc/34/17/72/506341772.db2.gz WJKCUJLASJZIKK-UHFFFAOYSA-N 1 2 372.476 3.430 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)c1 ZINC000505613212 502950686 /nfs/dbraw/zinc/95/06/86/502950686.db2.gz QZMHUWXJQJCGAE-AWEZNQCLSA-N 1 2 356.857 3.498 20 30 FGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000489482998 502969476 /nfs/dbraw/zinc/96/94/76/502969476.db2.gz DQZLNWUDQPWZAG-INIZCTEOSA-N 1 2 353.466 3.325 20 30 FGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000489482998 502969480 /nfs/dbraw/zinc/96/94/80/502969480.db2.gz DQZLNWUDQPWZAG-INIZCTEOSA-N 1 2 353.466 3.325 20 30 FGEDLO COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907065 506346006 /nfs/dbraw/zinc/34/60/06/506346006.db2.gz KZGGOJBCNYDNPL-LJQANCHMSA-N 1 2 353.397 3.186 20 30 FGEDLO C=CCn1c(SCc2[nH+]ccn2C)nc2sc3c(c2c1=O)CCC3 ZINC000505869642 503002461 /nfs/dbraw/zinc/00/24/61/503002461.db2.gz ZKNKSRJYFAGMIV-UHFFFAOYSA-N 1 2 358.492 3.159 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513974502 503059676 /nfs/dbraw/zinc/05/96/76/503059676.db2.gz ORORERLAOIZHCK-YJYMSZOUSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000513974502 503059679 /nfs/dbraw/zinc/05/96/79/503059679.db2.gz ORORERLAOIZHCK-YJYMSZOUSA-N 1 2 355.800 3.325 20 30 FGEDLO N#Cc1cnc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000513993452 503063645 /nfs/dbraw/zinc/06/36/45/503063645.db2.gz BHBYRLHEYFPYBN-OAHLLOKOSA-N 1 2 361.232 3.047 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000506297294 503088377 /nfs/dbraw/zinc/08/83/77/503088377.db2.gz FKHCLCXBCFZOAG-QGZVFWFLSA-N 1 2 371.799 3.115 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000506297294 503088379 /nfs/dbraw/zinc/08/83/79/503088379.db2.gz FKHCLCXBCFZOAG-QGZVFWFLSA-N 1 2 371.799 3.115 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000514231566 503120681 /nfs/dbraw/zinc/12/06/81/503120681.db2.gz ZVVUOJBRFVGKED-QHCPKHFHSA-N 1 2 370.456 3.081 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000514231566 503120683 /nfs/dbraw/zinc/12/06/83/503120683.db2.gz ZVVUOJBRFVGKED-QHCPKHFHSA-N 1 2 370.456 3.081 20 30 FGEDLO CC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000498221608 503133583 /nfs/dbraw/zinc/13/35/83/503133583.db2.gz IZOYQWFIIOWWPH-UHFFFAOYSA-N 1 2 367.474 3.239 20 30 FGEDLO CCCn1c2ccccc2nc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506661916 503151899 /nfs/dbraw/zinc/15/18/99/503151899.db2.gz PPACIYRYHHIGEA-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO COCC1(C#N)CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000510617047 503156891 /nfs/dbraw/zinc/15/68/91/503156891.db2.gz OITCKBLYSSGSBV-UHFFFAOYSA-N 1 2 364.243 3.342 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)c1 ZINC000506690740 503157619 /nfs/dbraw/zinc/15/76/19/503157619.db2.gz TUHYYIWNXBOVDN-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO N#CC1(F)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000510903947 503214740 /nfs/dbraw/zinc/21/47/40/503214740.db2.gz VPOHFNFZRIJWTF-UHFFFAOYSA-N 1 2 365.206 3.327 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000510917759 503217559 /nfs/dbraw/zinc/21/75/59/503217559.db2.gz CDEVMLFFXYZLBQ-UHFFFAOYSA-N 1 2 357.473 3.332 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000510934591 503220368 /nfs/dbraw/zinc/22/03/68/503220368.db2.gz GQPVVXAHWQGMQA-GOSISDBHSA-N 1 2 357.454 3.281 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511061225 503244631 /nfs/dbraw/zinc/24/46/31/503244631.db2.gz XLQRPCPVYQZZRK-UHFFFAOYSA-N 1 2 351.853 3.453 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511061225 503244636 /nfs/dbraw/zinc/24/46/36/503244636.db2.gz XLQRPCPVYQZZRK-UHFFFAOYSA-N 1 2 351.853 3.453 20 30 FGEDLO Cc1cc(N(C)CCOCc2ccc(C#N)cc2)nc(-c2ccncc2)[nH+]1 ZINC000588859727 506360327 /nfs/dbraw/zinc/36/03/27/506360327.db2.gz NXCDLLIGCPLNPY-UHFFFAOYSA-N 1 2 359.433 3.372 20 30 FGEDLO COc1c(O)cccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000491205020 503286084 /nfs/dbraw/zinc/28/60/84/503286084.db2.gz HZRZUKAXTNUCFE-UHFFFAOYSA-N 1 2 374.444 3.143 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000599180794 506363023 /nfs/dbraw/zinc/36/30/23/506363023.db2.gz ZEYTYTYGWAFRCD-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000498972533 503307215 /nfs/dbraw/zinc/30/72/15/503307215.db2.gz DTCCSZRJIJZHMW-RHSMWYFYSA-N 1 2 363.339 3.134 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000498972533 503307219 /nfs/dbraw/zinc/30/72/19/503307219.db2.gz DTCCSZRJIJZHMW-RHSMWYFYSA-N 1 2 363.339 3.134 20 30 FGEDLO N#Cc1c(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cccc1C(F)F ZINC000599185335 506364928 /nfs/dbraw/zinc/36/49/28/506364928.db2.gz QKIYUXGBDOBROK-OAHLLOKOSA-N 1 2 358.392 3.204 20 30 FGEDLO N#Cc1c(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cccc1C(F)F ZINC000599185335 506364933 /nfs/dbraw/zinc/36/49/33/506364933.db2.gz QKIYUXGBDOBROK-OAHLLOKOSA-N 1 2 358.392 3.204 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)cc1 ZINC000593058513 506365659 /nfs/dbraw/zinc/36/56/59/506365659.db2.gz NHXCEGCCPWSNNJ-PKOBYXMFSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)cc1 ZINC000593058513 506365667 /nfs/dbraw/zinc/36/56/67/506365667.db2.gz NHXCEGCCPWSNNJ-PKOBYXMFSA-N 1 2 373.497 3.221 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503218290 503369534 /nfs/dbraw/zinc/36/95/34/503369534.db2.gz PXERMGZJYHUYNU-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503218290 503369540 /nfs/dbraw/zinc/36/95/40/503369540.db2.gz PXERMGZJYHUYNU-MRXNPFEDSA-N 1 2 351.450 3.218 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Br)cc1 ZINC000499387932 503393854 /nfs/dbraw/zinc/39/38/54/503393854.db2.gz JNCQWXPMRJZPDM-HNNXBMFYSA-N 1 2 369.222 3.020 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000611951066 506371697 /nfs/dbraw/zinc/37/16/97/506371697.db2.gz DJRDCTMHPJPKBP-UHFFFAOYSA-N 1 2 369.444 3.296 20 30 FGEDLO COc1cccc(-n2c3ccccc3[nH+]c2NCc2cc(C#N)n(C)c2)c1 ZINC000508455542 503497294 /nfs/dbraw/zinc/49/72/94/503497294.db2.gz ZJYAAWAOOCYAKH-UHFFFAOYSA-N 1 2 357.417 3.278 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000512261385 503501714 /nfs/dbraw/zinc/50/17/14/503501714.db2.gz OCEAPDDQEUKQBT-UHFFFAOYSA-N 1 2 368.452 3.277 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073132 506375997 /nfs/dbraw/zinc/37/59/97/506375997.db2.gz PVCDBAZFXUUXLX-UHFFFAOYSA-N 1 2 351.422 3.362 20 30 FGEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1cccc(C#N)c1 ZINC000499959581 503522264 /nfs/dbraw/zinc/52/22/64/503522264.db2.gz XZGWROYKHXFHTM-BDJLRTHQSA-N 1 2 361.804 3.001 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000512455370 503557730 /nfs/dbraw/zinc/55/77/30/503557730.db2.gz CSOWWFUAESEFBD-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512841603 503643000 /nfs/dbraw/zinc/64/30/00/503643000.db2.gz USINBQZRXFCYFA-ZDUSSCGKSA-N 1 2 356.438 3.464 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512841603 503643001 /nfs/dbraw/zinc/64/30/01/503643001.db2.gz USINBQZRXFCYFA-ZDUSSCGKSA-N 1 2 356.438 3.464 20 30 FGEDLO Cn1ccc2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000527066223 503664779 /nfs/dbraw/zinc/66/47/79/503664779.db2.gz POOQUGAQAWKDJM-UHFFFAOYSA-N 1 2 373.460 3.400 20 30 FGEDLO COCc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C#N ZINC000529816415 503713684 /nfs/dbraw/zinc/71/36/84/503713684.db2.gz LZWFKDASDZRYDN-FQEVSTJZSA-N 1 2 367.424 3.447 20 30 FGEDLO COCc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C#N ZINC000529816415 503713688 /nfs/dbraw/zinc/71/36/88/503713688.db2.gz LZWFKDASDZRYDN-FQEVSTJZSA-N 1 2 367.424 3.447 20 30 FGEDLO CC[N@H+](CC(=O)NCC(=O)c1cccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000533248219 503775866 /nfs/dbraw/zinc/77/58/66/503775866.db2.gz YQKNEQVEHUPHSZ-CQSZACIVSA-N 1 2 355.463 3.002 20 30 FGEDLO CC[N@@H+](CC(=O)NCC(=O)c1cccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000533248219 503775868 /nfs/dbraw/zinc/77/58/68/503775868.db2.gz YQKNEQVEHUPHSZ-CQSZACIVSA-N 1 2 355.463 3.002 20 30 FGEDLO CN(C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000533372266 503821218 /nfs/dbraw/zinc/82/12/18/503821218.db2.gz VEYRXOKHTIYJFD-UHFFFAOYSA-N 1 2 374.916 3.147 20 30 FGEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000533518241 503874083 /nfs/dbraw/zinc/87/40/83/503874083.db2.gz ZLTDPDXXJHHAEX-INIZCTEOSA-N 1 2 355.356 3.353 20 30 FGEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000533518241 503874085 /nfs/dbraw/zinc/87/40/85/503874085.db2.gz ZLTDPDXXJHHAEX-INIZCTEOSA-N 1 2 355.356 3.353 20 30 FGEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCCCC#N)c1 ZINC000537616050 503977245 /nfs/dbraw/zinc/97/72/45/503977245.db2.gz IKMGCLWSXXNPFB-UHFFFAOYSA-N 1 2 372.490 3.405 20 30 FGEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OCCCC#N)c1 ZINC000537616050 503977250 /nfs/dbraw/zinc/97/72/50/503977250.db2.gz IKMGCLWSXXNPFB-UHFFFAOYSA-N 1 2 372.490 3.405 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000544039547 503982773 /nfs/dbraw/zinc/98/27/73/503982773.db2.gz QNESHOKQESWHHU-KRWDZBQOSA-N 1 2 366.465 3.241 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000530517468 503995906 /nfs/dbraw/zinc/99/59/06/503995906.db2.gz WOHQEOIFPVCEDP-JOCHJYFZSA-N 1 2 367.493 3.299 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000530517468 503995909 /nfs/dbraw/zinc/99/59/09/503995909.db2.gz WOHQEOIFPVCEDP-JOCHJYFZSA-N 1 2 367.493 3.299 20 30 FGEDLO CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000530673696 504048710 /nfs/dbraw/zinc/04/87/10/504048710.db2.gz PSWVRFYEMZSFFF-UHFFFAOYSA-N 1 2 364.493 3.392 20 30 FGEDLO CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000530673696 504048713 /nfs/dbraw/zinc/04/87/13/504048713.db2.gz PSWVRFYEMZSFFF-UHFFFAOYSA-N 1 2 364.493 3.392 20 30 FGEDLO C=CCn1c(COc2ccc(C)cc2)nnc1SCCn1cc[nH+]c1 ZINC000534199418 504067991 /nfs/dbraw/zinc/06/79/91/504067991.db2.gz HFHMWEUSJGTBNE-UHFFFAOYSA-N 1 2 355.467 3.340 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000547415093 504096377 /nfs/dbraw/zinc/09/63/77/504096377.db2.gz BYYPDMPDTFBXIX-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(F)c(F)c(O)c1F)C(C)C ZINC000544562196 504175329 /nfs/dbraw/zinc/17/53/29/504175329.db2.gz PLCMBWRXFWBDJP-CQSZACIVSA-N 1 2 356.388 3.238 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000531384940 504288555 /nfs/dbraw/zinc/28/85/55/504288555.db2.gz SUINNZKEXCKMLN-IAGOWNOFSA-N 1 2 363.461 3.349 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000538825540 504382995 /nfs/dbraw/zinc/38/29/95/504382995.db2.gz XAHYACXEKLTJBF-LJQANCHMSA-N 1 2 366.490 3.329 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)OC)c2C#N)o1 ZINC000545226621 504406138 /nfs/dbraw/zinc/40/61/38/504406138.db2.gz HCAAZINEYCGQRJ-SFHVURJKSA-N 1 2 354.406 3.421 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)OC)c2C#N)o1 ZINC000545226621 504406143 /nfs/dbraw/zinc/40/61/43/504406143.db2.gz HCAAZINEYCGQRJ-SFHVURJKSA-N 1 2 354.406 3.421 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548492931 504465770 /nfs/dbraw/zinc/46/57/70/504465770.db2.gz KZYNVKYBLMJPRZ-OPAMFIHVSA-N 1 2 361.445 3.407 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548492931 504465776 /nfs/dbraw/zinc/46/57/76/504465776.db2.gz KZYNVKYBLMJPRZ-OPAMFIHVSA-N 1 2 361.445 3.407 20 30 FGEDLO CC[C@@H](CC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000545482195 504502947 /nfs/dbraw/zinc/50/29/47/504502947.db2.gz GKHOMVLMCZBPSE-INIZCTEOSA-N 1 2 368.403 3.116 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548638719 504506453 /nfs/dbraw/zinc/50/64/53/504506453.db2.gz NIYSCCKFFSYQGD-ZDUSSCGKSA-N 1 2 365.355 3.212 20 30 FGEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)cc1 ZINC000548752602 504553149 /nfs/dbraw/zinc/55/31/49/504553149.db2.gz KNXDUXSLZPNFOE-KBPBESRZSA-N 1 2 366.465 3.396 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913443 504581226 /nfs/dbraw/zinc/58/12/26/504581226.db2.gz HKQGPHDVIURTSW-KXBFYZLASA-N 1 2 366.452 3.417 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913443 504581233 /nfs/dbraw/zinc/58/12/33/504581233.db2.gz HKQGPHDVIURTSW-KXBFYZLASA-N 1 2 366.452 3.417 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913442 504581842 /nfs/dbraw/zinc/58/18/42/504581842.db2.gz HKQGPHDVIURTSW-HNAYVOBHSA-N 1 2 366.452 3.417 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913442 504581845 /nfs/dbraw/zinc/58/18/45/504581845.db2.gz HKQGPHDVIURTSW-HNAYVOBHSA-N 1 2 366.452 3.417 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378137 504627819 /nfs/dbraw/zinc/62/78/19/504627819.db2.gz HLFQWEYJRRCOJL-HZPDHXFCSA-N 1 2 371.481 3.329 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378137 504627824 /nfs/dbraw/zinc/62/78/24/504627824.db2.gz HLFQWEYJRRCOJL-HZPDHXFCSA-N 1 2 371.481 3.329 20 30 FGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)n1 ZINC000521038943 504635517 /nfs/dbraw/zinc/63/55/17/504635517.db2.gz UWZXGWIRZKLZFR-HNNXBMFYSA-N 1 2 372.469 3.072 20 30 FGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)n1 ZINC000521038943 504635520 /nfs/dbraw/zinc/63/55/20/504635520.db2.gz UWZXGWIRZKLZFR-HNNXBMFYSA-N 1 2 372.469 3.072 20 30 FGEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)S(=O)(=O)c1cccc(Cl)c1 ZINC000539828564 504705487 /nfs/dbraw/zinc/70/54/87/504705487.db2.gz CBTQPUUVCMRAQP-UHFFFAOYSA-N 1 2 366.870 3.429 20 30 FGEDLO N#CCCOCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000549307597 504787889 /nfs/dbraw/zinc/78/78/89/504787889.db2.gz YILLXZBGUFAMNE-UHFFFAOYSA-N 1 2 371.510 3.276 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000559156939 504793979 /nfs/dbraw/zinc/79/39/79/504793979.db2.gz SPDRMRJUKOMFMJ-INIZCTEOSA-N 1 2 370.522 3.007 20 30 FGEDLO CCCc1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cnn1-c1cccc(C#N)c1 ZINC000562453924 504825837 /nfs/dbraw/zinc/82/58/37/504825837.db2.gz OAMDLNARBFLEAD-INIZCTEOSA-N 1 2 374.448 3.094 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)c1 ZINC000562642129 504890863 /nfs/dbraw/zinc/89/08/63/504890863.db2.gz LUAXHAOTAIZYQG-JTSKRJEESA-N 1 2 367.493 3.374 20 30 FGEDLO COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1OC(C)C ZINC000565634870 504942712 /nfs/dbraw/zinc/94/27/12/504942712.db2.gz XHKMJEGSLJTHME-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000563091422 505046202 /nfs/dbraw/zinc/04/62/02/505046202.db2.gz WUGOOLDEDOXQAA-UHFFFAOYSA-N 1 2 370.460 3.096 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)C2 ZINC000560448014 505088862 /nfs/dbraw/zinc/08/88/62/505088862.db2.gz BFWMFFBPEUPZEB-NSHDSACASA-N 1 2 372.860 3.237 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000560595217 505137560 /nfs/dbraw/zinc/13/75/60/505137560.db2.gz BPFMSLWGDSXHNX-UHFFFAOYSA-N 1 2 371.444 3.302 20 30 FGEDLO Cc1ccc2ccccc2c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563437688 505141200 /nfs/dbraw/zinc/14/12/00/505141200.db2.gz AWVOPROAIJKBHP-UHFFFAOYSA-N 1 2 373.456 3.062 20 30 FGEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NC1(C#N)CCSCC1 ZINC000560648685 505152996 /nfs/dbraw/zinc/15/29/96/505152996.db2.gz AGSFEWNSQBJFOI-UHFFFAOYSA-N 1 2 356.495 3.284 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000560832353 505197474 /nfs/dbraw/zinc/19/74/74/505197474.db2.gz CERUYFVRKMEVMD-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)NCC3(C#N)CC3)[nH+]c12 ZINC000566716560 505251857 /nfs/dbraw/zinc/25/18/57/505251857.db2.gz QUOYUSKHOBHOCJ-UHFFFAOYSA-N 1 2 360.417 3.255 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000563869848 505262281 /nfs/dbraw/zinc/26/22/81/505262281.db2.gz RHERSCNXEHBNQD-WBVHZDCISA-N 1 2 356.474 3.454 20 30 FGEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000555247142 505390265 /nfs/dbraw/zinc/39/02/65/505390265.db2.gz FQKGCXYATHHXQH-HNNXBMFYSA-N 1 2 360.531 3.317 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nncn2-c2ccccc2)c(C(F)(F)F)c1 ZINC000564414919 505413395 /nfs/dbraw/zinc/41/33/95/505413395.db2.gz ITPSBYYLTATGEP-UHFFFAOYSA-N 1 2 357.339 3.448 20 30 FGEDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561928447 505470890 /nfs/dbraw/zinc/47/08/90/505470890.db2.gz ONIQPNNIJADPNZ-AWEZNQCLSA-N 1 2 364.287 3.059 20 30 FGEDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561928447 505470893 /nfs/dbraw/zinc/47/08/93/505470893.db2.gz ONIQPNNIJADPNZ-AWEZNQCLSA-N 1 2 364.287 3.059 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2ncn(-c3ccccc3)n2)cc1OC ZINC000555644001 505484243 /nfs/dbraw/zinc/48/42/43/505484243.db2.gz RJLAOTCCJAUWGT-UHFFFAOYSA-N 1 2 350.422 3.131 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000552611759 505521937 /nfs/dbraw/zinc/52/19/37/505521937.db2.gz CGYBECMYLSJWIF-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000558990029 505547324 /nfs/dbraw/zinc/54/73/24/505547324.db2.gz HUTQGXOIMFWKOH-UHFFFAOYSA-N 1 2 370.501 3.130 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599270843 506392846 /nfs/dbraw/zinc/39/28/46/506392846.db2.gz FWBKTXDECZQUKY-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Br ZINC000599270843 506392851 /nfs/dbraw/zinc/39/28/51/506392851.db2.gz FWBKTXDECZQUKY-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115688 506401748 /nfs/dbraw/zinc/40/17/48/506401748.db2.gz DTYKITMQYKZFDE-HWPZZCPQSA-N 1 2 351.422 3.167 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115688 506401751 /nfs/dbraw/zinc/40/17/51/506401751.db2.gz DTYKITMQYKZFDE-HWPZZCPQSA-N 1 2 351.422 3.167 20 30 FGEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000608150167 506439366 /nfs/dbraw/zinc/43/93/66/506439366.db2.gz BQVPOVPXYWOODY-HSZRJFAPSA-N 1 2 374.484 3.023 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1cn2ccc(C)cc2[nH+]1 ZINC000603277616 506475576 /nfs/dbraw/zinc/47/55/76/506475576.db2.gz LQQIBUHWHVUYMM-UHFFFAOYSA-N 1 2 350.422 3.290 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195023 506476802 /nfs/dbraw/zinc/47/68/02/506476802.db2.gz BRFCOKWQCHRDQM-ZWKOTPCHSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195023 506476808 /nfs/dbraw/zinc/47/68/08/506476808.db2.gz BRFCOKWQCHRDQM-ZWKOTPCHSA-N 1 2 373.815 3.232 20 30 FGEDLO C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582290 506510229 /nfs/dbraw/zinc/51/02/29/506510229.db2.gz MNGWRZCGXBEBRA-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582290 506510235 /nfs/dbraw/zinc/51/02/35/506510235.db2.gz MNGWRZCGXBEBRA-ZFWWWQNUSA-N 1 2 359.426 3.266 20 30 FGEDLO Cc1cc(F)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000596659366 506516165 /nfs/dbraw/zinc/51/61/65/506516165.db2.gz WZRGOCSXQDDLBO-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000596695792 506543436 /nfs/dbraw/zinc/54/34/36/506543436.db2.gz BROMSGGFGLOLHH-YRNRMSPPSA-N 1 2 356.470 3.063 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000596695792 506543448 /nfs/dbraw/zinc/54/34/48/506543448.db2.gz BROMSGGFGLOLHH-YRNRMSPPSA-N 1 2 356.470 3.063 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599676498 506572382 /nfs/dbraw/zinc/57/23/82/506572382.db2.gz DQWAILWEYXODLM-UHFFFAOYSA-N 1 2 364.474 3.300 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(C#N)c1C ZINC000599676498 506572386 /nfs/dbraw/zinc/57/23/86/506572386.db2.gz DQWAILWEYXODLM-UHFFFAOYSA-N 1 2 364.474 3.300 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000599686165 506581083 /nfs/dbraw/zinc/58/10/83/506581083.db2.gz NLHNLKYBSGZBHC-UHFFFAOYSA-N 1 2 365.389 3.086 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000599686165 506581085 /nfs/dbraw/zinc/58/10/85/506581085.db2.gz NLHNLKYBSGZBHC-UHFFFAOYSA-N 1 2 365.389 3.086 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000593401484 506601000 /nfs/dbraw/zinc/60/10/00/506601000.db2.gz BRVOSIMSYIBUHZ-CTWPCTMYSA-N 1 2 365.481 3.333 20 30 FGEDLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612543716 506618073 /nfs/dbraw/zinc/61/80/73/506618073.db2.gz RNUOJQBWBBTYII-GJZGRUSLSA-N 1 2 351.454 3.258 20 30 FGEDLO Cc1cc(C)c(C#N)c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000603858704 506639095 /nfs/dbraw/zinc/63/90/95/506639095.db2.gz VEJGZWZEGVJTCN-HOTGVXAUSA-N 1 2 351.454 3.191 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604276124 506770965 /nfs/dbraw/zinc/77/09/65/506770965.db2.gz GBSZTPDUSLYUKN-IJLUTSLNSA-N 1 2 373.341 3.057 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000597117570 506784681 /nfs/dbraw/zinc/78/46/81/506784681.db2.gz VZGSDIJHYMKSMV-HXUWFJFHSA-N 1 2 369.900 3.329 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000600118274 506784800 /nfs/dbraw/zinc/78/48/00/506784800.db2.gz XEERYSXCMHNZCV-UHFFFAOYSA-N 1 2 359.433 3.294 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000590326598 506795794 /nfs/dbraw/zinc/79/57/94/506795794.db2.gz SCHGECMPCRDRDT-RHSMWYFYSA-N 1 2 351.372 3.049 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000590326598 506795797 /nfs/dbraw/zinc/79/57/97/506795797.db2.gz SCHGECMPCRDRDT-RHSMWYFYSA-N 1 2 351.372 3.049 20 30 FGEDLO Cn1c2ccc(CNC(=O)CNc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000590357878 506804107 /nfs/dbraw/zinc/80/41/07/506804107.db2.gz XPABIAFZVIZTDE-UHFFFAOYSA-N 1 2 359.433 3.051 20 30 FGEDLO COc1cc(OC)c(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1F ZINC000597183054 506821097 /nfs/dbraw/zinc/82/10/97/506821097.db2.gz IUUSCXOOKDWWOZ-UHFFFAOYSA-N 1 2 361.442 3.098 20 30 FGEDLO COc1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1OCCCC#N ZINC000597232070 506850148 /nfs/dbraw/zinc/85/01/48/506850148.db2.gz OXLLLNBHRFGHMJ-UHFFFAOYSA-N 1 2 368.433 3.478 20 30 FGEDLO COc1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1OCCCC#N ZINC000597232070 506850152 /nfs/dbraw/zinc/85/01/52/506850152.db2.gz OXLLLNBHRFGHMJ-UHFFFAOYSA-N 1 2 368.433 3.478 20 30 FGEDLO Cc1cc(C)c(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000590836102 506989084 /nfs/dbraw/zinc/98/90/84/506989084.db2.gz KFUXIFULZMXMPN-UHFFFAOYSA-N 1 2 364.453 3.064 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000594536689 507176332 /nfs/dbraw/zinc/17/63/32/507176332.db2.gz GOVLPCULERMKKS-JCGIZDLHSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000594536689 507176341 /nfs/dbraw/zinc/17/63/41/507176341.db2.gz GOVLPCULERMKKS-JCGIZDLHSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000610321890 507193649 /nfs/dbraw/zinc/19/36/49/507193649.db2.gz MPVPNFZPNFXWFB-MRXNPFEDSA-N 1 2 364.449 3.273 20 30 FGEDLO CCc1nnc(NCc2cc[nH+]c(N3CCSCC3)c2)c(C#N)c1CC ZINC000601239797 507306762 /nfs/dbraw/zinc/30/67/62/507306762.db2.gz CCLMURAVUGXYSX-UHFFFAOYSA-N 1 2 368.510 3.033 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601261722 507314300 /nfs/dbraw/zinc/31/43/00/507314300.db2.gz SDPPJZAOBLJICG-UHFFFAOYSA-N 1 2 352.482 3.230 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000598311415 507372609 /nfs/dbraw/zinc/37/26/09/507372609.db2.gz PMEUIMDFEGQDJZ-UHFFFAOYSA-N 1 2 362.477 3.427 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000598311415 507372614 /nfs/dbraw/zinc/37/26/14/507372614.db2.gz PMEUIMDFEGQDJZ-UHFFFAOYSA-N 1 2 362.477 3.427 20 30 FGEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(Cl)cc1 ZINC000584505470 507382337 /nfs/dbraw/zinc/38/23/37/507382337.db2.gz QAMCMCLVZZVDTG-SFHVURJKSA-N 1 2 358.825 3.476 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000584536732 507399408 /nfs/dbraw/zinc/39/94/08/507399408.db2.gz BAPWDOWYBQYHKI-WKILWMFISA-N 1 2 352.413 3.174 20 30 FGEDLO N#CCc1ccccc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000601683846 507424714 /nfs/dbraw/zinc/42/47/14/507424714.db2.gz AVLRPCXDCODSHD-UHFFFAOYSA-N 1 2 358.445 3.192 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 ZINC000610991283 507470666 /nfs/dbraw/zinc/47/06/66/507470666.db2.gz CLERKQKBOPSEHW-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 ZINC000610991283 507470672 /nfs/dbraw/zinc/47/06/72/507470672.db2.gz CLERKQKBOPSEHW-QGZVFWFLSA-N 1 2 358.239 3.289 20 30 FGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000592100519 507483442 /nfs/dbraw/zinc/48/34/42/507483442.db2.gz XUOSJKJXBWGXQX-KRWDZBQOSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000592100519 507483450 /nfs/dbraw/zinc/48/34/50/507483450.db2.gz XUOSJKJXBWGXQX-KRWDZBQOSA-N 1 2 350.470 3.499 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149215 507509236 /nfs/dbraw/zinc/50/92/36/507509236.db2.gz KTNLSUSLRPBEOE-IERDGZPVSA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149215 507509242 /nfs/dbraw/zinc/50/92/42/507509242.db2.gz KTNLSUSLRPBEOE-IERDGZPVSA-N 1 2 365.433 3.156 20 30 FGEDLO N#CCCN(C(=O)C[NH+]1CC2(C1)CC(F)(F)C2)c1cccc(Cl)c1 ZINC000611180388 507550429 /nfs/dbraw/zinc/55/04/29/507550429.db2.gz FZCOOVSXXDQARA-UHFFFAOYSA-N 1 2 353.800 3.318 20 30 FGEDLO CC(C)Cc1ncc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 ZINC000611259721 507587089 /nfs/dbraw/zinc/58/70/89/507587089.db2.gz AOKJEAQGTRMZCS-UHFFFAOYSA-N 1 2 371.510 3.401 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615744 507594370 /nfs/dbraw/zinc/59/43/70/507594370.db2.gz SKCBHMWNAZZJDW-KGLIPLIRSA-N 1 2 363.483 3.186 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615744 507594376 /nfs/dbraw/zinc/59/43/76/507594376.db2.gz SKCBHMWNAZZJDW-KGLIPLIRSA-N 1 2 363.483 3.186 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595621924 507597479 /nfs/dbraw/zinc/59/74/79/507597479.db2.gz ZTURVHVPEMTRSL-QZTJIDSGSA-N 1 2 365.481 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621924 507597486 /nfs/dbraw/zinc/59/74/86/507597486.db2.gz ZTURVHVPEMTRSL-QZTJIDSGSA-N 1 2 365.481 3.442 20 30 FGEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000595679985 507624796 /nfs/dbraw/zinc/62/47/96/507624796.db2.gz MENJLNAUAKXTKX-FQEVSTJZSA-N 1 2 368.433 3.182 20 30 FGEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000595679985 507624801 /nfs/dbraw/zinc/62/48/01/507624801.db2.gz MENJLNAUAKXTKX-FQEVSTJZSA-N 1 2 368.433 3.182 20 30 FGEDLO COC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC)c1 ZINC000595682616 507625806 /nfs/dbraw/zinc/62/58/06/507625806.db2.gz CKWKHEPHYXLEKX-GOSISDBHSA-N 1 2 364.405 3.094 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611356766 507640566 /nfs/dbraw/zinc/64/05/66/507640566.db2.gz MJADWLUXJDJMOW-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611356766 507640574 /nfs/dbraw/zinc/64/05/74/507640574.db2.gz MJADWLUXJDJMOW-QZTJIDSGSA-N 1 2 372.831 3.311 20 30 FGEDLO N#CCSCCC[N@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595747380 507662850 /nfs/dbraw/zinc/66/28/50/507662850.db2.gz CTRMRGSDQVWTPS-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595747380 507662856 /nfs/dbraw/zinc/66/28/56/507662856.db2.gz CTRMRGSDQVWTPS-OAHLLOKOSA-N 1 2 355.301 3.469 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3noc(Cc4ccccc4)n3)CCOCC2)c1 ZINC000595765657 507674701 /nfs/dbraw/zinc/67/47/01/507674701.db2.gz RYNGMHHRYVODBT-UHFFFAOYSA-N 1 2 374.444 3.328 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587051784 507705819 /nfs/dbraw/zinc/70/58/19/507705819.db2.gz VNILFTYTGAJILR-IBGZPJMESA-N 1 2 357.417 3.243 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844488 507709629 /nfs/dbraw/zinc/70/96/29/507709629.db2.gz UBADCJFMFVEACZ-FUHWJXTLSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000595844488 507709637 /nfs/dbraw/zinc/70/96/37/507709637.db2.gz UBADCJFMFVEACZ-FUHWJXTLSA-N 1 2 365.399 3.432 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000602435139 507711262 /nfs/dbraw/zinc/71/12/62/507711262.db2.gz RFDAHDIIYNFHBE-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000611518572 507718312 /nfs/dbraw/zinc/71/83/12/507718312.db2.gz XZRWUSAFYHZZDO-UHFFFAOYSA-N 1 2 372.428 3.261 20 30 FGEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000611518572 507718320 /nfs/dbraw/zinc/71/83/20/507718320.db2.gz XZRWUSAFYHZZDO-UHFFFAOYSA-N 1 2 372.428 3.261 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000588005851 507731101 /nfs/dbraw/zinc/73/11/01/507731101.db2.gz PWMHBCYYDUDSAP-GFCCVEGCSA-N 1 2 369.350 3.031 20 30 FGEDLO Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000588009264 507731296 /nfs/dbraw/zinc/73/12/96/507731296.db2.gz CIXIBSYFFRKDTN-QZTJIDSGSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccc(C#N)c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000588009264 507731301 /nfs/dbraw/zinc/73/13/01/507731301.db2.gz CIXIBSYFFRKDTN-QZTJIDSGSA-N 1 2 356.857 3.399 20 30 FGEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550437 507733988 /nfs/dbraw/zinc/73/39/88/507733988.db2.gz AWUWPOMPNIGYQD-YOEHRIQHSA-N 1 2 371.412 3.149 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCc2ccccc2C1 ZINC000330296456 568158865 /nfs/dbraw/zinc/15/88/65/568158865.db2.gz KEKNHYJUZXWAJM-SFHVURJKSA-N 1 2 366.465 3.110 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCCOc2cccc(Br)c2)cc1 ZINC000071912555 695958658 /nfs/dbraw/zinc/95/86/58/695958658.db2.gz WZFSXMZKMSWJAX-UHFFFAOYSA-N 1 2 365.227 3.174 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181546 700226745 /nfs/dbraw/zinc/22/67/45/700226745.db2.gz GUMXGGKZYKHEQO-UTUOFQBUSA-N 1 2 358.326 3.248 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181546 700226748 /nfs/dbraw/zinc/22/67/48/700226748.db2.gz GUMXGGKZYKHEQO-UTUOFQBUSA-N 1 2 358.326 3.248 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000106067266 700506254 /nfs/dbraw/zinc/50/62/54/700506254.db2.gz BQMHBQFKTJBJEW-JTQLQIEISA-N 1 2 367.783 3.477 20 30 FGEDLO COc1cc(C(N)=[NH+]OCc2ccc(F)c(F)c2)ccc1OC(F)F ZINC000117868239 700606128 /nfs/dbraw/zinc/60/61/28/700606128.db2.gz ZALRXOZUTXOHEM-UHFFFAOYSA-N 1 2 358.291 3.412 20 30 FGEDLO N=C(NOC(=O)CCCSc1[nH+]cc2ccccn21)c1cccs1 ZINC000121624270 700676614 /nfs/dbraw/zinc/67/66/14/700676614.db2.gz VLAVOAPSBIWAMW-UHFFFAOYSA-N 1 2 360.464 3.132 20 30 FGEDLO C=CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1cnccn1 ZINC000162617028 705299626 /nfs/dbraw/zinc/29/96/26/705299626.db2.gz UCDVOIAYAPSIMV-GJZGRUSLSA-N 1 2 356.499 3.137 20 30 FGEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@]34CCOc3ccccc34)sc2C1 ZINC000329592037 713830766 /nfs/dbraw/zinc/83/07/66/713830766.db2.gz BUPJSZNXMJQDQC-YJYMSZOUSA-N 1 2 355.463 3.459 20 30 FGEDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@]34CCOc3ccccc34)sc2C1 ZINC000329592037 713830771 /nfs/dbraw/zinc/83/07/71/713830771.db2.gz BUPJSZNXMJQDQC-YJYMSZOUSA-N 1 2 355.463 3.459 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329789978 713832563 /nfs/dbraw/zinc/83/25/63/713832563.db2.gz SUJRIZCVBPCSHZ-YUELXQCFSA-N 1 2 367.881 3.233 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329789978 713832567 /nfs/dbraw/zinc/83/25/67/713832567.db2.gz SUJRIZCVBPCSHZ-YUELXQCFSA-N 1 2 367.881 3.233 20 30 FGEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1Br ZINC000523654191 714245079 /nfs/dbraw/zinc/24/50/79/714245079.db2.gz UNAKRUJRUXYZDA-UHFFFAOYSA-N 1 2 366.303 3.423 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1Br ZINC000523654191 714245082 /nfs/dbraw/zinc/24/50/82/714245082.db2.gz UNAKRUJRUXYZDA-UHFFFAOYSA-N 1 2 366.303 3.423 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)CCC1 ZINC000525886097 714385968 /nfs/dbraw/zinc/38/59/68/714385968.db2.gz ZGHZQRLAYVNWFX-UHFFFAOYSA-N 1 2 374.282 3.101 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CCC1 ZINC000525886097 714385969 /nfs/dbraw/zinc/38/59/69/714385969.db2.gz ZGHZQRLAYVNWFX-UHFFFAOYSA-N 1 2 374.282 3.101 20 30 FGEDLO C=C[C@H](N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809817 714872509 /nfs/dbraw/zinc/87/25/09/714872509.db2.gz KMBIIOBJEQCZCX-BBWFWOEESA-N 1 2 354.853 3.320 20 30 FGEDLO C=C[C@H](N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809817 714872512 /nfs/dbraw/zinc/87/25/12/714872512.db2.gz KMBIIOBJEQCZCX-BBWFWOEESA-N 1 2 354.853 3.320 20 30 FGEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949026 724711372 /nfs/dbraw/zinc/71/13/72/724711372.db2.gz PEYLWLLJULQIIK-UHFFFAOYSA-N 1 2 360.211 3.166 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679871966 722051685 /nfs/dbraw/zinc/05/16/85/722051685.db2.gz DESFTAAJQPUXDY-NVXWUHKLSA-N 1 2 355.404 3.457 20 30 FGEDLO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000679871966 722051687 /nfs/dbraw/zinc/05/16/87/722051687.db2.gz DESFTAAJQPUXDY-NVXWUHKLSA-N 1 2 355.404 3.457 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000784336322 724844534 /nfs/dbraw/zinc/84/45/34/724844534.db2.gz GAVRJPKICBTDBS-OAHLLOKOSA-N 1 2 351.372 3.405 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000784336322 724844538 /nfs/dbraw/zinc/84/45/38/724844538.db2.gz GAVRJPKICBTDBS-OAHLLOKOSA-N 1 2 351.372 3.405 20 30 FGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc(I)cn1 ZINC000738025312 722527788 /nfs/dbraw/zinc/52/77/88/722527788.db2.gz WPBHCRALYMNPPY-UHFFFAOYSA-N 1 2 353.207 3.133 20 30 FGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc(I)cn1 ZINC000738025312 722527789 /nfs/dbraw/zinc/52/77/89/722527789.db2.gz WPBHCRALYMNPPY-UHFFFAOYSA-N 1 2 353.207 3.133 20 30 FGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740765530 722537479 /nfs/dbraw/zinc/53/74/79/722537479.db2.gz FEHFWGYNVKSPRT-RMKNXTFCSA-N 1 2 362.357 3.227 20 30 FGEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)NCCc2cccs2)cn1 ZINC000790153841 723110434 /nfs/dbraw/zinc/11/04/34/723110434.db2.gz LETUYHOIRZPKME-UHFFFAOYSA-N 1 2 361.540 3.028 20 30 FGEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794623507 723536100 /nfs/dbraw/zinc/53/61/00/723536100.db2.gz NGSJYSPKHVSHGE-UHFFFAOYSA-N 1 2 354.483 3.005 20 30 FGEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794623507 723536101 /nfs/dbraw/zinc/53/61/01/723536101.db2.gz NGSJYSPKHVSHGE-UHFFFAOYSA-N 1 2 354.483 3.005 20 30 FGEDLO C=CC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)C ZINC000795412271 723589052 /nfs/dbraw/zinc/58/90/52/723589052.db2.gz QUVNIDQEPMRSAI-UHFFFAOYSA-N 1 2 368.231 3.167 20 30 FGEDLO C=CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)C ZINC000795412271 723589054 /nfs/dbraw/zinc/58/90/54/723589054.db2.gz QUVNIDQEPMRSAI-UHFFFAOYSA-N 1 2 368.231 3.167 20 30 FGEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000796522657 723641354 /nfs/dbraw/zinc/64/13/54/723641354.db2.gz OCXQBWKNXVQYQP-LBPRGKRZSA-N 1 2 361.795 3.409 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000769813620 723696660 /nfs/dbraw/zinc/69/66/60/723696660.db2.gz LYMLQTAPPBKMEF-INIZCTEOSA-N 1 2 361.511 3.398 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000769813620 723696661 /nfs/dbraw/zinc/69/66/61/723696661.db2.gz LYMLQTAPPBKMEF-INIZCTEOSA-N 1 2 361.511 3.398 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000769920376 723700897 /nfs/dbraw/zinc/70/08/97/723700897.db2.gz IFYFNYZSFJCBDG-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)[C@H]1CCCO1 ZINC000775784897 724061719 /nfs/dbraw/zinc/06/17/19/724061719.db2.gz LXYGSOMUBYGSOS-HZPDHXFCSA-N 1 2 358.463 3.098 20 30 FGEDLO C#C[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775800066 724063508 /nfs/dbraw/zinc/06/35/08/724063508.db2.gz QNIQVZNOKZXPFD-JKSUJKDBSA-N 1 2 361.239 3.375 20 30 FGEDLO C#C[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775800064 724063650 /nfs/dbraw/zinc/06/36/50/724063650.db2.gz QNIQVZNOKZXPFD-HOTGVXAUSA-N 1 2 361.239 3.375 20 30 FGEDLO C[NH+]1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2Br)CC1 ZINC000799725705 724088321 /nfs/dbraw/zinc/08/83/21/724088321.db2.gz JUAAQDJFVQNKQW-KGLIPLIRSA-N 1 2 363.303 3.305 20 30 FGEDLO CC(C)SCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000800868600 724240364 /nfs/dbraw/zinc/24/03/64/724240364.db2.gz GIBKEEOSIDPMRJ-UHFFFAOYSA-N 1 2 367.515 3.490 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000778155843 724304870 /nfs/dbraw/zinc/30/48/70/724304870.db2.gz IWELKLRTMXKAHK-UHFFFAOYSA-N 1 2 356.853 3.344 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801550918 724312608 /nfs/dbraw/zinc/31/26/08/724312608.db2.gz IGZSMRJSMXNWAT-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cc(OC)ccc2Br)cc1 ZINC000809377625 725240937 /nfs/dbraw/zinc/24/09/37/725240937.db2.gz KSEGIYXYXNFRNZ-UHFFFAOYSA-N 1 2 365.227 3.303 20 30 FGEDLO CCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000811461476 725366887 /nfs/dbraw/zinc/36/68/87/725366887.db2.gz LVGUMRHQBVRTDJ-AWEZNQCLSA-N 1 2 350.488 3.236 20 30 FGEDLO CCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000811461476 725366889 /nfs/dbraw/zinc/36/68/89/725366889.db2.gz LVGUMRHQBVRTDJ-AWEZNQCLSA-N 1 2 350.488 3.236 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ncc(Br)cn1 ZINC000814302522 726954962 /nfs/dbraw/zinc/95/49/62/726954962.db2.gz WOFYHSALTSZOGD-NWDGAFQWSA-N 1 2 361.243 3.381 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000820737515 729023182 /nfs/dbraw/zinc/02/31/82/729023182.db2.gz FLAIETMFSHQUKC-MLGOLLRUSA-N 1 2 360.820 3.466 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C#Cc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827709220 729433590 /nfs/dbraw/zinc/43/35/90/729433590.db2.gz UYVNPNUGCMDYSR-SJLPKXTDSA-N 1 2 362.857 3.454 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C#Cc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827709220 729433591 /nfs/dbraw/zinc/43/35/91/729433591.db2.gz UYVNPNUGCMDYSR-SJLPKXTDSA-N 1 2 362.857 3.454 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000829769361 729510396 /nfs/dbraw/zinc/51/03/96/729510396.db2.gz SUVUNRFLTGGSDP-CQSZACIVSA-N 1 2 362.857 3.175 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000829769361 729510400 /nfs/dbraw/zinc/51/04/00/729510400.db2.gz SUVUNRFLTGGSDP-CQSZACIVSA-N 1 2 362.857 3.175 20 30 FGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000842630155 730522118 /nfs/dbraw/zinc/52/21/18/730522118.db2.gz YMJUXWVCSIBYRY-LBPRGKRZSA-N 1 2 365.300 3.321 20 30 FGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000842630155 730522121 /nfs/dbraw/zinc/52/21/21/730522121.db2.gz YMJUXWVCSIBYRY-LBPRGKRZSA-N 1 2 365.300 3.321 20 30 FGEDLO C#CC[C@@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000858334805 732204800 /nfs/dbraw/zinc/20/48/00/732204800.db2.gz GGKPVVJZGFWODK-HNNXBMFYSA-N 1 2 361.442 3.095 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2sccc2CC#N)c1)[NH+]1CCOCC1 ZINC000865174014 733151403 /nfs/dbraw/zinc/15/14/03/733151403.db2.gz MQEWOKANFVJYIT-CQSZACIVSA-N 1 2 355.463 3.460 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876641513 736125698 /nfs/dbraw/zinc/12/56/98/736125698.db2.gz KMKKBXYKZNICAJ-ZDUSSCGKSA-N 1 2 364.877 3.343 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876641513 736125699 /nfs/dbraw/zinc/12/56/99/736125699.db2.gz KMKKBXYKZNICAJ-ZDUSSCGKSA-N 1 2 364.877 3.343 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000876722935 736136625 /nfs/dbraw/zinc/13/66/25/736136625.db2.gz IRRWZQUVKKLNPP-UHFFFAOYSA-N 1 2 360.889 3.268 20 30 FGEDLO C#CCOc1ccccc1C[NH2+]Cc1snc(OC)c1Br ZINC000877046279 736180154 /nfs/dbraw/zinc/18/01/54/736180154.db2.gz KVSCWQMFHQNMSY-UHFFFAOYSA-N 1 2 367.268 3.216 20 30 FGEDLO CC(C)(C)c1csc(CC2(O)CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000879615842 737016624 /nfs/dbraw/zinc/01/66/24/737016624.db2.gz OSKQSGJXFICOMG-OAHLLOKOSA-N 1 2 360.527 3.254 20 30 FGEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000880479873 737179376 /nfs/dbraw/zinc/17/93/76/737179376.db2.gz APYPOYDEFWQFDP-UHFFFAOYSA-N 1 2 374.790 3.148 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899976434 743036101 /nfs/dbraw/zinc/03/61/01/743036101.db2.gz WRCAYTQRNMUMFH-SDNWHVSQSA-N 1 2 354.903 3.195 20 30 FGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(N2CCOCC2)cc1Cl ZINC000903262236 743831623 /nfs/dbraw/zinc/83/16/23/743831623.db2.gz BQDKZQRXMAZKPS-GFCCVEGCSA-N 1 2 362.886 3.356 20 30 FGEDLO CC(=[NH+]NC(=S)NC[C@@H]1CCCO1)c1ccc(N2CCCCC2)cc1 ZINC000916311370 758068903 /nfs/dbraw/zinc/06/89/03/758068903.db2.gz DCAJRZBGEAKGRT-SFHVURJKSA-N 1 2 360.527 3.044 20 30 FGEDLO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cnc1Br ZINC000930541664 760636245 /nfs/dbraw/zinc/63/62/45/760636245.db2.gz NRYQNPFSUAPUPK-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cnc1Br ZINC000930541664 760636248 /nfs/dbraw/zinc/63/62/48/760636248.db2.gz NRYQNPFSUAPUPK-OAHLLOKOSA-N 1 2 373.254 3.073 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000932824475 761254209 /nfs/dbraw/zinc/25/42/09/761254209.db2.gz LAXIDLZXVPXMQK-UHFFFAOYSA-N 1 2 364.314 3.296 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933138595 761329012 /nfs/dbraw/zinc/32/90/12/761329012.db2.gz WUYGFPMXAWAJTK-CYBMUJFWSA-N 1 2 353.235 3.001 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933138595 761329023 /nfs/dbraw/zinc/32/90/23/761329023.db2.gz WUYGFPMXAWAJTK-CYBMUJFWSA-N 1 2 353.235 3.001 20 30 FGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001006118859 765510491 /nfs/dbraw/zinc/51/04/91/765510491.db2.gz LJSNUFSOSISRAI-JKSUJKDBSA-N 1 2 355.320 3.254 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001024704333 766063687 /nfs/dbraw/zinc/06/36/87/766063687.db2.gz KMGALPXKERSCIF-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001024704333 766063696 /nfs/dbraw/zinc/06/36/96/766063696.db2.gz KMGALPXKERSCIF-QRVBRYPASA-N 1 2 362.901 3.487 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001028122110 766112655 /nfs/dbraw/zinc/11/26/55/766112655.db2.gz DRBJTVUXPYUHNZ-BFHYXJOUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001028122110 766112661 /nfs/dbraw/zinc/11/26/61/766112661.db2.gz DRBJTVUXPYUHNZ-BFHYXJOUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001033670036 766221938 /nfs/dbraw/zinc/22/19/38/766221938.db2.gz SZNGUOGDVAOKKX-VHDGCEQUSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001033670036 766221941 /nfs/dbraw/zinc/22/19/41/766221941.db2.gz SZNGUOGDVAOKKX-VHDGCEQUSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001046632449 766597630 /nfs/dbraw/zinc/59/76/30/766597630.db2.gz YKKUQLNLUOZYCA-HHXXYDBFSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001046632449 766597636 /nfs/dbraw/zinc/59/76/36/766597636.db2.gz YKKUQLNLUOZYCA-HHXXYDBFSA-N 1 2 366.864 3.151 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000063754443 212033792 /nfs/dbraw/zinc/03/37/92/212033792.db2.gz HYQZKJJMYSFPOV-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000063754443 212033795 /nfs/dbraw/zinc/03/37/95/212033795.db2.gz HYQZKJJMYSFPOV-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000080925032 493791501 /nfs/dbraw/zinc/79/15/01/493791501.db2.gz CLXVAUNVKAYMIT-LEWJYISDSA-N 1 2 361.445 3.133 20 30 FGEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccccc3C#N)CC2)cs1 ZINC000075887673 493791969 /nfs/dbraw/zinc/79/19/69/493791969.db2.gz HLIXMTOBHFMWAQ-INIZCTEOSA-N 1 2 370.522 3.430 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148236 493832065 /nfs/dbraw/zinc/83/20/65/493832065.db2.gz AJBGIEMNZAOJJW-APWZRJJASA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148236 493832069 /nfs/dbraw/zinc/83/20/69/493832069.db2.gz AJBGIEMNZAOJJW-APWZRJJASA-N 1 2 352.434 3.408 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000580136196 505684451 /nfs/dbraw/zinc/68/44/51/505684451.db2.gz MEYMRHHBXLOUBF-LBPRGKRZSA-N 1 2 362.417 3.222 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)CS(=O)(=O)CC ZINC000580136196 505684454 /nfs/dbraw/zinc/68/44/54/505684454.db2.gz MEYMRHHBXLOUBF-LBPRGKRZSA-N 1 2 362.417 3.222 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029658622 493850291 /nfs/dbraw/zinc/85/02/91/493850291.db2.gz GQDFOVFYPIXMQP-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029658622 493850295 /nfs/dbraw/zinc/85/02/95/493850295.db2.gz GQDFOVFYPIXMQP-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858459 493862740 /nfs/dbraw/zinc/86/27/40/493862740.db2.gz AMQCCQSNWLLYRY-CQSZACIVSA-N 1 2 354.385 3.489 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000029999333 493872739 /nfs/dbraw/zinc/87/27/39/493872739.db2.gz GIUKIMAWHBNITJ-XNQWGTPPSA-N 1 2 366.396 3.059 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214362 493880043 /nfs/dbraw/zinc/88/00/43/493880043.db2.gz LZGVPMCSKURYQS-NSHDSACASA-N 1 2 362.227 3.373 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214362 493880045 /nfs/dbraw/zinc/88/00/45/493880045.db2.gz LZGVPMCSKURYQS-NSHDSACASA-N 1 2 362.227 3.373 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000081514574 493908181 /nfs/dbraw/zinc/90/81/81/493908181.db2.gz CPRJFTIDSJVDCE-HXUWFJFHSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081514574 493908187 /nfs/dbraw/zinc/90/81/87/493908187.db2.gz CPRJFTIDSJVDCE-HXUWFJFHSA-N 1 2 355.482 3.374 20 30 FGEDLO N#Cc1ccccc1OCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000069296907 493952262 /nfs/dbraw/zinc/95/22/62/493952262.db2.gz SSPRKYAFIYMPCR-UHFFFAOYSA-N 1 2 356.451 3.018 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428145 493969413 /nfs/dbraw/zinc/96/94/13/493969413.db2.gz KBRWFUCXSKVIDC-GDBMZVCRSA-N 1 2 356.495 3.441 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000051428145 493969418 /nfs/dbraw/zinc/96/94/18/493969418.db2.gz KBRWFUCXSKVIDC-GDBMZVCRSA-N 1 2 356.495 3.441 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000032079920 493972990 /nfs/dbraw/zinc/97/29/90/493972990.db2.gz RGMHVVDHTHEUKU-UHFFFAOYSA-N 1 2 361.445 3.081 20 30 FGEDLO COc1cc(C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052495500 494030652 /nfs/dbraw/zinc/03/06/52/494030652.db2.gz TXTCKNMYIXFCLK-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000070060157 494041543 /nfs/dbraw/zinc/04/15/43/494041543.db2.gz QOCZDHJHKKKNLR-UHFFFAOYSA-N 1 2 372.513 3.196 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000052916761 494076163 /nfs/dbraw/zinc/07/61/63/494076163.db2.gz MCFGCICCCRDUHF-UHFFFAOYSA-N 1 2 373.460 3.251 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000052916761 494076165 /nfs/dbraw/zinc/07/61/65/494076165.db2.gz MCFGCICCCRDUHF-UHFFFAOYSA-N 1 2 373.460 3.251 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754437 494083824 /nfs/dbraw/zinc/08/38/24/494083824.db2.gz RLWZSWSDWKEBHA-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754437 494083831 /nfs/dbraw/zinc/08/38/31/494083831.db2.gz RLWZSWSDWKEBHA-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO CCc1ccccc1NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754508 494084217 /nfs/dbraw/zinc/08/42/17/494084217.db2.gz PPLAQNLPDCMNCV-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO CCc1ccccc1NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754508 494084218 /nfs/dbraw/zinc/08/42/18/494084218.db2.gz PPLAQNLPDCMNCV-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)ccc1F ZINC000053943631 494176123 /nfs/dbraw/zinc/17/61/23/494176123.db2.gz QZCUZHLLKHTVJW-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)ccc1F ZINC000053943631 494176127 /nfs/dbraw/zinc/17/61/27/494176127.db2.gz QZCUZHLLKHTVJW-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000072560813 494202738 /nfs/dbraw/zinc/20/27/38/494202738.db2.gz XONUYDULSLNFKD-UHFFFAOYSA-N 1 2 362.389 3.027 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000072560813 494202742 /nfs/dbraw/zinc/20/27/42/494202742.db2.gz XONUYDULSLNFKD-UHFFFAOYSA-N 1 2 362.389 3.027 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(CC#N)C4CC4)cc3)cn2c1 ZINC000065894998 494252548 /nfs/dbraw/zinc/25/25/48/494252548.db2.gz QMAKGRKFCGSAJI-UHFFFAOYSA-N 1 2 360.417 3.350 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898025 494278596 /nfs/dbraw/zinc/27/85/96/494278596.db2.gz SZTISXVRUCWWSR-IAGOWNOFSA-N 1 2 350.447 3.028 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898025 494278597 /nfs/dbraw/zinc/27/85/97/494278597.db2.gz SZTISXVRUCWWSR-IAGOWNOFSA-N 1 2 350.447 3.028 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)CC2CC2)C[C@@H](C)O1 ZINC000078492409 494307312 /nfs/dbraw/zinc/30/73/12/494307312.db2.gz WDJSPVKFFDOHHT-IAGOWNOFSA-N 1 2 370.497 3.453 20 30 FGEDLO COc1ccc([C@@H](CNc2ccc(F)cc2C#N)[NH+]2CCOCC2)cc1 ZINC000078601758 494328425 /nfs/dbraw/zinc/32/84/25/494328425.db2.gz OXMDYBQQCGWGPK-HXUWFJFHSA-N 1 2 355.413 3.191 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078676315 494341877 /nfs/dbraw/zinc/34/18/77/494341877.db2.gz RKZPFUTYQIXQTE-GOSISDBHSA-N 1 2 359.514 3.459 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078676315 494341884 /nfs/dbraw/zinc/34/18/84/494341884.db2.gz RKZPFUTYQIXQTE-GOSISDBHSA-N 1 2 359.514 3.459 20 30 FGEDLO C=CCNC(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000055821390 494411260 /nfs/dbraw/zinc/41/12/60/494411260.db2.gz PTUMMGLIFKCWOA-UHFFFAOYSA-N 1 2 360.417 3.100 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000091101622 494534405 /nfs/dbraw/zinc/53/44/05/494534405.db2.gz GVAIAWOHGAUJHL-GOSISDBHSA-N 1 2 356.429 3.301 20 30 FGEDLO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000046518282 494534794 /nfs/dbraw/zinc/53/47/94/494534794.db2.gz XPBUKBYYVMUGQD-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO COCCCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000046518282 494534798 /nfs/dbraw/zinc/53/47/98/494534798.db2.gz XPBUKBYYVMUGQD-UHFFFAOYSA-N 1 2 353.466 3.328 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000056864171 494578859 /nfs/dbraw/zinc/57/88/59/494578859.db2.gz RTFOOQCWAJXXGT-UHFFFAOYSA-N 1 2 354.454 3.054 20 30 FGEDLO CCc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000046945747 494593782 /nfs/dbraw/zinc/59/37/82/494593782.db2.gz XIZGCDDZBFZAGP-UHFFFAOYSA-N 1 2 368.506 3.210 20 30 FGEDLO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000126057688 494622385 /nfs/dbraw/zinc/62/23/85/494622385.db2.gz UZBRZDQLZNUIPK-QGZVFWFLSA-N 1 2 355.463 3.330 20 30 FGEDLO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000126057688 494622393 /nfs/dbraw/zinc/62/23/93/494622393.db2.gz UZBRZDQLZNUIPK-QGZVFWFLSA-N 1 2 355.463 3.330 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCCCCC)CC2)c1C ZINC000108176206 494658874 /nfs/dbraw/zinc/65/88/74/494658874.db2.gz XEKJSYMWEHQHJU-UHFFFAOYSA-N 1 2 373.541 3.492 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000091936888 494727987 /nfs/dbraw/zinc/72/79/87/494727987.db2.gz JERKCKFYOHBMHQ-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000091936888 494727996 /nfs/dbraw/zinc/72/79/96/494727996.db2.gz JERKCKFYOHBMHQ-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO CC(C)c1nc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc[nH+]1 ZINC000110406119 494976506 /nfs/dbraw/zinc/97/65/06/494976506.db2.gz DQLWWKUGHJVWHX-UHFFFAOYSA-N 1 2 358.449 3.346 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128066695 495039964 /nfs/dbraw/zinc/03/99/64/495039964.db2.gz OPGSYPBVHXBHTF-LJQANCHMSA-N 1 2 350.466 3.101 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000122935629 495055728 /nfs/dbraw/zinc/05/57/28/495055728.db2.gz DGYZVSMFCUQXNK-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128411990 495093228 /nfs/dbraw/zinc/09/32/28/495093228.db2.gz IZBWUGUAWUWEBL-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000128411990 495093231 /nfs/dbraw/zinc/09/32/31/495093231.db2.gz IZBWUGUAWUWEBL-HXUWFJFHSA-N 1 2 370.474 3.178 20 30 FGEDLO CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000134482798 495156614 /nfs/dbraw/zinc/15/66/14/495156614.db2.gz RCXRDVZDZZSKEV-UHFFFAOYSA-N 1 2 354.479 3.276 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119732796 495228874 /nfs/dbraw/zinc/22/88/74/495228874.db2.gz SIOXSLKOPLXJOR-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000119732796 495228876 /nfs/dbraw/zinc/22/88/76/495228876.db2.gz SIOXSLKOPLXJOR-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1C#N ZINC000134960641 495231189 /nfs/dbraw/zinc/23/11/89/495231189.db2.gz HIZRUIUMCAKUPD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1C#N ZINC000134960641 495231191 /nfs/dbraw/zinc/23/11/91/495231191.db2.gz HIZRUIUMCAKUPD-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC#Cc2ccccc2Cl)CCO)c1 ZINC000135068602 495247612 /nfs/dbraw/zinc/24/76/12/495247612.db2.gz MBFMSIQOGAZCJX-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC#Cc2ccccc2Cl)CCO)c1 ZINC000135068602 495247617 /nfs/dbraw/zinc/24/76/17/495247617.db2.gz MBFMSIQOGAZCJX-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COC(=O)[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)c1cccc(C#N)c1 ZINC000135159595 495257573 /nfs/dbraw/zinc/25/75/73/495257573.db2.gz CINPZUHHUTTXDV-FOIQADDNSA-N 1 2 352.434 3.249 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124275333 495261748 /nfs/dbraw/zinc/26/17/48/495261748.db2.gz WTGHQBCATSHUDR-NRFANRHFSA-N 1 2 372.513 3.267 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@](C)(O)C2)c1C#N ZINC000124275333 495261753 /nfs/dbraw/zinc/26/17/53/495261753.db2.gz WTGHQBCATSHUDR-NRFANRHFSA-N 1 2 372.513 3.267 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1F ZINC000135213129 495263904 /nfs/dbraw/zinc/26/39/04/495263904.db2.gz APNPLRSBDCETBU-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1F ZINC000135213129 495263906 /nfs/dbraw/zinc/26/39/06/495263906.db2.gz APNPLRSBDCETBU-UHFFFAOYSA-N 1 2 356.397 3.133 20 30 FGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000124414250 495283550 /nfs/dbraw/zinc/28/35/50/495283550.db2.gz NSCSIEZIHXWGEX-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCC#Cc1ccc(F)cc1 ZINC000135546712 495309634 /nfs/dbraw/zinc/30/96/34/495309634.db2.gz YDGWQFKDILTLHI-UHFFFAOYSA-N 1 2 351.425 3.379 20 30 FGEDLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(CC#N)CC2)o1 ZINC000129926548 495315439 /nfs/dbraw/zinc/31/54/39/495315439.db2.gz NFBORTVTSKNFSD-UHFFFAOYSA-N 1 2 361.449 3.082 20 30 FGEDLO Cc1nc(SCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C#N)c(C)c1C ZINC000120296125 495346428 /nfs/dbraw/zinc/34/64/28/495346428.db2.gz MVHNJIHJKMKLKE-MRXNPFEDSA-N 1 2 369.494 3.448 20 30 FGEDLO N#Cc1ccc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000124933450 495366359 /nfs/dbraw/zinc/36/63/59/495366359.db2.gz VQXZSTHGWFDXIE-UHFFFAOYSA-N 1 2 367.474 3.121 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c(F)c1 ZINC000105600830 495375482 /nfs/dbraw/zinc/37/54/82/495375482.db2.gz SLQNOZWIUDLSRZ-LJQANCHMSA-N 1 2 369.465 3.104 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114705771 495411575 /nfs/dbraw/zinc/41/15/75/495411575.db2.gz GBXPIMVWWXTMGG-QGZVFWFLSA-N 1 2 351.450 3.165 20 30 FGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000179366375 495563425 /nfs/dbraw/zinc/56/34/25/495563425.db2.gz WSHCNHSNQLMITA-KOWBDXASSA-N 1 2 352.434 3.259 20 30 FGEDLO CC(C)c1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000179509735 495620513 /nfs/dbraw/zinc/62/05/13/495620513.db2.gz QTCLKKUJAHGQMK-UHFFFAOYSA-N 1 2 350.470 3.317 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000159549875 495756879 /nfs/dbraw/zinc/75/68/79/495756879.db2.gz VUVOMFJMIRBYDN-GOSISDBHSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000159549875 495756883 /nfs/dbraw/zinc/75/68/83/495756883.db2.gz VUVOMFJMIRBYDN-GOSISDBHSA-N 1 2 356.376 3.232 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185977753 495806931 /nfs/dbraw/zinc/80/69/31/495806931.db2.gz OFBSXKCBZNFFMR-QWRGUYRKSA-N 1 2 362.421 3.211 20 30 FGEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1ncc2c(c1C#N)CCC2 ZINC000571756593 505807988 /nfs/dbraw/zinc/80/79/88/505807988.db2.gz WQJOEPCRXIGNTC-SFHVURJKSA-N 1 2 368.506 3.013 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000174234439 495875434 /nfs/dbraw/zinc/87/54/34/495875434.db2.gz CTGLQXJURQKLMJ-KRWDZBQOSA-N 1 2 371.481 3.159 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000186294525 495932751 /nfs/dbraw/zinc/93/27/51/495932751.db2.gz IMUQWBJRCLLLFX-QGZVFWFLSA-N 1 2 365.477 3.454 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000171609800 495947334 /nfs/dbraw/zinc/94/73/34/495947334.db2.gz FKXBWIUIBGZACE-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160528743 495984166 /nfs/dbraw/zinc/98/41/66/495984166.db2.gz CPSHUKFTIMZUSX-UHFFFAOYSA-N 1 2 361.804 3.430 20 30 FGEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160528743 495984169 /nfs/dbraw/zinc/98/41/69/495984169.db2.gz CPSHUKFTIMZUSX-UHFFFAOYSA-N 1 2 361.804 3.430 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(F)c1 ZINC000151930134 495995095 /nfs/dbraw/zinc/99/50/95/495995095.db2.gz YRNSCRBXCMXTTJ-UHFFFAOYSA-N 1 2 367.405 3.488 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)cn21 ZINC000171753667 496022074 /nfs/dbraw/zinc/02/20/74/496022074.db2.gz DDMLCTUKBSMHLF-UHFFFAOYSA-N 1 2 371.347 3.438 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000574627836 505818749 /nfs/dbraw/zinc/81/87/49/505818749.db2.gz IVRVZBPGGASSLZ-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000155748964 496056098 /nfs/dbraw/zinc/05/60/98/496056098.db2.gz LEZXVKPLOPGLGZ-LBPRGKRZSA-N 1 2 372.296 3.335 20 30 FGEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000155748964 496056102 /nfs/dbraw/zinc/05/61/02/496056102.db2.gz LEZXVKPLOPGLGZ-LBPRGKRZSA-N 1 2 372.296 3.335 20 30 FGEDLO C=CC[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC000186726939 496124395 /nfs/dbraw/zinc/12/43/95/496124395.db2.gz UVTVEFOJDABDNM-PXNSSMCTSA-N 1 2 365.477 3.283 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1C ZINC000177605083 496129631 /nfs/dbraw/zinc/12/96/31/496129631.db2.gz MVFDMHCQAKGKJU-FQEVSTJZSA-N 1 2 356.466 3.148 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1C ZINC000177605083 496129635 /nfs/dbraw/zinc/12/96/35/496129635.db2.gz MVFDMHCQAKGKJU-FQEVSTJZSA-N 1 2 356.466 3.148 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186743086 496131679 /nfs/dbraw/zinc/13/16/79/496131679.db2.gz NSWNJOXIFYLPEZ-NSHDSACASA-N 1 2 367.400 3.312 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000571847605 505826950 /nfs/dbraw/zinc/82/69/50/505826950.db2.gz WDBXUCYLGQHIIQ-FRFSOERESA-N 1 2 354.410 3.007 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000571847605 505826953 /nfs/dbraw/zinc/82/69/53/505826953.db2.gz WDBXUCYLGQHIIQ-FRFSOERESA-N 1 2 354.410 3.007 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)ccc1C ZINC000183939339 496169195 /nfs/dbraw/zinc/16/91/95/496169195.db2.gz BVFHXKWNOHOSJZ-KRWDZBQOSA-N 1 2 363.461 3.394 20 30 FGEDLO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(Br)cc1O ZINC000172119810 496173844 /nfs/dbraw/zinc/17/38/44/496173844.db2.gz AHJUKUFKMAMVGX-UHFFFAOYSA-N 1 2 365.202 3.464 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186923841 496213919 /nfs/dbraw/zinc/21/39/19/496213919.db2.gz DMEXDPXIBFNWRV-KUHUBIRLSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c1C#N ZINC000186923841 496213923 /nfs/dbraw/zinc/21/39/23/496213923.db2.gz DMEXDPXIBFNWRV-KUHUBIRLSA-N 1 2 372.513 3.123 20 30 FGEDLO CC(C)n1ccc(CO[NH+]=C(N)c2cccc(OCc3cccnc3)c2)n1 ZINC000172330994 496256653 /nfs/dbraw/zinc/25/66/53/496256653.db2.gz GNJINVGKTATOSU-UHFFFAOYSA-N 1 2 365.437 3.275 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C#N)c1C ZINC000156558497 496278748 /nfs/dbraw/zinc/27/87/48/496278748.db2.gz QFFLBQDIMPTPCR-HOCLYGCPSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C#N)c1C ZINC000156558497 496278753 /nfs/dbraw/zinc/27/87/53/496278753.db2.gz QFFLBQDIMPTPCR-HOCLYGCPSA-N 1 2 373.478 3.356 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000178011542 496285522 /nfs/dbraw/zinc/28/55/22/496285522.db2.gz VIDDVFLBOLTSDU-UHFFFAOYSA-N 1 2 352.413 3.241 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(C#N)c2F)CC1 ZINC000574702611 505836377 /nfs/dbraw/zinc/83/63/77/505836377.db2.gz CEKGFPUMCCTMKK-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(C#N)c2F)CC1 ZINC000574702611 505836379 /nfs/dbraw/zinc/83/63/79/505836379.db2.gz CEKGFPUMCCTMKK-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCc1cc(C#N)ccc1F ZINC000175333553 496344492 /nfs/dbraw/zinc/34/44/92/496344492.db2.gz URHURATUNWOPPU-UHFFFAOYSA-N 1 2 365.412 3.245 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000156881588 496355716 /nfs/dbraw/zinc/35/57/16/496355716.db2.gz RCWJBGJBKIJOMG-OAQYLSRUSA-N 1 2 366.486 3.484 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000156881588 496355721 /nfs/dbraw/zinc/35/57/21/496355721.db2.gz RCWJBGJBKIJOMG-OAQYLSRUSA-N 1 2 366.486 3.484 20 30 FGEDLO Cc1nc(C)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000172746452 496413900 /nfs/dbraw/zinc/41/39/00/496413900.db2.gz SEYQLWCNOBYCBA-UHFFFAOYSA-N 1 2 369.450 3.202 20 30 FGEDLO Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000181683389 496501519 /nfs/dbraw/zinc/50/15/19/496501519.db2.gz DKCWSSXLDBTYAY-UHFFFAOYSA-N 1 2 372.432 3.395 20 30 FGEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000187693554 496537684 /nfs/dbraw/zinc/53/76/84/496537684.db2.gz JTOXDHFWJZPBGI-UHFFFAOYSA-N 1 2 373.460 3.252 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000157807745 496559730 /nfs/dbraw/zinc/55/97/30/496559730.db2.gz KJAANGLWYJJELS-IERDGZPVSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000157807745 496559733 /nfs/dbraw/zinc/55/97/33/496559733.db2.gz KJAANGLWYJJELS-IERDGZPVSA-N 1 2 352.434 3.408 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187863009 496599669 /nfs/dbraw/zinc/59/96/69/496599669.db2.gz SVLJXVYGPWLONN-MGPUTAFESA-N 1 2 366.452 3.274 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187863009 496599673 /nfs/dbraw/zinc/59/96/73/496599673.db2.gz SVLJXVYGPWLONN-MGPUTAFESA-N 1 2 366.452 3.274 20 30 FGEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153855535 496603809 /nfs/dbraw/zinc/60/38/09/496603809.db2.gz XZBKJHIOHWMRHB-NQIIRXRSSA-N 1 2 368.525 3.048 20 30 FGEDLO N#Cc1ccccc1Cn1cccc1CNc1ccc[nH+]c1N1CCOCC1 ZINC000187900560 496614151 /nfs/dbraw/zinc/61/41/51/496614151.db2.gz UXCHBIYZKDMMHG-UHFFFAOYSA-N 1 2 373.460 3.252 20 30 FGEDLO COC(=O)[C@H]([NH2+]C[C@@H]1CCCc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000164826793 496634801 /nfs/dbraw/zinc/63/48/01/496634801.db2.gz KNSKDMHJGDYYHF-GHTZIAJQSA-N 1 2 364.445 3.491 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185088850 496653935 /nfs/dbraw/zinc/65/39/35/496653935.db2.gz FBWUEWBAZFHPNZ-LBPRGKRZSA-N 1 2 365.368 3.037 20 30 FGEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C1CC1 ZINC000268602562 496744678 /nfs/dbraw/zinc/74/46/78/496744678.db2.gz VEBYCDQYQZJQLH-VQTJNVASSA-N 1 2 368.868 3.222 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(F)c1C#N ZINC000188338060 496756523 /nfs/dbraw/zinc/75/65/23/496756523.db2.gz JVBUEQQJPLHUIB-UHFFFAOYSA-N 1 2 366.440 3.471 20 30 FGEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n2)cc1 ZINC000273276864 496761776 /nfs/dbraw/zinc/76/17/76/496761776.db2.gz GAJHETPBLYWXJI-XOBRGWDASA-N 1 2 369.469 3.004 20 30 FGEDLO Cc1c(Cl)cnc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1C#N ZINC000273319287 496774008 /nfs/dbraw/zinc/77/40/08/496774008.db2.gz JWGRWVQLTPLLRS-GFCCVEGCSA-N 1 2 357.845 3.147 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 ZINC000188408276 496780420 /nfs/dbraw/zinc/78/04/20/496780420.db2.gz VZVFZDRIZQZFEP-UHFFFAOYSA-N 1 2 360.461 3.292 20 30 FGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000273398816 496795188 /nfs/dbraw/zinc/79/51/88/496795188.db2.gz QGXQRKJBCBBXRV-CQSZACIVSA-N 1 2 364.405 3.498 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247286886 496824822 /nfs/dbraw/zinc/82/48/22/496824822.db2.gz TYCZTWSEUPYEIW-NVXWUHKLSA-N 1 2 364.536 3.110 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247286886 496824824 /nfs/dbraw/zinc/82/48/24/496824824.db2.gz TYCZTWSEUPYEIW-NVXWUHKLSA-N 1 2 364.536 3.110 20 30 FGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000264257765 496853875 /nfs/dbraw/zinc/85/38/75/496853875.db2.gz ZMDSKDIJJYHCFT-GFCCVEGCSA-N 1 2 373.363 3.023 20 30 FGEDLO CCO[C@H](C)c1nc(CN2CC[NH+](CC#Cc3ccccc3)CC2)cs1 ZINC000192043981 496974090 /nfs/dbraw/zinc/97/40/90/496974090.db2.gz BGPZABADPYMNRH-GOSISDBHSA-N 1 2 369.534 3.410 20 30 FGEDLO C[C@@]([NH2+]Cc1ccc(C#N)c(F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000192114440 496998289 /nfs/dbraw/zinc/99/82/89/496998289.db2.gz DQIFNOKDQNOPJU-KRWDZBQOSA-N 1 2 365.330 3.206 20 30 FGEDLO C=CCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000274464040 497103150 /nfs/dbraw/zinc/10/31/50/497103150.db2.gz AXBIPNHXAMOSGU-UHFFFAOYSA-N 1 2 366.465 3.297 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192469364 497124354 /nfs/dbraw/zinc/12/43/54/497124354.db2.gz XNZSOFOYLRABAN-UHFFFAOYSA-N 1 2 365.408 3.231 20 30 FGEDLO CC[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)C(F)(F)F ZINC000189493422 497137265 /nfs/dbraw/zinc/13/72/65/497137265.db2.gz NURGSXAFZHCOON-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)C(F)(F)F ZINC000189493422 497137268 /nfs/dbraw/zinc/13/72/68/497137268.db2.gz NURGSXAFZHCOON-LBPRGKRZSA-N 1 2 351.166 3.066 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2OC)o1 ZINC000274831258 497177539 /nfs/dbraw/zinc/17/75/39/497177539.db2.gz FKJHBYAHAIXJPU-CQSZACIVSA-N 1 2 372.421 3.245 20 30 FGEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2OC)o1 ZINC000274831258 497177544 /nfs/dbraw/zinc/17/75/44/497177544.db2.gz FKJHBYAHAIXJPU-CQSZACIVSA-N 1 2 372.421 3.245 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271010192 497245665 /nfs/dbraw/zinc/24/56/65/497245665.db2.gz PHOAFUUTFWRTFT-MOPGFXCFSA-N 1 2 368.506 3.377 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000275226841 497260096 /nfs/dbraw/zinc/26/00/96/497260096.db2.gz CPMFPWFLQYQUCM-WMZOPIPTSA-N 1 2 367.453 3.263 20 30 FGEDLO Cc1nn2c(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)c(C)nc2s1 ZINC000271121438 497268720 /nfs/dbraw/zinc/26/87/20/497268720.db2.gz IGCYYKTZJXHQCG-UHFFFAOYSA-N 1 2 367.478 3.323 20 30 FGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271138052 497271378 /nfs/dbraw/zinc/27/13/78/497271378.db2.gz ASSDAQGZVVTYOL-UHFFFAOYSA-N 1 2 351.372 3.480 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)cc1 ZINC000271138052 497271381 /nfs/dbraw/zinc/27/13/81/497271381.db2.gz ASSDAQGZVVTYOL-UHFFFAOYSA-N 1 2 351.372 3.480 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1C ZINC000252061047 497296484 /nfs/dbraw/zinc/29/64/84/497296484.db2.gz ZXCBQTWJDIGNIV-HLLBOEOZSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[C@H]1C ZINC000252061047 497296487 /nfs/dbraw/zinc/29/64/87/497296487.db2.gz ZXCBQTWJDIGNIV-HLLBOEOZSA-N 1 2 361.511 3.376 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)n2c1 ZINC000193420990 497376042 /nfs/dbraw/zinc/37/60/42/497376042.db2.gz UOHPUZWKEUYMDR-UHFFFAOYSA-N 1 2 362.408 3.440 20 30 FGEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152195 497377885 /nfs/dbraw/zinc/37/78/85/497377885.db2.gz VRVFRJRCMJINHB-QZTJIDSGSA-N 1 2 356.426 3.023 20 30 FGEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152195 497377887 /nfs/dbraw/zinc/37/78/87/497377887.db2.gz VRVFRJRCMJINHB-QZTJIDSGSA-N 1 2 356.426 3.023 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000266734128 497408383 /nfs/dbraw/zinc/40/83/83/497408383.db2.gz MNLYGLMAVHASQX-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000266734128 497408391 /nfs/dbraw/zinc/40/83/91/497408391.db2.gz MNLYGLMAVHASQX-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO N#Cc1cc2c(nc1N1CCC(c3[nH]c4ccccc4[nH+]3)CC1)CCOC2 ZINC000569315031 505905165 /nfs/dbraw/zinc/90/51/65/505905165.db2.gz LSDKEIZKVVKBGY-UHFFFAOYSA-N 1 2 359.433 3.286 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(C(F)(F)F)s3)CC2)cc1 ZINC000279423799 497435881 /nfs/dbraw/zinc/43/58/81/497435881.db2.gz PJIKMHIGTMHSFR-UHFFFAOYSA-N 1 2 366.412 3.351 20 30 FGEDLO C=C[C@@H](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC000245697157 497506582 /nfs/dbraw/zinc/50/65/82/497506582.db2.gz YNFMXIOFCVQVMM-MJGOQNOKSA-N 1 2 365.477 3.283 20 30 FGEDLO C=C(CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC)C(=O)OCC ZINC000276714819 497634460 /nfs/dbraw/zinc/63/44/60/497634460.db2.gz YXTZSXXDGOICHJ-AWEZNQCLSA-N 1 2 354.520 3.302 20 30 FGEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246180723 497650349 /nfs/dbraw/zinc/65/03/49/497650349.db2.gz KFQMBZLNWFQNRB-MAUKXSAKSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246180723 497650355 /nfs/dbraw/zinc/65/03/55/497650355.db2.gz KFQMBZLNWFQNRB-MAUKXSAKSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272556694 497661848 /nfs/dbraw/zinc/66/18/48/497661848.db2.gz LIGNWRPHKRZJKN-LBPRGKRZSA-N 1 2 350.260 3.402 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272556691 497662004 /nfs/dbraw/zinc/66/20/04/497662004.db2.gz LIGNWRPHKRZJKN-GFCCVEGCSA-N 1 2 350.260 3.402 20 30 FGEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272627628 497683024 /nfs/dbraw/zinc/68/30/24/497683024.db2.gz JYPBAKSXVIPIAE-IBGZPJMESA-N 1 2 360.417 3.376 20 30 FGEDLO N#CCc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000272627628 497683026 /nfs/dbraw/zinc/68/30/26/497683026.db2.gz JYPBAKSXVIPIAE-IBGZPJMESA-N 1 2 360.417 3.376 20 30 FGEDLO Cc1cccc(COc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)c1 ZINC000578364961 505923105 /nfs/dbraw/zinc/92/31/05/505923105.db2.gz OVUDKEIWXBRZNN-OAQYLSRUSA-N 1 2 351.450 3.148 20 30 FGEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671500 497697747 /nfs/dbraw/zinc/69/77/47/497697747.db2.gz QHRRBBQBXDRBPX-ZWKOTPCHSA-N 1 2 357.454 3.167 20 30 FGEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671500 497697751 /nfs/dbraw/zinc/69/77/51/497697751.db2.gz QHRRBBQBXDRBPX-ZWKOTPCHSA-N 1 2 357.454 3.167 20 30 FGEDLO CC(C)[C@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272678028 497698444 /nfs/dbraw/zinc/69/84/44/497698444.db2.gz AWIJACGHHDIGSN-NHCUHLMSSA-N 1 2 369.509 3.044 20 30 FGEDLO C=CCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194605639 497716424 /nfs/dbraw/zinc/71/64/24/497716424.db2.gz MFNXMFKIDYJQOM-HZPDHXFCSA-N 1 2 363.527 3.337 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683928 497808446 /nfs/dbraw/zinc/80/84/46/497808446.db2.gz IQZWZJLQASRWDX-AUUYWEPGSA-N 1 2 367.449 3.341 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683928 497808447 /nfs/dbraw/zinc/80/84/47/497808447.db2.gz IQZWZJLQASRWDX-AUUYWEPGSA-N 1 2 367.449 3.341 20 30 FGEDLO O=C(C[NH+]1CCN(c2ncnc3ccsc32)CC1)NC1CCCCCC1 ZINC000329541590 497823871 /nfs/dbraw/zinc/82/38/71/497823871.db2.gz DMTZQXNRWGQXSV-UHFFFAOYSA-N 1 2 373.526 3.493 20 30 FGEDLO O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000329539854 497824229 /nfs/dbraw/zinc/82/42/29/497824229.db2.gz CPXIPOMNQSYEBK-HNAYVOBHSA-N 1 2 351.450 3.496 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329668877 497863266 /nfs/dbraw/zinc/86/32/66/497863266.db2.gz SGAOMPOLYNBDKZ-CYBMUJFWSA-N 1 2 368.389 3.265 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329668877 497863273 /nfs/dbraw/zinc/86/32/73/497863273.db2.gz SGAOMPOLYNBDKZ-CYBMUJFWSA-N 1 2 368.389 3.265 20 30 FGEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)CCC2 ZINC000329707944 497876190 /nfs/dbraw/zinc/87/61/90/497876190.db2.gz LXOJAZMGXGXMFV-KRWDZBQOSA-N 1 2 358.486 3.218 20 30 FGEDLO N#Cc1ccc(N2CCC(C(=O)Nc3c[nH+]c4n3CCCC4)CC2)c(F)c1 ZINC000572334790 505944413 /nfs/dbraw/zinc/94/44/13/505944413.db2.gz POZRXDMEJSXRAN-UHFFFAOYSA-N 1 2 367.428 3.085 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)c1C#N ZINC000329787635 497901586 /nfs/dbraw/zinc/90/15/86/497901586.db2.gz RHXIOAKBEWDJPC-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329806194 497908312 /nfs/dbraw/zinc/90/83/12/497908312.db2.gz AZEZMCDHEWBZAO-IUODEOHRSA-N 1 2 367.881 3.375 20 30 FGEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329806194 497908317 /nfs/dbraw/zinc/90/83/17/497908317.db2.gz AZEZMCDHEWBZAO-IUODEOHRSA-N 1 2 367.881 3.375 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280824083 497912022 /nfs/dbraw/zinc/91/20/22/497912022.db2.gz NTPJMQRCEZMWKK-AUUYWEPGSA-N 1 2 360.454 3.270 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[C@@H]1O ZINC000329823918 497914226 /nfs/dbraw/zinc/91/42/26/497914226.db2.gz QKWLKYVGIAHMEI-KDOFPFPSSA-N 1 2 354.454 3.135 20 30 FGEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1[C@@H]1CCCO1 ZINC000329856476 497930123 /nfs/dbraw/zinc/93/01/23/497930123.db2.gz UVHJUDJANAOUQA-QFBILLFUSA-N 1 2 360.454 3.325 20 30 FGEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1[C@@H]1CCCO1 ZINC000329856476 497930128 /nfs/dbraw/zinc/93/01/28/497930128.db2.gz UVHJUDJANAOUQA-QFBILLFUSA-N 1 2 360.454 3.325 20 30 FGEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000329861752 497931325 /nfs/dbraw/zinc/93/13/25/497931325.db2.gz QMXFTKMEDZGEIN-DLBZAZTESA-N 1 2 362.518 3.408 20 30 FGEDLO CC(C)(C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)N1CCOCC1 ZINC000329870916 497935282 /nfs/dbraw/zinc/93/52/82/497935282.db2.gz AIWQGCPZZBCKFF-UHFFFAOYSA-N 1 2 356.470 3.462 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000280904723 497943012 /nfs/dbraw/zinc/94/30/12/497943012.db2.gz RMBIYELOZLWHSC-MRXNPFEDSA-N 1 2 370.478 3.043 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000280904723 497943018 /nfs/dbraw/zinc/94/30/18/497943018.db2.gz RMBIYELOZLWHSC-MRXNPFEDSA-N 1 2 370.478 3.043 20 30 FGEDLO Cc1csc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1Cl ZINC000329896239 497944520 /nfs/dbraw/zinc/94/45/20/497944520.db2.gz CKHNVVDGDQPTPN-RYUDHWBXSA-N 1 2 370.881 3.361 20 30 FGEDLO CCN1CCN(CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329919292 497952166 /nfs/dbraw/zinc/95/21/66/497952166.db2.gz ROIMVLJCYCIFBK-KRWDZBQOSA-N 1 2 355.486 3.302 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329920741 497954261 /nfs/dbraw/zinc/95/42/61/497954261.db2.gz FEUOZIKIEJPBSH-DZKIICNBSA-N 1 2 366.437 3.059 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329920741 497954267 /nfs/dbraw/zinc/95/42/67/497954267.db2.gz FEUOZIKIEJPBSH-DZKIICNBSA-N 1 2 366.437 3.059 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329930805 497956187 /nfs/dbraw/zinc/95/61/87/497956187.db2.gz ZWUCLNZXAJLYEM-AEFFLSMTSA-N 1 2 355.486 3.382 20 30 FGEDLO CCN1CCN(C(=O)NCCc2c(C)cc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329945094 497964150 /nfs/dbraw/zinc/96/41/50/497964150.db2.gz FOINVTSIVZAYKX-LJQANCHMSA-N 1 2 369.513 3.170 20 30 FGEDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329953495 497968252 /nfs/dbraw/zinc/96/82/52/497968252.db2.gz JJTYOWZNJVNGML-ARFHVFGLSA-N 1 2 365.547 3.067 20 30 FGEDLO CCN1CCN(C(=O)NCC(C)(C)c2cccc(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329995052 497983605 /nfs/dbraw/zinc/98/36/05/497983605.db2.gz MUAWORAWPOGDER-KRWDZBQOSA-N 1 2 373.476 3.119 20 30 FGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000330040294 498000315 /nfs/dbraw/zinc/00/03/15/498000315.db2.gz CIVLGCZMZOKCRB-ZACQAIPSSA-N 1 2 359.518 3.112 20 30 FGEDLO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330040294 498000321 /nfs/dbraw/zinc/00/03/21/498000321.db2.gz CIVLGCZMZOKCRB-ZACQAIPSSA-N 1 2 359.518 3.112 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330062643 498007737 /nfs/dbraw/zinc/00/77/37/498007737.db2.gz AXIMDLQYEJVLIZ-WSTZPKSXSA-N 1 2 362.445 3.256 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330062643 498007742 /nfs/dbraw/zinc/00/77/42/498007742.db2.gz AXIMDLQYEJVLIZ-WSTZPKSXSA-N 1 2 362.445 3.256 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)sc1C ZINC000330098944 498019904 /nfs/dbraw/zinc/01/99/04/498019904.db2.gz CLSLMTLPSRQSFJ-PLQHRBFRSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)sc1C ZINC000330098944 498019910 /nfs/dbraw/zinc/01/99/10/498019910.db2.gz CLSLMTLPSRQSFJ-PLQHRBFRSA-N 1 2 353.488 3.006 20 30 FGEDLO CC(C)n1ncc2c1C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC2 ZINC000330118143 498028488 /nfs/dbraw/zinc/02/84/88/498028488.db2.gz YBOUDGHLKITSII-CVEARBPZSA-N 1 2 356.474 3.186 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)[S@]1=O ZINC000289176820 498048269 /nfs/dbraw/zinc/04/82/69/498048269.db2.gz AARWCFPWFZAPMF-XVNUGVHUSA-N 1 2 364.511 3.109 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H](C)[S@]1=O ZINC000289176820 498048273 /nfs/dbraw/zinc/04/82/73/498048273.db2.gz AARWCFPWFZAPMF-XVNUGVHUSA-N 1 2 364.511 3.109 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CCOC2(CCCC2)C1 ZINC000330209971 498062545 /nfs/dbraw/zinc/06/25/45/498062545.db2.gz IAAIPCMSXPNWLG-KRWDZBQOSA-N 1 2 354.454 3.368 20 30 FGEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000330234145 498073243 /nfs/dbraw/zinc/07/32/43/498073243.db2.gz SMBAEPJKAIPPPL-HRCADAONSA-N 1 2 350.507 3.191 20 30 FGEDLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000330249398 498078727 /nfs/dbraw/zinc/07/87/27/498078727.db2.gz GPKLHQFMMVHLHP-YOEHRIQHSA-N 1 2 364.453 3.134 20 30 FGEDLO Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000330249398 498078732 /nfs/dbraw/zinc/07/87/32/498078732.db2.gz GPKLHQFMMVHLHP-YOEHRIQHSA-N 1 2 364.453 3.134 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000330267196 498086958 /nfs/dbraw/zinc/08/69/58/498086958.db2.gz IADBKBMHMDIXDR-VAMGGRTRSA-N 1 2 358.482 3.222 20 30 FGEDLO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000330267196 498086964 /nfs/dbraw/zinc/08/69/64/498086964.db2.gz IADBKBMHMDIXDR-VAMGGRTRSA-N 1 2 358.482 3.222 20 30 FGEDLO Cc1cccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330336333 498108833 /nfs/dbraw/zinc/10/88/33/498108833.db2.gz SHXNCQKLVFEUIZ-SUMDDJOVSA-N 1 2 356.470 3.256 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000285507796 498112187 /nfs/dbraw/zinc/11/21/87/498112187.db2.gz YBAATAHIXGZPJH-KRWDZBQOSA-N 1 2 359.499 3.019 20 30 FGEDLO COc1c(Cl)cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000330446190 498133801 /nfs/dbraw/zinc/13/38/01/498133801.db2.gz VXNVCHPIAMNZFX-SNVBAGLBSA-N 1 2 362.257 3.049 20 30 FGEDLO Cc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000578673829 505994319 /nfs/dbraw/zinc/99/43/19/505994319.db2.gz MVDAPBBXHACBND-MRXNPFEDSA-N 1 2 357.479 3.037 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289543003 498187336 /nfs/dbraw/zinc/18/73/36/498187336.db2.gz MOAUBDZNJFLMGF-RDJZCZTQSA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(C#N)c1C ZINC000289543003 498187341 /nfs/dbraw/zinc/18/73/41/498187341.db2.gz MOAUBDZNJFLMGF-RDJZCZTQSA-N 1 2 359.495 3.209 20 30 FGEDLO Cc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1 ZINC000578673829 505994320 /nfs/dbraw/zinc/99/43/20/505994320.db2.gz MVDAPBBXHACBND-MRXNPFEDSA-N 1 2 357.479 3.037 20 30 FGEDLO COc1cccc(OCC[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000301731654 498243438 /nfs/dbraw/zinc/24/34/38/498243438.db2.gz YBMIPAZBSWVDEH-UHFFFAOYSA-N 1 2 373.403 3.046 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)[C@H]1C ZINC000331336256 498304766 /nfs/dbraw/zinc/30/47/66/498304766.db2.gz VBBBHAIZCDHLKI-VYDXJSESSA-N 1 2 366.527 3.151 20 30 FGEDLO C#Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000297072942 498312738 /nfs/dbraw/zinc/31/27/38/498312738.db2.gz ZAMWITGMPWDQOS-UHFFFAOYSA-N 1 2 362.477 3.290 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000281967001 498338319 /nfs/dbraw/zinc/33/83/19/498338319.db2.gz YGTKTOKSZFHNIE-GOSISDBHSA-N 1 2 352.438 3.102 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1cc[nH]n1)c1cccc(Cl)c1 ZINC000286267960 498345049 /nfs/dbraw/zinc/34/50/49/498345049.db2.gz TXLFKKVNZHMFOD-KRWDZBQOSA-N 1 2 357.845 3.147 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1cccc(Cl)c1 ZINC000286267960 498345057 /nfs/dbraw/zinc/34/50/57/498345057.db2.gz TXLFKKVNZHMFOD-KRWDZBQOSA-N 1 2 357.845 3.147 20 30 FGEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000293469901 498395535 /nfs/dbraw/zinc/39/55/35/498395535.db2.gz QWJOYPKXHPHLMH-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000293469901 498395543 /nfs/dbraw/zinc/39/55/43/498395543.db2.gz QWJOYPKXHPHLMH-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302094252 498403841 /nfs/dbraw/zinc/40/38/41/498403841.db2.gz NITHTJUMLNGWIX-AWEZNQCLSA-N 1 2 367.403 3.367 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365404373 498448984 /nfs/dbraw/zinc/44/89/84/498448984.db2.gz POFVEBZRFDICMX-INIZCTEOSA-N 1 2 372.538 3.316 20 30 FGEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365427183 498462268 /nfs/dbraw/zinc/46/22/68/498462268.db2.gz XLWWXICQTZZQPM-LBPRGKRZSA-N 1 2 363.780 3.293 20 30 FGEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1Cl ZINC000365427183 498462273 /nfs/dbraw/zinc/46/22/73/498462273.db2.gz XLWWXICQTZZQPM-LBPRGKRZSA-N 1 2 363.780 3.293 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000286741226 498495029 /nfs/dbraw/zinc/49/50/29/498495029.db2.gz WEYGDHQNBSVZDS-UHFFFAOYSA-N 1 2 366.465 3.246 20 30 FGEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000581698743 506046775 /nfs/dbraw/zinc/04/67/75/506046775.db2.gz ULXVEBHHJQZWGP-OAHLLOKOSA-N 1 2 369.494 3.357 20 30 FGEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000581698743 506046777 /nfs/dbraw/zinc/04/67/77/506046777.db2.gz ULXVEBHHJQZWGP-OAHLLOKOSA-N 1 2 369.494 3.357 20 30 FGEDLO N#CCCOCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000293892453 498524550 /nfs/dbraw/zinc/52/45/50/498524550.db2.gz VHNBZONUNIWORG-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO C=C(CNC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000286877265 498538572 /nfs/dbraw/zinc/53/85/72/498538572.db2.gz CNTQNRSZNWEIQY-UHFFFAOYSA-N 1 2 351.450 3.354 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Sc3ccccn3)CC2)c(C#N)c1C ZINC000365786807 498640376 /nfs/dbraw/zinc/64/03/76/498640376.db2.gz UZNSNSZZQWPIET-UHFFFAOYSA-N 1 2 370.478 3.358 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C#N)cc1N(C)C ZINC000332431675 498686330 /nfs/dbraw/zinc/68/63/30/498686330.db2.gz ZIJXZKCKDGVDAA-UHFFFAOYSA-N 1 2 352.442 3.067 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000579015009 506075141 /nfs/dbraw/zinc/07/51/41/506075141.db2.gz ZTHAMRPFAXWSNI-SFHVURJKSA-N 1 2 358.829 3.101 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1 ZINC000298387657 498752905 /nfs/dbraw/zinc/75/29/05/498752905.db2.gz JGEQWYQZMBALMS-RRQGHBQHSA-N 1 2 355.417 3.030 20 30 FGEDLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705096 498855188 /nfs/dbraw/zinc/85/51/88/498855188.db2.gz IKIPRLNYXFAPKY-JSGCOSHPSA-N 1 2 366.446 3.266 20 30 FGEDLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705096 498855194 /nfs/dbraw/zinc/85/51/94/498855194.db2.gz IKIPRLNYXFAPKY-JSGCOSHPSA-N 1 2 366.446 3.266 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000298789695 498878786 /nfs/dbraw/zinc/87/87/86/498878786.db2.gz QVSXQIBPLSXIJF-RISCZKNCSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000298789695 498878792 /nfs/dbraw/zinc/87/87/92/498878792.db2.gz QVSXQIBPLSXIJF-RISCZKNCSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCN(c3ccccc3)C1)CCC2 ZINC000328644012 498887153 /nfs/dbraw/zinc/88/71/53/498887153.db2.gz FSBNAGPCOTVSPP-MSOLQXFVSA-N 1 2 367.497 3.099 20 30 FGEDLO Cc1csc([C@H](NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C2CC2)n1 ZINC000328658881 498893446 /nfs/dbraw/zinc/89/34/46/498893446.db2.gz RVRHYDYHSADZEG-HUUCEWRRSA-N 1 2 359.499 3.489 20 30 FGEDLO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)Cc1cn3ccccc3[nH+]1)C2 ZINC000328713834 498911541 /nfs/dbraw/zinc/91/15/41/498911541.db2.gz CUNFRQWKCQSCKC-CQSZACIVSA-N 1 2 351.454 3.342 20 30 FGEDLO O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328733517 498919144 /nfs/dbraw/zinc/91/91/44/498919144.db2.gz YCCPDMAENRRSNQ-BEFAXECRSA-N 1 2 359.857 3.457 20 30 FGEDLO C=C(C)Cn1c(N2CC[NH+]([C@@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC000328738651 498921955 /nfs/dbraw/zinc/92/19/55/498921955.db2.gz HNINXANICNWBHY-HNNXBMFYSA-N 1 2 374.558 3.491 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C4CCCC4)n3)c[nH+]2)CCO1 ZINC000328778635 498935330 /nfs/dbraw/zinc/93/53/30/498935330.db2.gz GJGOHJCEMTTYHD-CQSZACIVSA-N 1 2 370.453 3.457 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328780330 498937187 /nfs/dbraw/zinc/93/71/87/498937187.db2.gz MLSCCERSBYMISL-IUODEOHRSA-N 1 2 360.458 3.500 20 30 FGEDLO C[C@@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000328936373 498992075 /nfs/dbraw/zinc/99/20/75/498992075.db2.gz QRBXNHRZZOGRKO-FGTMMUONSA-N 1 2 357.498 3.159 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)COC2)C1CCOCC1 ZINC000328969548 499001505 /nfs/dbraw/zinc/00/15/05/499001505.db2.gz ATKFNFHHEQJAOR-SFHVURJKSA-N 1 2 355.438 3.406 20 30 FGEDLO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000295395836 499004564 /nfs/dbraw/zinc/00/45/64/499004564.db2.gz YVTGDQTZOFUZIC-SFHVURJKSA-N 1 2 363.461 3.003 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)N(C)CC2)C1CCOCC1 ZINC000328977959 499005550 /nfs/dbraw/zinc/00/55/50/499005550.db2.gz DLXDOPOQTXGKSU-LJQANCHMSA-N 1 2 368.481 3.368 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000366621466 499007501 /nfs/dbraw/zinc/00/75/01/499007501.db2.gz SVZDDLVGSXBMNF-MSOLQXFVSA-N 1 2 350.422 3.072 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC2=CCCCC2)CCC(=O)N1C1CC1 ZINC000329033157 499021306 /nfs/dbraw/zinc/02/13/06/499021306.db2.gz QJJYDOHJLINDRR-OXQOHEQNSA-N 1 2 356.470 3.462 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cs1 ZINC000329104447 499043017 /nfs/dbraw/zinc/04/30/17/499043017.db2.gz DMVUGORJVBXGBL-MSOLQXFVSA-N 1 2 372.494 3.069 20 30 FGEDLO Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cs1 ZINC000329104447 499043022 /nfs/dbraw/zinc/04/30/22/499043022.db2.gz DMVUGORJVBXGBL-MSOLQXFVSA-N 1 2 372.494 3.069 20 30 FGEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000329164013 499060608 /nfs/dbraw/zinc/06/06/08/499060608.db2.gz GTSRAEGUJDKYFJ-ZDUSSCGKSA-N 1 2 361.442 3.178 20 30 FGEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000329164013 499060611 /nfs/dbraw/zinc/06/06/11/499060611.db2.gz GTSRAEGUJDKYFJ-ZDUSSCGKSA-N 1 2 361.442 3.178 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329279988 499090921 /nfs/dbraw/zinc/09/09/21/499090921.db2.gz LWKQRIWBLAEXRS-FGTMMUONSA-N 1 2 352.519 3.285 20 30 FGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329279988 499090926 /nfs/dbraw/zinc/09/09/26/499090926.db2.gz LWKQRIWBLAEXRS-FGTMMUONSA-N 1 2 352.519 3.285 20 30 FGEDLO CC[C@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCO1 ZINC000329319858 499097901 /nfs/dbraw/zinc/09/79/01/499097901.db2.gz DUHYMQKXZFPPHB-HIFRSBDPSA-N 1 2 358.442 3.193 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCO1 ZINC000329319859 499098085 /nfs/dbraw/zinc/09/80/85/499098085.db2.gz DUHYMQKXZFPPHB-UKRRQHHQSA-N 1 2 358.442 3.193 20 30 FGEDLO CS[C@@H]1CCCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329343849 499104432 /nfs/dbraw/zinc/10/44/32/499104432.db2.gz QHJFPOSUJALWPE-HZPDHXFCSA-N 1 2 366.531 3.019 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886726 499106152 /nfs/dbraw/zinc/10/61/52/499106152.db2.gz RRCMKOXXWVQNPD-DOTOQJQBSA-N 1 2 354.454 3.133 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1=O ZINC000366886726 499106156 /nfs/dbraw/zinc/10/61/56/499106156.db2.gz RRCMKOXXWVQNPD-DOTOQJQBSA-N 1 2 354.454 3.133 20 30 FGEDLO O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329369680 499110630 /nfs/dbraw/zinc/11/06/30/499110630.db2.gz IJDYJKOFYBWYJP-YJBOKZPZSA-N 1 2 357.454 3.362 20 30 FGEDLO O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329369680 499110635 /nfs/dbraw/zinc/11/06/35/499110635.db2.gz IJDYJKOFYBWYJP-YJBOKZPZSA-N 1 2 357.454 3.362 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)[nH]1 ZINC000329478042 499126999 /nfs/dbraw/zinc/12/69/99/499126999.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)[nH]1 ZINC000329478042 499127001 /nfs/dbraw/zinc/12/70/01/499127001.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329478042 499127003 /nfs/dbraw/zinc/12/70/03/499127003.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329478042 499127005 /nfs/dbraw/zinc/12/70/05/499127005.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n[nH]1 ZINC000329478042 499127006 /nfs/dbraw/zinc/12/70/06/499127006.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n[nH]1 ZINC000329478042 499127008 /nfs/dbraw/zinc/12/70/08/499127008.db2.gz QAVKCTGPEGCGDE-VQBCORBOSA-N 1 2 357.502 3.218 20 30 FGEDLO Cc1n[nH]c(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000372811699 499178657 /nfs/dbraw/zinc/17/86/57/499178657.db2.gz IYWHBAOKFZMIFE-UHFFFAOYSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n[nH]1 ZINC000372811699 499178661 /nfs/dbraw/zinc/17/86/61/499178661.db2.gz IYWHBAOKFZMIFE-UHFFFAOYSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)[nH]1 ZINC000372811699 499178663 /nfs/dbraw/zinc/17/86/63/499178663.db2.gz IYWHBAOKFZMIFE-UHFFFAOYSA-N 1 2 360.259 3.127 20 30 FGEDLO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000370113947 499182660 /nfs/dbraw/zinc/18/26/60/499182660.db2.gz RWHUMQJARWIZAA-UHFFFAOYSA-N 1 2 350.846 3.003 20 30 FGEDLO COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679875 499224215 /nfs/dbraw/zinc/22/42/15/499224215.db2.gz XHKPKYDJPGGALS-KSSFIOAISA-N 1 2 354.406 3.381 20 30 FGEDLO COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1C ZINC000367679875 499224217 /nfs/dbraw/zinc/22/42/17/499224217.db2.gz XHKPKYDJPGGALS-KSSFIOAISA-N 1 2 354.406 3.381 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367871625 499240325 /nfs/dbraw/zinc/24/03/25/499240325.db2.gz SPPVWUKDUKUVLC-JKSUJKDBSA-N 1 2 350.422 3.228 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)CCC2 ZINC000370955294 499274303 /nfs/dbraw/zinc/27/43/03/499274303.db2.gz YMZSXNBCWLGVPU-GOSISDBHSA-N 1 2 366.465 3.306 20 30 FGEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568745 499308536 /nfs/dbraw/zinc/30/85/36/499308536.db2.gz SBENQQXBFVYHOA-GDBMZVCRSA-N 1 2 353.459 3.103 20 30 FGEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568745 499308538 /nfs/dbraw/zinc/30/85/38/499308538.db2.gz SBENQQXBFVYHOA-GDBMZVCRSA-N 1 2 353.459 3.103 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000368612633 499313665 /nfs/dbraw/zinc/31/36/65/499313665.db2.gz HSMRNIUBIQAPNC-HNNXBMFYSA-N 1 2 368.456 3.190 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000371416101 499323453 /nfs/dbraw/zinc/32/34/53/499323453.db2.gz RVIUDUNKFCTOHZ-UHFFFAOYSA-N 1 2 350.422 3.067 20 30 FGEDLO CN(c1cccnn1)C1CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000368904033 499345254 /nfs/dbraw/zinc/34/52/54/499345254.db2.gz HZBXBGUROMBZNX-UHFFFAOYSA-N 1 2 359.836 3.242 20 30 FGEDLO C=CCSCCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000368917679 499346184 /nfs/dbraw/zinc/34/61/84/499346184.db2.gz OOEHFMLOZWNTLM-UHFFFAOYSA-N 1 2 363.527 3.225 20 30 FGEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369202706 499376787 /nfs/dbraw/zinc/37/67/87/499376787.db2.gz ADZSJFOMKVWJRE-KRWDZBQOSA-N 1 2 354.498 3.024 20 30 FGEDLO N#C[C@]1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCc2ccccc2C1 ZINC000371924998 499379940 /nfs/dbraw/zinc/37/99/40/499379940.db2.gz FEBJAASAAAWROX-NRFANRHFSA-N 1 2 355.401 3.258 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369244710 499382514 /nfs/dbraw/zinc/38/25/14/499382514.db2.gz SVWJLUMYGOGDGF-SFHVURJKSA-N 1 2 360.465 3.099 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369244710 499382515 /nfs/dbraw/zinc/38/25/15/499382515.db2.gz SVWJLUMYGOGDGF-SFHVURJKSA-N 1 2 360.465 3.099 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373106960 499451849 /nfs/dbraw/zinc/45/18/49/499451849.db2.gz OGXKWXDIGAJABD-HNNXBMFYSA-N 1 2 353.426 3.102 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000373644288 499481643 /nfs/dbraw/zinc/48/16/43/499481643.db2.gz LEUBBZBNMADBPW-OAHLLOKOSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000373644288 499481644 /nfs/dbraw/zinc/48/16/44/499481644.db2.gz LEUBBZBNMADBPW-OAHLLOKOSA-N 1 2 359.861 3.394 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375350445 499509743 /nfs/dbraw/zinc/50/97/43/499509743.db2.gz WGXNLZHSWVNCPQ-HNNXBMFYSA-N 1 2 352.413 3.241 20 30 FGEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000375436981 499518855 /nfs/dbraw/zinc/51/88/55/499518855.db2.gz KKHHZNMYENOQJM-IUODEOHRSA-N 1 2 352.463 3.214 20 30 FGEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000375729214 499549388 /nfs/dbraw/zinc/54/93/88/499549388.db2.gz FRTPZLVUPBFFKJ-CEXWTWQISA-N 1 2 369.465 3.006 20 30 FGEDLO C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000396371519 499563415 /nfs/dbraw/zinc/56/34/15/499563415.db2.gz DRFZSJQUTKJQOG-CQSZACIVSA-N 1 2 355.388 3.183 20 30 FGEDLO C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000396371519 499563416 /nfs/dbraw/zinc/56/34/16/499563416.db2.gz DRFZSJQUTKJQOG-CQSZACIVSA-N 1 2 355.388 3.183 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](Cc2cc(Br)ccc2F)C2CC2)C1=O ZINC000410334708 499655649 /nfs/dbraw/zinc/65/56/49/499655649.db2.gz HNZDRIPLCUOVKV-MRXNPFEDSA-N 1 2 367.262 3.340 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2cc(Br)ccc2F)C2CC2)C1=O ZINC000410334708 499655651 /nfs/dbraw/zinc/65/56/51/499655651.db2.gz HNZDRIPLCUOVKV-MRXNPFEDSA-N 1 2 367.262 3.340 20 30 FGEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000411143809 499702646 /nfs/dbraw/zinc/70/26/46/499702646.db2.gz ZIUNTDLUNZQTSK-DLBZAZTESA-N 1 2 363.527 3.199 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429219056 500025710 /nfs/dbraw/zinc/02/57/10/500025710.db2.gz JRFZBRVKSLWRST-GOSISDBHSA-N 1 2 354.841 3.013 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425306435 500070617 /nfs/dbraw/zinc/07/06/17/500070617.db2.gz AJJWDOYUJNLZRE-OXQOHEQNSA-N 1 2 353.466 3.325 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416676201 500082963 /nfs/dbraw/zinc/08/29/63/500082963.db2.gz CGLLWIGQYIBGOT-SFHVURJKSA-N 1 2 351.454 3.288 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425564790 500147956 /nfs/dbraw/zinc/14/79/56/500147956.db2.gz MMGGVQWKZKFIKA-IHPCNDPISA-N 1 2 368.481 3.132 20 30 FGEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(COc3ccccc3C#N)o2)[nH+]1 ZINC000570522011 506186737 /nfs/dbraw/zinc/18/67/37/506186737.db2.gz ULOPTCPFIMSWOI-UHFFFAOYSA-N 1 2 364.405 3.427 20 30 FGEDLO N#CCCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000431445512 500378298 /nfs/dbraw/zinc/37/82/98/500378298.db2.gz NFNCOZOTYLUNIL-RBUKOAKNSA-N 1 2 363.465 3.395 20 30 FGEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000424195975 500466819 /nfs/dbraw/zinc/46/68/19/500466819.db2.gz FEMJJXQTJPQCMJ-ZDUSSCGKSA-N 1 2 359.451 3.463 20 30 FGEDLO COC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428209834 500481441 /nfs/dbraw/zinc/48/14/41/500481441.db2.gz TYLXQZDTUOTZOB-UHFFFAOYSA-N 1 2 352.409 3.404 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)nn1 ZINC000424291799 500482498 /nfs/dbraw/zinc/48/24/98/500482498.db2.gz FNHCTTXXSMJLKD-MAUKXSAKSA-N 1 2 374.460 3.402 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)nn1 ZINC000424291803 500482675 /nfs/dbraw/zinc/48/26/75/500482675.db2.gz FNHCTTXXSMJLKD-YJBOKZPZSA-N 1 2 374.460 3.402 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CCOCC1 ZINC000424551879 500515920 /nfs/dbraw/zinc/51/59/20/500515920.db2.gz AMFCEKOUAMRZMB-UHFFFAOYSA-N 1 2 372.509 3.102 20 30 FGEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925611 500532353 /nfs/dbraw/zinc/53/23/53/500532353.db2.gz LYTAIFRZIREWMX-HIFRSBDPSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925611 500532354 /nfs/dbraw/zinc/53/23/54/500532354.db2.gz LYTAIFRZIREWMX-HIFRSBDPSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000420929543 500533598 /nfs/dbraw/zinc/53/35/98/500533598.db2.gz QTDLSNOCMBWHMV-TZMCWYRMSA-N 1 2 363.483 3.000 20 30 FGEDLO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000420929543 500533600 /nfs/dbraw/zinc/53/36/00/500533600.db2.gz QTDLSNOCMBWHMV-TZMCWYRMSA-N 1 2 363.483 3.000 20 30 FGEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](CC)O1 ZINC000420952842 500539584 /nfs/dbraw/zinc/53/95/84/500539584.db2.gz IOYTUQWJCWSKEZ-RCCFBDPRSA-N 1 2 373.497 3.220 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)oc1C ZINC000432785013 500563577 /nfs/dbraw/zinc/56/35/77/500563577.db2.gz RFFZIWQGVADIKH-DNVCBOLYSA-N 1 2 367.449 3.318 20 30 FGEDLO C=CCCn1cc(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)nn1 ZINC000424792744 500564634 /nfs/dbraw/zinc/56/46/34/500564634.db2.gz RQRBIMXHJHLWIO-HNNXBMFYSA-N 1 2 354.458 3.189 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)n1 ZINC000432914105 500590640 /nfs/dbraw/zinc/59/06/40/500590640.db2.gz RBNQJLMJXXHNFD-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442847706 500634356 /nfs/dbraw/zinc/63/43/56/500634356.db2.gz CTLZPOGNAZMCQW-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442847706 500634360 /nfs/dbraw/zinc/63/43/60/500634360.db2.gz CTLZPOGNAZMCQW-LJQANCHMSA-N 1 2 352.434 3.173 20 30 FGEDLO CCC(CC)CN(CCC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442954936 500652922 /nfs/dbraw/zinc/65/29/22/500652922.db2.gz IFNKQFHCSFMZAO-UHFFFAOYSA-N 1 2 374.510 3.272 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)CC(C)(C)C#N ZINC000433316202 500670512 /nfs/dbraw/zinc/67/05/12/500670512.db2.gz FMCNSCQRUBVPCW-UHFFFAOYSA-N 1 2 365.477 3.363 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)CC(C)(C)C#N ZINC000433316202 500670516 /nfs/dbraw/zinc/67/05/16/500670516.db2.gz FMCNSCQRUBVPCW-UHFFFAOYSA-N 1 2 365.477 3.363 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437630946 500671740 /nfs/dbraw/zinc/67/17/40/500671740.db2.gz QAODPARHSWPMDM-IBGZPJMESA-N 1 2 350.890 3.213 20 30 FGEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)c1 ZINC000443068633 500673441 /nfs/dbraw/zinc/67/34/41/500673441.db2.gz WFSSIXHGXJWMGB-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000447842485 500675571 /nfs/dbraw/zinc/67/55/71/500675571.db2.gz INYGZSBFBXMRAM-KRWDZBQOSA-N 1 2 363.889 3.334 20 30 FGEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCO1 ZINC000447842485 500675572 /nfs/dbraw/zinc/67/55/72/500675572.db2.gz INYGZSBFBXMRAM-KRWDZBQOSA-N 1 2 363.889 3.334 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661084 500751520 /nfs/dbraw/zinc/75/15/20/500751520.db2.gz SRFMOONDUPEXLK-DNVCBOLYSA-N 1 2 363.889 3.238 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443661084 500751521 /nfs/dbraw/zinc/75/15/21/500751521.db2.gz SRFMOONDUPEXLK-DNVCBOLYSA-N 1 2 363.889 3.238 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)on1 ZINC000434665101 500875737 /nfs/dbraw/zinc/87/57/37/500875737.db2.gz ZBHCDFJVFFAZLG-OAHLLOKOSA-N 1 2 356.451 3.374 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)on1 ZINC000434665101 500875741 /nfs/dbraw/zinc/87/57/41/500875741.db2.gz ZBHCDFJVFFAZLG-OAHLLOKOSA-N 1 2 356.451 3.374 20 30 FGEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444676282 500876797 /nfs/dbraw/zinc/87/67/97/500876797.db2.gz NVFFBMYFRRMALZ-ZBEGNZNMSA-N 1 2 369.375 3.180 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000434797506 500896714 /nfs/dbraw/zinc/89/67/14/500896714.db2.gz YJPOFQPJIUSELT-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cc(C#N)ccc1OC ZINC000434797506 500896716 /nfs/dbraw/zinc/89/67/16/500896716.db2.gz YJPOFQPJIUSELT-OALUTQOASA-N 1 2 350.418 3.446 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1Cl ZINC000446079476 501070435 /nfs/dbraw/zinc/07/04/35/501070435.db2.gz PLDCINPVPLXBOB-HRCADAONSA-N 1 2 363.889 3.393 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1Cl ZINC000446079476 501070439 /nfs/dbraw/zinc/07/04/39/501070439.db2.gz PLDCINPVPLXBOB-HRCADAONSA-N 1 2 363.889 3.393 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000611626332 506232529 /nfs/dbraw/zinc/23/25/29/506232529.db2.gz RYXKVVKAFMQOBB-SFHVURJKSA-N 1 2 351.454 3.039 20 30 FGEDLO N#Cc1cnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000450338347 501094424 /nfs/dbraw/zinc/09/44/24/501094424.db2.gz XMTGQESCKQIAGA-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1cnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c([N+](=O)[O-])c1 ZINC000450338347 501094428 /nfs/dbraw/zinc/09/44/28/501094428.db2.gz XMTGQESCKQIAGA-ZDUSSCGKSA-N 1 2 373.363 3.216 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C#N)CCCC2)[C@H](C)C1 ZINC000441454964 501142220 /nfs/dbraw/zinc/14/22/20/501142220.db2.gz UUUBFNJZIQQNAN-QGZVFWFLSA-N 1 2 355.482 3.202 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C#N)CCCC2)[C@H](C)C1 ZINC000441454964 501142222 /nfs/dbraw/zinc/14/22/22/501142222.db2.gz UUUBFNJZIQQNAN-QGZVFWFLSA-N 1 2 355.482 3.202 20 30 FGEDLO C=CCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CCCCC1 ZINC000449984460 501145090 /nfs/dbraw/zinc/14/50/90/501145090.db2.gz ICZZKUJGEJLJLM-INIZCTEOSA-N 1 2 357.502 3.130 20 30 FGEDLO C=CCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CCCCC1 ZINC000449984460 501145093 /nfs/dbraw/zinc/14/50/93/501145093.db2.gz ICZZKUJGEJLJLM-INIZCTEOSA-N 1 2 357.502 3.130 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CNc2cccc(C#N)c2)c(C)c1 ZINC000442181201 501204964 /nfs/dbraw/zinc/20/49/64/501204964.db2.gz KYCLENDUTWENDG-OAQYLSRUSA-N 1 2 373.460 3.341 20 30 FGEDLO N#CC1(NC(=O)c2ccc(Cl)cc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000436887578 501227588 /nfs/dbraw/zinc/22/75/88/501227588.db2.gz RDACLOBTOJRRCK-UHFFFAOYSA-N 1 2 369.852 3.334 20 30 FGEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCCC1 ZINC000450964242 501235476 /nfs/dbraw/zinc/23/54/76/501235476.db2.gz FDUFXIYGFCECMD-UHFFFAOYSA-N 1 2 369.509 3.426 20 30 FGEDLO Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)ncc1C#N ZINC000457743432 501299287 /nfs/dbraw/zinc/29/92/87/501299287.db2.gz VOVKYTXMMNFFNK-HOTGVXAUSA-N 1 2 372.469 3.008 20 30 FGEDLO Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)ncc1C#N ZINC000457743432 501299289 /nfs/dbraw/zinc/29/92/89/501299289.db2.gz VOVKYTXMMNFFNK-HOTGVXAUSA-N 1 2 372.469 3.008 20 30 FGEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451574725 501328831 /nfs/dbraw/zinc/32/88/31/501328831.db2.gz RXNFGCYMRKNYDN-CJNGLKHVSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451574725 501328832 /nfs/dbraw/zinc/32/88/32/501328832.db2.gz RXNFGCYMRKNYDN-CJNGLKHVSA-N 1 2 361.511 3.184 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)c1 ZINC000455958780 501426191 /nfs/dbraw/zinc/42/61/91/501426191.db2.gz SQPSGYRMCHDAID-QGZVFWFLSA-N 1 2 365.437 3.013 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)c2[nH+]ccn21 ZINC000456389912 501515150 /nfs/dbraw/zinc/51/51/50/501515150.db2.gz QEIDQJVJJDMSHY-XJKSGUPXSA-N 1 2 362.389 3.363 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)C3(c4cccc(C#N)c4)CC3)ccc2n1[C@H](C)CO ZINC000456713141 501584379 /nfs/dbraw/zinc/58/43/79/501584379.db2.gz MTOHFTDICDFIGY-CQSZACIVSA-N 1 2 374.444 3.440 20 30 FGEDLO C=CCc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc(OC)c1O ZINC000459618730 501687855 /nfs/dbraw/zinc/68/78/55/501687855.db2.gz SKTQJNGKMFZYCZ-UHFFFAOYSA-N 1 2 350.418 3.264 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000457535495 501718210 /nfs/dbraw/zinc/71/82/10/501718210.db2.gz JRPWHJHGALCLEF-HNNXBMFYSA-N 1 2 359.861 3.402 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@@H]1C ZINC000467287166 501758454 /nfs/dbraw/zinc/75/84/54/501758454.db2.gz FCCBUGPIUYUZHK-IFXJQAMLSA-N 1 2 372.513 3.387 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@@H]1C ZINC000467287166 501758460 /nfs/dbraw/zinc/75/84/60/501758460.db2.gz FCCBUGPIUYUZHK-IFXJQAMLSA-N 1 2 372.513 3.387 20 30 FGEDLO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCn2cc[nH+]c2C1 ZINC000460572368 501864231 /nfs/dbraw/zinc/86/42/31/501864231.db2.gz JFBRXJSRZMJINX-UHFFFAOYSA-N 1 2 371.448 3.286 20 30 FGEDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000474628249 501900257 /nfs/dbraw/zinc/90/02/57/501900257.db2.gz JKJNNZPBXOFKRQ-UHFFFAOYSA-N 1 2 367.412 3.451 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460818713 501928754 /nfs/dbraw/zinc/92/87/54/501928754.db2.gz QLJHGSGFDGIOSA-OAHLLOKOSA-N 1 2 369.415 3.284 20 30 FGEDLO CC(C)c1oc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)nc1-c1ccccc1 ZINC000471183194 501948066 /nfs/dbraw/zinc/94/80/66/501948066.db2.gz WOKMOXRQFHEYNM-MRXNPFEDSA-N 1 2 352.438 3.242 20 30 FGEDLO CC(C)c1oc([C@H]2CCC[N@H+]2CC(=O)NCC#N)nc1-c1ccccc1 ZINC000471183194 501948069 /nfs/dbraw/zinc/94/80/69/501948069.db2.gz WOKMOXRQFHEYNM-MRXNPFEDSA-N 1 2 352.438 3.242 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485905340 501983887 /nfs/dbraw/zinc/98/38/87/501983887.db2.gz IRKJMJFUXNECED-SFHVURJKSA-N 1 2 353.384 3.184 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485905340 501983892 /nfs/dbraw/zinc/98/38/92/501983892.db2.gz IRKJMJFUXNECED-SFHVURJKSA-N 1 2 353.384 3.184 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](c2ccccc2)C1 ZINC000468252487 502007252 /nfs/dbraw/zinc/00/72/52/502007252.db2.gz AXEIYNLLWDHGSQ-HXUWFJFHSA-N 1 2 372.428 3.342 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](c2ccccc2)C1 ZINC000468252487 502007255 /nfs/dbraw/zinc/00/72/55/502007255.db2.gz AXEIYNLLWDHGSQ-HXUWFJFHSA-N 1 2 372.428 3.342 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)[nH+]cn2)CC1 ZINC000596172810 506291855 /nfs/dbraw/zinc/29/18/55/506291855.db2.gz ZMYZINSTKNRDJB-KRWDZBQOSA-N 1 2 351.454 3.285 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@@H](CCC#N)c3ccccc3)nc[nH+]2)CC1 ZINC000596172810 506291860 /nfs/dbraw/zinc/29/18/60/506291860.db2.gz ZMYZINSTKNRDJB-KRWDZBQOSA-N 1 2 351.454 3.285 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1C#N ZINC000471808644 502141854 /nfs/dbraw/zinc/14/18/54/502141854.db2.gz FQDHCVLZQIYMCZ-UHFFFAOYSA-N 1 2 364.280 3.229 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000461960826 502253992 /nfs/dbraw/zinc/25/39/92/502253992.db2.gz VCNOXNQOFZDFPS-CWRNSKLLSA-N 1 2 357.845 3.154 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2)nc1 ZINC000475717127 502261999 /nfs/dbraw/zinc/26/19/99/502261999.db2.gz SRWXIAMUSWKRNC-UHFFFAOYSA-N 1 2 369.384 3.323 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483263029 502332219 /nfs/dbraw/zinc/33/22/19/502332219.db2.gz BYDXFHJRSUIPAR-GFCCVEGCSA-N 1 2 370.261 3.188 20 30 FGEDLO Cc1noc(C)c1C[NH+](Cc1cc(C#N)n(C)c1)Cc1c(C)noc1C ZINC000483289440 502340381 /nfs/dbraw/zinc/34/03/81/502340381.db2.gz MXZLXWZCKQTEQT-UHFFFAOYSA-N 1 2 353.426 3.309 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000465699935 502350928 /nfs/dbraw/zinc/35/09/28/502350928.db2.gz WXLUECFLHFLZFA-RTBURBONSA-N 1 2 363.465 3.365 20 30 FGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483425036 502387516 /nfs/dbraw/zinc/38/75/16/502387516.db2.gz GONVCDWRENQDHT-QAPCUYQASA-N 1 2 369.383 3.207 20 30 FGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483425036 502387520 /nfs/dbraw/zinc/38/75/20/502387520.db2.gz GONVCDWRENQDHT-QAPCUYQASA-N 1 2 369.383 3.207 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC000476144790 502397652 /nfs/dbraw/zinc/39/76/52/502397652.db2.gz KKEAHOPHHJUQAH-UHFFFAOYSA-N 1 2 371.444 3.292 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000487292773 502410441 /nfs/dbraw/zinc/41/04/41/502410441.db2.gz AICRYDUBVLANTP-UHFFFAOYSA-N 1 2 356.429 3.024 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000487292773 502410447 /nfs/dbraw/zinc/41/04/47/502410447.db2.gz AICRYDUBVLANTP-UHFFFAOYSA-N 1 2 356.429 3.024 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462558248 502486307 /nfs/dbraw/zinc/48/63/07/502486307.db2.gz XICFTXSABRLJEW-WBAXXEDZSA-N 1 2 371.481 3.452 20 30 FGEDLO C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462558248 502486311 /nfs/dbraw/zinc/48/63/11/502486311.db2.gz XICFTXSABRLJEW-WBAXXEDZSA-N 1 2 371.481 3.452 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C1CC1 ZINC000487836278 502543512 /nfs/dbraw/zinc/54/35/12/502543512.db2.gz KZEFRKYMZWDNDQ-CQSZACIVSA-N 1 2 374.242 3.327 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)ccc1C#N ZINC000487884055 502555942 /nfs/dbraw/zinc/55/59/42/502555942.db2.gz WNBQFVZASJHWRL-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)ccc1Cl ZINC000476974217 502637647 /nfs/dbraw/zinc/63/76/47/502637647.db2.gz ZDVXNCGPIQHCOO-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)ccc1Cl ZINC000476974217 502637650 /nfs/dbraw/zinc/63/76/50/502637650.db2.gz ZDVXNCGPIQHCOO-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000473567416 502639797 /nfs/dbraw/zinc/63/97/97/502639797.db2.gz GXHOGTMJXMALNG-DYESRHJHSA-N 1 2 360.498 3.129 20 30 FGEDLO C[C@@H]1C[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C[C@@H](C)N1CC#N ZINC000602856138 506327716 /nfs/dbraw/zinc/32/77/16/506327716.db2.gz IYUWDJVFACXOLD-ZIAGYGMSSA-N 1 2 371.510 3.095 20 30 FGEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000474094347 502807589 /nfs/dbraw/zinc/80/75/89/502807589.db2.gz DHQACRKTUVHNRQ-UHFFFAOYSA-N 1 2 357.461 3.375 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)c3ccc(F)cc3)cn2c1 ZINC000513103652 502853129 /nfs/dbraw/zinc/85/31/29/502853129.db2.gz XHXUHAASFCFURL-QGZVFWFLSA-N 1 2 368.437 3.396 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000505228621 502873612 /nfs/dbraw/zinc/87/36/12/502873612.db2.gz BIOSQJGAVUNZQA-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000602895489 506341327 /nfs/dbraw/zinc/34/13/27/506341327.db2.gz OWOGLVYIXQVZRU-UHFFFAOYSA-N 1 2 370.403 3.351 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376697 502918879 /nfs/dbraw/zinc/91/88/79/502918879.db2.gz PBXJXHYDMKJSFC-GOSISDBHSA-N 1 2 367.468 3.420 20 30 FGEDLO COc1ccccc1NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896463 506341961 /nfs/dbraw/zinc/34/19/61/506341961.db2.gz QYZVJVIZVMHRHZ-UHFFFAOYSA-N 1 2 364.449 3.082 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1Br ZINC000501078807 502930461 /nfs/dbraw/zinc/93/04/61/502930461.db2.gz QRJGREKRSFJIRO-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000509561398 502934998 /nfs/dbraw/zinc/93/49/98/502934998.db2.gz QZLWUPNNFMHWTR-UHFFFAOYSA-N 1 2 361.424 3.410 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000505584607 502941373 /nfs/dbraw/zinc/94/13/73/502941373.db2.gz INCUZJCTYUZKDZ-VQIMIIECSA-N 1 2 366.465 3.050 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000489698595 503014040 /nfs/dbraw/zinc/01/40/40/503014040.db2.gz UJFWKTNPJNHTRB-ZWKOTPCHSA-N 1 2 372.481 3.374 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000489698595 503014041 /nfs/dbraw/zinc/01/40/41/503014041.db2.gz UJFWKTNPJNHTRB-ZWKOTPCHSA-N 1 2 372.481 3.374 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000506011888 503028490 /nfs/dbraw/zinc/02/84/90/503028490.db2.gz GCZTVCQVECBMFR-UHFFFAOYSA-N 1 2 353.388 3.203 20 30 FGEDLO C[C@@H]1CCc2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)sc2C1 ZINC000506084332 503043623 /nfs/dbraw/zinc/04/36/23/503043623.db2.gz BMWYAZZEXQFSKG-MRXNPFEDSA-N 1 2 366.534 3.457 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000489886839 503057614 /nfs/dbraw/zinc/05/76/14/503057614.db2.gz MSSHADSPWCGEEE-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489948192 503073998 /nfs/dbraw/zinc/07/39/98/503073998.db2.gz AYDJYJHOZFKVFX-UHFFFAOYSA-N 1 2 369.440 3.045 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000506478869 503123497 /nfs/dbraw/zinc/12/34/97/503123497.db2.gz BXDXEPLYRNSBBJ-UHFFFAOYSA-N 1 2 350.462 3.138 20 30 FGEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000502194822 503161194 /nfs/dbraw/zinc/16/11/94/503161194.db2.gz LMNNQTFLFSUPES-CQSZACIVSA-N 1 2 367.453 3.476 20 30 FGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333276 503181576 /nfs/dbraw/zinc/18/15/76/503181576.db2.gz NMFZKGKNJVSAPB-SFTDATJTSA-N 1 2 369.509 3.249 20 30 FGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502333276 503181579 /nfs/dbraw/zinc/18/15/79/503181579.db2.gz NMFZKGKNJVSAPB-SFTDATJTSA-N 1 2 369.509 3.249 20 30 FGEDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000506909297 503192843 /nfs/dbraw/zinc/19/28/43/503192843.db2.gz KDYLEHINWUDLCN-FQEVSTJZSA-N 1 2 367.424 3.124 20 30 FGEDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000506909297 503192848 /nfs/dbraw/zinc/19/28/48/503192848.db2.gz KDYLEHINWUDLCN-FQEVSTJZSA-N 1 2 367.424 3.124 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1OCCc2ccccc21 ZINC000507270917 503265644 /nfs/dbraw/zinc/26/56/44/503265644.db2.gz ABSDHVGKXPENIQ-IBGZPJMESA-N 1 2 369.852 3.396 20 30 FGEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1OCCc2ccccc21 ZINC000507270917 503265649 /nfs/dbraw/zinc/26/56/49/503265649.db2.gz ABSDHVGKXPENIQ-IBGZPJMESA-N 1 2 369.852 3.396 20 30 FGEDLO N#CCCN(C(=O)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F)c1ccccc1 ZINC000593054588 506361742 /nfs/dbraw/zinc/36/17/42/506361742.db2.gz LFZJAHOSJKDWAI-UHFFFAOYSA-N 1 2 369.362 3.300 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@H]2CC)cc1 ZINC000593056222 506364096 /nfs/dbraw/zinc/36/40/96/506364096.db2.gz BSKGMMWUHCXVOD-QGZVFWFLSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@H]2CC)cc1 ZINC000593056222 506364106 /nfs/dbraw/zinc/36/41/06/506364106.db2.gz BSKGMMWUHCXVOD-QGZVFWFLSA-N 1 2 373.497 3.221 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CCN1CC(F)F ZINC000499242882 503363390 /nfs/dbraw/zinc/36/33/90/503363390.db2.gz LWRGYEIGWOCYPU-CQSZACIVSA-N 1 2 359.367 3.321 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CCN1CC(F)F ZINC000499242882 503363393 /nfs/dbraw/zinc/36/33/93/503363393.db2.gz LWRGYEIGWOCYPU-CQSZACIVSA-N 1 2 359.367 3.321 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492789873 503385350 /nfs/dbraw/zinc/38/53/50/503385350.db2.gz NRYBRFXUBQKKNF-CHWSQXEVSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492789873 503385355 /nfs/dbraw/zinc/38/53/55/503385355.db2.gz NRYBRFXUBQKKNF-CHWSQXEVSA-N 1 2 363.177 3.208 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503332016 503390800 /nfs/dbraw/zinc/39/08/00/503390800.db2.gz XYMWVWUVMPORJW-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503332016 503390802 /nfs/dbraw/zinc/39/08/02/503390802.db2.gz XYMWVWUVMPORJW-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503332014 503390877 /nfs/dbraw/zinc/39/08/77/503390877.db2.gz XYMWVWUVMPORJW-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503332014 503390878 /nfs/dbraw/zinc/39/08/78/503390878.db2.gz XYMWVWUVMPORJW-FUHWJXTLSA-N 1 2 372.831 3.311 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000516185468 503465590 /nfs/dbraw/zinc/46/55/90/503465590.db2.gz BYXCBUWUHGRDSQ-LJQANCHMSA-N 1 2 359.376 3.331 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000504075167 503518287 /nfs/dbraw/zinc/51/82/87/503518287.db2.gz KPQKCWDLHGZGCT-HXUWFJFHSA-N 1 2 368.437 3.287 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000516692494 503570996 /nfs/dbraw/zinc/57/09/96/503570996.db2.gz SHKVPIAXBBISQC-RDJZCZTQSA-N 1 2 354.372 3.347 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000516692494 503571003 /nfs/dbraw/zinc/57/10/03/503571003.db2.gz SHKVPIAXBBISQC-RDJZCZTQSA-N 1 2 354.372 3.347 20 30 FGEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000508859970 503580596 /nfs/dbraw/zinc/58/05/96/503580596.db2.gz XSIILHKYVYOTCY-CQSZACIVSA-N 1 2 370.482 3.064 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000512575051 503588107 /nfs/dbraw/zinc/58/81/07/503588107.db2.gz VNCQEUWISAXEAW-KRWDZBQOSA-N 1 2 350.809 3.465 20 30 FGEDLO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1Cl ZINC000537166473 503824775 /nfs/dbraw/zinc/82/47/75/503824775.db2.gz JTESCAVYCJGPRR-LJQANCHMSA-N 1 2 369.852 3.015 20 30 FGEDLO CCC[C@@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1cccc(Cl)c1 ZINC000530261994 503900556 /nfs/dbraw/zinc/90/05/56/503900556.db2.gz UNXVAMUPDZSPPT-OAHLLOKOSA-N 1 2 373.888 3.031 20 30 FGEDLO Cc1ccccc1C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000533607192 503901851 /nfs/dbraw/zinc/90/18/51/503901851.db2.gz DARVYSJQOIQJQA-UHFFFAOYSA-N 1 2 354.475 3.305 20 30 FGEDLO Cc1ccccc1C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000533607192 503901853 /nfs/dbraw/zinc/90/18/53/503901853.db2.gz DARVYSJQOIQJQA-UHFFFAOYSA-N 1 2 354.475 3.305 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518076877 503903412 /nfs/dbraw/zinc/90/34/12/503903412.db2.gz MMRUWKSDUXXOBY-NVXWUHKLSA-N 1 2 350.528 3.398 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000518076877 503903419 /nfs/dbraw/zinc/90/34/19/503903419.db2.gz MMRUWKSDUXXOBY-NVXWUHKLSA-N 1 2 350.528 3.398 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1C#N ZINC000533758712 503944887 /nfs/dbraw/zinc/94/48/87/503944887.db2.gz JMLXMPZGLPIWOJ-UHFFFAOYSA-N 1 2 363.461 3.284 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C2 ZINC000533760785 503944895 /nfs/dbraw/zinc/94/48/95/503944895.db2.gz KJJSAYYKJMTSIC-UHFFFAOYSA-N 1 2 350.418 3.302 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C2 ZINC000533760785 503944898 /nfs/dbraw/zinc/94/48/98/503944898.db2.gz KJJSAYYKJMTSIC-UHFFFAOYSA-N 1 2 350.418 3.302 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683306 504004372 /nfs/dbraw/zinc/00/43/72/504004372.db2.gz IHIHXVJYLAFUFU-LSDHHAIUSA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683306 504004375 /nfs/dbraw/zinc/00/43/75/504004375.db2.gz IHIHXVJYLAFUFU-LSDHHAIUSA-N 1 2 351.425 3.321 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163237 504028140 /nfs/dbraw/zinc/02/81/40/504028140.db2.gz NOQONTDFOBMSEO-APWZRJJASA-N 1 2 370.415 3.338 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541163237 504028143 /nfs/dbraw/zinc/02/81/43/504028143.db2.gz NOQONTDFOBMSEO-APWZRJJASA-N 1 2 370.415 3.338 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000541211741 504044557 /nfs/dbraw/zinc/04/45/57/504044557.db2.gz OPOKTZKIVOODJL-LJQANCHMSA-N 1 2 363.465 3.267 20 30 FGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000530941589 504137991 /nfs/dbraw/zinc/13/79/91/504137991.db2.gz DWFARUADIZPZMH-UHFFFAOYSA-N 1 2 362.364 3.383 20 30 FGEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000538150755 504146990 /nfs/dbraw/zinc/14/69/90/504146990.db2.gz LMJFNCDKPLYXSP-DOTOQJQBSA-N 1 2 359.376 3.427 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000534520359 504163157 /nfs/dbraw/zinc/16/31/57/504163157.db2.gz BRYZKOXLRGZBOU-FQEVSTJZSA-N 1 2 372.534 3.034 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000528351774 504183023 /nfs/dbraw/zinc/18/30/23/504183023.db2.gz AZPFYVUFGKDRFY-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000528351774 504183033 /nfs/dbraw/zinc/18/30/33/504183033.db2.gz AZPFYVUFGKDRFY-QUCCMNQESA-N 1 2 372.852 3.025 20 30 FGEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528493661 504246984 /nfs/dbraw/zinc/24/69/84/504246984.db2.gz VUTQAERZCBGQGW-FQEVSTJZSA-N 1 2 373.859 3.354 20 30 FGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000544881790 504289641 /nfs/dbraw/zinc/28/96/41/504289641.db2.gz POILCWDJDHMCRW-UHFFFAOYSA-N 1 2 359.433 3.239 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)n1 ZINC000544932412 504303540 /nfs/dbraw/zinc/30/35/40/504303540.db2.gz JDUTZJHOOBIYRP-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cccc(Cl)c3C#N)ccc2n1C ZINC000531438039 504307552 /nfs/dbraw/zinc/30/75/52/504307552.db2.gz OVESXOJLYFGGNC-UHFFFAOYSA-N 1 2 360.826 3.208 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC000541952966 504313990 /nfs/dbraw/zinc/31/39/90/504313990.db2.gz YBWKEMDSXWIHCC-GFCCVEGCSA-N 1 2 350.260 3.402 20 30 FGEDLO N#Cc1cnccc1N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000548153920 504349625 /nfs/dbraw/zinc/34/96/25/504349625.db2.gz JLMOQAGDMRSCHS-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000535198545 504371073 /nfs/dbraw/zinc/37/10/73/504371073.db2.gz YPSJGANNVCQSOI-SFHVURJKSA-N 1 2 374.444 3.286 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(C4CCCC4)no3)CCOCC2)cc1 ZINC000528778595 504376632 /nfs/dbraw/zinc/37/66/32/504376632.db2.gz KHTCADSAAONUSG-UHFFFAOYSA-N 1 2 352.438 3.394 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528788472 504382657 /nfs/dbraw/zinc/38/26/57/504382657.db2.gz NGJKBKJUHMVIIS-HNNXBMFYSA-N 1 2 359.227 3.153 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528788472 504382658 /nfs/dbraw/zinc/38/26/58/504382658.db2.gz NGJKBKJUHMVIIS-HNNXBMFYSA-N 1 2 359.227 3.153 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000538825810 504383067 /nfs/dbraw/zinc/38/30/67/504383067.db2.gz VDAHABAITWXKQX-IBGZPJMESA-N 1 2 352.413 3.342 20 30 FGEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000538825810 504383073 /nfs/dbraw/zinc/38/30/73/504383073.db2.gz VDAHABAITWXKQX-IBGZPJMESA-N 1 2 352.413 3.342 20 30 FGEDLO CS[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000542306652 504444844 /nfs/dbraw/zinc/44/48/44/504444844.db2.gz KMGCBFBMCVFXHN-GOSISDBHSA-N 1 2 374.554 3.163 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000520348755 504475171 /nfs/dbraw/zinc/47/51/71/504475171.db2.gz VCOHAZWXEKSDTF-RNCFNFMXSA-N 1 2 360.215 3.345 20 30 FGEDLO COc1c(C)cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000539107554 504475695 /nfs/dbraw/zinc/47/56/95/504475695.db2.gz CBTSBXGUJYLNCU-UHFFFAOYSA-N 1 2 363.461 3.142 20 30 FGEDLO CN(C(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)C1(C#N)CCCCC1 ZINC000548677360 504524534 /nfs/dbraw/zinc/52/45/34/504524534.db2.gz WSCYEVYIHVCUEA-GOSISDBHSA-N 1 2 369.513 3.110 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000539389327 504552343 /nfs/dbraw/zinc/55/23/43/504552343.db2.gz DDDPDXVBCYXAAK-MRXNPFEDSA-N 1 2 363.477 3.406 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CCCC2)nc1 ZINC000535820483 504555984 /nfs/dbraw/zinc/55/59/84/504555984.db2.gz FFGUMHKSSKBBEG-UHFFFAOYSA-N 1 2 353.426 3.173 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CCCC2)nc1 ZINC000535820483 504555988 /nfs/dbraw/zinc/55/59/88/504555988.db2.gz FFGUMHKSSKBBEG-UHFFFAOYSA-N 1 2 353.426 3.173 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000542620988 504556424 /nfs/dbraw/zinc/55/64/24/504556424.db2.gz OKQQSXDOUZSGIY-OAHLLOKOSA-N 1 2 356.470 3.374 20 30 FGEDLO C=CCCc1ccccc1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000548812431 504577017 /nfs/dbraw/zinc/57/70/17/504577017.db2.gz RMAVPXNDIQVITJ-SFHVURJKSA-N 1 2 353.470 3.439 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1C#N ZINC000535962411 504594796 /nfs/dbraw/zinc/59/47/96/504594796.db2.gz FEZPTUGNUBQWGT-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000521229697 504687964 /nfs/dbraw/zinc/68/79/64/504687964.db2.gz BDACQUBLZCOKBO-SFHVURJKSA-N 1 2 351.454 3.235 20 30 FGEDLO CNC(=O)C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(C(F)(F)F)c1 ZINC000539834739 504710426 /nfs/dbraw/zinc/71/04/26/504710426.db2.gz LAZIQOFUAYUFAO-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO CNC(=O)C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(C(F)(F)F)c1 ZINC000539834739 504710428 /nfs/dbraw/zinc/71/04/28/504710428.db2.gz LAZIQOFUAYUFAO-UHFFFAOYSA-N 1 2 367.396 3.387 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187962 504716844 /nfs/dbraw/zinc/71/68/44/504716844.db2.gz ZKDPUQPAADLNCM-CXAGYDPISA-N 1 2 371.378 3.336 20 30 FGEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549187962 504716849 /nfs/dbraw/zinc/71/68/49/504716849.db2.gz ZKDPUQPAADLNCM-CXAGYDPISA-N 1 2 371.378 3.336 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539850479 504717073 /nfs/dbraw/zinc/71/70/73/504717073.db2.gz PJRXIFJYLYCZHR-OAQYLSRUSA-N 1 2 363.461 3.238 20 30 FGEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539850479 504717076 /nfs/dbraw/zinc/71/70/76/504717076.db2.gz PJRXIFJYLYCZHR-OAQYLSRUSA-N 1 2 363.461 3.238 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532647587 504724178 /nfs/dbraw/zinc/72/41/78/504724178.db2.gz LSLXUQKXBFLRLS-CYBMUJFWSA-N 1 2 363.483 3.002 20 30 FGEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532647587 504724181 /nfs/dbraw/zinc/72/41/81/504724181.db2.gz LSLXUQKXBFLRLS-CYBMUJFWSA-N 1 2 363.483 3.002 20 30 FGEDLO Cc1ccc(Oc2ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)cc1 ZINC000565050631 504781514 /nfs/dbraw/zinc/78/15/14/504781514.db2.gz HKIZTFYTEPPINF-OAQYLSRUSA-N 1 2 367.449 3.126 20 30 FGEDLO N#Cc1c2c(cn(Cc3cn4cc(Cl)cc(Cl)c4[nH+]3)c1=O)CCC2 ZINC000562599282 504874169 /nfs/dbraw/zinc/87/41/69/504874169.db2.gz CVKGVZNMDVXJAR-UHFFFAOYSA-N 1 2 359.216 3.211 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)COc1ccc(-n2cc[nH+]c2)cc1 ZINC000549782084 504897431 /nfs/dbraw/zinc/89/74/31/504897431.db2.gz MQJZTHFCLJRNEH-LJQANCHMSA-N 1 2 350.418 3.420 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549840893 504913874 /nfs/dbraw/zinc/91/38/74/504913874.db2.gz AASCUPJJYJEVBJ-BBRMVZONSA-N 1 2 350.425 3.231 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549840893 504913878 /nfs/dbraw/zinc/91/38/78/504913878.db2.gz AASCUPJJYJEVBJ-BBRMVZONSA-N 1 2 350.425 3.231 20 30 FGEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc2c(s1)CCC2 ZINC000562706236 504915701 /nfs/dbraw/zinc/91/57/01/504915701.db2.gz IMKDOWQOFXNRQI-ZWNOBZJWSA-N 1 2 358.492 3.021 20 30 FGEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc2c(s1)CCC2 ZINC000562706235 504915922 /nfs/dbraw/zinc/91/59/22/504915922.db2.gz IMKDOWQOFXNRQI-MFKMUULPSA-N 1 2 358.492 3.021 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4nccc5sccc54)CC3)n2c1 ZINC000565799921 504990233 /nfs/dbraw/zinc/99/02/33/504990233.db2.gz CUVIXGIXZLLKFO-UHFFFAOYSA-N 1 2 374.473 3.138 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c(C#N)c1C ZINC000565798414 504990861 /nfs/dbraw/zinc/99/08/61/504990861.db2.gz YEXXLCJJVHHLFA-UHFFFAOYSA-N 1 2 353.422 3.380 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2Cc3ccccc3OC(C)(C)C2)c(C#N)c1C ZINC000565798414 504990863 /nfs/dbraw/zinc/99/08/63/504990863.db2.gz YEXXLCJJVHHLFA-UHFFFAOYSA-N 1 2 353.422 3.380 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1Cl ZINC000553912251 505041340 /nfs/dbraw/zinc/04/13/40/505041340.db2.gz HRGAVWBJSFFCCH-UHFFFAOYSA-N 1 2 370.678 3.097 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(Br)ccc1Cl ZINC000553912251 505041341 /nfs/dbraw/zinc/04/13/41/505041341.db2.gz HRGAVWBJSFFCCH-UHFFFAOYSA-N 1 2 370.678 3.097 20 30 FGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000550502615 505055422 /nfs/dbraw/zinc/05/54/22/505055422.db2.gz MZYKHDOVZHQVDM-CYBMUJFWSA-N 1 2 372.387 3.013 20 30 FGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000550502615 505055423 /nfs/dbraw/zinc/05/54/23/505055423.db2.gz MZYKHDOVZHQVDM-CYBMUJFWSA-N 1 2 372.387 3.013 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554191633 505113090 /nfs/dbraw/zinc/11/30/90/505113090.db2.gz KXOCBCSZRACJKP-IAQYHMDHSA-N 1 2 351.237 3.132 20 30 FGEDLO Cc1nnc(SCc2cccc(C[NH+]3CCOCC3)c2)c(C#N)c1C ZINC000563528370 505166504 /nfs/dbraw/zinc/16/65/04/505166504.db2.gz AJNWGCKTEZYQIS-UHFFFAOYSA-N 1 2 354.479 3.090 20 30 FGEDLO N#Cc1cccc(-n2ccc(-c3nc(Cc4cn5ccccc5[nH+]4)no3)n2)c1 ZINC000566527778 505195697 /nfs/dbraw/zinc/19/56/97/505195697.db2.gz WUIVLTKWAGGLAK-UHFFFAOYSA-N 1 2 367.372 3.032 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cscc2Br)CC1 ZINC000554854060 505282382 /nfs/dbraw/zinc/28/23/82/505282382.db2.gz KFLMJDWDOSFJTB-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CN(C)C(=O)CC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000558096785 505306724 /nfs/dbraw/zinc/30/67/24/505306724.db2.gz PBTKOJUKNHSPOG-UHFFFAOYSA-N 1 2 364.287 3.011 20 30 FGEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000555238364 505388014 /nfs/dbraw/zinc/38/80/14/505388014.db2.gz NZRPNGIFQNEGCF-UHFFFAOYSA-N 1 2 365.934 3.454 20 30 FGEDLO C=C(C)C[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000561918418 505468239 /nfs/dbraw/zinc/46/82/39/505468239.db2.gz JXVGSHQXFUKIBI-UHFFFAOYSA-N 1 2 359.333 3.221 20 30 FGEDLO C=C(C)C[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000561918418 505468245 /nfs/dbraw/zinc/46/82/45/505468245.db2.gz JXVGSHQXFUKIBI-UHFFFAOYSA-N 1 2 359.333 3.221 20 30 FGEDLO C=C(C)CN(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000561918418 505468250 /nfs/dbraw/zinc/46/82/50/505468250.db2.gz JXVGSHQXFUKIBI-UHFFFAOYSA-N 1 2 359.333 3.221 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000562023605 505494175 /nfs/dbraw/zinc/49/41/75/505494175.db2.gz MBSCLSNFLAATPI-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000562023605 505494178 /nfs/dbraw/zinc/49/41/78/505494178.db2.gz MBSCLSNFLAATPI-UHFFFAOYSA-N 1 2 353.422 3.208 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558865965 505515090 /nfs/dbraw/zinc/51/50/90/505515090.db2.gz OCANOUMIQALCBF-UZLBHIALSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558865965 505515095 /nfs/dbraw/zinc/51/50/95/505515095.db2.gz OCANOUMIQALCBF-UZLBHIALSA-N 1 2 358.388 3.008 20 30 FGEDLO CC(C)(CCC#N)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000562165779 505530299 /nfs/dbraw/zinc/53/02/99/505530299.db2.gz UUDFWMNEHIFDFX-UHFFFAOYSA-N 1 2 355.442 3.414 20 30 FGEDLO N#CC1(C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CCOCC1 ZINC000567714377 505546766 /nfs/dbraw/zinc/54/67/66/505546766.db2.gz CCSHROZZUPHCBB-UHFFFAOYSA-N 1 2 360.417 3.413 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000599259515 506388549 /nfs/dbraw/zinc/38/85/49/506388549.db2.gz VGNGAUOSCOMCGS-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593106388 506396177 /nfs/dbraw/zinc/39/61/77/506396177.db2.gz ZIXANSFGUVUCIS-OAHLLOKOSA-N 1 2 361.873 3.220 20 30 FGEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593106388 506396180 /nfs/dbraw/zinc/39/61/80/506396180.db2.gz ZIXANSFGUVUCIS-OAHLLOKOSA-N 1 2 361.873 3.220 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000596428856 506401990 /nfs/dbraw/zinc/40/19/90/506401990.db2.gz UNWIQLSKTTTYOR-WMZOPIPTSA-N 1 2 351.454 3.039 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362887 506427058 /nfs/dbraw/zinc/42/70/58/506427058.db2.gz RGVMQGRBOANPAY-WBVHZDCISA-N 1 2 362.271 3.328 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599362887 506427060 /nfs/dbraw/zinc/42/70/60/506427060.db2.gz RGVMQGRBOANPAY-WBVHZDCISA-N 1 2 362.271 3.328 20 30 FGEDLO C[C@](CO)([NH2+]Cc1ccc(C#N)cc1Br)c1cccc(O)c1 ZINC000589163295 506464713 /nfs/dbraw/zinc/46/47/13/506464713.db2.gz PNDQAQGQPGZTPM-QGZVFWFLSA-N 1 2 361.239 3.024 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161923 506467128 /nfs/dbraw/zinc/46/71/28/506467128.db2.gz HEVQUFGOZKXJJE-APWZRJJASA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161923 506467133 /nfs/dbraw/zinc/46/71/33/506467133.db2.gz HEVQUFGOZKXJJE-APWZRJJASA-N 1 2 363.408 3.409 20 30 FGEDLO COCCOCc1cc(C#N)ccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000603311291 506481564 /nfs/dbraw/zinc/48/15/64/506481564.db2.gz LQFZCWXCCANOMG-OXJNMPFZSA-N 1 2 354.454 3.005 20 30 FGEDLO COc1ccc(Br)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000589257740 506498961 /nfs/dbraw/zinc/49/89/61/506498961.db2.gz KABMSKIWYLYDCJ-QGZVFWFLSA-N 1 2 366.303 3.123 20 30 FGEDLO COCc1cc(C#N)ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000603417432 506507885 /nfs/dbraw/zinc/50/78/85/506507885.db2.gz ZSYCNMVOUGULKW-UHFFFAOYSA-N 1 2 354.479 3.265 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)NCC3(C#N)CCCC3)c[nH+]2)CC1 ZINC000593303372 506525488 /nfs/dbraw/zinc/52/54/88/506525488.db2.gz VAJSAYUZSODWNT-UHFFFAOYSA-N 1 2 355.486 3.201 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3ccc[nH+]c3N3CCCC3)CC2)c1 ZINC000596691998 506542070 /nfs/dbraw/zinc/54/20/70/506542070.db2.gz SSCSJAZAXIYBJA-UHFFFAOYSA-N 1 2 361.449 3.042 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649209 506551582 /nfs/dbraw/zinc/55/15/82/506551582.db2.gz YTDIVQGUXKDHIW-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649209 506551589 /nfs/dbraw/zinc/55/15/89/506551589.db2.gz YTDIVQGUXKDHIW-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000596725624 506562411 /nfs/dbraw/zinc/56/24/11/506562411.db2.gz CLRHSCPTYYGHBV-IRXDYDNUSA-N 1 2 356.470 3.237 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C2 ZINC000599678670 506574832 /nfs/dbraw/zinc/57/48/32/506574832.db2.gz XMBLRYUUPFNDDP-QHCPKHFHSA-N 1 2 359.473 3.378 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C2 ZINC000599678670 506574837 /nfs/dbraw/zinc/57/48/37/506574837.db2.gz XMBLRYUUPFNDDP-QHCPKHFHSA-N 1 2 359.473 3.378 20 30 FGEDLO COCc1cc(NCCOc2ccc(C#N)cc2)c2cc(F)ccc2[nH+]1 ZINC000589579557 506590825 /nfs/dbraw/zinc/59/08/25/506590825.db2.gz IUVQXCTTZZNXAA-UHFFFAOYSA-N 1 2 351.381 3.305 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603691342 506597431 /nfs/dbraw/zinc/59/74/31/506597431.db2.gz CPLDRBQUCIHWJY-CQSZACIVSA-N 1 2 362.393 3.152 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000590326597 506795350 /nfs/dbraw/zinc/79/53/50/506795350.db2.gz SCHGECMPCRDRDT-PBHICJAKSA-N 1 2 351.372 3.049 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000590326597 506795355 /nfs/dbraw/zinc/79/53/55/506795355.db2.gz SCHGECMPCRDRDT-PBHICJAKSA-N 1 2 351.372 3.049 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc2ccccc21 ZINC000609162749 506799293 /nfs/dbraw/zinc/79/92/93/506799293.db2.gz RQJLDVVHMDUJMF-UHFFFAOYSA-N 1 2 359.433 3.090 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cc3)n2)C1 ZINC000604447175 506835350 /nfs/dbraw/zinc/83/53/50/506835350.db2.gz QGZLIFIGBBJJKW-AWEZNQCLSA-N 1 2 369.494 3.297 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccc(C#N)cc3)n2)C1 ZINC000604447175 506835353 /nfs/dbraw/zinc/83/53/53/506835353.db2.gz QGZLIFIGBBJJKW-AWEZNQCLSA-N 1 2 369.494 3.297 20 30 FGEDLO CCN(C(=O)[C@H](C)CC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000597284777 506878164 /nfs/dbraw/zinc/87/81/64/506878164.db2.gz HEVNHWODLLPCPF-OAHLLOKOSA-N 1 2 357.502 3.276 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590638200 506892041 /nfs/dbraw/zinc/89/20/41/506892041.db2.gz WFOMTXPPQSTGMM-UHFFFAOYSA-N 1 2 353.813 3.070 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000609540068 506914438 /nfs/dbraw/zinc/91/44/38/506914438.db2.gz TXRAWBFGURNDIW-UHFFFAOYSA-N 1 2 359.392 3.432 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000609540068 506914447 /nfs/dbraw/zinc/91/44/47/506914447.db2.gz TXRAWBFGURNDIW-UHFFFAOYSA-N 1 2 359.392 3.432 20 30 FGEDLO C[C@@]1(C#N)CCCN(Cc2cncc(C[N@@H+]3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715432 506921717 /nfs/dbraw/zinc/92/17/17/506921717.db2.gz BIEQZOJHBFWGTR-OYRHEFFESA-N 1 2 351.498 3.333 20 30 FGEDLO C[C@@]1(C#N)CCCN(Cc2cncc(C[N@H+]3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715432 506921723 /nfs/dbraw/zinc/92/17/23/506921723.db2.gz BIEQZOJHBFWGTR-OYRHEFFESA-N 1 2 351.498 3.333 20 30 FGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cncc(CN3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715432 506921731 /nfs/dbraw/zinc/92/17/31/506921731.db2.gz BIEQZOJHBFWGTR-OYRHEFFESA-N 1 2 351.498 3.333 20 30 FGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cncc(CN3CCC[C@](C)(C#N)C3)c2)C1 ZINC000590715432 506921739 /nfs/dbraw/zinc/92/17/39/506921739.db2.gz BIEQZOJHBFWGTR-OYRHEFFESA-N 1 2 351.498 3.333 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000583844012 507002455 /nfs/dbraw/zinc/00/24/55/507002455.db2.gz ONVWRXLNJLOAFE-UHFFFAOYSA-N 1 2 371.366 3.166 20 30 FGEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCCC1 ZINC000583852630 507010117 /nfs/dbraw/zinc/01/01/17/507010117.db2.gz PZJUNRSAIOXFNO-UHFFFAOYSA-N 1 2 354.454 3.475 20 30 FGEDLO N#Cc1ccc2c(c1)CN(C(=O)NCc1cc[nH+]c(N3CCCCC3)c1)C2 ZINC000594209442 507011366 /nfs/dbraw/zinc/01/13/66/507011366.db2.gz KNDXWARRGRAUQU-UHFFFAOYSA-N 1 2 361.449 3.169 20 30 FGEDLO Cc1onc(CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1C#N ZINC000597612513 507030719 /nfs/dbraw/zinc/03/07/19/507030719.db2.gz YJDRQVPNYWCJTG-UHFFFAOYSA-N 1 2 361.405 3.236 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971900 507067470 /nfs/dbraw/zinc/06/74/70/507067470.db2.gz VJXBQSZEXJFHNY-INMHGKMJSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971900 507067476 /nfs/dbraw/zinc/06/74/76/507067476.db2.gz VJXBQSZEXJFHNY-INMHGKMJSA-N 1 2 359.495 3.130 20 30 FGEDLO C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)c1cccc(C#N)c1 ZINC000594303728 507070993 /nfs/dbraw/zinc/07/09/93/507070993.db2.gz HKOCFLBNWPVZGE-SMDDNHRTSA-N 1 2 350.344 3.205 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)c1C#N ZINC000583963586 507074560 /nfs/dbraw/zinc/07/45/60/507074560.db2.gz RFJLAHJMDOUYCY-UHFFFAOYSA-N 1 2 364.421 3.247 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594346147 507088488 /nfs/dbraw/zinc/08/84/88/507088488.db2.gz AZDVPDVYDGYGBC-QGZVFWFLSA-N 1 2 352.482 3.435 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000591037574 507089936 /nfs/dbraw/zinc/08/99/36/507089936.db2.gz MYVIGAVMFRWOCH-GOSISDBHSA-N 1 2 359.433 3.429 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000591037574 507089942 /nfs/dbraw/zinc/08/99/42/507089942.db2.gz MYVIGAVMFRWOCH-GOSISDBHSA-N 1 2 359.433 3.429 20 30 FGEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000610211228 507139135 /nfs/dbraw/zinc/13/91/35/507139135.db2.gz GAXKMVCPNZKVOL-MRXNPFEDSA-N 1 2 373.460 3.069 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCc3ccc(C#N)cc3)c2C1 ZINC000597888588 507155984 /nfs/dbraw/zinc/15/59/84/507155984.db2.gz CNPOWTPAAQUXGI-UHFFFAOYSA-N 1 2 370.456 3.067 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCCc3ccc(C#N)cc3)c2C1 ZINC000597888588 507155989 /nfs/dbraw/zinc/15/59/89/507155989.db2.gz CNPOWTPAAQUXGI-UHFFFAOYSA-N 1 2 370.456 3.067 20 30 FGEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2ccco2)CC1 ZINC000610245399 507158235 /nfs/dbraw/zinc/15/82/35/507158235.db2.gz PPYDFWYRRUGMFA-UHFFFAOYSA-N 1 2 354.360 3.300 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000610348619 507205113 /nfs/dbraw/zinc/20/51/13/507205113.db2.gz PCOLKHSMDJGUKK-HNNXBMFYSA-N 1 2 351.454 3.360 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000591406483 507237335 /nfs/dbraw/zinc/23/73/35/507237335.db2.gz JKTMRAIBHDAGGL-MSOLQXFVSA-N 1 2 363.465 3.462 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000594779282 507278531 /nfs/dbraw/zinc/27/85/31/507278531.db2.gz MLOHUCOAXHBPKW-YGRLFVJLSA-N 1 2 372.475 3.262 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601371243 507347792 /nfs/dbraw/zinc/34/77/92/507347792.db2.gz DMSXBUJMQKSZTD-JKSUJKDBSA-N 1 2 361.848 3.424 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000601371243 507347796 /nfs/dbraw/zinc/34/77/96/507347796.db2.gz DMSXBUJMQKSZTD-JKSUJKDBSA-N 1 2 361.848 3.424 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)nn1 ZINC000591838473 507385900 /nfs/dbraw/zinc/38/59/00/507385900.db2.gz RLTMUPIEJPAPMX-UHFFFAOYSA-N 1 2 366.421 3.191 20 30 FGEDLO Cc1cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1C#N ZINC000584699961 507457409 /nfs/dbraw/zinc/45/74/09/507457409.db2.gz QTXDUYZUHNTQLB-UHFFFAOYSA-N 1 2 366.446 3.432 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595398313 507481165 /nfs/dbraw/zinc/48/11/65/507481165.db2.gz OUHQFEUBRXEIRS-QGZVFWFLSA-N 1 2 350.388 3.243 20 30 FGEDLO N#Cc1cnccc1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000592122079 507491151 /nfs/dbraw/zinc/49/11/51/507491151.db2.gz WTJFMQHHECSFGD-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000611140019 507532271 /nfs/dbraw/zinc/53/22/71/507532271.db2.gz ITMSPNXTWZFYJI-LBPRGKRZSA-N 1 2 358.829 3.074 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000611140019 507532278 /nfs/dbraw/zinc/53/22/78/507532278.db2.gz ITMSPNXTWZFYJI-LBPRGKRZSA-N 1 2 358.829 3.074 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592193318 507533167 /nfs/dbraw/zinc/53/31/67/507533167.db2.gz LWWPFINLNUZJMU-ROUUACIJSA-N 1 2 355.482 3.355 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592193318 507533177 /nfs/dbraw/zinc/53/31/77/507533177.db2.gz LWWPFINLNUZJMU-ROUUACIJSA-N 1 2 355.482 3.355 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000602007252 507550760 /nfs/dbraw/zinc/55/07/60/507550760.db2.gz OTZYRBUGZACNLV-IBGZPJMESA-N 1 2 353.397 3.105 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000611271034 507595360 /nfs/dbraw/zinc/59/53/60/507595360.db2.gz GKNXQRAWPMKZGI-GOSISDBHSA-N 1 2 361.898 3.124 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602154898 507608629 /nfs/dbraw/zinc/60/86/29/507608629.db2.gz MRSMFSCCPFYGKM-GJZGRUSLSA-N 1 2 350.344 3.320 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)c1 ZINC000614680986 507617414 /nfs/dbraw/zinc/61/74/14/507617414.db2.gz COZPJXALASMKSB-OAHLLOKOSA-N 1 2 374.404 3.079 20 30 FGEDLO CC(C)C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)n1cc[nH+]c1 ZINC000602192119 507624433 /nfs/dbraw/zinc/62/44/33/507624433.db2.gz WESLPWNIKBNHHV-IBGZPJMESA-N 1 2 366.465 3.164 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598836591 507628894 /nfs/dbraw/zinc/62/88/94/507628894.db2.gz NPPVOEUKIWHGTJ-QUCCMNQESA-N 1 2 355.869 3.432 20 30 FGEDLO CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(F)(F)F)cs1 ZINC000592504937 507684231 /nfs/dbraw/zinc/68/42/31/507684231.db2.gz DQHKSWNTPMXCAG-NSHDSACASA-N 1 2 366.372 3.317 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833643 507706359 /nfs/dbraw/zinc/70/63/59/507706359.db2.gz IDQABPUALKATTR-CXAGYDPISA-N 1 2 364.287 3.032 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833643 507706363 /nfs/dbraw/zinc/70/63/63/507706363.db2.gz IDQABPUALKATTR-CXAGYDPISA-N 1 2 364.287 3.032 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595833598 507707477 /nfs/dbraw/zinc/70/74/77/507707477.db2.gz DYPXIGQVFBWQCN-QHCPKHFHSA-N 1 2 361.489 3.493 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595833598 507707480 /nfs/dbraw/zinc/70/74/80/507707480.db2.gz DYPXIGQVFBWQCN-QHCPKHFHSA-N 1 2 361.489 3.493 20 30 FGEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611500685 507709643 /nfs/dbraw/zinc/70/96/43/507709643.db2.gz NYDXYRCPZVFCBB-ZDUSSCGKSA-N 1 2 363.421 3.448 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553397 507735179 /nfs/dbraw/zinc/73/51/79/507735179.db2.gz YVNGUQBMMPUJLK-HXUWFJFHSA-N 1 2 364.424 3.088 20 30 FGEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc2c(cc1Br)OCCO2 ZINC000602521469 507736431 /nfs/dbraw/zinc/73/64/31/507736431.db2.gz OAJTXEGPUQCYEM-NSHDSACASA-N 1 2 374.238 3.338 20 30 FGEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCC2)cc1O ZINC000819772769 606237685 /nfs/dbraw/zinc/23/76/85/606237685.db2.gz LNCOOXTYAVJCMV-UHFFFAOYSA-N 1 2 363.425 3.009 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824035527 608596007 /nfs/dbraw/zinc/59/60/07/608596007.db2.gz ZGEHPUKIJJJGEX-HNNXBMFYSA-N 1 2 362.437 3.037 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824035527 608596010 /nfs/dbraw/zinc/59/60/10/608596010.db2.gz ZGEHPUKIJJJGEX-HNNXBMFYSA-N 1 2 362.437 3.037 20 30 FGEDLO Clc1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1-c1nn[nH]n1 ZINC000826351205 609472087 /nfs/dbraw/zinc/47/20/87/609472087.db2.gz CHLWKBPLUBLKDR-UHFFFAOYSA-N 1 2 364.800 3.152 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000046037345 695830825 /nfs/dbraw/zinc/83/08/25/695830825.db2.gz GPFYICKCTITEQX-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000050274364 695901572 /nfs/dbraw/zinc/90/15/72/695901572.db2.gz NWKJKVRTDHYTEM-UHFFFAOYSA-N 1 2 357.523 3.461 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000050274364 695901574 /nfs/dbraw/zinc/90/15/74/695901574.db2.gz NWKJKVRTDHYTEM-UHFFFAOYSA-N 1 2 357.523 3.461 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000185616304 712698363 /nfs/dbraw/zinc/69/83/63/712698363.db2.gz BPZAYOAXEOVHDM-KRWDZBQOSA-N 1 2 355.507 3.424 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000619769758 714869529 /nfs/dbraw/zinc/86/95/29/714869529.db2.gz QKSOSMNEGFBEOP-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804499743 724522539 /nfs/dbraw/zinc/52/25/39/724522539.db2.gz MDVQIMOVHHLHFX-TZMCWYRMSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804499743 724522542 /nfs/dbraw/zinc/52/25/42/724522542.db2.gz MDVQIMOVHHLHFX-TZMCWYRMSA-N 1 2 362.886 3.370 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804940797 724567326 /nfs/dbraw/zinc/56/73/26/724567326.db2.gz YEVSQPNNCIBAAS-IPMKNSEASA-N 1 2 353.551 3.488 20 30 FGEDLO COCCn1nc(C)c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1C ZINC000783712394 724780527 /nfs/dbraw/zinc/78/05/27/724780527.db2.gz GHUBZCDOUPQOFV-PLNGDYQASA-N 1 2 356.451 3.290 20 30 FGEDLO C=C(C)[C@@H](CO)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000671144384 721568959 /nfs/dbraw/zinc/56/89/59/721568959.db2.gz DBXRLUVVJUVXEJ-QGZVFWFLSA-N 1 2 358.511 3.282 20 30 FGEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679499053 722030719 /nfs/dbraw/zinc/03/07/19/722030719.db2.gz WQVSBYGFGSYGJB-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679499053 722030721 /nfs/dbraw/zinc/03/07/21/722030721.db2.gz WQVSBYGFGSYGJB-IRXDYDNUSA-N 1 2 369.868 3.116 20 30 FGEDLO C=C(Br)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729576938 722460757 /nfs/dbraw/zinc/46/07/57/722460757.db2.gz XLJAFNMOMOJEOI-ZDUSSCGKSA-N 1 2 368.275 3.110 20 30 FGEDLO Brc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cn1 ZINC000732712626 722487632 /nfs/dbraw/zinc/48/76/32/722487632.db2.gz CUEXONQUFZZVSN-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000735304346 722514763 /nfs/dbraw/zinc/51/47/63/722514763.db2.gz GKRBHOXDWHKOEG-UHFFFAOYSA-N 1 2 357.841 3.270 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc3c(cc2Br)OCO3)c1 ZINC000742381870 722556554 /nfs/dbraw/zinc/55/65/54/722556554.db2.gz PKJLFTDONGZTNS-UHFFFAOYSA-N 1 2 363.186 3.478 20 30 FGEDLO CC(C)CSCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000755380739 722952739 /nfs/dbraw/zinc/95/27/39/722952739.db2.gz WIOGPUVDVYASPH-UHFFFAOYSA-N 1 2 358.511 3.035 20 30 FGEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000757066203 722973952 /nfs/dbraw/zinc/97/39/52/722973952.db2.gz ZFGFGNOOAQEENC-IBGZPJMESA-N 1 2 353.491 3.340 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408561 723136265 /nfs/dbraw/zinc/13/62/65/723136265.db2.gz ZYBGULCJODXZKW-LBTNJELSSA-N 1 2 350.846 3.011 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O2 ZINC000790408561 723136266 /nfs/dbraw/zinc/13/62/66/723136266.db2.gz ZYBGULCJODXZKW-LBTNJELSSA-N 1 2 350.846 3.011 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[C@@H](C)[N@@H+](C)C3)cc2)cc1 ZINC000761800885 723184912 /nfs/dbraw/zinc/18/49/12/723184912.db2.gz HLDOESHBXNAOHI-OAHLLOKOSA-N 1 2 357.479 3.320 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[C@@H](C)[N@H+](C)C3)cc2)cc1 ZINC000761800885 723184914 /nfs/dbraw/zinc/18/49/14/723184914.db2.gz HLDOESHBXNAOHI-OAHLLOKOSA-N 1 2 357.479 3.320 20 30 FGEDLO C#CCC(CC#C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000764249532 723401809 /nfs/dbraw/zinc/40/18/09/723401809.db2.gz UNPJXUUNJMFYCV-GOSISDBHSA-N 1 2 360.860 3.395 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+](C)CCc2cccc3ccccc32)c1=S ZINC000794626079 723536536 /nfs/dbraw/zinc/53/65/36/723536536.db2.gz FRYKNBZXSBHWTB-UHFFFAOYSA-N 1 2 351.479 3.302 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+](C)CCc2cccc3ccccc32)c1=S ZINC000794626079 723536537 /nfs/dbraw/zinc/53/65/37/723536537.db2.gz FRYKNBZXSBHWTB-UHFFFAOYSA-N 1 2 351.479 3.302 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1=S ZINC000794633821 723537038 /nfs/dbraw/zinc/53/70/38/723537038.db2.gz NZROKHSEOBLKEC-KRWDZBQOSA-N 1 2 355.511 3.462 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)c1=S ZINC000794633821 723537040 /nfs/dbraw/zinc/53/70/40/723537040.db2.gz NZROKHSEOBLKEC-KRWDZBQOSA-N 1 2 355.511 3.462 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000794831121 723548281 /nfs/dbraw/zinc/54/82/81/723548281.db2.gz COPOCUNSPSOWHW-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nc1 ZINC000794831121 723548283 /nfs/dbraw/zinc/54/82/83/723548283.db2.gz COPOCUNSPSOWHW-HNNXBMFYSA-N 1 2 358.785 3.168 20 30 FGEDLO C#CCCN(CC(F)(F)F)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000767165706 723609247 /nfs/dbraw/zinc/60/92/47/723609247.db2.gz ZQGBGZLOFPEFCS-UHFFFAOYSA-N 1 2 369.412 3.290 20 30 FGEDLO CO[C@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499451 723640344 /nfs/dbraw/zinc/64/03/44/723640344.db2.gz BLYNMKPTJQGNKC-AUUYWEPGSA-N 1 2 357.479 3.364 20 30 FGEDLO CO[C@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000796499451 723640346 /nfs/dbraw/zinc/64/03/46/723640346.db2.gz BLYNMKPTJQGNKC-AUUYWEPGSA-N 1 2 357.479 3.364 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667183 723812266 /nfs/dbraw/zinc/81/22/66/723812266.db2.gz NVSJWDKCKQRQPV-AUUYWEPGSA-N 1 2 360.889 3.267 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667183 723812270 /nfs/dbraw/zinc/81/22/70/723812270.db2.gz NVSJWDKCKQRQPV-AUUYWEPGSA-N 1 2 360.889 3.267 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128122 723989980 /nfs/dbraw/zinc/98/99/80/723989980.db2.gz NCEPJXNZRCOJCO-HZPDHXFCSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)C1=O ZINC000799128122 723989981 /nfs/dbraw/zinc/98/99/81/723989981.db2.gz NCEPJXNZRCOJCO-HZPDHXFCSA-N 1 2 364.921 3.425 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2nccc2-c2ccc(F)c(Cl)c2)C1=O ZINC000799144227 723990725 /nfs/dbraw/zinc/99/07/25/723990725.db2.gz WIMKIUOGOVQXRH-QGZVFWFLSA-N 1 2 362.836 3.019 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2nccc2-c2ccc(F)c(Cl)c2)C1=O ZINC000799144227 723990726 /nfs/dbraw/zinc/99/07/26/723990726.db2.gz WIMKIUOGOVQXRH-QGZVFWFLSA-N 1 2 362.836 3.019 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCCO1 ZINC000775791064 724061691 /nfs/dbraw/zinc/06/16/91/724061691.db2.gz RWSJZSBNMIDLOD-HZPDHXFCSA-N 1 2 358.463 3.098 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775800065 724063370 /nfs/dbraw/zinc/06/33/70/724063370.db2.gz QNIQVZNOKZXPFD-HZPDHXFCSA-N 1 2 361.239 3.375 20 30 FGEDLO N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799790169 724096721 /nfs/dbraw/zinc/09/67/21/724096721.db2.gz JFZNMVLAZDWTAM-UHFFFAOYSA-N 1 2 373.821 3.224 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1Br ZINC000801554113 724312853 /nfs/dbraw/zinc/31/28/53/724312853.db2.gz RCRKGQHGMPOPGU-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CN(C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1)C(=O)OC(C)(C)C ZINC000811458278 725366431 /nfs/dbraw/zinc/36/64/31/725366431.db2.gz VNUMRFSLWVGMCO-ZDUSSCGKSA-N 1 2 350.488 3.094 20 30 FGEDLO CN(C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1)C(=O)OC(C)(C)C ZINC000811458278 725366434 /nfs/dbraw/zinc/36/64/34/725366434.db2.gz VNUMRFSLWVGMCO-ZDUSSCGKSA-N 1 2 350.488 3.094 20 30 FGEDLO Cl/C=C/CO[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000811671403 725376328 /nfs/dbraw/zinc/37/63/28/725376328.db2.gz FEGVMQQELWVTJW-OSZISRJWSA-N 1 2 359.651 3.389 20 30 FGEDLO C#CCOCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000814716154 726994774 /nfs/dbraw/zinc/99/47/74/726994774.db2.gz AKDPABSCXGSFQN-LBPRGKRZSA-N 1 2 350.875 3.243 20 30 FGEDLO C#Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000837107171 729993905 /nfs/dbraw/zinc/99/39/05/729993905.db2.gz ZDSCBBFTFOIRCF-HXUWFJFHSA-N 1 2 350.487 3.074 20 30 FGEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000852751531 731630080 /nfs/dbraw/zinc/63/00/80/731630080.db2.gz GYOAJNYWHRIFPD-UHFFFAOYSA-N 1 2 362.779 3.269 20 30 FGEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000852751531 731630084 /nfs/dbraw/zinc/63/00/84/731630084.db2.gz GYOAJNYWHRIFPD-UHFFFAOYSA-N 1 2 362.779 3.269 20 30 FGEDLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000857899823 732167174 /nfs/dbraw/zinc/16/71/74/732167174.db2.gz QERIZPOAEAXKHJ-JTQLQIEISA-N 1 2 367.352 3.112 20 30 FGEDLO CN(C)C(=S)NN=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863091725 732914675 /nfs/dbraw/zinc/91/46/75/732914675.db2.gz PBKLFJVPELSUGA-CQSZACIVSA-N 1 2 369.332 3.008 20 30 FGEDLO CN(C)C(=S)NN=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863091725 732914679 /nfs/dbraw/zinc/91/46/79/732914679.db2.gz PBKLFJVPELSUGA-CQSZACIVSA-N 1 2 369.332 3.008 20 30 FGEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866354336 733339265 /nfs/dbraw/zinc/33/92/65/733339265.db2.gz HIZVEYNPCKHDFY-ZIAGYGMSSA-N 1 2 358.463 3.469 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000877664737 736701954 /nfs/dbraw/zinc/70/19/54/736701954.db2.gz WSMPZWGNCNBUBM-AWEZNQCLSA-N 1 2 355.747 3.449 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881147333 737294881 /nfs/dbraw/zinc/29/48/81/737294881.db2.gz LGGJEKGCZLJRDJ-CQSZACIVSA-N 1 2 355.467 3.120 20 30 FGEDLO FC1(F)[C@@H]2C[NH+](Cc3cncnc3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055054 742636902 /nfs/dbraw/zinc/63/69/02/742636902.db2.gz MGDZNMQADRGKPB-RKDXNWHRSA-N 1 2 361.236 3.079 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccsc3C#N)CC2)c1 ZINC000906569805 744143876 /nfs/dbraw/zinc/14/38/76/744143876.db2.gz NLDGPXPUHIRMCC-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000915950997 758010117 /nfs/dbraw/zinc/01/01/17/758010117.db2.gz FYPXYJZUUMEHLW-BFYDXBDKSA-N 1 2 359.543 3.327 20 30 FGEDLO C[N@H+](CC1CCC(C#N)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000930066160 760520450 /nfs/dbraw/zinc/52/04/50/760520450.db2.gz BPDAOIVFSNETGS-SEEARECTSA-N 1 2 352.887 3.430 20 30 FGEDLO C[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000930066160 760520457 /nfs/dbraw/zinc/52/04/57/760520457.db2.gz BPDAOIVFSNETGS-SEEARECTSA-N 1 2 352.887 3.430 20 30 FGEDLO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cnc1Br ZINC000930541663 760636124 /nfs/dbraw/zinc/63/61/24/760636124.db2.gz NRYQNPFSUAPUPK-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cnc1Br ZINC000930541663 760636131 /nfs/dbraw/zinc/63/61/31/760636131.db2.gz NRYQNPFSUAPUPK-HNNXBMFYSA-N 1 2 373.254 3.073 20 30 FGEDLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000932651370 761208623 /nfs/dbraw/zinc/20/86/23/761208623.db2.gz FCCUCJMWELAFLD-UHFFFAOYSA-N 1 2 358.335 3.405 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c(Br)c1 ZINC000933647486 761445166 /nfs/dbraw/zinc/44/51/66/761445166.db2.gz BSOJODDWKUWGQT-UHFFFAOYSA-N 1 2 361.239 3.158 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC000970447429 762875097 /nfs/dbraw/zinc/87/50/97/762875097.db2.gz QGABEBFNLHENHA-DFHBCGBQSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001008559066 765675837 /nfs/dbraw/zinc/67/58/37/765675837.db2.gz MYXXUOULAROKGY-CFVMTHIKSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001008559066 765675840 /nfs/dbraw/zinc/67/58/40/765675840.db2.gz MYXXUOULAROKGY-CFVMTHIKSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001014471922 765783320 /nfs/dbraw/zinc/78/33/20/765783320.db2.gz TUDPBWKGGRMRJS-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001014471922 765783325 /nfs/dbraw/zinc/78/33/25/765783325.db2.gz TUDPBWKGGRMRJS-RKVPGOIHSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)s1 ZINC001029480655 766148314 /nfs/dbraw/zinc/14/83/14/766148314.db2.gz DVWXTJKTHHXMRE-CLWVCHIJSA-N 1 2 366.914 3.168 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)s1 ZINC001029480655 766148316 /nfs/dbraw/zinc/14/83/16/766148316.db2.gz DVWXTJKTHHXMRE-CLWVCHIJSA-N 1 2 366.914 3.168 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2sccc2Cl)C1 ZINC001032040546 766193227 /nfs/dbraw/zinc/19/32/27/766193227.db2.gz ITKRVEYCKTUOBX-YOEHRIQHSA-N 1 2 368.930 3.321 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001033405880 766214128 /nfs/dbraw/zinc/21/41/28/766214128.db2.gz PROQREHIIIAHQG-MGPQQGTHSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001033405880 766214132 /nfs/dbraw/zinc/21/41/32/766214132.db2.gz PROQREHIIIAHQG-MGPQQGTHSA-N 1 2 354.828 3.354 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038267677 766270432 /nfs/dbraw/zinc/27/04/32/766270432.db2.gz YHTKQULIMUZMHR-GUTXKFCHSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038267677 766270438 /nfs/dbraw/zinc/27/04/38/766270438.db2.gz YHTKQULIMUZMHR-GUTXKFCHSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1Cl ZINC001038801501 766289776 /nfs/dbraw/zinc/28/97/76/766289776.db2.gz ZHOAJJIVLAICHO-LNLFQRSKSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1Cl ZINC001038801501 766289777 /nfs/dbraw/zinc/28/97/77/766289777.db2.gz ZHOAJJIVLAICHO-LNLFQRSKSA-N 1 2 362.901 3.402 20 30 FGEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CO2 ZINC001053905322 766995607 /nfs/dbraw/zinc/99/56/07/766995607.db2.gz DACQIWQJVKMXEF-MGPQQGTHSA-N 1 2 366.914 3.041 20 30 FGEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000302121336 257384160 /nfs/dbraw/zinc/38/41/60/257384160.db2.gz UKLCUBNGWWURLS-GASCZTMLSA-N 1 2 364.449 3.382 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537376 505571103 /nfs/dbraw/zinc/57/11/03/505571103.db2.gz GYHNOAODGZDBHG-XNJGSVPQSA-N 1 2 354.372 3.345 20 30 FGEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O2 ZINC000579537376 505571105 /nfs/dbraw/zinc/57/11/05/505571105.db2.gz GYHNOAODGZDBHG-XNJGSVPQSA-N 1 2 354.372 3.345 20 30 FGEDLO N#Cc1ccc(CCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000573810822 505626411 /nfs/dbraw/zinc/62/64/11/505626411.db2.gz DHEIXZNBOMSCEG-UHFFFAOYSA-N 1 2 374.444 3.226 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)CSCc2ccc(C#N)cc2)c[nH+]1 ZINC000057518840 493771507 /nfs/dbraw/zinc/77/15/07/493771507.db2.gz FJVBWVGGRFUJFJ-UHFFFAOYSA-N 1 2 368.506 3.349 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057623124 493780575 /nfs/dbraw/zinc/78/05/75/493780575.db2.gz HEBJDEDSSFFGCN-UHFFFAOYSA-N 1 2 360.498 3.267 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057623124 493780576 /nfs/dbraw/zinc/78/05/76/493780576.db2.gz HEBJDEDSSFFGCN-UHFFFAOYSA-N 1 2 360.498 3.267 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000048246585 493807251 /nfs/dbraw/zinc/80/72/51/493807251.db2.gz PAYRZCNZRQMCBZ-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000058453443 493856119 /nfs/dbraw/zinc/85/61/19/493856119.db2.gz KHPJASDBEMXVFZ-UHFFFAOYSA-N 1 2 364.449 3.021 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000029856700 493862872 /nfs/dbraw/zinc/86/28/72/493862872.db2.gz ABMSLHZGOFHSAE-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)cc1 ZINC000049620121 493877846 /nfs/dbraw/zinc/87/78/46/493877846.db2.gz GRHBVTXOIJXUEG-UHFFFAOYSA-N 1 2 363.461 3.109 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC000030265107 493882208 /nfs/dbraw/zinc/88/22/08/493882208.db2.gz AILOIAAORFUAMX-UHFFFAOYSA-N 1 2 371.387 3.118 20 30 FGEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3sccc3C#N)CCCC2)no1 ZINC000052050396 494003098 /nfs/dbraw/zinc/00/30/98/494003098.db2.gz NBOGPYZDBUEAAK-UHFFFAOYSA-N 1 2 373.482 3.044 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297582 494041016 /nfs/dbraw/zinc/04/10/16/494041016.db2.gz LLGZCKYQOMYXGY-UHFFFAOYSA-N 1 2 357.385 3.038 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000063297582 494041021 /nfs/dbraw/zinc/04/10/21/494041021.db2.gz LLGZCKYQOMYXGY-UHFFFAOYSA-N 1 2 357.385 3.038 20 30 FGEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)c1 ZINC000064039449 494103298 /nfs/dbraw/zinc/10/32/98/494103298.db2.gz XJNRLVRDUICKEI-UHFFFAOYSA-N 1 2 365.502 3.303 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000072033973 494118735 /nfs/dbraw/zinc/11/87/35/494118735.db2.gz JPFIEZOSQOXSOK-UHFFFAOYSA-N 1 2 374.429 3.122 20 30 FGEDLO CC(C)(C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000064632806 494139473 /nfs/dbraw/zinc/13/94/73/494139473.db2.gz OGIUDJYLBRHREN-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO CC(C)(C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000064632806 494139477 /nfs/dbraw/zinc/13/94/77/494139477.db2.gz OGIUDJYLBRHREN-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000054229961 494210369 /nfs/dbraw/zinc/21/03/69/494210369.db2.gz KYSJJYPMYZQXND-UHFFFAOYSA-N 1 2 355.438 3.403 20 30 FGEDLO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000088562413 494249978 /nfs/dbraw/zinc/24/99/78/494249978.db2.gz LOADDDZUXSAAPZ-INIZCTEOSA-N 1 2 354.479 3.289 20 30 FGEDLO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000088562413 494249980 /nfs/dbraw/zinc/24/99/80/494249980.db2.gz LOADDDZUXSAAPZ-INIZCTEOSA-N 1 2 354.479 3.289 20 30 FGEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000054678048 494260285 /nfs/dbraw/zinc/26/02/85/494260285.db2.gz ZWFQXILPBWPTGA-NSHDSACASA-N 1 2 373.844 3.110 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000043881871 494328930 /nfs/dbraw/zinc/32/89/30/494328930.db2.gz RAQPSVOPZJBLPK-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540249 494351946 /nfs/dbraw/zinc/35/19/46/494351946.db2.gz SJCLKZDVWSDRDY-SFTDATJTSA-N 1 2 350.466 3.157 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540249 494351948 /nfs/dbraw/zinc/35/19/48/494351948.db2.gz SJCLKZDVWSDRDY-SFTDATJTSA-N 1 2 350.466 3.157 20 30 FGEDLO Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742101 494367046 /nfs/dbraw/zinc/36/70/46/494367046.db2.gz WRUNTXRBEVKRCE-UHFFFAOYSA-N 1 2 365.502 3.303 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccc(C#N)cc1 ZINC000073615767 494399855 /nfs/dbraw/zinc/39/98/55/494399855.db2.gz KBRHXQUIMUGOCE-UHFFFAOYSA-N 1 2 363.465 3.014 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccc(C#N)cc1 ZINC000073615767 494399857 /nfs/dbraw/zinc/39/98/57/494399857.db2.gz KBRHXQUIMUGOCE-UHFFFAOYSA-N 1 2 363.465 3.014 20 30 FGEDLO CCc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843508 494418498 /nfs/dbraw/zinc/41/84/98/494418498.db2.gz GIGCVZMVJDLTEZ-UHFFFAOYSA-N 1 2 361.489 3.398 20 30 FGEDLO COC[C@@](C)(C#N)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090689008 494493860 /nfs/dbraw/zinc/49/38/60/494493860.db2.gz ODHPWQQHNLQQKJ-HXUWFJFHSA-N 1 2 354.454 3.129 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023258385 494559118 /nfs/dbraw/zinc/55/91/18/494559118.db2.gz WCYVERMXHMFHMR-SFHVURJKSA-N 1 2 362.477 3.012 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 ZINC000023691815 494576547 /nfs/dbraw/zinc/57/65/47/494576547.db2.gz ORTWJULHWWITRG-UHFFFAOYSA-N 1 2 363.248 3.151 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000023876445 494587566 /nfs/dbraw/zinc/58/75/66/494587566.db2.gz QRKRSSXXZQATCW-UHFFFAOYSA-N 1 2 362.408 3.137 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645892 494593511 /nfs/dbraw/zinc/59/35/11/494593511.db2.gz GASYLJROPKZFPU-UHFFFAOYSA-N 1 2 363.396 3.225 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOc2ccccc2C1 ZINC000080103111 494595317 /nfs/dbraw/zinc/59/53/17/494595317.db2.gz DERMGTRXJQJTBE-INIZCTEOSA-N 1 2 367.424 3.355 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOc2ccccc2C1 ZINC000080103111 494595326 /nfs/dbraw/zinc/59/53/26/494595326.db2.gz DERMGTRXJQJTBE-INIZCTEOSA-N 1 2 367.424 3.355 20 30 FGEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000571448704 505735663 /nfs/dbraw/zinc/73/56/63/505735663.db2.gz SNGCDZGUVNICPS-UHFFFAOYSA-N 1 2 371.462 3.120 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000025410271 494736744 /nfs/dbraw/zinc/73/67/44/494736744.db2.gz BRUYTZYIJDSIHT-CYBMUJFWSA-N 1 2 351.475 3.494 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000025410271 494736752 /nfs/dbraw/zinc/73/67/52/494736752.db2.gz BRUYTZYIJDSIHT-CYBMUJFWSA-N 1 2 351.475 3.494 20 30 FGEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1ccc(F)cc1 ZINC000092936439 494791747 /nfs/dbraw/zinc/79/17/47/494791747.db2.gz NGAYSEOESBGQCT-UHFFFAOYSA-N 1 2 369.440 3.054 20 30 FGEDLO CCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1ccccc1 ZINC000092936314 494792088 /nfs/dbraw/zinc/79/20/88/494792088.db2.gz AGGNXYSFZWJCCQ-UHFFFAOYSA-N 1 2 365.477 3.305 20 30 FGEDLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000092976792 494799163 /nfs/dbraw/zinc/79/91/63/494799163.db2.gz KMJLFVVEFIFKJO-UHFFFAOYSA-N 1 2 361.449 3.286 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccco3)C[C@H]3CCCO3)o2)cc1 ZINC000075647101 494809687 /nfs/dbraw/zinc/80/96/87/494809687.db2.gz FNRJLGBMSRFJHX-GOSISDBHSA-N 1 2 364.405 3.382 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccco3)C[C@H]3CCCO3)o2)cc1 ZINC000075647101 494809691 /nfs/dbraw/zinc/80/96/91/494809691.db2.gz FNRJLGBMSRFJHX-GOSISDBHSA-N 1 2 364.405 3.382 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCCCC)CC2)c1C ZINC000075700017 494818099 /nfs/dbraw/zinc/81/80/99/494818099.db2.gz WAZKQUIPPVJDOL-UHFFFAOYSA-N 1 2 359.514 3.102 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371658 494823102 /nfs/dbraw/zinc/82/31/02/494823102.db2.gz FREAMPDAKQXOJZ-GOSISDBHSA-N 1 2 357.498 3.071 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000026371658 494823105 /nfs/dbraw/zinc/82/31/05/494823105.db2.gz FREAMPDAKQXOJZ-GOSISDBHSA-N 1 2 357.498 3.071 20 30 FGEDLO C=CCNC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000126732237 494827895 /nfs/dbraw/zinc/82/78/95/494827895.db2.gz LXGBMOWFEJDNRI-NSHDSACASA-N 1 2 373.869 3.252 20 30 FGEDLO FC(F)n1ccnc1CN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000126861649 494851324 /nfs/dbraw/zinc/85/13/24/494851324.db2.gz RHSHBCFLRRTBTO-UHFFFAOYSA-N 1 2 364.827 3.101 20 30 FGEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000116877239 494865241 /nfs/dbraw/zinc/86/52/41/494865241.db2.gz HRAVTSBIPPHBLN-MRXNPFEDSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1cc(C[N@H+]2CCOC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000116877239 494865244 /nfs/dbraw/zinc/86/52/44/494865244.db2.gz HRAVTSBIPPHBLN-MRXNPFEDSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000116877242 494865298 /nfs/dbraw/zinc/86/52/98/494865298.db2.gz HRAVTSBIPPHBLN-INIZCTEOSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000116877242 494865302 /nfs/dbraw/zinc/86/53/02/494865302.db2.gz HRAVTSBIPPHBLN-INIZCTEOSA-N 1 2 352.434 3.367 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3cnn(C)c3)n2)cc1 ZINC000027539322 494871779 /nfs/dbraw/zinc/87/17/79/494871779.db2.gz UCMJJLISYBWGAK-UHFFFAOYSA-N 1 2 371.466 3.272 20 30 FGEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3cnn(C)c3)n2)cc1 ZINC000027539322 494871782 /nfs/dbraw/zinc/87/17/82/494871782.db2.gz UCMJJLISYBWGAK-UHFFFAOYSA-N 1 2 371.466 3.272 20 30 FGEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000117076660 494889960 /nfs/dbraw/zinc/88/99/60/494889960.db2.gz HNVWINOGPYVGDH-HNNXBMFYSA-N 1 2 362.433 3.329 20 30 FGEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093772917 494920152 /nfs/dbraw/zinc/92/01/52/494920152.db2.gz UCWHHMGJMSBRTQ-MRXNPFEDSA-N 1 2 354.454 3.236 20 30 FGEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093772917 494920155 /nfs/dbraw/zinc/92/01/55/494920155.db2.gz UCWHHMGJMSBRTQ-MRXNPFEDSA-N 1 2 354.454 3.236 20 30 FGEDLO C=CCCCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000571508694 505749994 /nfs/dbraw/zinc/74/99/94/505749994.db2.gz RWSRNIIXIVZSLC-UHFFFAOYSA-N 1 2 350.466 3.410 20 30 FGEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096573582 495013117 /nfs/dbraw/zinc/01/31/17/495013117.db2.gz SLPVGBRMBPHRTF-UHFFFAOYSA-N 1 2 365.502 3.136 20 30 FGEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000123270792 495106176 /nfs/dbraw/zinc/10/61/76/495106176.db2.gz HRHWRDGWQNUPFU-OAHLLOKOSA-N 1 2 357.397 3.037 20 30 FGEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000123270792 495106179 /nfs/dbraw/zinc/10/61/79/495106179.db2.gz HRHWRDGWQNUPFU-OAHLLOKOSA-N 1 2 357.397 3.037 20 30 FGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000119383288 495155553 /nfs/dbraw/zinc/15/55/53/495155553.db2.gz NALWHKNLQORBRE-INIZCTEOSA-N 1 2 368.437 3.312 20 30 FGEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000119383288 495155557 /nfs/dbraw/zinc/15/55/57/495155557.db2.gz NALWHKNLQORBRE-INIZCTEOSA-N 1 2 368.437 3.312 20 30 FGEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112341673 495177519 /nfs/dbraw/zinc/17/75/19/495177519.db2.gz GIJDNTVDXGQXJB-SFTDATJTSA-N 1 2 366.440 3.050 20 30 FGEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112341673 495177520 /nfs/dbraw/zinc/17/75/20/495177520.db2.gz GIJDNTVDXGQXJB-SFTDATJTSA-N 1 2 366.440 3.050 20 30 FGEDLO C=CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000119535389 495185482 /nfs/dbraw/zinc/18/54/82/495185482.db2.gz PCOPZDYTRSNJCL-AWEZNQCLSA-N 1 2 364.294 3.047 20 30 FGEDLO C=CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000119535389 495185485 /nfs/dbraw/zinc/18/54/85/495185485.db2.gz PCOPZDYTRSNJCL-AWEZNQCLSA-N 1 2 364.294 3.047 20 30 FGEDLO CCCn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000123812431 495190278 /nfs/dbraw/zinc/19/02/78/495190278.db2.gz APZOUQOEAOCJQI-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO CCOc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000123812679 495190772 /nfs/dbraw/zinc/19/07/72/495190772.db2.gz ZFHKPFRCMFGTJS-UHFFFAOYSA-N 1 2 373.460 3.222 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1C ZINC000103472613 495237353 /nfs/dbraw/zinc/23/73/53/495237353.db2.gz GUSDWSMABHWCHP-KRWDZBQOSA-N 1 2 373.541 3.346 20 30 FGEDLO Cc1cc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc[nH+]1 ZINC000119886624 495262306 /nfs/dbraw/zinc/26/23/06/495262306.db2.gz UGKKXIVLKYSQAE-UHFFFAOYSA-N 1 2 372.432 3.164 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(F)c1 ZINC000124472833 495293470 /nfs/dbraw/zinc/29/34/70/495293470.db2.gz OXMYOTCFOVDPOF-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000104836940 495309785 /nfs/dbraw/zinc/30/97/85/495309785.db2.gz WIQYDDDOODRXIG-KRWDZBQOSA-N 1 2 354.479 3.418 20 30 FGEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000104836940 495309789 /nfs/dbraw/zinc/30/97/89/495309789.db2.gz WIQYDDDOODRXIG-KRWDZBQOSA-N 1 2 354.479 3.418 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000105004861 495324671 /nfs/dbraw/zinc/32/46/71/495324671.db2.gz XWYGVSLVULCESX-HZPDHXFCSA-N 1 2 356.470 3.063 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000577696085 505777018 /nfs/dbraw/zinc/77/70/18/505777018.db2.gz XZQJFABRDBYXJN-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1C(F)(F)F ZINC000136922335 495410001 /nfs/dbraw/zinc/41/00/01/495410001.db2.gz OIUTUXKUFGNQAJ-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000120599412 495414617 /nfs/dbraw/zinc/41/46/17/495414617.db2.gz PGZBCCFFIQXGBR-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000120599412 495414622 /nfs/dbraw/zinc/41/46/22/495414622.db2.gz PGZBCCFFIQXGBR-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000114731201 495417867 /nfs/dbraw/zinc/41/78/67/495417867.db2.gz XNXTUDGYVUDZMG-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000114731201 495417868 /nfs/dbraw/zinc/41/78/68/495417868.db2.gz XNXTUDGYVUDZMG-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1cccs1 ZINC000138164417 495456054 /nfs/dbraw/zinc/45/60/54/495456054.db2.gz FKRFUJWMNWSWEG-LJQANCHMSA-N 1 2 356.491 3.053 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)Cc1cccs1 ZINC000138164417 495456057 /nfs/dbraw/zinc/45/60/57/495456057.db2.gz FKRFUJWMNWSWEG-LJQANCHMSA-N 1 2 356.491 3.053 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115072317 495459119 /nfs/dbraw/zinc/45/91/19/495459119.db2.gz NZCRNCTWWGQOLE-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115072317 495459124 /nfs/dbraw/zinc/45/91/24/495459124.db2.gz NZCRNCTWWGQOLE-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)s1 ZINC000125739428 495490456 /nfs/dbraw/zinc/49/04/56/495490456.db2.gz PUWKJVKUQYDRGB-OAHLLOKOSA-N 1 2 371.441 3.133 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c2ccccc21 ZINC000580560758 505786341 /nfs/dbraw/zinc/78/63/41/505786341.db2.gz WTWBKDNQLDIFHZ-HXUWFJFHSA-N 1 2 351.450 3.239 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)c2ccccc21 ZINC000580560758 505786342 /nfs/dbraw/zinc/78/63/42/505786342.db2.gz WTWBKDNQLDIFHZ-HXUWFJFHSA-N 1 2 351.450 3.239 20 30 FGEDLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597212 495520670 /nfs/dbraw/zinc/52/06/70/495520670.db2.gz HEYKDECQWCQBEK-VBKZILBWSA-N 1 2 367.449 3.233 20 30 FGEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000170647033 495544771 /nfs/dbraw/zinc/54/47/71/495544771.db2.gz OSPXPXDBCOKNFB-UHFFFAOYSA-N 1 2 367.424 3.101 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000158610355 495550505 /nfs/dbraw/zinc/55/05/05/495550505.db2.gz ZKXXFAOTIGPGEO-MJGOQNOKSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000158610355 495550508 /nfs/dbraw/zinc/55/05/08/495550508.db2.gz ZKXXFAOTIGPGEO-MJGOQNOKSA-N 1 2 359.491 3.290 20 30 FGEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000173555806 495586751 /nfs/dbraw/zinc/58/67/51/495586751.db2.gz XUDSRGVBZLTYCT-UHFFFAOYSA-N 1 2 373.416 3.125 20 30 FGEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000173555806 495586758 /nfs/dbraw/zinc/58/67/58/495586758.db2.gz XUDSRGVBZLTYCT-UHFFFAOYSA-N 1 2 373.416 3.125 20 30 FGEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000170819273 495612970 /nfs/dbraw/zinc/61/29/70/495612970.db2.gz MLDLJUAHMOQIOV-GOSISDBHSA-N 1 2 366.465 3.015 20 30 FGEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000170819273 495612975 /nfs/dbraw/zinc/61/29/75/495612975.db2.gz MLDLJUAHMOQIOV-GOSISDBHSA-N 1 2 366.465 3.015 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837020 495621085 /nfs/dbraw/zinc/62/10/85/495621085.db2.gz ZJVYBHAYJGYJEO-UHFFFAOYSA-N 1 2 371.934 3.210 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837020 495621095 /nfs/dbraw/zinc/62/10/95/495621095.db2.gz ZJVYBHAYJGYJEO-UHFFFAOYSA-N 1 2 371.934 3.210 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)cs1 ZINC000179572241 495645490 /nfs/dbraw/zinc/64/54/90/495645490.db2.gz IMBLWTFNIYFHOG-UHFFFAOYSA-N 1 2 356.451 3.039 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C#N)cs1 ZINC000179572241 495645491 /nfs/dbraw/zinc/64/54/91/495645491.db2.gz IMBLWTFNIYFHOG-UHFFFAOYSA-N 1 2 356.451 3.039 20 30 FGEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C(C)C)C2 ZINC000185649968 495661765 /nfs/dbraw/zinc/66/17/65/495661765.db2.gz FCCKTFMPPQTUQQ-UHFFFAOYSA-N 1 2 371.462 3.092 20 30 FGEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C(C)C)C2 ZINC000185649968 495661770 /nfs/dbraw/zinc/66/17/70/495661770.db2.gz FCCKTFMPPQTUQQ-UHFFFAOYSA-N 1 2 371.462 3.092 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000179641955 495673231 /nfs/dbraw/zinc/67/32/31/495673231.db2.gz ZMQBFEHLQGUPDN-AWEZNQCLSA-N 1 2 372.469 3.076 20 30 FGEDLO C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186022287 495824998 /nfs/dbraw/zinc/82/49/98/495824998.db2.gz WYQOGYQNAIWOIH-HNNXBMFYSA-N 1 2 355.405 3.498 20 30 FGEDLO Cc1ccc(C(N)=[NH+]OCc2nc([C@@H](C)OCC(C)C)no2)cc1F ZINC000174112715 495825199 /nfs/dbraw/zinc/82/51/99/495825199.db2.gz SHOSONLFAYOHKN-GFCCVEGCSA-N 1 2 350.394 3.088 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180067081 495842502 /nfs/dbraw/zinc/84/25/02/495842502.db2.gz VSBOUOUVAMMZKC-YQQAZPJKSA-N 1 2 353.426 3.289 20 30 FGEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000176938173 495849761 /nfs/dbraw/zinc/84/97/61/495849761.db2.gz KFPLFOBNAWNELM-UHFFFAOYSA-N 1 2 370.478 3.061 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165177 495888591 /nfs/dbraw/zinc/88/85/91/495888591.db2.gz ZVLCBIKNUIOJNC-OAQYLSRUSA-N 1 2 374.444 3.238 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165177 495888593 /nfs/dbraw/zinc/88/85/93/495888593.db2.gz ZVLCBIKNUIOJNC-OAQYLSRUSA-N 1 2 374.444 3.238 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000155265974 495896260 /nfs/dbraw/zinc/89/62/60/495896260.db2.gz GIGDEQVCRMSCTI-IBGZPJMESA-N 1 2 369.538 3.372 20 30 FGEDLO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000174357036 495926610 /nfs/dbraw/zinc/92/66/10/495926610.db2.gz RHCZNJHBUNZNTJ-UHFFFAOYSA-N 1 2 351.200 3.221 20 30 FGEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000177169284 495958496 /nfs/dbraw/zinc/95/84/96/495958496.db2.gz JUIZQEMXQIKVTG-AWEZNQCLSA-N 1 2 361.429 3.202 20 30 FGEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000177169284 495958501 /nfs/dbraw/zinc/95/85/01/495958501.db2.gz JUIZQEMXQIKVTG-AWEZNQCLSA-N 1 2 361.429 3.202 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000180364888 495967542 /nfs/dbraw/zinc/96/75/42/495967542.db2.gz GNXTYYJSUFCJKY-HZPDHXFCSA-N 1 2 351.516 3.165 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)c(C#N)c1C ZINC000177260058 495998065 /nfs/dbraw/zinc/99/80/65/495998065.db2.gz TXIKUKJEIWIHJE-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)c(C#N)c1C ZINC000177260058 495998072 /nfs/dbraw/zinc/99/80/72/495998072.db2.gz TXIKUKJEIWIHJE-UHFFFAOYSA-N 1 2 357.479 3.494 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160609968 496002834 /nfs/dbraw/zinc/00/28/34/496002834.db2.gz ILNMHXDYFFQNIQ-HKUYNNGSSA-N 1 2 365.481 3.429 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000174625698 496037385 /nfs/dbraw/zinc/03/73/85/496037385.db2.gz AZUYRIALSFURKG-LBPRGKRZSA-N 1 2 373.840 3.385 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000174625698 496037388 /nfs/dbraw/zinc/03/73/88/496037388.db2.gz AZUYRIALSFURKG-LBPRGKRZSA-N 1 2 373.840 3.385 20 30 FGEDLO N#CCc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000171801944 496041479 /nfs/dbraw/zinc/04/14/79/496041479.db2.gz MVXQXGHNLQGTAE-UHFFFAOYSA-N 1 2 360.417 3.302 20 30 FGEDLO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000152124117 496054939 /nfs/dbraw/zinc/05/49/39/496054939.db2.gz OJMNYAXBSLMMRY-INIZCTEOSA-N 1 2 359.433 3.491 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000568983801 505824112 /nfs/dbraw/zinc/82/41/12/505824112.db2.gz OBJDXIMSNFZCBC-UHFFFAOYSA-N 1 2 369.494 3.242 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c1C ZINC000177605099 496129770 /nfs/dbraw/zinc/12/97/70/496129770.db2.gz MVFDMHCQAKGKJU-HXUWFJFHSA-N 1 2 356.466 3.148 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)c1C ZINC000177605099 496129773 /nfs/dbraw/zinc/12/97/73/496129773.db2.gz MVFDMHCQAKGKJU-HXUWFJFHSA-N 1 2 356.466 3.148 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1C#N ZINC000174900755 496154627 /nfs/dbraw/zinc/15/46/27/496154627.db2.gz IMCJOVQMBBWARM-UHFFFAOYSA-N 1 2 354.479 3.393 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000183960391 496177736 /nfs/dbraw/zinc/17/77/36/496177736.db2.gz AWSRGEQNEAYTGG-KRWDZBQOSA-N 1 2 363.461 3.476 20 30 FGEDLO N#CCCn1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000174977015 496190417 /nfs/dbraw/zinc/19/04/17/496190417.db2.gz UWLNYNMAACBDLT-UHFFFAOYSA-N 1 2 373.460 3.438 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000174985332 496195053 /nfs/dbraw/zinc/19/50/53/496195053.db2.gz XJQUWUNJRNJVHM-KKSFZXQISA-N 1 2 371.444 3.375 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000174985332 496195058 /nfs/dbraw/zinc/19/50/58/496195058.db2.gz XJQUWUNJRNJVHM-KKSFZXQISA-N 1 2 371.444 3.375 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000172313377 496249441 /nfs/dbraw/zinc/24/94/41/496249441.db2.gz CDOBEQIKZMFTDV-KUHUBIRLSA-N 1 2 353.853 3.468 20 30 FGEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000172313377 496249443 /nfs/dbraw/zinc/24/94/43/496249443.db2.gz CDOBEQIKZMFTDV-KUHUBIRLSA-N 1 2 353.853 3.468 20 30 FGEDLO COc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)ccc1C ZINC000172396338 496281512 /nfs/dbraw/zinc/28/15/12/496281512.db2.gz FRWFOODOJOXFSU-KRWDZBQOSA-N 1 2 363.461 3.394 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000187862927 496599427 /nfs/dbraw/zinc/59/94/27/496599427.db2.gz SVLJXVYGPWLONN-QRWLVFNGSA-N 1 2 366.452 3.274 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000187862927 496599432 /nfs/dbraw/zinc/59/94/32/496599432.db2.gz SVLJXVYGPWLONN-QRWLVFNGSA-N 1 2 366.452 3.274 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185253677 496718446 /nfs/dbraw/zinc/71/84/46/496718446.db2.gz PRCGBIGNSZAGTP-ZDUSSCGKSA-N 1 2 353.426 3.278 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000185298297 496725884 /nfs/dbraw/zinc/72/58/84/496725884.db2.gz RVLZJERFODBHSF-HNNXBMFYSA-N 1 2 360.889 3.234 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000264120168 496816687 /nfs/dbraw/zinc/81/66/87/496816687.db2.gz MELXMJCDKCLQDX-UHFFFAOYSA-N 1 2 359.433 3.127 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)s1 ZINC000273668014 496869419 /nfs/dbraw/zinc/86/94/19/496869419.db2.gz YUSHLRLZMJJVEI-NSHDSACASA-N 1 2 363.874 3.097 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188774842 496905131 /nfs/dbraw/zinc/90/51/31/496905131.db2.gz YZWHBTHMAVLKKB-IBGZPJMESA-N 1 2 350.890 3.043 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188774842 496905136 /nfs/dbraw/zinc/90/51/36/496905136.db2.gz YZWHBTHMAVLKKB-IBGZPJMESA-N 1 2 350.890 3.043 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247774072 496913356 /nfs/dbraw/zinc/91/33/56/496913356.db2.gz QAHNYPCZBSVSEP-YOEHRIQHSA-N 1 2 369.469 3.283 20 30 FGEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247774072 496913362 /nfs/dbraw/zinc/91/33/62/496913362.db2.gz QAHNYPCZBSVSEP-YOEHRIQHSA-N 1 2 369.469 3.283 20 30 FGEDLO C=CCNC(=O)c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000264864456 497000262 /nfs/dbraw/zinc/00/02/62/497000262.db2.gz LIDWQWCQPTULOP-UHFFFAOYSA-N 1 2 361.449 3.258 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000192254114 497049515 /nfs/dbraw/zinc/04/95/15/497049515.db2.gz AHHYHLIYWAOPDA-UHFFFAOYSA-N 1 2 350.466 3.288 20 30 FGEDLO COc1cc(OC)c(OC)cc1CNc1[nH+]cccc1OCCCC#N ZINC000274273177 497057691 /nfs/dbraw/zinc/05/76/91/497057691.db2.gz RMWIOEBACHXPBS-UHFFFAOYSA-N 1 2 357.410 3.402 20 30 FGEDLO C#CC[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000270193295 497074183 /nfs/dbraw/zinc/07/41/83/497074183.db2.gz DCNXBBRLMGQYOG-IBGZPJMESA-N 1 2 364.449 3.113 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265235558 497078147 /nfs/dbraw/zinc/07/81/47/497078147.db2.gz NPJMKNAMPRZVLK-CYBMUJFWSA-N 1 2 361.371 3.250 20 30 FGEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000274522668 497117715 /nfs/dbraw/zinc/11/77/15/497117715.db2.gz YXQZMQWQYLZTSK-LJQANCHMSA-N 1 2 350.418 3.063 20 30 FGEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000274522668 497117721 /nfs/dbraw/zinc/11/77/21/497117721.db2.gz YXQZMQWQYLZTSK-LJQANCHMSA-N 1 2 350.418 3.063 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)s1 ZINC000189526451 497151422 /nfs/dbraw/zinc/15/14/22/497151422.db2.gz OJCOWQDYTDPHNT-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278945363 497275760 /nfs/dbraw/zinc/27/57/60/497275760.db2.gz NYZRQQCURYMUEQ-ZETCQYMHSA-N 1 2 360.386 3.384 20 30 FGEDLO N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000189901359 497286161 /nfs/dbraw/zinc/28/61/61/497286161.db2.gz GGLKGXVDGGHOPY-UHFFFAOYSA-N 1 2 358.357 3.323 20 30 FGEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000255724523 497373603 /nfs/dbraw/zinc/37/36/03/497373603.db2.gz FRRGMUKWMAQMLD-DAXSKMNVSA-N 1 2 367.399 3.308 20 30 FGEDLO C#CC[C@@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1 ZINC000271753236 497438551 /nfs/dbraw/zinc/43/85/51/497438551.db2.gz YATAMCXOAQALSI-QGZVFWFLSA-N 1 2 368.458 3.476 20 30 FGEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1O ZINC000266969555 497458303 /nfs/dbraw/zinc/45/83/03/497458303.db2.gz ZKWDPDPKZSUFSQ-UHFFFAOYSA-N 1 2 371.462 3.087 20 30 FGEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1O ZINC000266969555 497458308 /nfs/dbraw/zinc/45/83/08/497458308.db2.gz ZKWDPDPKZSUFSQ-UHFFFAOYSA-N 1 2 371.462 3.087 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1)OCC ZINC000271930378 497490518 /nfs/dbraw/zinc/49/05/18/497490518.db2.gz PMTFKPNQZDWCEV-OAQYLSRUSA-N 1 2 367.493 3.382 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2cccc(SC)c2)n1 ZINC000279718286 497520229 /nfs/dbraw/zinc/52/02/29/497520229.db2.gz LIRHHSOJOLYVDS-OAHLLOKOSA-N 1 2 356.495 3.087 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2cccc(SC)c2)n1 ZINC000279718286 497520234 /nfs/dbraw/zinc/52/02/34/497520234.db2.gz LIRHHSOJOLYVDS-OAHLLOKOSA-N 1 2 356.495 3.087 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000245740979 497524181 /nfs/dbraw/zinc/52/41/81/497524181.db2.gz DYFCPIYOLRDEAX-DOMZBBRYSA-N 1 2 355.360 3.172 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000245740979 497524183 /nfs/dbraw/zinc/52/41/83/497524183.db2.gz DYFCPIYOLRDEAX-DOMZBBRYSA-N 1 2 355.360 3.172 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245772976 497535509 /nfs/dbraw/zinc/53/55/09/497535509.db2.gz SSAYLKXRZJVDTM-ROUUACIJSA-N 1 2 363.889 3.095 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245772976 497535512 /nfs/dbraw/zinc/53/55/12/497535512.db2.gz SSAYLKXRZJVDTM-ROUUACIJSA-N 1 2 363.889 3.095 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3nnc(CC)[nH]3)CC2)c1C ZINC000190703042 497578687 /nfs/dbraw/zinc/57/86/87/497578687.db2.gz JYHOGMYXDZEYJU-UHFFFAOYSA-N 1 2 355.486 3.034 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3nc(CC)n[nH]3)CC2)c1C ZINC000190703042 497578689 /nfs/dbraw/zinc/57/86/89/497578689.db2.gz JYHOGMYXDZEYJU-UHFFFAOYSA-N 1 2 355.486 3.034 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3n[nH]c(CC)n3)CC2)c1C ZINC000190703042 497578693 /nfs/dbraw/zinc/57/86/93/497578693.db2.gz JYHOGMYXDZEYJU-UHFFFAOYSA-N 1 2 355.486 3.034 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000246104871 497622948 /nfs/dbraw/zinc/62/29/48/497622948.db2.gz IVTKSOFFDBBYER-APWZRJJASA-N 1 2 367.497 3.201 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000246104871 497622951 /nfs/dbraw/zinc/62/29/51/497622951.db2.gz IVTKSOFFDBBYER-APWZRJJASA-N 1 2 367.497 3.201 20 30 FGEDLO Cc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccn2)cc1 ZINC000280220508 497685753 /nfs/dbraw/zinc/68/57/53/497685753.db2.gz VOLFCDRZCOGKBN-NRFANRHFSA-N 1 2 362.477 3.412 20 30 FGEDLO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272678030 497698788 /nfs/dbraw/zinc/69/87/88/497698788.db2.gz AWIJACGHHDIGSN-RTWAWAEBSA-N 1 2 369.509 3.044 20 30 FGEDLO N#CCc1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272722435 497712111 /nfs/dbraw/zinc/71/21/11/497712111.db2.gz ZRECDCUPWURIOS-LJQANCHMSA-N 1 2 360.417 3.376 20 30 FGEDLO N#CCc1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000272722435 497712115 /nfs/dbraw/zinc/71/21/15/497712115.db2.gz ZRECDCUPWURIOS-LJQANCHMSA-N 1 2 360.417 3.376 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268331973 497728099 /nfs/dbraw/zinc/72/80/99/497728099.db2.gz NNWPVMKSLWQPJI-OAHLLOKOSA-N 1 2 374.448 3.022 20 30 FGEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268331973 497728104 /nfs/dbraw/zinc/72/81/04/497728104.db2.gz NNWPVMKSLWQPJI-OAHLLOKOSA-N 1 2 374.448 3.022 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000575120183 505925839 /nfs/dbraw/zinc/92/58/39/505925839.db2.gz MQTSPZZIVJCFFA-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000575120183 505925843 /nfs/dbraw/zinc/92/58/43/505925843.db2.gz MQTSPZZIVJCFFA-DZGCQCFKSA-N 1 2 359.426 3.266 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1ccc(C#N)cc1 ZINC000277075507 497734878 /nfs/dbraw/zinc/73/48/78/497734878.db2.gz ANLVAOLQBUFMQK-UHFFFAOYSA-N 1 2 356.495 3.348 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194743879 497757280 /nfs/dbraw/zinc/75/72/80/497757280.db2.gz LARXYIAFZMTODY-CALCHBBNSA-N 1 2 363.461 3.349 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194743879 497757284 /nfs/dbraw/zinc/75/72/84/497757284.db2.gz LARXYIAFZMTODY-CALCHBBNSA-N 1 2 363.461 3.349 20 30 FGEDLO CCOc1cccc(Cl)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000575135068 505928257 /nfs/dbraw/zinc/92/82/57/505928257.db2.gz QYXLJMDGOQZBKT-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO CCC1(C)CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000263652168 497805465 /nfs/dbraw/zinc/80/54/65/497805465.db2.gz BWHFMRJNCSFDPQ-OAHLLOKOSA-N 1 2 352.438 3.024 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1F ZINC000581220255 505936081 /nfs/dbraw/zinc/93/60/81/505936081.db2.gz DMQZUFLZHPLBFW-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000295930848 497857388 /nfs/dbraw/zinc/85/73/88/497857388.db2.gz IRDXAABRRYXFHL-GOSISDBHSA-N 1 2 371.485 3.011 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)c1ccc(F)cc1 ZINC000578438783 505940256 /nfs/dbraw/zinc/94/02/56/505940256.db2.gz KJJOOVLHZABQRC-SFHVURJKSA-N 1 2 369.444 3.374 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000292123703 497887346 /nfs/dbraw/zinc/88/73/46/497887346.db2.gz IEOMWFPCIYXUCG-INIZCTEOSA-N 1 2 363.446 3.125 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000292123703 497887352 /nfs/dbraw/zinc/88/73/52/497887352.db2.gz IEOMWFPCIYXUCG-INIZCTEOSA-N 1 2 363.446 3.125 20 30 FGEDLO Cc1nsc(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000569469499 505943098 /nfs/dbraw/zinc/94/30/98/505943098.db2.gz FQBSEILXIKMJQI-UHFFFAOYSA-N 1 2 369.450 3.202 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000329790449 497901721 /nfs/dbraw/zinc/90/17/21/497901721.db2.gz TWBLNDVISZEXJR-OAQYLSRUSA-N 1 2 373.456 3.220 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000329790449 497901727 /nfs/dbraw/zinc/90/17/27/497901727.db2.gz TWBLNDVISZEXJR-OAQYLSRUSA-N 1 2 373.456 3.220 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000329855708 497928849 /nfs/dbraw/zinc/92/88/49/497928849.db2.gz UGUVQRXCPXGDSI-RDJZCZTQSA-N 1 2 361.442 3.073 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000329855708 497928853 /nfs/dbraw/zinc/92/88/53/497928853.db2.gz UGUVQRXCPXGDSI-RDJZCZTQSA-N 1 2 361.442 3.073 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000301084384 497943488 /nfs/dbraw/zinc/94/34/88/497943488.db2.gz IZPJNQWLSNENEZ-UHFFFAOYSA-N 1 2 373.403 3.176 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC000329905461 497946952 /nfs/dbraw/zinc/94/69/52/497946952.db2.gz ATBFJRALMFWCMU-TXPKVOOTSA-N 1 2 373.428 3.164 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC000329905461 497946956 /nfs/dbraw/zinc/94/69/56/497946956.db2.gz ATBFJRALMFWCMU-TXPKVOOTSA-N 1 2 373.428 3.164 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000329928768 497955997 /nfs/dbraw/zinc/95/59/97/497955997.db2.gz MVDDASFXAKLKHH-YWZLYKJASA-N 1 2 354.454 3.145 20 30 FGEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000329928768 497956005 /nfs/dbraw/zinc/95/60/05/497956005.db2.gz MVDDASFXAKLKHH-YWZLYKJASA-N 1 2 354.454 3.145 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329963061 497971835 /nfs/dbraw/zinc/97/18/35/497971835.db2.gz POZDZRXCRBGDOT-JZXOWHBKSA-N 1 2 355.486 3.195 20 30 FGEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000281043503 497998500 /nfs/dbraw/zinc/99/85/00/497998500.db2.gz QFFMZIFXHSHMSK-KRWDZBQOSA-N 1 2 354.454 3.389 20 30 FGEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000281043503 497998508 /nfs/dbraw/zinc/99/85/08/497998508.db2.gz QFFMZIFXHSHMSK-KRWDZBQOSA-N 1 2 354.454 3.389 20 30 FGEDLO CC(C)n1ncc2c1C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000330057179 498006962 /nfs/dbraw/zinc/00/69/62/498006962.db2.gz XATUNYMYCAMXQS-SUMDDJOVSA-N 1 2 370.501 3.015 20 30 FGEDLO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000330057179 498006968 /nfs/dbraw/zinc/00/69/68/498006968.db2.gz XATUNYMYCAMXQS-SUMDDJOVSA-N 1 2 370.501 3.015 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@]2(CCOC2)O1 ZINC000330085597 498015574 /nfs/dbraw/zinc/01/55/74/498015574.db2.gz RLQDWVUDVCASTL-KNQAVFIVSA-N 1 2 374.525 3.381 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@]2(CCOC2)O1 ZINC000330085597 498015579 /nfs/dbraw/zinc/01/55/79/498015579.db2.gz RLQDWVUDVCASTL-KNQAVFIVSA-N 1 2 374.525 3.381 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000296380362 498020130 /nfs/dbraw/zinc/02/01/30/498020130.db2.gz RZXQTMTZQDNXLR-INIZCTEOSA-N 1 2 361.829 3.025 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000296380362 498020137 /nfs/dbraw/zinc/02/01/37/498020137.db2.gz RZXQTMTZQDNXLR-INIZCTEOSA-N 1 2 361.829 3.025 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000330100588 498021791 /nfs/dbraw/zinc/02/17/91/498021791.db2.gz DOFSKIPLJDCJNR-HOTGVXAUSA-N 1 2 370.453 3.184 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551369 505966090 /nfs/dbraw/zinc/96/60/90/505966090.db2.gz JBPBNMCSSTYJNL-UHFFFAOYSA-N 1 2 361.348 3.393 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551369 505966094 /nfs/dbraw/zinc/96/60/94/505966094.db2.gz JBPBNMCSSTYJNL-UHFFFAOYSA-N 1 2 361.348 3.393 20 30 FGEDLO CC(C)(C)c1ccc2c(c1)CN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330202030 498059156 /nfs/dbraw/zinc/05/91/56/498059156.db2.gz YTGQXBSGMBVTJI-GOSISDBHSA-N 1 2 352.482 3.468 20 30 FGEDLO CC(C)(C)c1ccc2c(c1)CN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330202030 498059159 /nfs/dbraw/zinc/05/91/59/498059159.db2.gz YTGQXBSGMBVTJI-GOSISDBHSA-N 1 2 352.482 3.468 20 30 FGEDLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000330228348 498069982 /nfs/dbraw/zinc/06/99/82/498069982.db2.gz CLACOEIAMZVSKQ-ICSRJNTNSA-N 1 2 373.497 3.144 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253895 498080921 /nfs/dbraw/zinc/08/09/21/498080921.db2.gz OXPGHAOFEKFBML-CZUORRHYSA-N 1 2 353.447 3.008 20 30 FGEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1 ZINC000330253895 498080926 /nfs/dbraw/zinc/08/09/26/498080926.db2.gz OXPGHAOFEKFBML-CZUORRHYSA-N 1 2 353.447 3.008 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000285463105 498093397 /nfs/dbraw/zinc/09/33/97/498093397.db2.gz AIKMNEOUGPZMEI-OAHLLOKOSA-N 1 2 351.328 3.465 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000285463105 498093403 /nfs/dbraw/zinc/09/34/03/498093403.db2.gz AIKMNEOUGPZMEI-OAHLLOKOSA-N 1 2 351.328 3.465 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c(C#N)c1C ZINC000364695875 498093845 /nfs/dbraw/zinc/09/38/45/498093845.db2.gz OGISLJQRXUZMLA-INIZCTEOSA-N 1 2 363.421 3.003 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c(C#N)c1C ZINC000364695875 498093852 /nfs/dbraw/zinc/09/38/52/498093852.db2.gz OGISLJQRXUZMLA-INIZCTEOSA-N 1 2 363.421 3.003 20 30 FGEDLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285466205 498095085 /nfs/dbraw/zinc/09/50/85/498095085.db2.gz KFLSVUVFYWSQEG-UHFFFAOYSA-N 1 2 358.369 3.120 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)cc1 ZINC000364709743 498105253 /nfs/dbraw/zinc/10/52/53/498105253.db2.gz OZYVBHODDPEOTI-RBUKOAKNSA-N 1 2 367.449 3.311 20 30 FGEDLO C#CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)cc1 ZINC000364709743 498105255 /nfs/dbraw/zinc/10/52/55/498105255.db2.gz OZYVBHODDPEOTI-RBUKOAKNSA-N 1 2 367.449 3.311 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccnc(C)n2)CC1 ZINC000330336071 498109441 /nfs/dbraw/zinc/10/94/41/498109441.db2.gz SBPVUEGCKNTCGU-UHFFFAOYSA-N 1 2 350.426 3.326 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CC[C@H](O)C23CCCC3)c1)[NH+]1CCOCC1 ZINC000330341991 498112092 /nfs/dbraw/zinc/11/20/92/498112092.db2.gz ZZXWISYXFCPJEN-LPHOPBHVSA-N 1 2 373.497 3.005 20 30 FGEDLO CCc1cc(N)nc(SCc2cn(C)nc2-c2ccc(C#N)cc2)[nH+]1 ZINC000364760462 498130574 /nfs/dbraw/zinc/13/05/74/498130574.db2.gz WAAJAJZYVRGQSH-UHFFFAOYSA-N 1 2 350.451 3.016 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000569653058 505985057 /nfs/dbraw/zinc/98/50/57/505985057.db2.gz FNLMGVHMBIIXSW-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO N#Cc1cc(F)c(NCc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000301526475 498147894 /nfs/dbraw/zinc/14/78/94/498147894.db2.gz HZMBHVKOYCAYAG-UHFFFAOYSA-N 1 2 373.403 3.160 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)C(F)(F)F ZINC000330708934 498179011 /nfs/dbraw/zinc/17/90/11/498179011.db2.gz VXAFTJCTUSSWOF-AWEZNQCLSA-N 1 2 355.364 3.487 20 30 FGEDLO CSC[C@](C)(O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330781178 498193282 /nfs/dbraw/zinc/19/32/82/498193282.db2.gz OGVYMIMOWYTVRZ-RDTXWAMCSA-N 1 2 366.531 3.209 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000292944215 498205531 /nfs/dbraw/zinc/20/55/31/498205531.db2.gz IAXWBOHSOMPKLX-UHFFFAOYSA-N 1 2 362.495 3.132 20 30 FGEDLO C[N@H+]1CC=C(CNC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000331248575 498283890 /nfs/dbraw/zinc/28/38/90/498283890.db2.gz WYAQXILBGBSSAP-UHFFFAOYSA-N 1 2 359.651 3.375 20 30 FGEDLO C[N@@H+]1CC=C(CNC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000331248575 498283896 /nfs/dbraw/zinc/28/38/96/498283896.db2.gz WYAQXILBGBSSAP-UHFFFAOYSA-N 1 2 359.651 3.375 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000281827365 498284672 /nfs/dbraw/zinc/28/46/72/498284672.db2.gz PPJBLCBMXRCZIX-AZUAARDMSA-N 1 2 372.513 3.098 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)ccc1Br ZINC000331339426 498305092 /nfs/dbraw/zinc/30/50/92/498305092.db2.gz JSVQJGPXZGZQOB-YWPYICTPSA-N 1 2 350.260 3.366 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)ccc1OC ZINC000578755290 506013462 /nfs/dbraw/zinc/01/34/62/506013462.db2.gz APHJJLSBKYPRNT-OWWADGOUSA-N 1 2 351.512 3.382 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)ccc1OC ZINC000578755290 506013463 /nfs/dbraw/zinc/01/34/63/506013463.db2.gz APHJJLSBKYPRNT-OWWADGOUSA-N 1 2 351.512 3.382 20 30 FGEDLO C#CCOc1ccc(C(=O)N(CC)[C@H](c2[nH+]ccn2C)c2cccnc2)cc1 ZINC000360940328 498324007 /nfs/dbraw/zinc/32/40/07/498324007.db2.gz GOMGERQFUYEBPP-FQEVSTJZSA-N 1 2 374.444 3.079 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1OCCCC#N ZINC000289968742 498374275 /nfs/dbraw/zinc/37/42/75/498374275.db2.gz YZBHABWGPLNYBS-MRXNPFEDSA-N 1 2 356.426 3.406 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1OCCCC#N ZINC000289968742 498374282 /nfs/dbraw/zinc/37/42/82/498374282.db2.gz YZBHABWGPLNYBS-MRXNPFEDSA-N 1 2 356.426 3.406 20 30 FGEDLO N#Cc1cccc([C@@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)CCO2)c1 ZINC000362065466 498459547 /nfs/dbraw/zinc/45/95/47/498459547.db2.gz SPDZCNXHSQZIRO-NRFANRHFSA-N 1 2 358.445 3.377 20 30 FGEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362106185 498466129 /nfs/dbraw/zinc/46/61/29/498466129.db2.gz MTGMBJRUCOHKKT-INIZCTEOSA-N 1 2 356.433 3.384 20 30 FGEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362106185 498466138 /nfs/dbraw/zinc/46/61/38/498466138.db2.gz MTGMBJRUCOHKKT-INIZCTEOSA-N 1 2 356.433 3.384 20 30 FGEDLO COCc1noc(-c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2C)n1 ZINC000362336856 498500002 /nfs/dbraw/zinc/50/00/02/498500002.db2.gz QKHLQUSNEQFBMV-UHFFFAOYSA-N 1 2 374.404 3.323 20 30 FGEDLO Cc1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCOCC2)nc1C#N ZINC000302645739 498522910 /nfs/dbraw/zinc/52/29/10/498522910.db2.gz MDMIEBSTPRHJKU-GOSISDBHSA-N 1 2 356.857 3.401 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1Cl ZINC000294045602 498572936 /nfs/dbraw/zinc/57/29/36/498572936.db2.gz WRNAAQFISKDYKX-HNNXBMFYSA-N 1 2 357.903 3.161 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1Cl ZINC000294045602 498572944 /nfs/dbraw/zinc/57/29/44/498572944.db2.gz WRNAAQFISKDYKX-HNNXBMFYSA-N 1 2 357.903 3.161 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989954 506063848 /nfs/dbraw/zinc/06/38/48/506063848.db2.gz KUOQSRIUMWLNFY-DOTOQJQBSA-N 1 2 356.363 3.363 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000569989954 506063850 /nfs/dbraw/zinc/06/38/50/506063850.db2.gz KUOQSRIUMWLNFY-DOTOQJQBSA-N 1 2 356.363 3.363 20 30 FGEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000572870873 506072402 /nfs/dbraw/zinc/07/24/02/506072402.db2.gz IPZSNPNAHCRFBL-GOSISDBHSA-N 1 2 364.449 3.277 20 30 FGEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000572870873 506072404 /nfs/dbraw/zinc/07/24/04/506072404.db2.gz IPZSNPNAHCRFBL-GOSISDBHSA-N 1 2 364.449 3.277 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000298293933 498724845 /nfs/dbraw/zinc/72/48/45/498724845.db2.gz GRHYSPKGEMNWON-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000298293933 498724847 /nfs/dbraw/zinc/72/48/47/498724847.db2.gz GRHYSPKGEMNWON-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000363340387 498771259 /nfs/dbraw/zinc/77/12/59/498771259.db2.gz PGAKFWGYZMHYDU-WOJBJXKFSA-N 1 2 373.460 3.358 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000366093040 498772645 /nfs/dbraw/zinc/77/26/45/498772645.db2.gz NVILQNDCEFYCEU-GHTZIAJQSA-N 1 2 361.530 3.198 20 30 FGEDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000366093040 498772648 /nfs/dbraw/zinc/77/26/48/498772648.db2.gz NVILQNDCEFYCEU-GHTZIAJQSA-N 1 2 361.530 3.198 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000366099073 498775020 /nfs/dbraw/zinc/77/50/20/498775020.db2.gz QHJCEJZADSODJO-AEFFLSMTSA-N 1 2 369.465 3.109 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000570098143 506090067 /nfs/dbraw/zinc/09/00/67/506090067.db2.gz OSYITGIZIHMKHD-NRFANRHFSA-N 1 2 362.433 3.119 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000573022677 506101091 /nfs/dbraw/zinc/10/10/91/506101091.db2.gz PDDAEXFIYQHXLS-OAHLLOKOSA-N 1 2 365.424 3.309 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000573022677 506101094 /nfs/dbraw/zinc/10/10/94/506101094.db2.gz PDDAEXFIYQHXLS-OAHLLOKOSA-N 1 2 365.424 3.309 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283335919 498855306 /nfs/dbraw/zinc/85/53/06/498855306.db2.gz ARAXIWFHEWAKCN-LNLFQRSKSA-N 1 2 372.513 3.090 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000287797784 498865772 /nfs/dbraw/zinc/86/57/72/498865772.db2.gz TYJURPKWZBRAMY-CYBMUJFWSA-N 1 2 352.283 3.341 20 30 FGEDLO C[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1CO ZINC000328860477 498963951 /nfs/dbraw/zinc/96/39/51/498963951.db2.gz YYGXCPYHAWPUPF-KXBFYZLASA-N 1 2 366.465 3.240 20 30 FGEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299146262 498977894 /nfs/dbraw/zinc/97/78/94/498977894.db2.gz WBSDZOZRSHCDGV-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1 ZINC000299146262 498977899 /nfs/dbraw/zinc/97/78/99/498977899.db2.gz WBSDZOZRSHCDGV-ZDUSSCGKSA-N 1 2 371.437 3.244 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)CC[C@@H]21 ZINC000328929814 498989010 /nfs/dbraw/zinc/98/90/10/498989010.db2.gz AJQVOSOLRGOTCX-CJNLHWCBSA-N 1 2 364.534 3.237 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)CC[C@@H]21 ZINC000328929814 498989017 /nfs/dbraw/zinc/98/90/17/498989017.db2.gz AJQVOSOLRGOTCX-CJNLHWCBSA-N 1 2 364.534 3.237 20 30 FGEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NCCc1cccc2cccnc21 ZINC000328939567 498992645 /nfs/dbraw/zinc/99/26/45/498992645.db2.gz RZFUMMUTXRMIAU-UHFFFAOYSA-N 1 2 353.466 3.379 20 30 FGEDLO O=C(C[N@H+]1CCOCC12CCCC2)NCCc1cccc2cccnc21 ZINC000328939567 498992652 /nfs/dbraw/zinc/99/26/52/498992652.db2.gz RZFUMMUTXRMIAU-UHFFFAOYSA-N 1 2 353.466 3.379 20 30 FGEDLO N#C[C@@]1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC12CCCC2 ZINC000333457778 499008364 /nfs/dbraw/zinc/00/83/64/499008364.db2.gz TVSILFZGGKTNGW-OAQYLSRUSA-N 1 2 352.482 3.399 20 30 FGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329114792 499046053 /nfs/dbraw/zinc/04/60/53/499046053.db2.gz HXEIEQFVHXJSJE-KXBFYZLASA-N 1 2 372.444 3.140 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)c3ccccc32)CCO1 ZINC000329127464 499050261 /nfs/dbraw/zinc/05/02/61/499050261.db2.gz ZARILQAWZVOIQE-NRXGSXMXSA-N 1 2 353.422 3.357 20 30 FGEDLO Cc1cnn(CC2CC[NH+](CC(=O)Nc3cc(C(C)(C)C)no3)CC2)c1 ZINC000329137695 499053203 /nfs/dbraw/zinc/05/32/03/499053203.db2.gz DJJVGNZZPNXYGV-UHFFFAOYSA-N 1 2 359.474 3.477 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000329224703 499077405 /nfs/dbraw/zinc/07/74/05/499077405.db2.gz FQUDNHLTUFFHCL-HXUWFJFHSA-N 1 2 369.509 3.427 20 30 FGEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000329224703 499077410 /nfs/dbraw/zinc/07/74/10/499077410.db2.gz FQUDNHLTUFFHCL-HXUWFJFHSA-N 1 2 369.509 3.427 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229590 499079209 /nfs/dbraw/zinc/07/92/09/499079209.db2.gz CTXBBIROPAHGME-NHCUHLMSSA-N 1 2 361.445 3.127 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000329229590 499079213 /nfs/dbraw/zinc/07/92/13/499079213.db2.gz CTXBBIROPAHGME-NHCUHLMSSA-N 1 2 361.445 3.127 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCCC[C@@H]1c1cn[nH]c1)C2 ZINC000329298224 499093430 /nfs/dbraw/zinc/09/34/30/499093430.db2.gz UMGGBDCJAANZLA-JKSUJKDBSA-N 1 2 370.501 3.360 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000573157401 506131515 /nfs/dbraw/zinc/13/15/15/506131515.db2.gz QANDTGTYKURYNY-SFHVURJKSA-N 1 2 351.454 3.363 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329342442 499103452 /nfs/dbraw/zinc/10/34/52/499103452.db2.gz SOTSXRJGOLCQGP-LXZKKBNFSA-N 1 2 374.428 3.064 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329342442 499103453 /nfs/dbraw/zinc/10/34/53/499103453.db2.gz SOTSXRJGOLCQGP-LXZKKBNFSA-N 1 2 374.428 3.064 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000366942522 499119627 /nfs/dbraw/zinc/11/96/27/499119627.db2.gz DTSOTJHIRHDXAN-DNVCBOLYSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]12CCOC2 ZINC000366942522 499119630 /nfs/dbraw/zinc/11/96/30/499119630.db2.gz DTSOTJHIRHDXAN-DNVCBOLYSA-N 1 2 359.495 3.132 20 30 FGEDLO CCO[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[C@@]12CCCO2 ZINC000329436921 499121900 /nfs/dbraw/zinc/12/19/00/499121900.db2.gz ABGQXNBOLJEQTH-NSHGMRRFSA-N 1 2 355.438 3.212 20 30 FGEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369811910 499132495 /nfs/dbraw/zinc/13/24/95/499132495.db2.gz WCVVNONCNUKDHC-AWEZNQCLSA-N 1 2 366.465 3.193 20 30 FGEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369811910 499132497 /nfs/dbraw/zinc/13/24/97/499132497.db2.gz WCVVNONCNUKDHC-AWEZNQCLSA-N 1 2 366.465 3.193 20 30 FGEDLO Cc1cn2c(C[NH+]3CCC(C#N)(c4ccccn4)CC3)c(C)nc2s1 ZINC000367074260 499144135 /nfs/dbraw/zinc/14/41/35/499144135.db2.gz XDTKIXUFQIYEDP-UHFFFAOYSA-N 1 2 351.479 3.465 20 30 FGEDLO C[C@H]([NH2+]Cc1ncnn1CCF)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000367094400 499147928 /nfs/dbraw/zinc/14/79/28/499147928.db2.gz PIVHUEASZMWROT-LBPRGKRZSA-N 1 2 356.430 3.094 20 30 FGEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367208354 499161704 /nfs/dbraw/zinc/16/17/04/499161704.db2.gz JHIGBLUVEJWZLX-MRXNPFEDSA-N 1 2 363.465 3.452 20 30 FGEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367208354 499161705 /nfs/dbraw/zinc/16/17/05/499161705.db2.gz JHIGBLUVEJWZLX-MRXNPFEDSA-N 1 2 363.465 3.452 20 30 FGEDLO N#Cc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc(N)c1[N+](=O)[O-] ZINC000370543411 499230354 /nfs/dbraw/zinc/23/03/54/499230354.db2.gz HDZLLJFDGGSULA-UHFFFAOYSA-N 1 2 362.393 3.309 20 30 FGEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000368565518 499307871 /nfs/dbraw/zinc/30/78/71/499307871.db2.gz AQTVTXLQMHZOIY-KRWDZBQOSA-N 1 2 363.396 3.244 20 30 FGEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000368565518 499307872 /nfs/dbraw/zinc/30/78/72/499307872.db2.gz AQTVTXLQMHZOIY-KRWDZBQOSA-N 1 2 363.396 3.244 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000368623338 499314943 /nfs/dbraw/zinc/31/49/43/499314943.db2.gz PVMOCUCKWCJULA-QFIPXVFZSA-N 1 2 362.477 3.378 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000368623338 499314945 /nfs/dbraw/zinc/31/49/45/499314945.db2.gz PVMOCUCKWCJULA-QFIPXVFZSA-N 1 2 362.477 3.378 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000371358951 499315055 /nfs/dbraw/zinc/31/50/55/499315055.db2.gz FOCQXOOVJFFFDC-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000371358951 499315057 /nfs/dbraw/zinc/31/50/57/499315057.db2.gz FOCQXOOVJFFFDC-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000371365911 499315702 /nfs/dbraw/zinc/31/57/02/499315702.db2.gz WEXRHDOGTDZGJN-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000371365911 499315704 /nfs/dbraw/zinc/31/57/04/499315704.db2.gz WEXRHDOGTDZGJN-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812047 499335190 /nfs/dbraw/zinc/33/51/90/499335190.db2.gz FSKFZZXDUILQSP-KBPBESRZSA-N 1 2 358.417 3.115 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000371693957 499355901 /nfs/dbraw/zinc/35/59/01/499355901.db2.gz QEUMDTYRQKNAMA-QGZVFWFLSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000371693957 499355903 /nfs/dbraw/zinc/35/59/03/499355903.db2.gz QEUMDTYRQKNAMA-QGZVFWFLSA-N 1 2 351.454 3.092 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371735219 499360084 /nfs/dbraw/zinc/36/00/84/499360084.db2.gz RFZPQQFHFQPKGM-KCTSRDHCSA-N 1 2 368.403 3.040 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371735219 499360086 /nfs/dbraw/zinc/36/00/86/499360086.db2.gz RFZPQQFHFQPKGM-KCTSRDHCSA-N 1 2 368.403 3.040 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)no1 ZINC000372046781 499392775 /nfs/dbraw/zinc/39/27/75/499392775.db2.gz NGPCIEXLQCHZLA-OAHLLOKOSA-N 1 2 350.422 3.361 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000369516293 499411484 /nfs/dbraw/zinc/41/14/84/499411484.db2.gz CWXWRJOBTKPQQZ-AOMKIAJQSA-N 1 2 370.412 3.187 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000369516293 499411486 /nfs/dbraw/zinc/41/14/86/499411486.db2.gz CWXWRJOBTKPQQZ-AOMKIAJQSA-N 1 2 370.412 3.187 20 30 FGEDLO COc1ccccc1-c1noc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000372977609 499445570 /nfs/dbraw/zinc/44/55/70/499445570.db2.gz FNKVJYSQURIHHF-OAHLLOKOSA-N 1 2 365.437 3.368 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122011 499452666 /nfs/dbraw/zinc/45/26/66/499452666.db2.gz DOLJIQUKXRPXQF-FZKQIMNGSA-N 1 2 353.422 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122011 499452667 /nfs/dbraw/zinc/45/26/67/499452667.db2.gz DOLJIQUKXRPXQF-FZKQIMNGSA-N 1 2 353.422 3.034 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375399181 499514133 /nfs/dbraw/zinc/51/41/33/499514133.db2.gz GHSTXUDRBYFSPZ-YLJYHZDGSA-N 1 2 360.461 3.240 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3c3nccs3)C2=O)cc1 ZINC000375831870 499560210 /nfs/dbraw/zinc/56/02/10/499560210.db2.gz PBCBSFJVOOQQCE-IRXDYDNUSA-N 1 2 352.463 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3c3nccs3)C2=O)cc1 ZINC000375831870 499560211 /nfs/dbraw/zinc/56/02/11/499560211.db2.gz PBCBSFJVOOQQCE-IRXDYDNUSA-N 1 2 352.463 3.347 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579339044 506150410 /nfs/dbraw/zinc/15/04/10/506150410.db2.gz KNCHTTJGBHNXFC-IBGZPJMESA-N 1 2 356.429 3.489 20 30 FGEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579339044 506150414 /nfs/dbraw/zinc/15/04/14/506150414.db2.gz KNCHTTJGBHNXFC-IBGZPJMESA-N 1 2 356.429 3.489 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377552659 499703936 /nfs/dbraw/zinc/70/39/36/499703936.db2.gz IXTVITIPFWVPRT-UNMCSNQZSA-N 1 2 364.445 3.146 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377552659 499703937 /nfs/dbraw/zinc/70/39/37/499703937.db2.gz IXTVITIPFWVPRT-UNMCSNQZSA-N 1 2 364.445 3.146 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411510239 499749287 /nfs/dbraw/zinc/74/92/87/499749287.db2.gz FQPRZRSAPOPVAO-OALUTQOASA-N 1 2 367.449 3.260 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413148063 499919674 /nfs/dbraw/zinc/91/96/74/499919674.db2.gz XBEPWUQXUVJOPP-CYBMUJFWSA-N 1 2 361.371 3.250 20 30 FGEDLO C=CCN1CC[C@@H](N(C)c2[nH+]ccc3cc(Br)ccc32)C1=O ZINC000413264457 499934265 /nfs/dbraw/zinc/93/42/65/499934265.db2.gz IIAZSIGITZEPOL-OAHLLOKOSA-N 1 2 360.255 3.220 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000413402950 499949362 /nfs/dbraw/zinc/94/93/62/499949362.db2.gz KBKUGHYUTKUBQX-RTBURBONSA-N 1 2 350.466 3.147 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429257301 500036002 /nfs/dbraw/zinc/03/60/02/500036002.db2.gz ZSURQPQYTRDJQZ-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429257301 500036004 /nfs/dbraw/zinc/03/60/04/500036004.db2.gz ZSURQPQYTRDJQZ-JKSUJKDBSA-N 1 2 366.440 3.235 20 30 FGEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1c1ccc(Cl)cc1 ZINC000425271613 500061667 /nfs/dbraw/zinc/06/16/67/500061667.db2.gz VODRRZVSWYRDLI-DLBZAZTESA-N 1 2 355.825 3.308 20 30 FGEDLO Cc1nsc(N2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)c1C#N ZINC000576512551 506175985 /nfs/dbraw/zinc/17/59/85/506175985.db2.gz BOYSNNFULASSCI-UHFFFAOYSA-N 1 2 353.426 3.337 20 30 FGEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536614 500137527 /nfs/dbraw/zinc/13/75/27/500137527.db2.gz IXCOYOOIMQXMAN-ZDUSSCGKSA-N 1 2 371.462 3.428 20 30 FGEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536614 500137531 /nfs/dbraw/zinc/13/75/31/500137531.db2.gz IXCOYOOIMQXMAN-ZDUSSCGKSA-N 1 2 371.462 3.428 20 30 FGEDLO C[C@@H](C#N)N(CC[N@@H+]1CCOC[C@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539251 500138417 /nfs/dbraw/zinc/13/84/17/500138417.db2.gz TVNFSLFKPLPOMT-LSDHHAIUSA-N 1 2 355.404 3.140 20 30 FGEDLO C[C@@H](C#N)N(CC[N@H+]1CCOC[C@H]1C)Cc1cccc(C(F)(F)F)c1 ZINC000425539251 500138423 /nfs/dbraw/zinc/13/84/23/500138423.db2.gz TVNFSLFKPLPOMT-LSDHHAIUSA-N 1 2 355.404 3.140 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000414099342 500153251 /nfs/dbraw/zinc/15/32/51/500153251.db2.gz QELSJKVULDRSCL-QGZVFWFLSA-N 1 2 370.522 3.050 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000414099342 500153257 /nfs/dbraw/zinc/15/32/57/500153257.db2.gz QELSJKVULDRSCL-QGZVFWFLSA-N 1 2 370.522 3.050 20 30 FGEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000430255422 500216385 /nfs/dbraw/zinc/21/63/85/500216385.db2.gz FDFNXENXFJATLK-IBGZPJMESA-N 1 2 371.444 3.236 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426012262 500225214 /nfs/dbraw/zinc/22/52/14/500225214.db2.gz CLJVGBGXUKAFGG-VXKWHMMOSA-N 1 2 370.456 3.463 20 30 FGEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000426183149 500244525 /nfs/dbraw/zinc/24/45/25/500244525.db2.gz MTASQLMPVLQNLG-IBGZPJMESA-N 1 2 358.445 3.320 20 30 FGEDLO C=CCN1C(=O)N(Cc2[nH+]ccn2CC(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431212943 500349847 /nfs/dbraw/zinc/34/98/47/500349847.db2.gz NNMAPNMYVFUUFB-SFHVURJKSA-N 1 2 366.465 3.101 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000432112335 500471050 /nfs/dbraw/zinc/47/10/50/500471050.db2.gz YSNVMDGIENTFMX-IYBDPMFKSA-N 1 2 360.502 3.097 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)nn1 ZINC000424289793 500481556 /nfs/dbraw/zinc/48/15/56/500481556.db2.gz AHZPXGKCJQNNCW-HNNXBMFYSA-N 1 2 363.259 3.230 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000428469488 500513924 /nfs/dbraw/zinc/51/39/24/500513924.db2.gz UWIGWADCCONFPT-MRXNPFEDSA-N 1 2 353.470 3.500 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420957802 500541328 /nfs/dbraw/zinc/54/13/28/500541328.db2.gz ZYWOQPIDEZJBKI-YPMHNXCESA-N 1 2 357.401 3.389 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420957802 500541330 /nfs/dbraw/zinc/54/13/30/500541330.db2.gz ZYWOQPIDEZJBKI-YPMHNXCESA-N 1 2 357.401 3.389 20 30 FGEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCOCC1 ZINC000424706193 500546951 /nfs/dbraw/zinc/54/69/51/500546951.db2.gz KDFOGKRHHJJOLN-UHFFFAOYSA-N 1 2 353.466 3.115 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421009296 500553191 /nfs/dbraw/zinc/55/31/91/500553191.db2.gz BOFVEDIKMCQSFK-NRFANRHFSA-N 1 2 370.497 3.285 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@]23CCOC3)c1C#N ZINC000421009296 500553193 /nfs/dbraw/zinc/55/31/93/500553193.db2.gz BOFVEDIKMCQSFK-NRFANRHFSA-N 1 2 370.497 3.285 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)nc1 ZINC000432747505 500556801 /nfs/dbraw/zinc/55/68/01/500556801.db2.gz JWXYQSFTXDTFJD-UHFFFAOYSA-N 1 2 352.385 3.356 20 30 FGEDLO CSc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)[nH+]c1 ZINC000432754637 500557833 /nfs/dbraw/zinc/55/78/33/500557833.db2.gz MNDJRPNMCCMOPC-UHFFFAOYSA-N 1 2 350.451 3.010 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)n1 ZINC000432911515 500589678 /nfs/dbraw/zinc/58/96/78/500589678.db2.gz JAWUUZDUEZDEJI-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000433133948 500632937 /nfs/dbraw/zinc/63/29/37/500632937.db2.gz PMMNEDLFXCHAKD-UHFFFAOYSA-N 1 2 358.401 3.207 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442847704 500633805 /nfs/dbraw/zinc/63/38/05/500633805.db2.gz CTLZPOGNAZMCQW-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442847704 500633807 /nfs/dbraw/zinc/63/38/07/500633807.db2.gz CTLZPOGNAZMCQW-IBGZPJMESA-N 1 2 352.434 3.173 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000433316891 500670549 /nfs/dbraw/zinc/67/05/49/500670549.db2.gz JUXFKQXBBAWKRC-HXUWFJFHSA-N 1 2 362.477 3.461 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000443077485 500676160 /nfs/dbraw/zinc/67/61/60/500676160.db2.gz UWIXGMSPFUKXKZ-KRWDZBQOSA-N 1 2 360.417 3.227 20 30 FGEDLO C[C@H](C#N)CN(Cc1cncc(C[N@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668022 506212345 /nfs/dbraw/zinc/21/23/45/506212345.db2.gz BGQUXAZUTBKXAY-IAGOWNOFSA-N 1 2 351.498 3.330 20 30 FGEDLO C[C@H](C#N)CN(Cc1cncc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000570668022 506212347 /nfs/dbraw/zinc/21/23/47/506212347.db2.gz BGQUXAZUTBKXAY-IAGOWNOFSA-N 1 2 351.498 3.330 20 30 FGEDLO N#Cc1cccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443160166 500689639 /nfs/dbraw/zinc/68/96/39/500689639.db2.gz XETKILWRLAXFQT-UHFFFAOYSA-N 1 2 354.841 3.391 20 30 FGEDLO N#Cc1cccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000443160166 500689640 /nfs/dbraw/zinc/68/96/40/500689640.db2.gz XETKILWRLAXFQT-UHFFFAOYSA-N 1 2 354.841 3.391 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000439320535 500884714 /nfs/dbraw/zinc/88/47/14/500884714.db2.gz DUDHQAQNNSDEEJ-UHFFFAOYSA-N 1 2 355.829 3.269 20 30 FGEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444772203 500896756 /nfs/dbraw/zinc/89/67/56/500896756.db2.gz MOHGWJDKFJTUCN-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO C=CC[C@@H]1N(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCC1(C)C ZINC000444876382 500915454 /nfs/dbraw/zinc/91/54/54/500915454.db2.gz BEAOGPDFEKXPFS-SFHVURJKSA-N 1 2 372.513 3.195 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C1=O ZINC000449304007 500971856 /nfs/dbraw/zinc/97/18/56/500971856.db2.gz NTFFXLVAPAQEIL-HNNXBMFYSA-N 1 2 363.433 3.307 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3c(F)cccc3F)s2)C1=O ZINC000449304007 500971859 /nfs/dbraw/zinc/97/18/59/500971859.db2.gz NTFFXLVAPAQEIL-HNNXBMFYSA-N 1 2 363.433 3.307 20 30 FGEDLO C=C(C)CS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000435437363 500976605 /nfs/dbraw/zinc/97/66/05/500976605.db2.gz JKTOWWGXUARQPA-HNNXBMFYSA-N 1 2 360.882 3.112 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)o1 ZINC000588199226 506229868 /nfs/dbraw/zinc/22/98/68/506229868.db2.gz YMBPRYSRKJVGCP-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)o1 ZINC000588199226 506229876 /nfs/dbraw/zinc/22/98/76/506229876.db2.gz YMBPRYSRKJVGCP-ZDUSSCGKSA-N 1 2 361.243 3.392 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435907707 501044617 /nfs/dbraw/zinc/04/46/17/501044617.db2.gz LJROZUAQKLCXTD-MGPUTAFESA-N 1 2 372.490 3.139 20 30 FGEDLO C=CCOc1ccc(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)cc1 ZINC000436410553 501122254 /nfs/dbraw/zinc/12/22/54/501122254.db2.gz KBKJOZGDMDQUKT-UHFFFAOYSA-N 1 2 352.413 3.320 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c2ccccc2[nH+]1 ZINC000446756724 501161488 /nfs/dbraw/zinc/16/14/88/501161488.db2.gz MFYIDQIQTONZKA-UHFFFAOYSA-N 1 2 351.431 3.200 20 30 FGEDLO Cc1c(C#N)c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)nc2ccccc12 ZINC000450254471 501219791 /nfs/dbraw/zinc/21/97/91/501219791.db2.gz JAVUXNJWQDFLEL-OAHLLOKOSA-N 1 2 373.460 3.069 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c1C#N ZINC000451045234 501241608 /nfs/dbraw/zinc/24/16/08/501241608.db2.gz MCOWICOLOSMYBD-UHFFFAOYSA-N 1 2 372.469 3.247 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1C ZINC000451205175 501251869 /nfs/dbraw/zinc/25/18/69/501251869.db2.gz XCRWOJDZKPEXIN-UHFFFAOYSA-N 1 2 365.477 3.237 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1C ZINC000451205175 501251870 /nfs/dbraw/zinc/25/18/70/501251870.db2.gz XCRWOJDZKPEXIN-UHFFFAOYSA-N 1 2 365.477 3.237 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1C ZINC000451268510 501256641 /nfs/dbraw/zinc/25/66/41/501256641.db2.gz RREZMGRVSCIOJK-UNMCSNQZSA-N 1 2 370.468 3.274 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1C ZINC000451268510 501256642 /nfs/dbraw/zinc/25/66/42/501256642.db2.gz RREZMGRVSCIOJK-UNMCSNQZSA-N 1 2 370.468 3.274 20 30 FGEDLO C=C(CC)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000455525917 501325383 /nfs/dbraw/zinc/32/53/83/501325383.db2.gz SDPUZKZJPVWGID-UHFFFAOYSA-N 1 2 351.248 3.171 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000455529930 501326589 /nfs/dbraw/zinc/32/65/89/501326589.db2.gz BYABGFXQPTVVJK-UHFFFAOYSA-N 1 2 369.444 3.296 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455870894 501403938 /nfs/dbraw/zinc/40/39/38/501403938.db2.gz SYHPAQWIIVXETB-NSHDSACASA-N 1 2 353.264 3.483 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455916121 501414716 /nfs/dbraw/zinc/41/47/16/501414716.db2.gz IBCXINLSGRWRKH-UHFFFAOYSA-N 1 2 364.449 3.111 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000455978953 501430568 /nfs/dbraw/zinc/43/05/68/501430568.db2.gz CVAJLIUOYVUDFH-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000458498971 501458989 /nfs/dbraw/zinc/45/89/89/501458989.db2.gz IGHVNZQXTDWYDX-HOTGVXAUSA-N 1 2 365.543 3.411 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000458498971 501458990 /nfs/dbraw/zinc/45/89/90/501458990.db2.gz IGHVNZQXTDWYDX-HOTGVXAUSA-N 1 2 365.543 3.411 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000596101099 506258672 /nfs/dbraw/zinc/25/86/72/506258672.db2.gz ASGMMWRNXWPFSO-CRAIPNDOSA-N 1 2 357.845 3.108 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459489407 501662680 /nfs/dbraw/zinc/66/26/80/501662680.db2.gz JYBMASRGOUDFPE-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459489407 501662682 /nfs/dbraw/zinc/66/26/82/501662682.db2.gz JYBMASRGOUDFPE-AWEZNQCLSA-N 1 2 354.385 3.316 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459731021 501705917 /nfs/dbraw/zinc/70/59/17/501705917.db2.gz SRXRXYSIJBCOLZ-WBVHZDCISA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459731021 501705918 /nfs/dbraw/zinc/70/59/18/501705918.db2.gz SRXRXYSIJBCOLZ-WBVHZDCISA-N 1 2 358.507 3.404 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C1=O ZINC000467519690 501814725 /nfs/dbraw/zinc/81/47/25/501814725.db2.gz FMWOOYRNRJCFRZ-NSHDSACASA-N 1 2 363.708 3.383 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C1=O ZINC000467519690 501814729 /nfs/dbraw/zinc/81/47/29/501814729.db2.gz FMWOOYRNRJCFRZ-NSHDSACASA-N 1 2 363.708 3.383 20 30 FGEDLO N#Cc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000485442179 501822169 /nfs/dbraw/zinc/82/21/69/501822169.db2.gz SDADDNMNNULNLG-UHFFFAOYSA-N 1 2 370.416 3.447 20 30 FGEDLO C=CCSc1ccccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000485474883 501830943 /nfs/dbraw/zinc/83/09/43/501830943.db2.gz AYHWMSAFXBENBV-UHFFFAOYSA-N 1 2 369.490 3.126 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N[C@@H](C#N)C(C)C)cn2c1 ZINC000463833596 501833771 /nfs/dbraw/zinc/83/37/71/501833771.db2.gz AZTOCSAQMPGCIX-SFHVURJKSA-N 1 2 362.433 3.500 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000471201376 501953489 /nfs/dbraw/zinc/95/34/89/501953489.db2.gz FAIRPULHQMJZFO-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(C)n2)c1 ZINC000471201376 501953491 /nfs/dbraw/zinc/95/34/91/501953491.db2.gz FAIRPULHQMJZFO-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO N#Cc1ccc(C[S@](=O)Cc2c[nH+]cn2Cc2ccccc2)cc1F ZINC000478395392 501965992 /nfs/dbraw/zinc/96/59/92/501965992.db2.gz SGUNEJLJJJFEEC-VWLOTQADSA-N 1 2 353.422 3.391 20 30 FGEDLO N#Cc1cccc(-c2cc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)on2)c1 ZINC000468242028 502002889 /nfs/dbraw/zinc/00/28/89/502002889.db2.gz BNTHOBMCDRHIOF-UHFFFAOYSA-N 1 2 373.416 3.138 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](c2ccccc2)C1 ZINC000468252480 502007109 /nfs/dbraw/zinc/00/71/09/502007109.db2.gz AXEIYNLLWDHGSQ-FQEVSTJZSA-N 1 2 372.428 3.342 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](c2ccccc2)C1 ZINC000468252480 502007114 /nfs/dbraw/zinc/00/71/14/502007114.db2.gz AXEIYNLLWDHGSQ-FQEVSTJZSA-N 1 2 372.428 3.342 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CC1(CC#N)CC1 ZINC000602767950 506292349 /nfs/dbraw/zinc/29/23/49/506292349.db2.gz PBLJUSMRYJRDOW-UHFFFAOYSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CC1(CC#N)CC1 ZINC000602767950 506292355 /nfs/dbraw/zinc/29/23/55/506292355.db2.gz PBLJUSMRYJRDOW-UHFFFAOYSA-N 1 2 350.260 3.322 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000464864387 502128848 /nfs/dbraw/zinc/12/88/48/502128848.db2.gz LRTZYNWRPMGCGG-UHFFFAOYSA-N 1 2 350.397 3.156 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1C#N ZINC000486693823 502234353 /nfs/dbraw/zinc/23/43/53/502234353.db2.gz KERPKCUTIBWCTE-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461942753 502246756 /nfs/dbraw/zinc/24/67/56/502246756.db2.gz URQDEKYVMSTXIB-QGPMSJSTSA-N 1 2 360.889 3.420 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C(N)=O)cc1 ZINC000465409884 502254515 /nfs/dbraw/zinc/25/45/15/502254515.db2.gz WWJRRFGUUKGGHO-HNNXBMFYSA-N 1 2 365.767 3.129 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnccc2C)c1 ZINC000483043850 502255263 /nfs/dbraw/zinc/25/52/63/502255263.db2.gz GIAFKCUVAULQJM-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnccc2C)c1 ZINC000483043850 502255270 /nfs/dbraw/zinc/25/52/70/502255270.db2.gz GIAFKCUVAULQJM-UHFFFAOYSA-N 1 2 350.466 3.386 20 30 FGEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000469182470 502327663 /nfs/dbraw/zinc/32/76/63/502327663.db2.gz FMQMBDVBZTZGKC-UHFFFAOYSA-N 1 2 350.353 3.185 20 30 FGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483369007 502364439 /nfs/dbraw/zinc/36/44/39/502364439.db2.gz OIRAXAUBZSMJIT-YJBOKZPZSA-N 1 2 353.384 3.327 20 30 FGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCCOC2)O1 ZINC000483369007 502364446 /nfs/dbraw/zinc/36/44/46/502364446.db2.gz OIRAXAUBZSMJIT-YJBOKZPZSA-N 1 2 353.384 3.327 20 30 FGEDLO N#Cc1ccc(SCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000483440286 502393749 /nfs/dbraw/zinc/39/37/49/502393749.db2.gz QGZNQRKAMPGICL-UHFFFAOYSA-N 1 2 367.474 3.121 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000462481731 502457775 /nfs/dbraw/zinc/45/77/75/502457775.db2.gz YYRAWKRTPLWYKD-QGZVFWFLSA-N 1 2 367.453 3.220 20 30 FGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082301 506314913 /nfs/dbraw/zinc/31/49/13/506314913.db2.gz BDCHKLORANXACA-GOEBONIOSA-N 1 2 351.372 3.042 20 30 FGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 ZINC000599082301 506314919 /nfs/dbraw/zinc/31/49/19/506314919.db2.gz BDCHKLORANXACA-GOEBONIOSA-N 1 2 351.372 3.042 20 30 FGEDLO CCn1nc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc21 ZINC000473133854 502524727 /nfs/dbraw/zinc/52/47/27/502524727.db2.gz UULGZTBEFQVFBG-UHFFFAOYSA-N 1 2 363.440 3.389 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487927933 502569558 /nfs/dbraw/zinc/56/95/58/502569558.db2.gz HGGFZWGXZKJEPD-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO COc1ccc(F)c(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000484301771 502619359 /nfs/dbraw/zinc/61/93/59/502619359.db2.gz BJBDZVBFWKSSHN-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)ccc1C#N ZINC000488237278 502666273 /nfs/dbraw/zinc/66/62/73/502666273.db2.gz XMWKSTMUDPEAJQ-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859399 506329360 /nfs/dbraw/zinc/32/93/60/506329360.db2.gz XXMDQBYCHBDGSE-IXDOHACOSA-N 1 2 356.514 3.057 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859399 506329367 /nfs/dbraw/zinc/32/93/67/506329367.db2.gz XXMDQBYCHBDGSE-IXDOHACOSA-N 1 2 356.514 3.057 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267238 502724236 /nfs/dbraw/zinc/72/42/36/502724236.db2.gz QZMZJUHICYOSEO-XJKSGUPXSA-N 1 2 366.868 3.245 20 30 FGEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477267238 502724240 /nfs/dbraw/zinc/72/42/40/502724240.db2.gz QZMZJUHICYOSEO-XJKSGUPXSA-N 1 2 366.868 3.245 20 30 FGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369777 502753346 /nfs/dbraw/zinc/75/33/46/502753346.db2.gz QDUKDMQDFWKPRQ-JKSUJKDBSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369777 502753350 /nfs/dbraw/zinc/75/33/50/502753350.db2.gz QDUKDMQDFWKPRQ-JKSUJKDBSA-N 1 2 363.889 3.394 20 30 FGEDLO CC(C)(C)OC1CC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000488579939 502756440 /nfs/dbraw/zinc/75/64/40/502756440.db2.gz JKODJOUSKRNRTJ-UHFFFAOYSA-N 1 2 369.509 3.186 20 30 FGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000463361388 502770674 /nfs/dbraw/zinc/77/06/74/502770674.db2.gz NNOCJFNHMMOKEN-GFCCVEGCSA-N 1 2 353.260 3.165 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N(CC)CC)CC2)c1C ZINC000485039260 502807969 /nfs/dbraw/zinc/80/79/69/502807969.db2.gz HNMHTUOJUVFQJK-UHFFFAOYSA-N 1 2 359.514 3.054 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000602882208 506335877 /nfs/dbraw/zinc/33/58/77/506335877.db2.gz SRMZUFSZXZRSPT-GOSISDBHSA-N 1 2 371.872 3.455 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000602882208 506335881 /nfs/dbraw/zinc/33/58/81/506335881.db2.gz SRMZUFSZXZRSPT-GOSISDBHSA-N 1 2 371.872 3.455 20 30 FGEDLO C=CCn1cccc1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000488929084 502840244 /nfs/dbraw/zinc/84/02/44/502840244.db2.gz HRJMXRXQFSGOKV-UHFFFAOYSA-N 1 2 373.254 3.323 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000602895999 506341935 /nfs/dbraw/zinc/34/19/35/506341935.db2.gz HNMHMVNXTMOEKS-UHFFFAOYSA-N 1 2 352.413 3.212 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000509951601 503017822 /nfs/dbraw/zinc/01/78/22/503017822.db2.gz ICHUIHJSTBXZLJ-KXBFYZLASA-N 1 2 350.890 3.259 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000509951601 503017827 /nfs/dbraw/zinc/01/78/27/503017827.db2.gz ICHUIHJSTBXZLJ-KXBFYZLASA-N 1 2 350.890 3.259 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000497752346 503032951 /nfs/dbraw/zinc/03/29/51/503032951.db2.gz ARRQHYGYHCNCJD-QFIPXVFZSA-N 1 2 359.473 3.396 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)cc1 ZINC000506112910 503050940 /nfs/dbraw/zinc/05/09/40/503050940.db2.gz KDSNSMIZPLBQDZ-IBGZPJMESA-N 1 2 366.371 3.018 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)c1C ZINC000506122796 503052284 /nfs/dbraw/zinc/05/22/84/503052284.db2.gz ORDQMZDAWQFWFP-UHFFFAOYSA-N 1 2 354.450 3.392 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C(=O)OC)cc2)c1C ZINC000506122796 503052287 /nfs/dbraw/zinc/05/22/87/503052287.db2.gz ORDQMZDAWQFWFP-UHFFFAOYSA-N 1 2 354.450 3.392 20 30 FGEDLO C=CCC(C)(C)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000490040834 503097490 /nfs/dbraw/zinc/09/74/90/503097490.db2.gz RFBMGFANNCMGED-UHFFFAOYSA-N 1 2 354.454 3.244 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000498122183 503111738 /nfs/dbraw/zinc/11/17/38/503111738.db2.gz YZRFTYNNFGSTKL-UHFFFAOYSA-N 1 2 364.449 3.465 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000593042339 506355416 /nfs/dbraw/zinc/35/54/16/506355416.db2.gz ZAKCYTGGADRIKH-FQEVSTJZSA-N 1 2 365.433 3.056 20 30 FGEDLO COc1cc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000498584400 503220092 /nfs/dbraw/zinc/22/00/92/503220092.db2.gz QZVKIZDYSAKCFC-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000510936524 503221147 /nfs/dbraw/zinc/22/11/47/503221147.db2.gz VREKSCADXMTRLU-NSHDSACASA-N 1 2 358.244 3.498 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000602944651 506360429 /nfs/dbraw/zinc/36/04/29/506360429.db2.gz WDOFYOASCXOXDT-QGZVFWFLSA-N 1 2 353.470 3.102 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000602944651 506360433 /nfs/dbraw/zinc/36/04/33/506360433.db2.gz WDOFYOASCXOXDT-QGZVFWFLSA-N 1 2 353.470 3.102 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905416 503305162 /nfs/dbraw/zinc/30/51/62/503305162.db2.gz VQBQKQJTEZNBLR-FPOVZHCZSA-N 1 2 372.415 3.316 20 30 FGEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000502905416 503305165 /nfs/dbraw/zinc/30/51/65/503305165.db2.gz VQBQKQJTEZNBLR-FPOVZHCZSA-N 1 2 372.415 3.316 20 30 FGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000502930045 503309028 /nfs/dbraw/zinc/30/90/28/503309028.db2.gz HFCNYVASDJOCMT-OAQYLSRUSA-N 1 2 351.425 3.054 20 30 FGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000502930045 503309031 /nfs/dbraw/zinc/30/90/31/503309031.db2.gz HFCNYVASDJOCMT-OAQYLSRUSA-N 1 2 351.425 3.054 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2CC)cc1 ZINC000593056221 506364152 /nfs/dbraw/zinc/36/41/52/506364152.db2.gz BSKGMMWUHCXVOD-KRWDZBQOSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2CC)cc1 ZINC000593056221 506364163 /nfs/dbraw/zinc/36/41/63/506364163.db2.gz BSKGMMWUHCXVOD-KRWDZBQOSA-N 1 2 373.497 3.221 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000507674809 503344543 /nfs/dbraw/zinc/34/45/43/503344543.db2.gz VFIVQGABXXVUIS-RTBURBONSA-N 1 2 373.541 3.187 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796446 503368345 /nfs/dbraw/zinc/36/83/45/503368345.db2.gz NENAQYQGIHCVAY-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000507796446 503368348 /nfs/dbraw/zinc/36/83/48/503368348.db2.gz NENAQYQGIHCVAY-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000492677565 503379819 /nfs/dbraw/zinc/37/98/19/503379819.db2.gz DHKXSHMYQMLOOW-KRWDZBQOSA-N 1 2 361.917 3.219 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000492677565 503379820 /nfs/dbraw/zinc/37/98/20/503379820.db2.gz DHKXSHMYQMLOOW-KRWDZBQOSA-N 1 2 361.917 3.219 20 30 FGEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000515745883 503394899 /nfs/dbraw/zinc/39/48/99/503394899.db2.gz VLLCDTMTWLKJPI-UHFFFAOYSA-N 1 2 369.509 3.442 20 30 FGEDLO N#Cc1nc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)ccc1Cl ZINC000511873420 503405541 /nfs/dbraw/zinc/40/55/41/503405541.db2.gz FEXSZKVQCXZTCC-UHFFFAOYSA-N 1 2 353.788 3.494 20 30 FGEDLO COc1ccc2[nH+]c(C)cc(OCC(=O)NCc3cccc(C#N)c3)c2c1 ZINC000511897260 503409805 /nfs/dbraw/zinc/40/98/05/503409805.db2.gz RRGNTVDKLMOWAS-UHFFFAOYSA-N 1 2 361.401 3.119 20 30 FGEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1C#N ZINC000508096968 503430170 /nfs/dbraw/zinc/43/01/70/503430170.db2.gz NAZJBNQKYNJJMF-UHFFFAOYSA-N 1 2 373.416 3.060 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1 ZINC000516170421 503461371 /nfs/dbraw/zinc/46/13/71/503461371.db2.gz QHBAPFRYZPMAAR-CQSZACIVSA-N 1 2 361.352 3.166 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2Cl)C1=O ZINC000499730477 503469563 /nfs/dbraw/zinc/46/95/63/503469563.db2.gz BSYXPWMJARHFLX-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2Cl)C1=O ZINC000499730477 503469559 /nfs/dbraw/zinc/46/95/59/503469559.db2.gz BSYXPWMJARHFLX-AWEZNQCLSA-N 1 2 357.679 3.321 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000512214435 503488628 /nfs/dbraw/zinc/48/86/28/503488628.db2.gz VZAPNNNBUDZPAU-FQEVSTJZSA-N 1 2 372.440 3.485 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000512214435 503488630 /nfs/dbraw/zinc/48/86/30/503488630.db2.gz VZAPNNNBUDZPAU-FQEVSTJZSA-N 1 2 372.440 3.485 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000512238254 503494607 /nfs/dbraw/zinc/49/46/07/503494607.db2.gz ZJTAASZDYFEFDX-UHFFFAOYSA-N 1 2 372.415 3.488 20 30 FGEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000508489263 503504597 /nfs/dbraw/zinc/50/45/97/503504597.db2.gz MSBKBDJDVORDRX-UHFFFAOYSA-N 1 2 373.476 3.057 20 30 FGEDLO C[C@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516684853 503568180 /nfs/dbraw/zinc/56/81/80/503568180.db2.gz NIEHEXMJLUZTEJ-PXNSSMCTSA-N 1 2 354.498 3.212 20 30 FGEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2ccccc2C#N)CCCC1 ZINC000516735849 503578587 /nfs/dbraw/zinc/57/85/87/503578587.db2.gz JWCAHLQGSSEUOF-UHFFFAOYSA-N 1 2 357.454 3.131 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000512575052 503587784 /nfs/dbraw/zinc/58/77/84/503587784.db2.gz VNCQEUWISAXEAW-QGZVFWFLSA-N 1 2 350.809 3.465 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000512690206 503614100 /nfs/dbraw/zinc/61/41/00/503614100.db2.gz HJXYDETYZMVCCE-RBUKOAKNSA-N 1 2 355.388 3.320 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000512690206 503614104 /nfs/dbraw/zinc/61/41/04/503614104.db2.gz HJXYDETYZMVCCE-RBUKOAKNSA-N 1 2 355.388 3.320 20 30 FGEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000495062625 503655743 /nfs/dbraw/zinc/65/57/43/503655743.db2.gz FLFNYQGKARROHM-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000527048619 503657119 /nfs/dbraw/zinc/65/71/19/503657119.db2.gz BJZNCQGVRDPFHT-LSDHHAIUSA-N 1 2 361.873 3.134 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000527048619 503657124 /nfs/dbraw/zinc/65/71/24/503657124.db2.gz BJZNCQGVRDPFHT-LSDHHAIUSA-N 1 2 361.873 3.134 20 30 FGEDLO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000543191002 503669736 /nfs/dbraw/zinc/66/97/36/503669736.db2.gz AYTAZDXOTMJNCS-QGZVFWFLSA-N 1 2 372.266 3.174 20 30 FGEDLO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000543191002 503669743 /nfs/dbraw/zinc/66/97/43/503669743.db2.gz AYTAZDXOTMJNCS-QGZVFWFLSA-N 1 2 372.266 3.174 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)n1 ZINC000546257151 503688232 /nfs/dbraw/zinc/68/82/32/503688232.db2.gz LDLDHCRQTDSXMT-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@H](C#N)C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000536750855 503711469 /nfs/dbraw/zinc/71/14/69/503711469.db2.gz ATSMMJGJLPMABN-GFCCVEGCSA-N 1 2 355.511 3.319 20 30 FGEDLO C[C@H](C#N)C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CC1 ZINC000536750855 503711475 /nfs/dbraw/zinc/71/14/75/503711475.db2.gz ATSMMJGJLPMABN-GFCCVEGCSA-N 1 2 355.511 3.319 20 30 FGEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000543488133 503792240 /nfs/dbraw/zinc/79/22/40/503792240.db2.gz AHLCRTQZSQHEFP-SFHVURJKSA-N 1 2 355.438 3.066 20 30 FGEDLO COCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)o1 ZINC000543509950 503798364 /nfs/dbraw/zinc/79/83/64/503798364.db2.gz LITIRPCHYPDGMB-MRXNPFEDSA-N 1 2 352.394 3.377 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000537184839 503832007 /nfs/dbraw/zinc/83/20/07/503832007.db2.gz GHQUNBXRORPVFE-UYAOXDASSA-N 1 2 359.514 3.412 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3(c4ccccc4)CC3)CC2)cc1 ZINC000527688349 503895882 /nfs/dbraw/zinc/89/58/82/503895882.db2.gz YNAFXJZWAQZVRX-UHFFFAOYSA-N 1 2 359.473 3.324 20 30 FGEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(F)(F)CC1 ZINC000527688346 503896233 /nfs/dbraw/zinc/89/62/33/503896233.db2.gz YGJLIRSBFXXSBA-UHFFFAOYSA-N 1 2 361.436 3.418 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543806772 503899042 /nfs/dbraw/zinc/89/90/42/503899042.db2.gz BCQVLHKYIQGUOM-UHFFFAOYSA-N 1 2 351.454 3.053 20 30 FGEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000527758437 503930867 /nfs/dbraw/zinc/93/08/67/503930867.db2.gz VQECDDRSHNFBJH-UHFFFAOYSA-N 1 2 363.889 3.193 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000537680245 504002692 /nfs/dbraw/zinc/00/26/92/504002692.db2.gz BZWSNZGYTCQHKS-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000537680245 504002700 /nfs/dbraw/zinc/00/27/00/504002700.db2.gz BZWSNZGYTCQHKS-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534525383 504166466 /nfs/dbraw/zinc/16/64/66/504166466.db2.gz OWPFWDFGVYBGJP-UHFFFAOYSA-N 1 2 371.506 3.340 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000528351775 504183403 /nfs/dbraw/zinc/18/34/03/504183403.db2.gz AZPFYVUFGKDRFY-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000528351775 504183407 /nfs/dbraw/zinc/18/34/07/504183407.db2.gz AZPFYVUFGKDRFY-UYAOXDASSA-N 1 2 372.852 3.025 20 30 FGEDLO C=C[C@](C)(O)CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000547753627 504211624 /nfs/dbraw/zinc/21/16/24/504211624.db2.gz WLAIKMOUKHNMLE-QAPCUYQASA-N 1 2 354.853 3.059 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528593940 504287423 /nfs/dbraw/zinc/28/74/23/504287423.db2.gz OGWGNQAFYZFVRT-UHFFFAOYSA-N 1 2 366.465 3.091 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528593940 504287428 /nfs/dbraw/zinc/28/74/28/504287428.db2.gz OGWGNQAFYZFVRT-UHFFFAOYSA-N 1 2 366.465 3.091 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1OC ZINC000538805312 504378584 /nfs/dbraw/zinc/37/85/84/504378584.db2.gz PQGFZUJJUAZOFW-CQSZACIVSA-N 1 2 358.404 3.328 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1OC ZINC000538805312 504378589 /nfs/dbraw/zinc/37/85/89/504378589.db2.gz PQGFZUJJUAZOFW-CQSZACIVSA-N 1 2 358.404 3.328 20 30 FGEDLO C=CCc1cc(CNC(=O)Nc2cc(C)[nH+]cc2C)cc(OC)c1OC ZINC000535772328 504539952 /nfs/dbraw/zinc/53/99/52/504539952.db2.gz CCBMKPNOKFSGJE-UHFFFAOYSA-N 1 2 355.438 3.188 20 30 FGEDLO C=CCC[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000539357529 504540071 /nfs/dbraw/zinc/54/00/71/504540071.db2.gz LPBQRTUCYVWRAT-MRXNPFEDSA-N 1 2 355.463 3.306 20 30 FGEDLO Cc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)c(N2CCCC2)[nH+]1 ZINC000545664352 504555707 /nfs/dbraw/zinc/55/57/07/504555707.db2.gz ALGIVEHDDWBKRZ-UHFFFAOYSA-N 1 2 361.405 3.491 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913441 504581813 /nfs/dbraw/zinc/58/18/13/504581813.db2.gz HKQGPHDVIURTSW-DNVCBOLYSA-N 1 2 366.452 3.417 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)OCC ZINC000535913441 504581818 /nfs/dbraw/zinc/58/18/18/504581818.db2.gz HKQGPHDVIURTSW-DNVCBOLYSA-N 1 2 366.452 3.417 20 30 FGEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000520942040 504614003 /nfs/dbraw/zinc/61/40/03/504614003.db2.gz XXAASNWGEJDVST-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000532468574 504660518 /nfs/dbraw/zinc/66/05/18/504660518.db2.gz YLMQJGYHXRJDQE-UHFFFAOYSA-N 1 2 369.472 3.333 20 30 FGEDLO C[C@H]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000521350399 504716140 /nfs/dbraw/zinc/71/61/40/504716140.db2.gz LPKKAUSCBDNDDH-PXNSSMCTSA-N 1 2 354.498 3.212 20 30 FGEDLO C[C@]([NH2+]Cc1ccc(C#N)s1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000521639331 504767775 /nfs/dbraw/zinc/76/77/75/504767775.db2.gz FWSWBRGAEXEXIN-OAHLLOKOSA-N 1 2 353.369 3.129 20 30 FGEDLO N#Cc1ccc(CSCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000556016542 504778673 /nfs/dbraw/zinc/77/86/73/504778673.db2.gz XUXJDHHUSDTLIA-DLBZAZTESA-N 1 2 370.478 3.300 20 30 FGEDLO N#Cc1ccc(CSCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000556016542 504778679 /nfs/dbraw/zinc/77/86/79/504778679.db2.gz XUXJDHHUSDTLIA-DLBZAZTESA-N 1 2 370.478 3.300 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2CF)c1C#N ZINC000550010286 504951262 /nfs/dbraw/zinc/95/12/62/504951262.db2.gz OAPAOHKQYGBGHI-KRWDZBQOSA-N 1 2 372.419 3.477 20 30 FGEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2CF)c1C#N ZINC000550010286 504951265 /nfs/dbraw/zinc/95/12/65/504951265.db2.gz OAPAOHKQYGBGHI-KRWDZBQOSA-N 1 2 372.419 3.477 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1 ZINC000560074527 504984987 /nfs/dbraw/zinc/98/49/87/504984987.db2.gz IIEDOSIRSMOMRO-JOCHJYFZSA-N 1 2 367.493 3.204 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sc2ccccc2c1Br ZINC000566308288 505140961 /nfs/dbraw/zinc/14/09/61/505140961.db2.gz GMGNZOYXFACEEQ-HNNXBMFYSA-N 1 2 366.284 3.237 20 30 FGEDLO COc1cncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000566997208 505333801 /nfs/dbraw/zinc/33/38/01/505333801.db2.gz VUXJWKVQLBZQSE-LJQANCHMSA-N 1 2 356.857 3.126 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC000564557284 505451744 /nfs/dbraw/zinc/45/17/44/505451744.db2.gz CJMJIAGXRCEKJS-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 ZINC000564558678 505452647 /nfs/dbraw/zinc/45/26/47/505452647.db2.gz KWORDUWKCAGPLA-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000564561899 505453750 /nfs/dbraw/zinc/45/37/50/505453750.db2.gz OVSUWWPWMANBII-CQSZACIVSA-N 1 2 370.478 3.258 20 30 FGEDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000564561899 505453754 /nfs/dbraw/zinc/45/37/54/505453754.db2.gz OVSUWWPWMANBII-CQSZACIVSA-N 1 2 370.478 3.258 20 30 FGEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000593120631 506406527 /nfs/dbraw/zinc/40/65/27/506406527.db2.gz DHCILKJAKKJECV-INIZCTEOSA-N 1 2 362.351 3.333 20 30 FGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000593120631 506406532 /nfs/dbraw/zinc/40/65/32/506406532.db2.gz DHCILKJAKKJECV-INIZCTEOSA-N 1 2 362.351 3.333 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000593154396 506428707 /nfs/dbraw/zinc/42/87/07/506428707.db2.gz MBRYVKSCRAXANE-SFHVURJKSA-N 1 2 358.829 3.101 20 30 FGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000589164050 506466470 /nfs/dbraw/zinc/46/64/70/506466470.db2.gz NEOAINSXNZPABW-GOEBONIOSA-N 1 2 355.438 3.339 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C#N ZINC000589272770 506503810 /nfs/dbraw/zinc/50/38/10/506503810.db2.gz VSCPIJCWNCJUDZ-PMACEKPBSA-N 1 2 350.466 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1C#N ZINC000589272770 506503815 /nfs/dbraw/zinc/50/38/15/506503815.db2.gz VSCPIJCWNCJUDZ-PMACEKPBSA-N 1 2 350.466 3.442 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589411862 506541844 /nfs/dbraw/zinc/54/18/44/506541844.db2.gz DHEPBJQNPFGRBF-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589411862 506541853 /nfs/dbraw/zinc/54/18/53/506541853.db2.gz DHEPBJQNPFGRBF-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO COc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1Cl ZINC000599678314 506574721 /nfs/dbraw/zinc/57/47/21/506574721.db2.gz SRWAJNSCSRLVID-UHFFFAOYSA-N 1 2 369.852 3.411 20 30 FGEDLO COc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1Cl ZINC000599678314 506574731 /nfs/dbraw/zinc/57/47/31/506574731.db2.gz SRWAJNSCSRLVID-UHFFFAOYSA-N 1 2 369.852 3.411 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686295 506581171 /nfs/dbraw/zinc/58/11/71/506581171.db2.gz PHIYBVYMSXJABE-HNNXBMFYSA-N 1 2 351.425 3.127 20 30 FGEDLO C[C@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686295 506581175 /nfs/dbraw/zinc/58/11/75/506581175.db2.gz PHIYBVYMSXJABE-HNNXBMFYSA-N 1 2 351.425 3.127 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1Cl ZINC000583117216 506597380 /nfs/dbraw/zinc/59/73/80/506597380.db2.gz BMLHLQDQTLUDOX-UHFFFAOYSA-N 1 2 362.842 3.008 20 30 FGEDLO CCCc1c(NC(=O)N(C)Cc2c[nH+]c[nH]2)cnn1-c1cccc(C#N)c1 ZINC000596854349 506638873 /nfs/dbraw/zinc/63/88/73/506638873.db2.gz PEVVZVDPGLORMV-UHFFFAOYSA-N 1 2 363.425 3.083 20 30 FGEDLO CCCc1c(NC(=O)N(C)Cc2c[nH]c[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000596854349 506638878 /nfs/dbraw/zinc/63/88/78/506638878.db2.gz PEVVZVDPGLORMV-UHFFFAOYSA-N 1 2 363.425 3.083 20 30 FGEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000603903080 506654072 /nfs/dbraw/zinc/65/40/72/506654072.db2.gz MLEQLUAOHMGYIR-OAHLLOKOSA-N 1 2 369.856 3.128 20 30 FGEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n1 ZINC000603903080 506654080 /nfs/dbraw/zinc/65/40/80/506654080.db2.gz MLEQLUAOHMGYIR-OAHLLOKOSA-N 1 2 369.856 3.128 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000608782344 506708206 /nfs/dbraw/zinc/70/82/06/506708206.db2.gz SWMALXGFYDPXOR-UHFFFAOYSA-N 1 2 354.458 3.012 20 30 FGEDLO CC[C@H](Nc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000608799668 506713900 /nfs/dbraw/zinc/71/39/00/506713900.db2.gz SIBXBBYIKIOAHA-NRFANRHFSA-N 1 2 362.477 3.093 20 30 FGEDLO Cc1ccccc1C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000608875574 506733874 /nfs/dbraw/zinc/73/38/74/506733874.db2.gz QCOMTWMVTKXDRA-UHFFFAOYSA-N 1 2 359.473 3.243 20 30 FGEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609058071 506768964 /nfs/dbraw/zinc/76/89/64/506768964.db2.gz UUMNSFVTGNJQQN-UHFFFAOYSA-N 1 2 362.389 3.444 20 30 FGEDLO N#CCn1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC000609200812 506811458 /nfs/dbraw/zinc/81/14/58/506811458.db2.gz DNJUWFVORQYJHD-UHFFFAOYSA-N 1 2 355.401 3.281 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000597172511 506812427 /nfs/dbraw/zinc/81/24/27/506812427.db2.gz BTLGNVUFMCEWQN-GFCCVEGCSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000597172511 506812433 /nfs/dbraw/zinc/81/24/33/506812433.db2.gz BTLGNVUFMCEWQN-GFCCVEGCSA-N 1 2 351.244 3.346 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000590616758 506882415 /nfs/dbraw/zinc/88/24/15/506882415.db2.gz VWGNLTAIFLIKDV-JOCHJYFZSA-N 1 2 367.493 3.122 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754349 506939088 /nfs/dbraw/zinc/93/90/88/506939088.db2.gz ABHYPFKWBSUZPQ-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754349 506939092 /nfs/dbraw/zinc/93/90/92/506939092.db2.gz ABHYPFKWBSUZPQ-QGZVFWFLSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618955 506949275 /nfs/dbraw/zinc/94/92/75/506949275.db2.gz OZRIKBODGPHXIA-UHFFFAOYSA-N 1 2 350.378 3.012 20 30 FGEDLO Cc1nc(SCC(=O)Nc2ccc3[nH+]ccn3c2)c(C#N)c(C)c1C ZINC000609623074 506950787 /nfs/dbraw/zinc/95/07/87/506950787.db2.gz JITBYCPPTNNZNN-UHFFFAOYSA-N 1 2 351.435 3.257 20 30 FGEDLO N#C[C@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCc2ccccc2C1 ZINC000597521894 506989592 /nfs/dbraw/zinc/98/95/92/506989592.db2.gz DESCKELCQSZAQE-REWPJTCUSA-N 1 2 370.456 3.499 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)c1c(F)cccc1F ZINC000594222268 507020167 /nfs/dbraw/zinc/02/01/67/507020167.db2.gz JROJFRZEHCAOGH-SFHVURJKSA-N 1 2 370.403 3.165 20 30 FGEDLO Cc1ccccc1COc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000583929969 507056125 /nfs/dbraw/zinc/05/61/25/507056125.db2.gz LPHVOJCZFFEIPL-HXUWFJFHSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1ccccc1COc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000583929969 507056132 /nfs/dbraw/zinc/05/61/32/507056132.db2.gz LPHVOJCZFFEIPL-HXUWFJFHSA-N 1 2 353.466 3.192 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)NC2(c3ccc(C#N)cc3)CCC2)c(C)[nH+]1 ZINC000594323281 507078428 /nfs/dbraw/zinc/07/84/28/507078428.db2.gz CAHBHSRHEZVRMF-UHFFFAOYSA-N 1 2 362.433 3.013 20 30 FGEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)nnc4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000610116450 507105538 /nfs/dbraw/zinc/10/55/38/507105538.db2.gz WTPNBSMMTWNAIY-GJZGRUSLSA-N 1 2 374.448 3.122 20 30 FGEDLO C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540028 507176464 /nfs/dbraw/zinc/17/64/64/507176464.db2.gz OCLJIOXQNAPJFT-UIAACRFSSA-N 1 2 369.509 3.248 20 30 FGEDLO C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610352503 507208789 /nfs/dbraw/zinc/20/87/89/507208789.db2.gz BZBMHQXNBKYNIH-GMAHTHKFSA-N 1 2 374.488 3.116 20 30 FGEDLO Cc1ccc([C@H]2OCCC[C@@H]2Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000610430994 507236482 /nfs/dbraw/zinc/23/64/82/507236482.db2.gz BOBBTJHYMVYIBY-ZWKOTPCHSA-N 1 2 362.437 3.381 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)o2)c1 ZINC000610847118 507411683 /nfs/dbraw/zinc/41/16/83/507411683.db2.gz LCFGIYJDZFPKED-UHFFFAOYSA-N 1 2 356.389 3.084 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000606833153 507523526 /nfs/dbraw/zinc/52/35/26/507523526.db2.gz ZXRXIFTUNNDNHA-LBPRGKRZSA-N 1 2 353.344 3.285 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502321 507531570 /nfs/dbraw/zinc/53/15/70/507531570.db2.gz SCEHLOGLUZGEOO-ZBFHGGJFSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502321 507531576 /nfs/dbraw/zinc/53/15/76/507531576.db2.gz SCEHLOGLUZGEOO-ZBFHGGJFSA-N 1 2 352.438 3.370 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000598650092 507532230 /nfs/dbraw/zinc/53/22/30/507532230.db2.gz QOKKHYQHYFKYSG-CQSZACIVSA-N 1 2 370.453 3.248 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000598650092 507532238 /nfs/dbraw/zinc/53/22/38/507532238.db2.gz QOKKHYQHYFKYSG-CQSZACIVSA-N 1 2 370.453 3.248 20 30 FGEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Br)cc2C#N)n1 ZINC000595527319 507545326 /nfs/dbraw/zinc/54/53/26/507545326.db2.gz NNPGBGHYQHSUAB-UHFFFAOYSA-N 1 2 361.243 3.150 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N3CC[C@@](C)(C#N)C3)ccc2n1C1CC1 ZINC000595600033 507583504 /nfs/dbraw/zinc/58/35/04/507583504.db2.gz FLKLXZNUZRNVRO-FQEVSTJZSA-N 1 2 351.454 3.379 20 30 FGEDLO COc1ccccc1/C=C\C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260360 507587548 /nfs/dbraw/zinc/58/75/48/507587548.db2.gz VFGOUZNUORQRAM-XQRVVYSFSA-N 1 2 364.449 3.268 20 30 FGEDLO CC(C)C[C@@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)n1cc[nH+]c1 ZINC000602091575 507588381 /nfs/dbraw/zinc/58/83/81/507588381.db2.gz LBTKFRSBESQHRW-KRWDZBQOSA-N 1 2 368.437 3.188 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000595612255 507588947 /nfs/dbraw/zinc/58/89/47/507588947.db2.gz ULFIXCGOIPYSFH-OAHLLOKOSA-N 1 2 371.872 3.149 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000595612255 507588953 /nfs/dbraw/zinc/58/89/53/507588953.db2.gz ULFIXCGOIPYSFH-OAHLLOKOSA-N 1 2 371.872 3.149 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000595612254 507589876 /nfs/dbraw/zinc/58/98/76/507589876.db2.gz ULFIXCGOIPYSFH-HNNXBMFYSA-N 1 2 371.872 3.149 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000595612254 507589882 /nfs/dbraw/zinc/58/98/82/507589882.db2.gz ULFIXCGOIPYSFH-HNNXBMFYSA-N 1 2 371.872 3.149 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000595614908 507591038 /nfs/dbraw/zinc/59/10/38/507591038.db2.gz JMZJMRJXTDPUCN-CQSZACIVSA-N 1 2 356.495 3.453 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000595614908 507591046 /nfs/dbraw/zinc/59/10/46/507591046.db2.gz JMZJMRJXTDPUCN-CQSZACIVSA-N 1 2 356.495 3.453 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000595617249 507593624 /nfs/dbraw/zinc/59/36/24/507593624.db2.gz HOLZWHVYCAREAE-OAQYLSRUSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000595617249 507593630 /nfs/dbraw/zinc/59/36/30/507593630.db2.gz HOLZWHVYCAREAE-OAQYLSRUSA-N 1 2 355.482 3.051 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000595619967 507596104 /nfs/dbraw/zinc/59/61/04/507596104.db2.gz IDRZYKNVEYLSKF-OAHLLOKOSA-N 1 2 372.469 3.437 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000595619967 507596110 /nfs/dbraw/zinc/59/61/10/507596110.db2.gz IDRZYKNVEYLSKF-OAHLLOKOSA-N 1 2 372.469 3.437 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000614681061 507617957 /nfs/dbraw/zinc/61/79/57/507617957.db2.gz ODKNYJQTNQBJLQ-HNNXBMFYSA-N 1 2 374.404 3.079 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000595723218 507648394 /nfs/dbraw/zinc/64/83/94/507648394.db2.gz SDJGAHFBDMFWNT-INIZCTEOSA-N 1 2 362.474 3.257 20 30 FGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000611383503 507652617 /nfs/dbraw/zinc/65/26/17/507652617.db2.gz GLSLGFGKFGXIHZ-VXGBXAGGSA-N 1 2 364.243 3.314 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000611385835 507655111 /nfs/dbraw/zinc/65/51/11/507655111.db2.gz URRJDMBRPXGDJB-UHFFFAOYSA-N 1 2 362.393 3.143 20 30 FGEDLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OCC ZINC000592524056 507694355 /nfs/dbraw/zinc/69/43/55/507694355.db2.gz UGXIBWURMQKMLW-GOSISDBHSA-N 1 2 352.862 3.378 20 30 FGEDLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OCC ZINC000592524056 507694362 /nfs/dbraw/zinc/69/43/62/507694362.db2.gz UGXIBWURMQKMLW-GOSISDBHSA-N 1 2 352.862 3.378 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000595817596 507699171 /nfs/dbraw/zinc/69/91/71/507699171.db2.gz OGDZJYSEWAGWQR-DZIBYMRMSA-N 1 2 372.488 3.302 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)s1 ZINC000595913401 507741417 /nfs/dbraw/zinc/74/14/17/507741417.db2.gz TUVGIWXQKQIXDT-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)s1 ZINC000595913401 507741420 /nfs/dbraw/zinc/74/14/20/507741420.db2.gz TUVGIWXQKQIXDT-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CCC(F)(F)C1)C2 ZINC000330246000 713835286 /nfs/dbraw/zinc/83/52/86/713835286.db2.gz DYFLLNZSIMDHFE-OLZOCXBDSA-N 1 2 354.445 3.434 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl ZINC000619746770 714865973 /nfs/dbraw/zinc/86/59/73/714865973.db2.gz JUWXPKBIMQTDRI-SFHVURJKSA-N 1 2 357.816 3.460 20 30 FGEDLO C=C[C@H](N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809818 714872330 /nfs/dbraw/zinc/87/23/30/714872330.db2.gz KMBIIOBJEQCZCX-GVDBMIGSSA-N 1 2 354.853 3.320 20 30 FGEDLO C=C[C@H](N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)OC ZINC000619809818 714872332 /nfs/dbraw/zinc/87/23/32/714872332.db2.gz KMBIIOBJEQCZCX-GVDBMIGSSA-N 1 2 354.853 3.320 20 30 FGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633486973 716943647 /nfs/dbraw/zinc/94/36/47/716943647.db2.gz NONVMBNVRCTTAH-MRXNPFEDSA-N 1 2 360.527 3.133 20 30 FGEDLO COc1ccccc1Nc1nc(Cl)c(C=[NH+]NCC(C)(C)CO)s1 ZINC000799115667 723988871 /nfs/dbraw/zinc/98/88/71/723988871.db2.gz KNDQXQJHDRRKIC-UHFFFAOYSA-N 1 2 368.890 3.491 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000639726468 717595351 /nfs/dbraw/zinc/59/53/51/717595351.db2.gz ARLITMOHVBAOLE-KUHUBIRLSA-N 1 2 361.873 3.029 20 30 FGEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)nn1 ZINC000641134627 717865352 /nfs/dbraw/zinc/86/53/52/717865352.db2.gz MJJXVEIOZQFCNY-CYBMUJFWSA-N 1 2 355.829 3.309 20 30 FGEDLO C=CCCn1cc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)nn1 ZINC000653636743 719068204 /nfs/dbraw/zinc/06/82/04/719068204.db2.gz MZJNJWGVKGGZGV-UHFFFAOYSA-N 1 2 354.376 3.384 20 30 FGEDLO C=CCCn1cc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)nn1 ZINC000653636743 719068209 /nfs/dbraw/zinc/06/82/09/719068209.db2.gz MZJNJWGVKGGZGV-UHFFFAOYSA-N 1 2 354.376 3.384 20 30 FGEDLO Brc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000732713305 722487641 /nfs/dbraw/zinc/48/76/41/722487641.db2.gz XGSOACPQAQLUKP-UHFFFAOYSA-N 1 2 361.243 3.127 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791563145 723258968 /nfs/dbraw/zinc/25/89/68/723258968.db2.gz IQWSEZKGTSRMAN-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC000791563145 723258974 /nfs/dbraw/zinc/25/89/74/723258974.db2.gz IQWSEZKGTSRMAN-KRWDZBQOSA-N 1 2 373.250 3.249 20 30 FGEDLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638949 723537274 /nfs/dbraw/zinc/53/72/74/723537274.db2.gz IMDMUPJFDSODRZ-CJNGLKHVSA-N 1 2 357.483 3.066 20 30 FGEDLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794638949 723537276 /nfs/dbraw/zinc/53/72/76/723537276.db2.gz IMDMUPJFDSODRZ-CJNGLKHVSA-N 1 2 357.483 3.066 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000767098280 723606745 /nfs/dbraw/zinc/60/67/45/723606745.db2.gz KGVCVEZKKDQFGY-RDJZCZTQSA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000767098280 723606747 /nfs/dbraw/zinc/60/67/47/723606747.db2.gz KGVCVEZKKDQFGY-RDJZCZTQSA-N 1 2 352.400 3.405 20 30 FGEDLO CCc1ccc([C@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000795729941 723607637 /nfs/dbraw/zinc/60/76/37/723607637.db2.gz VVGLCNSBRWREMF-KRWDZBQOSA-N 1 2 355.511 3.417 20 30 FGEDLO CCc1ccc([C@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000795729941 723607639 /nfs/dbraw/zinc/60/76/39/723607639.db2.gz VVGLCNSBRWREMF-KRWDZBQOSA-N 1 2 355.511 3.417 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797527825 723830409 /nfs/dbraw/zinc/83/04/09/723830409.db2.gz LUWXYDULHYWGBT-CLCXKQKWSA-N 1 2 364.873 3.401 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000797527825 723830414 /nfs/dbraw/zinc/83/04/14/723830414.db2.gz LUWXYDULHYWGBT-CLCXKQKWSA-N 1 2 364.873 3.401 20 30 FGEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCCO1 ZINC000775348535 723984748 /nfs/dbraw/zinc/98/47/48/723984748.db2.gz KSMOZHPPWNRWSO-HOCLYGCPSA-N 1 2 360.255 3.110 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)[C@@H]1CCCO1 ZINC000775791022 724061433 /nfs/dbraw/zinc/06/14/33/724061433.db2.gz KPYTWFFPXRXFNI-IRXDYDNUSA-N 1 2 358.463 3.098 20 30 FGEDLO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405077 725306411 /nfs/dbraw/zinc/30/64/11/725306411.db2.gz MZFYXKYJESKFNN-RYUDHWBXSA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)C(F)(F)F ZINC000810405077 725306413 /nfs/dbraw/zinc/30/64/13/725306413.db2.gz MZFYXKYJESKFNN-RYUDHWBXSA-N 1 2 372.284 3.296 20 30 FGEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)cc2Cl)n1C ZINC000811645600 725375627 /nfs/dbraw/zinc/37/56/27/725375627.db2.gz SWYNQRCFWWGRJO-UHFFFAOYSA-N 1 2 356.655 3.348 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000811958481 725385865 /nfs/dbraw/zinc/38/58/65/725385865.db2.gz CBPBWJZGEPQLBY-RDJZCZTQSA-N 1 2 356.857 3.337 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000814176023 726945158 /nfs/dbraw/zinc/94/51/58/726945158.db2.gz NKXSTFRBBZVLSR-UHFFFAOYSA-N 1 2 364.421 3.324 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OC2CCCC2)c(Cl)c1 ZINC000819424684 727374344 /nfs/dbraw/zinc/37/43/44/727374344.db2.gz WYUDXOHKAPBTCR-HNNXBMFYSA-N 1 2 351.878 3.280 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OC2CCCC2)c(Cl)c1 ZINC000819424684 727374346 /nfs/dbraw/zinc/37/43/46/727374346.db2.gz WYUDXOHKAPBTCR-HNNXBMFYSA-N 1 2 351.878 3.280 20 30 FGEDLO N#CCOc1cc(F)ccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000820895459 729041930 /nfs/dbraw/zinc/04/19/30/729041930.db2.gz FSDVQUDPPULPSF-ZDUSSCGKSA-N 1 2 356.279 3.057 20 30 FGEDLO C[C@]1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000822218600 729154377 /nfs/dbraw/zinc/15/43/77/729154377.db2.gz UPKMFJUFBMFCOB-KRWDZBQOSA-N 1 2 366.292 3.176 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000827823232 729435556 /nfs/dbraw/zinc/43/55/56/729435556.db2.gz LQLKSWOHWFQLKV-UHFFFAOYSA-N 1 2 362.271 3.311 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000827823232 729435557 /nfs/dbraw/zinc/43/55/57/729435557.db2.gz LQLKSWOHWFQLKV-UHFFFAOYSA-N 1 2 362.271 3.311 20 30 FGEDLO C#Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000837107170 729993886 /nfs/dbraw/zinc/99/38/86/729993886.db2.gz ZDSCBBFTFOIRCF-FQEVSTJZSA-N 1 2 350.487 3.074 20 30 FGEDLO COc1ccc(Cl)cc1C#CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845583047 730867958 /nfs/dbraw/zinc/86/79/58/730867958.db2.gz RRYPEMGAXNKSKP-UHFFFAOYSA-N 1 2 358.825 3.019 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000847026903 731008791 /nfs/dbraw/zinc/00/87/91/731008791.db2.gz QYMBEKUYKWUPSV-CYBMUJFWSA-N 1 2 360.255 3.268 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000847026903 731008795 /nfs/dbraw/zinc/00/87/95/731008795.db2.gz QYMBEKUYKWUPSV-CYBMUJFWSA-N 1 2 360.255 3.268 20 30 FGEDLO Cc1[nH+]cc(C=NN(C(=S)NCc2ccc(F)cc2)C(C)(C)C)n1C ZINC000853293480 731692121 /nfs/dbraw/zinc/69/21/21/731692121.db2.gz HGFARXVILXEKRS-UHFFFAOYSA-N 1 2 361.490 3.377 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000854249210 731808642 /nfs/dbraw/zinc/80/86/42/731808642.db2.gz YTYBPFIBPANKAU-INIZCTEOSA-N 1 2 366.292 3.176 20 30 FGEDLO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866398889 733343262 /nfs/dbraw/zinc/34/32/62/733343262.db2.gz PMQVLYCQKVEUQW-JTQLQIEISA-N 1 2 362.227 3.281 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700783 737034651 /nfs/dbraw/zinc/03/46/51/737034651.db2.gz MXRCIPMABDEXQH-UKRRQHHQSA-N 1 2 362.499 3.236 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nc(C#N)cs2)C1 ZINC000879700783 737034657 /nfs/dbraw/zinc/03/46/57/737034657.db2.gz MXRCIPMABDEXQH-UKRRQHHQSA-N 1 2 362.499 3.236 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000880479312 737179583 /nfs/dbraw/zinc/17/95/83/737179583.db2.gz SOMIDBQDHOJUEI-UHFFFAOYSA-N 1 2 356.491 3.381 20 30 FGEDLO N#Cc1cnc(N2CCC(Nc3cccc[nH+]3)CC2)c(Br)c1 ZINC000895347251 742400313 /nfs/dbraw/zinc/40/03/13/742400313.db2.gz UCSHUWDSFGYKDY-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000896025380 742483695 /nfs/dbraw/zinc/48/36/95/742483695.db2.gz KOTBYMINFWWEMI-UHFFFAOYSA-N 1 2 365.246 3.420 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccnc3Br)C2)nc1 ZINC000896650465 742577276 /nfs/dbraw/zinc/57/72/76/742577276.db2.gz IDDMTGKSUJHGJI-OAHLLOKOSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cccnc3Br)C2)nc1 ZINC000896650465 742577280 /nfs/dbraw/zinc/57/72/80/742577280.db2.gz IDDMTGKSUJHGJI-OAHLLOKOSA-N 1 2 372.270 3.187 20 30 FGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000897624236 742696597 /nfs/dbraw/zinc/69/65/97/742696597.db2.gz DBADERKVRSZDIL-UHFFFAOYSA-N 1 2 359.455 3.389 20 30 FGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000897624236 742696600 /nfs/dbraw/zinc/69/66/00/742696600.db2.gz DBADERKVRSZDIL-UHFFFAOYSA-N 1 2 359.455 3.389 20 30 FGEDLO C#C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccc(Br)cc1 ZINC000897871938 742722793 /nfs/dbraw/zinc/72/27/93/742722793.db2.gz HJAXVQZCEVJBJC-OAHLLOKOSA-N 1 2 360.255 3.180 20 30 FGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000901476904 743287709 /nfs/dbraw/zinc/28/77/09/743287709.db2.gz LZCZVGQWSGRBAU-VMPITWQZSA-N 1 2 354.378 3.356 20 30 FGEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccns2)cc1 ZINC000902731093 743771792 /nfs/dbraw/zinc/77/17/92/743771792.db2.gz UATHMINOWLQACG-UHFFFAOYSA-N 1 2 362.455 3.005 20 30 FGEDLO CC(=[NH+]NC(=S)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000915923679 758004578 /nfs/dbraw/zinc/00/45/78/758004578.db2.gz LLGNMGQWCVYEBA-UHFFFAOYSA-N 1 2 354.479 3.234 20 30 FGEDLO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc(C#N)c1O ZINC000924807973 759395788 /nfs/dbraw/zinc/39/57/88/759395788.db2.gz PGYPSHWVGSBUIJ-GOSISDBHSA-N 1 2 358.463 3.169 20 30 FGEDLO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1cccc(C#N)c1O ZINC000925970873 759591128 /nfs/dbraw/zinc/59/11/28/759591128.db2.gz XFIIFHOYBPUXQB-GOSISDBHSA-N 1 2 358.463 3.298 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](C#N)C3)sc2C1 ZINC000932155445 761069657 /nfs/dbraw/zinc/06/96/57/761069657.db2.gz FGPGTLJVOKRDKV-UONOGXRCSA-N 1 2 356.495 3.309 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](C#N)C3)sc2C1 ZINC000932155445 761069671 /nfs/dbraw/zinc/06/96/71/761069671.db2.gz FGPGTLJVOKRDKV-UONOGXRCSA-N 1 2 356.495 3.309 20 30 FGEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932360831 761146817 /nfs/dbraw/zinc/14/68/17/761146817.db2.gz HBOLTWBQQAQWNO-BZNIZROVSA-N 1 2 355.829 3.070 20 30 FGEDLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1nc(C#N)cs1)C2 ZINC000933045783 761307912 /nfs/dbraw/zinc/30/79/12/761307912.db2.gz LSAGKIMNNRHENX-SFHVURJKSA-N 1 2 362.499 3.380 20 30 FGEDLO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000933045783 761307922 /nfs/dbraw/zinc/30/79/22/761307922.db2.gz LSAGKIMNNRHENX-SFHVURJKSA-N 1 2 362.499 3.380 20 30 FGEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(Cl)c(Cl)c1 ZINC000933650942 761445803 /nfs/dbraw/zinc/44/58/03/761445803.db2.gz YCYPJDLSLGOREK-UHFFFAOYSA-N 1 2 369.248 3.270 20 30 FGEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(C#N)cc2C2CC2)n1 ZINC000933860571 761485346 /nfs/dbraw/zinc/48/53/46/761485346.db2.gz PJDPSPCWGOTWFB-UHFFFAOYSA-N 1 2 355.467 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](C/C(Cl)=C\Cl)CC2 ZINC000992243929 764592315 /nfs/dbraw/zinc/59/23/15/764592315.db2.gz WYEOAIKAKLVOKK-GPJSJCOYSA-N 1 2 359.297 3.010 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C(Cl)=C\Cl)CC2 ZINC000992243929 764592323 /nfs/dbraw/zinc/59/23/23/764592323.db2.gz WYEOAIKAKLVOKK-GPJSJCOYSA-N 1 2 359.297 3.010 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000997753900 765082173 /nfs/dbraw/zinc/08/21/73/765082173.db2.gz FYYAYENJGGEDIH-ZBTZZKIISA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001171512 765270668 /nfs/dbraw/zinc/27/06/68/765270668.db2.gz MIHIUZLDTDAWEI-HZPDHXFCSA-N 1 2 355.320 3.326 20 30 FGEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001171512 765270672 /nfs/dbraw/zinc/27/06/72/765270672.db2.gz MIHIUZLDTDAWEI-HZPDHXFCSA-N 1 2 355.320 3.326 20 30 FGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001005414301 765469012 /nfs/dbraw/zinc/46/90/12/765469012.db2.gz DUMWWYDTYOJUIQ-HLLBOEOZSA-N 1 2 367.331 3.420 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001015726095 765800095 /nfs/dbraw/zinc/80/00/95/765800095.db2.gz JMUMUXFZXBZHCZ-XNJGSVPQSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001015726095 765800102 /nfs/dbraw/zinc/80/01/02/765800102.db2.gz JMUMUXFZXBZHCZ-XNJGSVPQSA-N 1 2 369.292 3.275 20 30 FGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031841890 766185942 /nfs/dbraw/zinc/18/59/42/766185942.db2.gz LRQQNVMMCCFOES-RTBURBONSA-N 1 2 358.913 3.422 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033497247 766221114 /nfs/dbraw/zinc/22/11/14/766221114.db2.gz SVFAHPREAQWPLZ-YCPHGPKFSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033497247 766221115 /nfs/dbraw/zinc/22/11/15/766221115.db2.gz SVFAHPREAQWPLZ-YCPHGPKFSA-N 1 2 361.313 3.209 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001039407573 766295704 /nfs/dbraw/zinc/29/57/04/766295704.db2.gz YAUHEJJEZPFSFJ-YVSFHVDLSA-N 1 2 367.331 3.397 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001039407573 766295705 /nfs/dbraw/zinc/29/57/05/766295705.db2.gz YAUHEJJEZPFSFJ-YVSFHVDLSA-N 1 2 367.331 3.397 20 30 FGEDLO C=CCOc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000056658037 132376207 /nfs/dbraw/zinc/37/62/07/132376207.db2.gz CYICAZIOOGMVEW-UHFFFAOYSA-N 1 2 352.438 3.437 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000567995288 505592764 /nfs/dbraw/zinc/59/27/64/505592764.db2.gz HAZYVDYFUKHZAS-HXUWFJFHSA-N 1 2 364.474 3.283 20 30 FGEDLO N#Cc1c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cn2ccccc12 ZINC000579808732 505626269 /nfs/dbraw/zinc/62/62/69/505626269.db2.gz GSYCRJCQIJUROX-QFIPXVFZSA-N 1 2 357.413 3.421 20 30 FGEDLO N#Cc1c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cn2ccccc12 ZINC000579808732 505626274 /nfs/dbraw/zinc/62/62/74/505626274.db2.gz GSYCRJCQIJUROX-QFIPXVFZSA-N 1 2 357.413 3.421 20 30 FGEDLO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000576977256 505637580 /nfs/dbraw/zinc/63/75/80/505637580.db2.gz CUTWEAWYUZDNTM-MRXNPFEDSA-N 1 2 357.479 3.037 20 30 FGEDLO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000576977256 505637584 /nfs/dbraw/zinc/63/75/84/505637584.db2.gz CUTWEAWYUZDNTM-MRXNPFEDSA-N 1 2 357.479 3.037 20 30 FGEDLO CN1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000075940487 493797966 /nfs/dbraw/zinc/79/79/66/493797966.db2.gz FIBZSJRTBKJMPQ-UHFFFAOYSA-N 1 2 354.841 3.102 20 30 FGEDLO CN1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000075940487 493797969 /nfs/dbraw/zinc/79/79/69/493797969.db2.gz FIBZSJRTBKJMPQ-UHFFFAOYSA-N 1 2 354.841 3.102 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000028762984 493800231 /nfs/dbraw/zinc/80/02/31/493800231.db2.gz NVNXDLOJLZQRKD-GFCCVEGCSA-N 1 2 373.507 3.120 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000048247164 493807202 /nfs/dbraw/zinc/80/72/02/493807202.db2.gz JYFHCIXJYZPMRW-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO N#CC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000057872772 493810586 /nfs/dbraw/zinc/81/05/86/493810586.db2.gz VRAORWBWPJESFP-UHFFFAOYSA-N 1 2 353.245 3.296 20 30 FGEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C#N)CC2)c1C#N ZINC000057879034 493811309 /nfs/dbraw/zinc/81/13/09/493811309.db2.gz DOOKQXCIHPVGTG-UHFFFAOYSA-N 1 2 361.449 3.140 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119694 493826677 /nfs/dbraw/zinc/82/66/77/493826677.db2.gz HSQKMLHNICPOAX-LEWJYISDSA-N 1 2 353.462 3.228 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119694 493826679 /nfs/dbraw/zinc/82/66/79/493826679.db2.gz HSQKMLHNICPOAX-LEWJYISDSA-N 1 2 353.462 3.228 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154397 493833063 /nfs/dbraw/zinc/83/30/63/493833063.db2.gz GNRUWOGSXZKBJJ-YADHBBJMSA-N 1 2 359.473 3.343 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000076154397 493833068 /nfs/dbraw/zinc/83/30/68/493833068.db2.gz GNRUWOGSXZKBJJ-YADHBBJMSA-N 1 2 359.473 3.343 20 30 FGEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000081129186 493837615 /nfs/dbraw/zinc/83/76/15/493837615.db2.gz IKBMOJLKWQMXCT-LEWJYISDSA-N 1 2 370.456 3.265 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000029444497 493839278 /nfs/dbraw/zinc/83/92/78/493839278.db2.gz VGFWEVBRFQXKQC-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC000029626562 493847873 /nfs/dbraw/zinc/84/78/73/493847873.db2.gz KADOVXLTQGTIJP-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000049982520 493890171 /nfs/dbraw/zinc/89/01/71/493890171.db2.gz MBJFSRRBPLXEGA-STQMWFEESA-N 1 2 352.276 3.108 20 30 FGEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000049982520 493890175 /nfs/dbraw/zinc/89/01/75/493890175.db2.gz MBJFSRRBPLXEGA-STQMWFEESA-N 1 2 352.276 3.108 20 30 FGEDLO C=CCOc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000030607414 493900489 /nfs/dbraw/zinc/90/04/89/493900489.db2.gz BEXOUNLYXKTVGR-UHFFFAOYSA-N 1 2 361.445 3.469 20 30 FGEDLO CCc1ccc(NC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000069072213 493916084 /nfs/dbraw/zinc/91/60/84/493916084.db2.gz DXSQCRFFZZIHND-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO CCc1ccc(NC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000069072213 493916087 /nfs/dbraw/zinc/91/60/87/493916087.db2.gz DXSQCRFFZZIHND-UHFFFAOYSA-N 1 2 351.450 3.208 20 30 FGEDLO Cc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCOCC2)c1 ZINC000031097109 493923708 /nfs/dbraw/zinc/92/37/08/493923708.db2.gz KXONJAKMKFUINN-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCC1 ZINC000032461597 493990958 /nfs/dbraw/zinc/99/09/58/493990958.db2.gz ZHPRMPMWTYGXIR-UHFFFAOYSA-N 1 2 365.399 3.434 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926597 494077141 /nfs/dbraw/zinc/07/71/41/494077141.db2.gz YNVZZTVSPJNXFQ-UHFFFAOYSA-N 1 2 362.437 3.171 20 30 FGEDLO CCN(Cc1ccccc1)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754146 494083611 /nfs/dbraw/zinc/08/36/11/494083611.db2.gz XQFSCHJORQFFSN-UHFFFAOYSA-N 1 2 365.477 3.055 20 30 FGEDLO CCN(Cc1ccccc1)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754146 494083617 /nfs/dbraw/zinc/08/36/17/494083617.db2.gz XQFSCHJORQFFSN-UHFFFAOYSA-N 1 2 365.477 3.055 20 30 FGEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000063754145 494084123 /nfs/dbraw/zinc/08/41/23/494084123.db2.gz DNXLKYGCEPZMIG-UHFFFAOYSA-N 1 2 357.498 3.188 20 30 FGEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000063754145 494084126 /nfs/dbraw/zinc/08/41/26/494084126.db2.gz DNXLKYGCEPZMIG-UHFFFAOYSA-N 1 2 357.498 3.188 20 30 FGEDLO Cc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccco2)s1 ZINC000053084529 494091331 /nfs/dbraw/zinc/09/13/31/494091331.db2.gz GXPHEZMDOKIZAV-IBGZPJMESA-N 1 2 357.479 3.460 20 30 FGEDLO Cc1ccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccco2)s1 ZINC000053084529 494091334 /nfs/dbraw/zinc/09/13/34/494091334.db2.gz GXPHEZMDOKIZAV-IBGZPJMESA-N 1 2 357.479 3.460 20 30 FGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072692965 494235040 /nfs/dbraw/zinc/23/50/40/494235040.db2.gz PPKITVGCMLWYKR-UHFFFAOYSA-N 1 2 351.516 3.089 20 30 FGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072692965 494235044 /nfs/dbraw/zinc/23/50/44/494235044.db2.gz PPKITVGCMLWYKR-UHFFFAOYSA-N 1 2 351.516 3.089 20 30 FGEDLO C=CCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000042926434 494252699 /nfs/dbraw/zinc/25/26/99/494252699.db2.gz NOJWHIJGWRZRLQ-UHFFFAOYSA-N 1 2 350.825 3.464 20 30 FGEDLO CN(C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000014110453 494304082 /nfs/dbraw/zinc/30/40/82/494304082.db2.gz BDCFKHBCFJFUJK-UHFFFAOYSA-N 1 2 367.493 3.266 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000014192197 494309877 /nfs/dbraw/zinc/30/98/77/494309877.db2.gz BVMYISIHSUHUJI-UHFFFAOYSA-N 1 2 371.510 3.001 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C ZINC000014192197 494309880 /nfs/dbraw/zinc/30/98/80/494309880.db2.gz BVMYISIHSUHUJI-UHFFFAOYSA-N 1 2 371.510 3.001 20 30 FGEDLO C=C(C)CN(CC)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000015088314 494337718 /nfs/dbraw/zinc/33/77/18/494337718.db2.gz OADSQIYQIYZOET-UHFFFAOYSA-N 1 2 367.478 3.332 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000016585055 494395986 /nfs/dbraw/zinc/39/59/86/494395986.db2.gz VWVOPCLWIDYRAC-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000016585055 494395993 /nfs/dbraw/zinc/39/59/93/494395993.db2.gz VWVOPCLWIDYRAC-UHFFFAOYSA-N 1 2 357.841 3.299 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850895 494425037 /nfs/dbraw/zinc/42/50/37/494425037.db2.gz HUCRHAZSEIZSDT-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066850895 494425040 /nfs/dbraw/zinc/42/50/40/494425040.db2.gz HUCRHAZSEIZSDT-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000046085699 494493310 /nfs/dbraw/zinc/49/33/10/494493310.db2.gz BXAMGKGFLIOVSQ-UHFFFAOYSA-N 1 2 373.460 3.244 20 30 FGEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000046085699 494493314 /nfs/dbraw/zinc/49/33/14/494493314.db2.gz BXAMGKGFLIOVSQ-UHFFFAOYSA-N 1 2 373.460 3.244 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056597880 494532788 /nfs/dbraw/zinc/53/27/88/494532788.db2.gz LRBWCFMQIBVEFM-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361471 494605427 /nfs/dbraw/zinc/60/54/27/494605427.db2.gz NDVTTXJKQZQGBH-GOSISDBHSA-N 1 2 351.512 3.431 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361471 494605432 /nfs/dbraw/zinc/60/54/32/494605432.db2.gz NDVTTXJKQZQGBH-GOSISDBHSA-N 1 2 351.512 3.431 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000115751818 494610649 /nfs/dbraw/zinc/61/06/49/494610649.db2.gz SKFFUWZBRBJHQF-QGZVFWFLSA-N 1 2 358.392 3.455 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000571469391 505740349 /nfs/dbraw/zinc/74/03/49/505740349.db2.gz RUFPLYXFGINPMQ-GOSISDBHSA-N 1 2 352.413 3.205 20 30 FGEDLO C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000109204884 494845599 /nfs/dbraw/zinc/84/55/99/494845599.db2.gz CJFZYMFOZYYXJP-KRWDZBQOSA-N 1 2 365.452 3.220 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000132409673 494869534 /nfs/dbraw/zinc/86/95/34/494869534.db2.gz BCMJTNMVOUNUBD-OAHLLOKOSA-N 1 2 370.428 3.058 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OCC)Cc1ccccc1 ZINC000027775366 494885042 /nfs/dbraw/zinc/88/50/42/494885042.db2.gz RTZJLNRILHIRRQ-UHFFFAOYSA-N 1 2 352.434 3.490 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OCC)Cc1ccccc1 ZINC000027775366 494885045 /nfs/dbraw/zinc/88/50/45/494885045.db2.gz RTZJLNRILHIRRQ-UHFFFAOYSA-N 1 2 352.434 3.490 20 30 FGEDLO CCO[C@H](C)c1nc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)cs1 ZINC000093737334 494916705 /nfs/dbraw/zinc/91/67/05/494916705.db2.gz IGGVOGQZKNTNAG-CYBMUJFWSA-N 1 2 355.467 3.392 20 30 FGEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000109813828 494921303 /nfs/dbraw/zinc/92/13/03/494921303.db2.gz FKIYDJRJCHHYOS-OAHLLOKOSA-N 1 2 361.486 3.143 20 30 FGEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000109813828 494921306 /nfs/dbraw/zinc/92/13/06/494921306.db2.gz FKIYDJRJCHHYOS-OAHLLOKOSA-N 1 2 361.486 3.143 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C#N)ccc1OC ZINC000127574351 494963900 /nfs/dbraw/zinc/96/39/00/494963900.db2.gz CZAARGBSECNARM-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(C#N)ccc1OC ZINC000127574351 494963903 /nfs/dbraw/zinc/96/39/03/494963903.db2.gz CZAARGBSECNARM-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133114012 494971160 /nfs/dbraw/zinc/97/11/60/494971160.db2.gz NHFODVCZXXPTNY-CVEARBPZSA-N 1 2 363.889 3.191 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133114012 494971163 /nfs/dbraw/zinc/97/11/63/494971163.db2.gz NHFODVCZXXPTNY-CVEARBPZSA-N 1 2 363.889 3.191 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000133279820 494993538 /nfs/dbraw/zinc/99/35/38/494993538.db2.gz IEISCDHZVVCEFI-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000122946032 495057455 /nfs/dbraw/zinc/05/74/55/495057455.db2.gz AJPUJAODBWNNNO-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000128503923 495107552 /nfs/dbraw/zinc/10/75/52/495107552.db2.gz RFROMXMODSZACD-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000128503923 495107555 /nfs/dbraw/zinc/10/75/55/495107555.db2.gz RFROMXMODSZACD-UHFFFAOYSA-N 1 2 358.438 3.136 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(-c4n[nH]c(C5CC5)n4)c3)n2c1 ZINC000119390579 495157223 /nfs/dbraw/zinc/15/72/23/495157223.db2.gz SJPKWZNECDDVLI-UHFFFAOYSA-N 1 2 355.405 3.481 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103142315 495198499 /nfs/dbraw/zinc/19/84/99/495198499.db2.gz DBPQQFCXDRAKCA-SFHVURJKSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103142315 495198500 /nfs/dbraw/zinc/19/85/00/495198500.db2.gz DBPQQFCXDRAKCA-SFHVURJKSA-N 1 2 356.376 3.232 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000129222685 495213348 /nfs/dbraw/zinc/21/33/48/495213348.db2.gz CVAQIQKFUKCNQA-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000129222685 495213352 /nfs/dbraw/zinc/21/33/52/495213352.db2.gz CVAQIQKFUKCNQA-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000135194100 495261055 /nfs/dbraw/zinc/26/10/55/495261055.db2.gz ASTUCSVSAROSQI-OAHLLOKOSA-N 1 2 356.813 3.181 20 30 FGEDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000135194100 495261058 /nfs/dbraw/zinc/26/10/58/495261058.db2.gz ASTUCSVSAROSQI-OAHLLOKOSA-N 1 2 356.813 3.181 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000104675092 495297032 /nfs/dbraw/zinc/29/70/32/495297032.db2.gz GAYVUDBSAKODPP-NRFANRHFSA-N 1 2 365.477 3.381 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000104714832 495300598 /nfs/dbraw/zinc/30/05/98/495300598.db2.gz CPPVGRWHNLFBAR-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000114257553 495357084 /nfs/dbraw/zinc/35/70/84/495357084.db2.gz UTOTWDVJLGDSLD-UHFFFAOYSA-N 1 2 371.444 3.015 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130504486 495402396 /nfs/dbraw/zinc/40/23/96/495402396.db2.gz PJRAWMCCKWAJIK-MRXNPFEDSA-N 1 2 357.845 3.327 20 30 FGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130504486 495402398 /nfs/dbraw/zinc/40/23/98/495402398.db2.gz PJRAWMCCKWAJIK-MRXNPFEDSA-N 1 2 357.845 3.327 20 30 FGEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000120606383 495415591 /nfs/dbraw/zinc/41/55/91/495415591.db2.gz SHXIZPQHJRXDGI-UHFFFAOYSA-N 1 2 355.482 3.181 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1F ZINC000130731751 495436730 /nfs/dbraw/zinc/43/67/30/495436730.db2.gz MFRJSXQJPRTXEY-UHFFFAOYSA-N 1 2 362.470 3.264 20 30 FGEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1F ZINC000130731751 495436734 /nfs/dbraw/zinc/43/67/34/495436734.db2.gz MFRJSXQJPRTXEY-UHFFFAOYSA-N 1 2 362.470 3.264 20 30 FGEDLO COc1cccc([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000138464251 495462377 /nfs/dbraw/zinc/46/23/77/495462377.db2.gz NLFYXGRUMYBPBD-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000130910846 495465186 /nfs/dbraw/zinc/46/51/86/495465186.db2.gz KPUMXWUFXWTJQL-PBHICJAKSA-N 1 2 356.401 3.149 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330006 495583165 /nfs/dbraw/zinc/58/31/65/495583165.db2.gz VZEMTOGPZBXZKW-ZWKOTPCHSA-N 1 2 361.898 3.435 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NCc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330006 495583168 /nfs/dbraw/zinc/58/31/68/495583168.db2.gz VZEMTOGPZBXZKW-ZWKOTPCHSA-N 1 2 361.898 3.435 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000182675035 495659488 /nfs/dbraw/zinc/65/94/88/495659488.db2.gz MGAFOODKCJMMMV-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000182675035 495659492 /nfs/dbraw/zinc/65/94/92/495659492.db2.gz MGAFOODKCJMMMV-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000154948110 495781622 /nfs/dbraw/zinc/78/16/22/495781622.db2.gz VIBULYKZAHKDLY-UHFFFAOYSA-N 1 2 374.444 3.496 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)nc1 ZINC000179987069 495811195 /nfs/dbraw/zinc/81/11/95/495811195.db2.gz DVFNCOLJUUXNHP-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000180067032 495843119 /nfs/dbraw/zinc/84/31/19/495843119.db2.gz VSBOUOUVAMMZKC-VYDXJSESSA-N 1 2 353.426 3.289 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3nccs3)C2)C1=O ZINC000177032425 495892183 /nfs/dbraw/zinc/89/21/83/495892183.db2.gz URVIQQMPWQQMSE-UONOGXRCSA-N 1 2 358.492 3.061 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nccs3)C2)C1=O ZINC000177032425 495892189 /nfs/dbraw/zinc/89/21/89/495892189.db2.gz URVIQQMPWQQMSE-UONOGXRCSA-N 1 2 358.492 3.061 20 30 FGEDLO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000174313846 495905472 /nfs/dbraw/zinc/90/54/72/495905472.db2.gz NUJOQARGWSBOHC-UHFFFAOYSA-N 1 2 373.678 3.188 20 30 FGEDLO Cc1ccc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)o1 ZINC000180246420 495923824 /nfs/dbraw/zinc/92/38/24/495923824.db2.gz JAKQBXOXMKHTLK-FQEVSTJZSA-N 1 2 362.433 3.434 20 30 FGEDLO Cc1ccc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)o1 ZINC000180246420 495923831 /nfs/dbraw/zinc/92/38/31/495923831.db2.gz JAKQBXOXMKHTLK-FQEVSTJZSA-N 1 2 362.433 3.434 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000171616129 495949150 /nfs/dbraw/zinc/94/91/50/495949150.db2.gz COTZFUXCNLNOLG-NRFANRHFSA-N 1 2 356.429 3.203 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000171616129 495949158 /nfs/dbraw/zinc/94/91/58/495949158.db2.gz COTZFUXCNLNOLG-NRFANRHFSA-N 1 2 356.429 3.203 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155723787 496047819 /nfs/dbraw/zinc/04/78/19/496047819.db2.gz JWPBPNAIZAZADM-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155723787 496047824 /nfs/dbraw/zinc/04/78/24/496047824.db2.gz JWPBPNAIZAZADM-UHFFFAOYSA-N 1 2 350.378 3.070 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000172118317 496173152 /nfs/dbraw/zinc/17/31/52/496173152.db2.gz RBGWZCFUYJSAAF-UHFFFAOYSA-N 1 2 371.268 3.073 20 30 FGEDLO O=C(Cc1cn2ccccc2[nH+]1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175005744 496203747 /nfs/dbraw/zinc/20/37/47/496203747.db2.gz DFKQKJUTZOWGRI-UHFFFAOYSA-N 1 2 357.335 3.064 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926344 496254288 /nfs/dbraw/zinc/25/42/88/496254288.db2.gz LJJHLKSJJHIWRK-UHFFFAOYSA-N 1 2 369.494 3.310 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926344 496254289 /nfs/dbraw/zinc/25/42/89/496254289.db2.gz LJJHLKSJJHIWRK-UHFFFAOYSA-N 1 2 369.494 3.310 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccco1 ZINC000184178109 496274073 /nfs/dbraw/zinc/27/40/73/496274073.db2.gz ICRSPVKXYMGQOH-IRXDYDNUSA-N 1 2 361.486 3.314 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000156676720 496309161 /nfs/dbraw/zinc/30/91/61/496309161.db2.gz BTRBIONKWXCCLQ-INIZCTEOSA-N 1 2 367.474 3.287 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000156676720 496309164 /nfs/dbraw/zinc/30/91/64/496309164.db2.gz BTRBIONKWXCCLQ-INIZCTEOSA-N 1 2 367.474 3.287 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000156686600 496311246 /nfs/dbraw/zinc/31/12/46/496311246.db2.gz CLZSIQGVQWJJDQ-UHFFFAOYSA-N 1 2 367.474 3.114 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000156686600 496311251 /nfs/dbraw/zinc/31/12/51/496311251.db2.gz CLZSIQGVQWJJDQ-UHFFFAOYSA-N 1 2 367.474 3.114 20 30 FGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156718383 496318384 /nfs/dbraw/zinc/31/83/84/496318384.db2.gz OOTQHLPCTCILFN-IBGZPJMESA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156718383 496318387 /nfs/dbraw/zinc/31/83/87/496318387.db2.gz OOTQHLPCTCILFN-IBGZPJMESA-N 1 2 370.474 3.178 20 30 FGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1-c1nnnn1C1CC1 ZINC000184342261 496342912 /nfs/dbraw/zinc/34/29/12/496342912.db2.gz IZWVAMANELABNM-UHFFFAOYSA-N 1 2 370.420 3.115 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187247305 496359545 /nfs/dbraw/zinc/35/95/45/496359545.db2.gz CTGCHCNBTUFABO-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187247305 496359552 /nfs/dbraw/zinc/35/95/52/496359552.db2.gz CTGCHCNBTUFABO-LJQANCHMSA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000187250757 496360424 /nfs/dbraw/zinc/36/04/24/496360424.db2.gz SEMNISRCQBQVJK-UHFFFAOYSA-N 1 2 361.445 3.061 20 30 FGEDLO CSCC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1nnc2ccccn21 ZINC000184603933 496460960 /nfs/dbraw/zinc/46/09/60/496460960.db2.gz UNIJKTFNDRPMPC-MRXNPFEDSA-N 1 2 355.442 3.324 20 30 FGEDLO C=CCN(CC=C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000175843298 496569134 /nfs/dbraw/zinc/56/91/34/496569134.db2.gz JCUMZCDGWWWAPE-UHFFFAOYSA-N 1 2 351.450 3.357 20 30 FGEDLO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000178781800 496569312 /nfs/dbraw/zinc/56/93/12/496569312.db2.gz COFPZXAXNRAETI-MRXNPFEDSA-N 1 2 355.442 3.324 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000157899475 496581126 /nfs/dbraw/zinc/58/11/26/496581126.db2.gz DMLNZPJCZRHCAK-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000157899475 496581128 /nfs/dbraw/zinc/58/11/28/496581128.db2.gz DMLNZPJCZRHCAK-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185086978 496654257 /nfs/dbraw/zinc/65/42/57/496654257.db2.gz NMEIZIHHLBTDOC-KSSFIOAISA-N 1 2 357.454 3.245 20 30 FGEDLO C#CCOc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000188092091 496679942 /nfs/dbraw/zinc/67/99/42/496679942.db2.gz XEVVNCREVYKYIE-UHFFFAOYSA-N 1 2 350.422 3.016 20 30 FGEDLO C[C@@H]([NH2+][C@H](C)c1nc(C2CCCCC2)no1)C(=O)NC1(C#N)CCCCC1 ZINC000185240188 496714643 /nfs/dbraw/zinc/71/46/43/496714643.db2.gz KIMCAJOZEHJPOL-HUUCEWRRSA-N 1 2 373.501 3.499 20 30 FGEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000264075986 496806660 /nfs/dbraw/zinc/80/66/60/496806660.db2.gz CLJVEMWBPFZNNK-UHFFFAOYSA-N 1 2 374.444 3.028 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191662411 496849075 /nfs/dbraw/zinc/84/90/75/496849075.db2.gz KIJWMTGXQPMVTO-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000191742013 496874633 /nfs/dbraw/zinc/87/46/33/496874633.db2.gz AESQQAFWLKXJCA-IBGZPJMESA-N 1 2 356.495 3.393 20 30 FGEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000191742013 496874639 /nfs/dbraw/zinc/87/46/39/496874639.db2.gz AESQQAFWLKXJCA-IBGZPJMESA-N 1 2 356.495 3.393 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000273714784 496882608 /nfs/dbraw/zinc/88/26/08/496882608.db2.gz QTUAKISOHWZGEF-KBPBESRZSA-N 1 2 357.483 3.141 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346109 496897788 /nfs/dbraw/zinc/89/77/88/496897788.db2.gz HDHSGTZLNRVBIO-ZDUSSCGKSA-N 1 2 360.870 3.486 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195346109 496897791 /nfs/dbraw/zinc/89/77/91/496897791.db2.gz HDHSGTZLNRVBIO-ZDUSSCGKSA-N 1 2 360.870 3.486 20 30 FGEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1Oc1cc[nH+]cc1 ZINC000195349174 496897882 /nfs/dbraw/zinc/89/78/82/496897882.db2.gz GIQLAEOTELXHRL-UHFFFAOYSA-N 1 2 366.402 3.250 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000191816474 496899372 /nfs/dbraw/zinc/89/93/72/496899372.db2.gz LKBQIPRJIKJAJB-OIISXLGYSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000191816474 496899381 /nfs/dbraw/zinc/89/93/81/496899381.db2.gz LKBQIPRJIKJAJB-OIISXLGYSA-N 1 2 365.271 3.089 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)on1 ZINC000264532787 496921663 /nfs/dbraw/zinc/92/16/63/496921663.db2.gz MCKLVOQGFYGYRR-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO CC[N@H+](CCCNC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000578153608 505873901 /nfs/dbraw/zinc/87/39/01/505873901.db2.gz IBGSKUHWEOQCBJ-UHFFFAOYSA-N 1 2 350.466 3.317 20 30 FGEDLO CC[N@@H+](CCCNC(=O)NCCc1cccc(C#N)c1)c1ccccc1 ZINC000578153608 505873904 /nfs/dbraw/zinc/87/39/04/505873904.db2.gz IBGSKUHWEOQCBJ-UHFFFAOYSA-N 1 2 350.466 3.317 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191927373 496933688 /nfs/dbraw/zinc/93/36/88/496933688.db2.gz FBTXDHOJZMQOFV-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191927373 496933695 /nfs/dbraw/zinc/93/36/95/496933695.db2.gz FBTXDHOJZMQOFV-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@@H](C)C#N ZINC000195652011 496957884 /nfs/dbraw/zinc/95/78/84/496957884.db2.gz XKEJFICURDWHPZ-KKSFZXQISA-N 1 2 373.497 3.143 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@@H](C)C#N ZINC000195652011 496957887 /nfs/dbraw/zinc/95/78/87/496957887.db2.gz XKEJFICURDWHPZ-KKSFZXQISA-N 1 2 373.497 3.143 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000264821445 496991938 /nfs/dbraw/zinc/99/19/38/496991938.db2.gz XWTXZWAGDQFJJM-UHFFFAOYSA-N 1 2 367.449 3.045 20 30 FGEDLO Cc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc(C2CC2)[nH+]1 ZINC000265300730 497093081 /nfs/dbraw/zinc/09/30/81/497093081.db2.gz CZHPDLLEWRWROI-UHFFFAOYSA-N 1 2 361.449 3.389 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189513037 497144775 /nfs/dbraw/zinc/14/47/75/497144775.db2.gz IIAHWOCYFHTEKJ-CQSZACIVSA-N 1 2 362.417 3.148 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189513037 497144778 /nfs/dbraw/zinc/14/47/78/497144778.db2.gz IIAHWOCYFHTEKJ-CQSZACIVSA-N 1 2 362.417 3.148 20 30 FGEDLO CC1CCN(c2cccc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)c2)CC1 ZINC000274784950 497165409 /nfs/dbraw/zinc/16/54/09/497165409.db2.gz ARAOQVPSKVZZDG-UHFFFAOYSA-N 1 2 369.513 3.375 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2nccn2C)c1 ZINC000192642212 497173431 /nfs/dbraw/zinc/17/34/31/497173431.db2.gz TXYFBONGJPXJLD-GMBSWORKSA-N 1 2 354.454 3.199 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000192709142 497191173 /nfs/dbraw/zinc/19/11/73/497191173.db2.gz KHNDWMWUIQZNDY-UHFFFAOYSA-N 1 2 366.446 3.435 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)s1 ZINC000189733428 497226141 /nfs/dbraw/zinc/22/61/41/497226141.db2.gz OQYWNZAQZNVNSK-UHFFFAOYSA-N 1 2 357.454 3.279 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000249762276 497244005 /nfs/dbraw/zinc/24/40/05/497244005.db2.gz MBJFSRRBPLXEGA-QWHCGFSZSA-N 1 2 352.276 3.108 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000249762276 497244010 /nfs/dbraw/zinc/24/40/10/497244010.db2.gz MBJFSRRBPLXEGA-QWHCGFSZSA-N 1 2 352.276 3.108 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271104622 497264899 /nfs/dbraw/zinc/26/48/99/497264899.db2.gz UOVDAFVFLLYJFD-SFHVURJKSA-N 1 2 372.469 3.328 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)[nH]n1 ZINC000271659109 497412015 /nfs/dbraw/zinc/41/20/15/497412015.db2.gz XIMBRAXYQXDTFV-UHFFFAOYSA-N 1 2 357.483 3.086 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)n[nH]1 ZINC000271659109 497412019 /nfs/dbraw/zinc/41/20/19/497412019.db2.gz XIMBRAXYQXDTFV-UHFFFAOYSA-N 1 2 357.483 3.086 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245709079 497510737 /nfs/dbraw/zinc/51/07/37/497510737.db2.gz YKZHHAINUJQPLL-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245709079 497510740 /nfs/dbraw/zinc/51/07/40/497510740.db2.gz YKZHHAINUJQPLL-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705999 497515352 /nfs/dbraw/zinc/51/53/52/497515352.db2.gz HMGSASNSKNZIAV-PBFPGSCMSA-N 1 2 365.271 3.089 20 30 FGEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O2 ZINC000279705999 497515357 /nfs/dbraw/zinc/51/53/57/497515357.db2.gz HMGSASNSKNZIAV-PBFPGSCMSA-N 1 2 365.271 3.089 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000272514601 497649675 /nfs/dbraw/zinc/64/96/75/497649675.db2.gz JCXLBBSJHCYJRB-SJORKVTESA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000272514601 497649680 /nfs/dbraw/zinc/64/96/80/497649680.db2.gz JCXLBBSJHCYJRB-SJORKVTESA-N 1 2 362.424 3.045 20 30 FGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272641645 497688217 /nfs/dbraw/zinc/68/82/17/497688217.db2.gz XRAAEPUJDARZKN-UHFFFAOYSA-N 1 2 369.368 3.373 20 30 FGEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671497 497697834 /nfs/dbraw/zinc/69/78/34/497697834.db2.gz QHRRBBQBXDRBPX-ROUUACIJSA-N 1 2 357.454 3.167 20 30 FGEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)OCC ZINC000272671497 497697837 /nfs/dbraw/zinc/69/78/37/497697837.db2.gz QHRRBBQBXDRBPX-ROUUACIJSA-N 1 2 357.454 3.167 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280283205 497706993 /nfs/dbraw/zinc/70/69/93/497706993.db2.gz WOQOEEVPBOBBRI-KRWDZBQOSA-N 1 2 362.477 3.402 20 30 FGEDLO CC(C)N(C)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000191150388 497725265 /nfs/dbraw/zinc/72/52/65/497725265.db2.gz YQTYYNNCSGOQBB-NRFANRHFSA-N 1 2 363.509 3.309 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246599515 497786089 /nfs/dbraw/zinc/78/60/89/497786089.db2.gz MNANVMBYWQDBQN-AZUAARDMSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000246599515 497786092 /nfs/dbraw/zinc/78/60/92/497786092.db2.gz MNANVMBYWQDBQN-AZUAARDMSA-N 1 2 359.491 3.290 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246935711 497821116 /nfs/dbraw/zinc/82/11/16/497821116.db2.gz AJBGIEMNZAOJJW-QFBILLFUSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246935711 497821117 /nfs/dbraw/zinc/82/11/17/497821117.db2.gz AJBGIEMNZAOJJW-QFBILLFUSA-N 1 2 352.434 3.408 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@H]1CCCCC12CCCC2 ZINC000329618615 497847204 /nfs/dbraw/zinc/84/72/04/497847204.db2.gz LYCVVZFDQZCWAM-SFHVURJKSA-N 1 2 372.513 3.425 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329677210 497866034 /nfs/dbraw/zinc/86/60/34/497866034.db2.gz WOXSIFIJBYUPGF-SJORKVTESA-N 1 2 374.481 3.412 20 30 FGEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329677210 497866039 /nfs/dbraw/zinc/86/60/39/497866039.db2.gz WOXSIFIJBYUPGF-SJORKVTESA-N 1 2 374.481 3.412 20 30 FGEDLO CCc1csc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)n1 ZINC000329729490 497883143 /nfs/dbraw/zinc/88/31/43/497883143.db2.gz HPSMBSGORKYKRK-OCCSQVGLSA-N 1 2 359.499 3.080 20 30 FGEDLO CCc1csc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000329729490 497883144 /nfs/dbraw/zinc/88/31/44/497883144.db2.gz HPSMBSGORKYKRK-OCCSQVGLSA-N 1 2 359.499 3.080 20 30 FGEDLO CCc1nc2c(s1)[C@H](N(C)C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000329749242 497887831 /nfs/dbraw/zinc/88/78/31/497887831.db2.gz UCFGUDXDFPSOKL-IAQYHMDHSA-N 1 2 359.499 3.209 20 30 FGEDLO CCc1nc2c(s1)[C@H](N(C)C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000329749242 497887839 /nfs/dbraw/zinc/88/78/39/497887839.db2.gz UCFGUDXDFPSOKL-IAQYHMDHSA-N 1 2 359.499 3.209 20 30 FGEDLO CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1C ZINC000581248551 505943305 /nfs/dbraw/zinc/94/33/05/505943305.db2.gz FYTQPMDZFQMCLW-UHFFFAOYSA-N 1 2 363.483 3.188 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C ZINC000329798592 497906058 /nfs/dbraw/zinc/90/60/58/497906058.db2.gz XODSPOSVWYYKTI-CTNGQTDRSA-N 1 2 369.509 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C ZINC000329798592 497906062 /nfs/dbraw/zinc/90/60/62/497906062.db2.gz XODSPOSVWYYKTI-CTNGQTDRSA-N 1 2 369.509 3.440 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329810718 497909553 /nfs/dbraw/zinc/90/95/53/497909553.db2.gz CMINMZBSVFLFEQ-MNEFBYGVSA-N 1 2 373.472 3.350 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329810718 497909558 /nfs/dbraw/zinc/90/95/58/497909558.db2.gz CMINMZBSVFLFEQ-MNEFBYGVSA-N 1 2 373.472 3.350 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@@H](c1cccs1)[NH+]1CCOCC1)CCCC2 ZINC000301073071 497939707 /nfs/dbraw/zinc/93/97/07/497939707.db2.gz GNIACJAIWNWDRF-SFHVURJKSA-N 1 2 368.506 3.379 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000569512831 505952481 /nfs/dbraw/zinc/95/24/81/505952481.db2.gz BMOZJKIFQFTWJF-KRWDZBQOSA-N 1 2 350.809 3.465 20 30 FGEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC(OC2CCCCC2)CC1 ZINC000329905692 497948201 /nfs/dbraw/zinc/94/82/01/497948201.db2.gz RRZCDNVDFXBHKL-MRXNPFEDSA-N 1 2 360.502 3.173 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000329960564 497970801 /nfs/dbraw/zinc/97/08/01/497970801.db2.gz NZHLGSOIUXSOHT-YTQUADARSA-N 1 2 371.481 3.367 20 30 FGEDLO Cc1c2ccccc2oc1[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000329960564 497970808 /nfs/dbraw/zinc/97/08/08/497970808.db2.gz NZHLGSOIUXSOHT-YTQUADARSA-N 1 2 371.481 3.367 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519647 497998296 /nfs/dbraw/zinc/99/82/96/497998296.db2.gz CLVPXVAFUARANI-HIFRSBDPSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519647 497998302 /nfs/dbraw/zinc/99/83/02/497998302.db2.gz CLVPXVAFUARANI-HIFRSBDPSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519647 497998306 /nfs/dbraw/zinc/99/83/06/497998306.db2.gz CLVPXVAFUARANI-HIFRSBDPSA-N 1 2 355.442 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 ZINC000364519647 497998312 /nfs/dbraw/zinc/99/83/12/497998312.db2.gz CLVPXVAFUARANI-HIFRSBDPSA-N 1 2 355.442 3.006 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578537768 505963268 /nfs/dbraw/zinc/96/32/68/505963268.db2.gz JBJPVLQTZAYRID-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578537768 505963271 /nfs/dbraw/zinc/96/32/71/505963271.db2.gz JBJPVLQTZAYRID-CQSZACIVSA-N 1 2 354.385 3.316 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098056 498019623 /nfs/dbraw/zinc/01/96/23/498019623.db2.gz BJYMFYWJFKQBQZ-FTRWYGJKSA-N 1 2 362.470 3.332 20 30 FGEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098056 498019629 /nfs/dbraw/zinc/01/96/29/498019629.db2.gz BJYMFYWJFKQBQZ-FTRWYGJKSA-N 1 2 362.470 3.332 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@]2(CCCOC2)O1 ZINC000330130266 498032678 /nfs/dbraw/zinc/03/26/78/498032678.db2.gz OVDMDYIEWFORNX-XNEUDSRLSA-N 1 2 362.514 3.182 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@]2(CCCOC2)O1 ZINC000330130266 498032683 /nfs/dbraw/zinc/03/26/83/498032683.db2.gz OVDMDYIEWFORNX-XNEUDSRLSA-N 1 2 362.514 3.182 20 30 FGEDLO O=C(N[C@H]1CCCc2c[nH]nc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000330152078 498042534 /nfs/dbraw/zinc/04/25/34/498042534.db2.gz WNPBYUNUJFGTKW-KRWDZBQOSA-N 1 2 373.888 3.172 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@@]2(CCOC2)O1 ZINC000330156069 498044030 /nfs/dbraw/zinc/04/40/30/498044030.db2.gz OMEJCEITJOBFHT-GCKMJXCFSA-N 1 2 369.465 3.481 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@@]2(CCOC2)O1 ZINC000330156069 498044035 /nfs/dbraw/zinc/04/40/35/498044035.db2.gz OMEJCEITJOBFHT-GCKMJXCFSA-N 1 2 369.465 3.481 20 30 FGEDLO [O-]C(N[C@H]1CCCc2sc(Cl)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330210595 498063027 /nfs/dbraw/zinc/06/30/27/498063027.db2.gz ILGYKPSEXNSKSV-PWSUYJOCSA-N 1 2 350.875 3.494 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000330268808 498086532 /nfs/dbraw/zinc/08/65/32/498086532.db2.gz IWGXMBZRPUSTOJ-LLGFUMIMSA-N 1 2 374.481 3.365 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000330268808 498086540 /nfs/dbraw/zinc/08/65/40/498086540.db2.gz IWGXMBZRPUSTOJ-LLGFUMIMSA-N 1 2 374.481 3.365 20 30 FGEDLO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330318074 498102598 /nfs/dbraw/zinc/10/25/98/498102598.db2.gz CBXKFQXVHKDTIX-VQIMIIECSA-N 1 2 373.501 3.309 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(C)cc3cccnc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000330324197 498105893 /nfs/dbraw/zinc/10/58/93/498105893.db2.gz IGQCIWQJDXAQKL-KRWDZBQOSA-N 1 2 364.453 3.191 20 30 FGEDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330330975 498107465 /nfs/dbraw/zinc/10/74/65/498107465.db2.gz NSFXHBXSMJWUFL-OYYCAODRSA-N 1 2 354.454 3.077 20 30 FGEDLO CCN1CCN(C(=O)NC[C@H](C)c2ccc(C)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330330783 498107896 /nfs/dbraw/zinc/10/78/96/498107896.db2.gz NOLFFQHGUWQKOO-WMZOPIPTSA-N 1 2 355.486 3.114 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330335094 498108720 /nfs/dbraw/zinc/10/87/20/498108720.db2.gz RFDBZWJBBAWSBG-RTBURBONSA-N 1 2 367.497 3.462 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330345283 498113045 /nfs/dbraw/zinc/11/30/45/498113045.db2.gz DZQFONDCVMJQAU-CQSZACIVSA-N 1 2 367.375 3.353 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281393023 498134575 /nfs/dbraw/zinc/13/45/75/498134575.db2.gz IGYIQPVQKOIDNU-MRXNPFEDSA-N 1 2 366.465 3.296 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1F ZINC000330520939 498147523 /nfs/dbraw/zinc/14/75/23/498147523.db2.gz HLZOCZDCACNUCU-UHFFFAOYSA-N 1 2 361.820 3.363 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1F ZINC000330520939 498147527 /nfs/dbraw/zinc/14/75/27/498147527.db2.gz HLZOCZDCACNUCU-UHFFFAOYSA-N 1 2 361.820 3.363 20 30 FGEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CCC(C)(C)C#N)ccc2n1C1CC1 ZINC000581456876 505992027 /nfs/dbraw/zinc/99/20/27/505992027.db2.gz XHGSXEOHNSXLGA-UHFFFAOYSA-N 1 2 374.510 3.293 20 30 FGEDLO CSC[C@](C)(O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330781177 498193117 /nfs/dbraw/zinc/19/31/17/498193117.db2.gz OGVYMIMOWYTVRZ-KBXCAEBGSA-N 1 2 366.531 3.209 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000360403163 498271466 /nfs/dbraw/zinc/27/14/66/498271466.db2.gz WYEDTYLUCUJMDV-RTBURBONSA-N 1 2 357.417 3.179 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000281865046 498297458 /nfs/dbraw/zinc/29/74/58/498297458.db2.gz RBMUCQKPSRPTNY-YJBOKZPZSA-N 1 2 352.438 3.296 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000365244818 498370591 /nfs/dbraw/zinc/37/05/91/498370591.db2.gz UHGWHWVWNKZZNY-WYRIXSBYSA-N 1 2 371.799 3.030 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000365244818 498370598 /nfs/dbraw/zinc/37/05/98/498370598.db2.gz UHGWHWVWNKZZNY-WYRIXSBYSA-N 1 2 371.799 3.030 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289968062 498374850 /nfs/dbraw/zinc/37/48/50/498374850.db2.gz WYOHDBURDKMVLE-GJZGRUSLSA-N 1 2 365.424 3.307 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289968062 498374851 /nfs/dbraw/zinc/37/48/51/498374851.db2.gz WYOHDBURDKMVLE-GJZGRUSLSA-N 1 2 365.424 3.307 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(CCC#N)CC1)c1ccccc1F ZINC000572634694 506016741 /nfs/dbraw/zinc/01/67/41/506016741.db2.gz FSZIRWHXDMGRGU-SFHVURJKSA-N 1 2 369.444 3.374 20 30 FGEDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000581698742 506046853 /nfs/dbraw/zinc/04/68/53/506046853.db2.gz ULXVEBHHJQZWGP-HNNXBMFYSA-N 1 2 369.494 3.357 20 30 FGEDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000581698742 506046854 /nfs/dbraw/zinc/04/68/54/506046854.db2.gz ULXVEBHHJQZWGP-HNNXBMFYSA-N 1 2 369.494 3.357 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365840879 498666227 /nfs/dbraw/zinc/66/62/27/498666227.db2.gz OAMCVUBPTJPQNZ-HZPDHXFCSA-N 1 2 369.494 3.020 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365840879 498666238 /nfs/dbraw/zinc/66/62/38/498666238.db2.gz OAMCVUBPTJPQNZ-HZPDHXFCSA-N 1 2 369.494 3.020 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000294410144 498685512 /nfs/dbraw/zinc/68/55/12/498685512.db2.gz AMOQLNUAJHCTOQ-HRAATJIYSA-N 1 2 353.466 3.492 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290911399 498719835 /nfs/dbraw/zinc/71/98/35/498719835.db2.gz PGEPZUJZLGCZGI-UHFFFAOYSA-N 1 2 360.259 3.155 20 30 FGEDLO Cc1ncsc1C(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000363316180 498757942 /nfs/dbraw/zinc/75/79/42/498757942.db2.gz GGEVHZAMHGCZAD-UHFFFAOYSA-N 1 2 373.909 3.305 20 30 FGEDLO Cc1ncsc1C(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000363316180 498757946 /nfs/dbraw/zinc/75/79/46/498757946.db2.gz GGEVHZAMHGCZAD-UHFFFAOYSA-N 1 2 373.909 3.305 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)ncc3F)CC2)c1 ZINC000294642163 498759054 /nfs/dbraw/zinc/75/90/54/498759054.db2.gz BABJKTRKEZAXAF-UHFFFAOYSA-N 1 2 356.376 3.082 20 30 FGEDLO Cc1ccnc(Oc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2C)c1 ZINC000572993360 506095230 /nfs/dbraw/zinc/09/52/30/506095230.db2.gz ZUBUVPAWOANSLK-SFHVURJKSA-N 1 2 354.454 3.109 20 30 FGEDLO Cc1ccnc(Oc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2C)c1 ZINC000572993360 506095231 /nfs/dbraw/zinc/09/52/31/506095231.db2.gz ZUBUVPAWOANSLK-SFHVURJKSA-N 1 2 354.454 3.109 20 30 FGEDLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705090 498856147 /nfs/dbraw/zinc/85/61/47/498856147.db2.gz IKIPRLNYXFAPKY-GXTWGEPZSA-N 1 2 366.446 3.266 20 30 FGEDLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298705090 498856152 /nfs/dbraw/zinc/85/61/52/498856152.db2.gz IKIPRLNYXFAPKY-GXTWGEPZSA-N 1 2 366.446 3.266 20 30 FGEDLO CCc1ccc2c(c1)[C@H](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C(=O)N2 ZINC000328702149 498907489 /nfs/dbraw/zinc/90/74/89/498907489.db2.gz XBEWFCAORVPMFA-HNNXBMFYSA-N 1 2 359.470 3.392 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000328711302 498910372 /nfs/dbraw/zinc/91/03/72/498910372.db2.gz NCLXUJIRRYIRJH-MAUKXSAKSA-N 1 2 360.408 3.248 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000328711302 498910376 /nfs/dbraw/zinc/91/03/76/498910376.db2.gz NCLXUJIRRYIRJH-MAUKXSAKSA-N 1 2 360.408 3.248 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000328763981 498930447 /nfs/dbraw/zinc/93/04/47/498930447.db2.gz ZTULECLJOZRFMG-BPLDGKMQSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[C@H]3O)n2)C1 ZINC000328763981 498930452 /nfs/dbraw/zinc/93/04/52/498930452.db2.gz ZTULECLJOZRFMG-BPLDGKMQSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H]4CCC[C@H]43)n2)C1 ZINC000328819893 498949866 /nfs/dbraw/zinc/94/98/66/498949866.db2.gz HLPOXIMYHLUILG-BMFZPTHFSA-N 1 2 364.515 3.174 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H]4CCC[C@H]43)n2)C1 ZINC000328819893 498949870 /nfs/dbraw/zinc/94/98/70/498949870.db2.gz HLPOXIMYHLUILG-BMFZPTHFSA-N 1 2 364.515 3.174 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC(=O)CC23CCC3)sc2c1CCCC2 ZINC000570222532 506118031 /nfs/dbraw/zinc/11/80/31/506118031.db2.gz CCOCXNUMAHWION-UHFFFAOYSA-N 1 2 371.506 3.415 20 30 FGEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC(=O)CC23CCC3)sc2c1CCCC2 ZINC000570222532 506118035 /nfs/dbraw/zinc/11/80/35/506118035.db2.gz CCOCXNUMAHWION-UHFFFAOYSA-N 1 2 371.506 3.415 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363721288 498959963 /nfs/dbraw/zinc/95/99/63/498959963.db2.gz UADYMKGUAVHBIV-RDJZCZTQSA-N 1 2 365.399 3.439 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363721288 498959965 /nfs/dbraw/zinc/95/99/65/498959965.db2.gz UADYMKGUAVHBIV-RDJZCZTQSA-N 1 2 365.399 3.439 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CN1C(=O)CCc3ccccc31)CCC2 ZINC000328865244 498965236 /nfs/dbraw/zinc/96/52/36/498965236.db2.gz ZNLSYYLGPGFGRG-MRXNPFEDSA-N 1 2 352.438 3.005 20 30 FGEDLO CO[C@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000328902732 498979518 /nfs/dbraw/zinc/97/95/18/498979518.db2.gz GYHYVXDKIGESGN-ZFWWWQNUSA-N 1 2 352.504 3.031 20 30 FGEDLO CO[C@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000328902732 498979523 /nfs/dbraw/zinc/97/95/23/498979523.db2.gz GYHYVXDKIGESGN-ZFWWWQNUSA-N 1 2 352.504 3.031 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCCC2(O)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328899347 498979845 /nfs/dbraw/zinc/97/98/45/498979845.db2.gz XGMSJUDRZGGDLH-HOTGVXAUSA-N 1 2 369.868 3.033 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCCC2(O)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328899347 498979855 /nfs/dbraw/zinc/97/98/55/498979855.db2.gz XGMSJUDRZGGDLH-HOTGVXAUSA-N 1 2 369.868 3.033 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932111 498990516 /nfs/dbraw/zinc/99/05/16/498990516.db2.gz BMGBSTYEZJHNIS-BPQIPLTHSA-N 1 2 350.434 3.238 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000328932111 498990522 /nfs/dbraw/zinc/99/05/22/498990522.db2.gz BMGBSTYEZJHNIS-BPQIPLTHSA-N 1 2 350.434 3.238 20 30 FGEDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000328986954 499007319 /nfs/dbraw/zinc/00/73/19/499007319.db2.gz HELGESJAJAKRPQ-UHFFFAOYSA-N 1 2 368.437 3.419 20 30 FGEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000328990694 499008637 /nfs/dbraw/zinc/00/86/37/499008637.db2.gz FLECTXOHUKGPKN-INIZCTEOSA-N 1 2 358.442 3.142 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)C2 ZINC000329252044 499083661 /nfs/dbraw/zinc/08/36/61/499083661.db2.gz YJROMDIVTTTXHV-KRWDZBQOSA-N 1 2 362.477 3.481 20 30 FGEDLO CC[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCO1 ZINC000329319857 499097931 /nfs/dbraw/zinc/09/79/31/499097931.db2.gz DUHYMQKXZFPPHB-DZGCQCFKSA-N 1 2 358.442 3.193 20 30 FGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329406084 499116492 /nfs/dbraw/zinc/11/64/92/499116492.db2.gz ZIUVVIVQSOQSHK-QGZVFWFLSA-N 1 2 369.469 3.228 20 30 FGEDLO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329406084 499116495 /nfs/dbraw/zinc/11/64/95/499116495.db2.gz ZIUVVIVQSOQSHK-QGZVFWFLSA-N 1 2 369.469 3.228 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCOCC2(CC2)C1)c1ccc2c(c1)OCCO2 ZINC000329477012 499126933 /nfs/dbraw/zinc/12/69/33/499126933.db2.gz UIZWOBVAYSTTKV-HXUWFJFHSA-N 1 2 374.481 3.224 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCOCC2(CC2)C1)c1ccc2c(c1)OCCO2 ZINC000329477012 499126935 /nfs/dbraw/zinc/12/69/35/499126935.db2.gz UIZWOBVAYSTTKV-HXUWFJFHSA-N 1 2 374.481 3.224 20 30 FGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329481450 499127164 /nfs/dbraw/zinc/12/71/64/499127164.db2.gz DLFOZXWMKOOVCS-HILYYZTDSA-N 1 2 371.529 3.288 20 30 FGEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000329481450 499127166 /nfs/dbraw/zinc/12/71/66/499127166.db2.gz DLFOZXWMKOOVCS-HILYYZTDSA-N 1 2 371.529 3.288 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CCOCC2(CC2)C1 ZINC000329484260 499127389 /nfs/dbraw/zinc/12/73/89/499127389.db2.gz WSVJXFHIWVMCAI-NSHDSACASA-N 1 2 354.353 3.097 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCOCC2(CC2)C1 ZINC000329484260 499127391 /nfs/dbraw/zinc/12/73/91/499127391.db2.gz WSVJXFHIWVMCAI-NSHDSACASA-N 1 2 354.353 3.097 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000369810927 499132714 /nfs/dbraw/zinc/13/27/14/499132714.db2.gz ZXYQTALKMFKISR-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000369810927 499132717 /nfs/dbraw/zinc/13/27/17/499132717.db2.gz ZXYQTALKMFKISR-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000367228880 499165148 /nfs/dbraw/zinc/16/51/48/499165148.db2.gz CGWUPNVJALTPQL-INIZCTEOSA-N 1 2 354.479 3.447 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000370056987 499172144 /nfs/dbraw/zinc/17/21/44/499172144.db2.gz UFQGQEFMBKGEKZ-HNNXBMFYSA-N 1 2 356.495 3.434 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)cs1 ZINC000370056987 499172145 /nfs/dbraw/zinc/17/21/45/499172145.db2.gz UFQGQEFMBKGEKZ-HNNXBMFYSA-N 1 2 356.495 3.434 20 30 FGEDLO Cc1cc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cs1 ZINC000372922681 499195022 /nfs/dbraw/zinc/19/50/22/499195022.db2.gz MBPYILIKIKAKIR-MRXNPFEDSA-N 1 2 360.504 3.191 20 30 FGEDLO Cc1cc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cs1 ZINC000372922681 499195024 /nfs/dbraw/zinc/19/50/24/499195024.db2.gz MBPYILIKIKAKIR-MRXNPFEDSA-N 1 2 360.504 3.191 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460963 499201412 /nfs/dbraw/zinc/20/14/12/499201412.db2.gz NJOIRXJGLMUSRU-LLVKDONJSA-N 1 2 350.344 3.278 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000367460963 499201413 /nfs/dbraw/zinc/20/14/13/499201413.db2.gz NJOIRXJGLMUSRU-LLVKDONJSA-N 1 2 350.344 3.278 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCC2 ZINC000367526483 499209272 /nfs/dbraw/zinc/20/92/72/499209272.db2.gz IFEBQZBQOPNXDR-HNNXBMFYSA-N 1 2 354.429 3.174 20 30 FGEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(-c2ccccc2)no1 ZINC000367572170 499214110 /nfs/dbraw/zinc/21/41/10/499214110.db2.gz ZXESLJFKEVBLFR-XLIONFOSSA-N 1 2 369.469 3.078 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370513863 499227752 /nfs/dbraw/zinc/22/77/52/499227752.db2.gz KSQNKVUGJNNNPM-QGZVFWFLSA-N 1 2 365.437 3.011 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370513863 499227754 /nfs/dbraw/zinc/22/77/54/499227754.db2.gz KSQNKVUGJNNNPM-QGZVFWFLSA-N 1 2 365.437 3.011 20 30 FGEDLO COc1cc(OC)cc([C@@H](Nc2cc(C#N)cc(C)n2)c2[nH+]ccn2C)c1 ZINC000370543873 499230341 /nfs/dbraw/zinc/23/03/41/499230341.db2.gz MGUAJBRDXUBPAH-LJQANCHMSA-N 1 2 363.421 3.214 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000368073380 499261628 /nfs/dbraw/zinc/26/16/28/499261628.db2.gz ZJVXQNGWJXVRQQ-LPHOPBHVSA-N 1 2 371.506 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000368073380 499261629 /nfs/dbraw/zinc/26/16/29/499261629.db2.gz ZJVXQNGWJXVRQQ-LPHOPBHVSA-N 1 2 371.506 3.274 20 30 FGEDLO Cc1ccc2ncc(C#N)c(NC3CC[NH+](Cc4cscn4)CC3)c2c1 ZINC000368160408 499270066 /nfs/dbraw/zinc/27/00/66/499270066.db2.gz GUCDZAIGHPIPGC-UHFFFAOYSA-N 1 2 363.490 3.370 20 30 FGEDLO C[C@@H](O)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000368241596 499277496 /nfs/dbraw/zinc/27/74/96/499277496.db2.gz OHWOLLAOCKLTHH-GFCCVEGCSA-N 1 2 361.442 3.251 20 30 FGEDLO Cc1cn2c([nH+]1)CN(c1c(C#N)cnc3ccc(OC(F)F)cc31)CC2 ZINC000371704432 499357144 /nfs/dbraw/zinc/35/71/44/499357144.db2.gz WIOKMDLKWYZIMR-UHFFFAOYSA-N 1 2 355.348 3.233 20 30 FGEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CCO2)c1 ZINC000372364391 499425309 /nfs/dbraw/zinc/42/53/09/499425309.db2.gz FKSSMVDAMFPSSW-NRFANRHFSA-N 1 2 372.428 3.017 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](c4ccc(Cl)s4)C3)n2c1 ZINC000372403431 499429858 /nfs/dbraw/zinc/42/98/58/499429858.db2.gz CNNPMITTXSSMHA-AWEZNQCLSA-N 1 2 358.854 3.494 20 30 FGEDLO N#Cc1ncn(C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)n1 ZINC000373410786 499468056 /nfs/dbraw/zinc/46/80/56/499468056.db2.gz CJZZWVHCMIQQQN-UHFFFAOYSA-N 1 2 356.499 3.491 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000378346810 499504714 /nfs/dbraw/zinc/50/47/14/499504714.db2.gz BFXJYHKFUOTGCP-AWEZNQCLSA-N 1 2 350.397 3.209 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000378346810 499504715 /nfs/dbraw/zinc/50/47/15/499504715.db2.gz BFXJYHKFUOTGCP-AWEZNQCLSA-N 1 2 350.397 3.209 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(F)(c3cccnc3)CC2)c(C#N)c1C ZINC000375336137 499508364 /nfs/dbraw/zinc/50/83/64/499508364.db2.gz HGSXJTKGHNPKKN-CQSZACIVSA-N 1 2 370.428 3.451 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375350446 499509676 /nfs/dbraw/zinc/50/96/76/499509676.db2.gz WGXNLZHSWVNCPQ-OAHLLOKOSA-N 1 2 352.413 3.241 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378547990 499530510 /nfs/dbraw/zinc/53/05/10/499530510.db2.gz HQUFXGYAACFOPL-JKSUJKDBSA-N 1 2 365.437 3.163 20 30 FGEDLO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000375690610 499545569 /nfs/dbraw/zinc/54/55/69/499545569.db2.gz HTQULQVGYOEMRN-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000375690610 499545570 /nfs/dbraw/zinc/54/55/70/499545570.db2.gz HTQULQVGYOEMRN-UHFFFAOYSA-N 1 2 355.511 3.420 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375731853 499549660 /nfs/dbraw/zinc/54/96/60/499549660.db2.gz PGNLIIMWYYDNTJ-CABCVRRESA-N 1 2 353.426 3.122 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000376024551 499577031 /nfs/dbraw/zinc/57/70/31/499577031.db2.gz QMTRVTXNSKTAIH-UHFFFAOYSA-N 1 2 354.429 3.166 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000376301769 499598906 /nfs/dbraw/zinc/59/89/06/499598906.db2.gz SNBFQFAXHFUXIE-QGZVFWFLSA-N 1 2 354.454 3.133 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncon1)CCCC2 ZINC000377498361 499697714 /nfs/dbraw/zinc/69/77/14/499697714.db2.gz WTGWDAKJJWMUNY-CQSZACIVSA-N 1 2 371.466 3.047 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncon1)CCCC2 ZINC000377498361 499697715 /nfs/dbraw/zinc/69/77/15/499697715.db2.gz WTGWDAKJJWMUNY-CQSZACIVSA-N 1 2 371.466 3.047 20 30 FGEDLO C=CCOc1cccc(C[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000377829857 499739681 /nfs/dbraw/zinc/73/96/81/499739681.db2.gz ZCUWONIALSTNBN-CQSZACIVSA-N 1 2 366.387 3.257 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000378179493 499762374 /nfs/dbraw/zinc/76/23/74/499762374.db2.gz JJALIUNCXICHOW-HNNXBMFYSA-N 1 2 350.422 3.361 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC000414129116 499763010 /nfs/dbraw/zinc/76/30/10/499763010.db2.gz UJMVLEXTXFGRFZ-LLVKDONJSA-N 1 2 354.237 3.127 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC000414129116 499763012 /nfs/dbraw/zinc/76/30/12/499763012.db2.gz UJMVLEXTXFGRFZ-LLVKDONJSA-N 1 2 354.237 3.127 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411890187 499800694 /nfs/dbraw/zinc/80/06/94/499800694.db2.gz WRAKBIMPVKNVFJ-SFHVURJKSA-N 1 2 351.450 3.249 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000413123505 499916901 /nfs/dbraw/zinc/91/69/01/499916901.db2.gz MNOGDGOSCCWXFJ-SFHVURJKSA-N 1 2 352.482 3.249 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413580114 499996210 /nfs/dbraw/zinc/99/62/10/499996210.db2.gz PHLXMHNUJSPPNQ-YTQUADARSA-N 1 2 352.482 3.283 20 30 FGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413580114 499996214 /nfs/dbraw/zinc/99/62/14/499996214.db2.gz PHLXMHNUJSPPNQ-YTQUADARSA-N 1 2 352.482 3.283 20 30 FGEDLO N#Cc1ccnc(NCc2[nH+]ccn2CCCc2ccccc2)c1Cl ZINC000429213736 500025017 /nfs/dbraw/zinc/02/50/17/500025017.db2.gz KYBBUDVLZJQCIA-UHFFFAOYSA-N 1 2 351.841 3.470 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3c(C#N)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000425210427 500044991 /nfs/dbraw/zinc/04/49/91/500044991.db2.gz UMKMBWSRUACXAY-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO Cc1cc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425214355 500046130 /nfs/dbraw/zinc/04/61/30/500046130.db2.gz JDBLIVHTYCEMSC-UHFFFAOYSA-N 1 2 354.841 3.268 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000425404027 500095085 /nfs/dbraw/zinc/09/50/85/500095085.db2.gz VGPVEKDSAHYDIK-MRXNPFEDSA-N 1 2 363.465 3.456 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425540945 500138511 /nfs/dbraw/zinc/13/85/11/500138511.db2.gz VYAGAZYETRVXLW-CYBMUJFWSA-N 1 2 357.483 3.384 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425540945 500138513 /nfs/dbraw/zinc/13/85/13/500138513.db2.gz VYAGAZYETRVXLW-CYBMUJFWSA-N 1 2 357.483 3.384 20 30 FGEDLO CSc1cccc([C@H]([NH2+]CC(=O)NCC#N)c2cc(F)ccc2F)c1 ZINC000425963675 500217597 /nfs/dbraw/zinc/21/75/97/500217597.db2.gz NFHQXHYDCPQKKU-SFHVURJKSA-N 1 2 361.417 3.005 20 30 FGEDLO CN(C)c1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c[nH+]1 ZINC000431807528 500427466 /nfs/dbraw/zinc/42/74/66/500427466.db2.gz HKQTZINDMLUBJW-GOSISDBHSA-N 1 2 351.454 3.382 20 30 FGEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000428420531 500508207 /nfs/dbraw/zinc/50/82/07/500508207.db2.gz NWQAHEGKPXQCIL-INIZCTEOSA-N 1 2 358.449 3.088 20 30 FGEDLO N#Cc1cnc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(Cl)c1 ZINC000432467896 500519683 /nfs/dbraw/zinc/51/96/83/500519683.db2.gz CJFLVRCFKJQORN-UHFFFAOYSA-N 1 2 367.796 3.134 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000432678930 500547474 /nfs/dbraw/zinc/54/74/74/500547474.db2.gz UNLNYYBJRSEXHH-HZPDHXFCSA-N 1 2 358.486 3.309 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2scc(C)c2C#N)CC1 ZINC000576645058 506204359 /nfs/dbraw/zinc/20/43/59/506204359.db2.gz RYVPEKCPPUXUMZ-UHFFFAOYSA-N 1 2 370.478 3.287 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162798 506467150 /nfs/dbraw/zinc/46/71/50/506467150.db2.gz MRRWCPLSKLLRDM-FZKQIMNGSA-N 1 2 351.853 3.452 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162798 506467154 /nfs/dbraw/zinc/46/71/54/506467154.db2.gz MRRWCPLSKLLRDM-FZKQIMNGSA-N 1 2 351.853 3.452 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)c1C#N ZINC000432927389 500592470 /nfs/dbraw/zinc/59/24/70/500592470.db2.gz LSDXFUSTOXEQOP-UHFFFAOYSA-N 1 2 369.416 3.003 20 30 FGEDLO CCOC(=O)c1cnc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000442676118 500610880 /nfs/dbraw/zinc/61/08/80/500610880.db2.gz KXDSKWOKZNJXBX-AWEZNQCLSA-N 1 2 370.478 3.075 20 30 FGEDLO CC1(C)C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC(C)(C)O1 ZINC000442886481 500640569 /nfs/dbraw/zinc/64/05/69/500640569.db2.gz SCQWPZMVFYKQFD-UHFFFAOYSA-N 1 2 363.889 3.476 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000433232493 500651851 /nfs/dbraw/zinc/65/18/51/500651851.db2.gz MIGCGKGBNZKLIH-HXUWFJFHSA-N 1 2 362.477 3.461 20 30 FGEDLO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC000447893336 500687047 /nfs/dbraw/zinc/68/70/47/500687047.db2.gz ZWWIZIAKQYNEJR-VXKWHMMOSA-N 1 2 374.488 3.042 20 30 FGEDLO CN1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2ccccc2)C1 ZINC000447893336 500687051 /nfs/dbraw/zinc/68/70/51/500687051.db2.gz ZWWIZIAKQYNEJR-VXKWHMMOSA-N 1 2 374.488 3.042 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000437938313 500719042 /nfs/dbraw/zinc/71/90/42/500719042.db2.gz XMDRBDQJYXPHGV-OALUTQOASA-N 1 2 360.502 3.066 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000433652236 500725786 /nfs/dbraw/zinc/72/57/86/500725786.db2.gz CAEKBSAYAGWIRS-UHFFFAOYSA-N 1 2 362.393 3.303 20 30 FGEDLO CC(C)c1nc(N2CCN(c3cccc(C#N)n3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433756592 500738610 /nfs/dbraw/zinc/73/86/10/500738610.db2.gz GOFPYVJRHHRJER-UHFFFAOYSA-N 1 2 364.497 3.491 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433774166 500741767 /nfs/dbraw/zinc/74/17/67/500741767.db2.gz KCWOKNQAUFAKNJ-UHFFFAOYSA-N 1 2 364.453 3.146 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433774166 500741769 /nfs/dbraw/zinc/74/17/69/500741769.db2.gz KCWOKNQAUFAKNJ-UHFFFAOYSA-N 1 2 364.453 3.146 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000433874701 500758695 /nfs/dbraw/zinc/75/86/95/500758695.db2.gz YAAZAADLQYSSEY-LJQANCHMSA-N 1 2 365.502 3.384 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000434548577 500859019 /nfs/dbraw/zinc/85/90/19/500859019.db2.gz VOXZQAXBCNWFOG-UHFFFAOYSA-N 1 2 363.339 3.369 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000434548577 500859022 /nfs/dbraw/zinc/85/90/22/500859022.db2.gz VOXZQAXBCNWFOG-UHFFFAOYSA-N 1 2 363.339 3.369 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580177 506221732 /nfs/dbraw/zinc/22/17/32/506221732.db2.gz SBWVDAQOXCJGIN-MFKMUULPSA-N 1 2 357.788 3.242 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580177 506221735 /nfs/dbraw/zinc/22/17/35/506221735.db2.gz SBWVDAQOXCJGIN-MFKMUULPSA-N 1 2 357.788 3.242 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722712 500887669 /nfs/dbraw/zinc/88/76/69/500887669.db2.gz INZBAYGKABSUAO-JSGCOSHPSA-N 1 2 364.314 3.295 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722712 500887671 /nfs/dbraw/zinc/88/76/71/500887671.db2.gz INZBAYGKABSUAO-JSGCOSHPSA-N 1 2 364.314 3.295 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439443663 500898068 /nfs/dbraw/zinc/89/80/68/500898068.db2.gz USGRZEDBJDZMHY-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439443663 500898070 /nfs/dbraw/zinc/89/80/70/500898070.db2.gz USGRZEDBJDZMHY-UHFFFAOYSA-N 1 2 359.832 3.489 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000444782479 500899606 /nfs/dbraw/zinc/89/96/06/500899606.db2.gz COJMLJJZHOVYAH-FQEVSTJZSA-N 1 2 368.437 3.306 20 30 FGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000444782479 500899608 /nfs/dbraw/zinc/89/96/08/500899608.db2.gz COJMLJJZHOVYAH-FQEVSTJZSA-N 1 2 368.437 3.306 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435573355 500993527 /nfs/dbraw/zinc/99/35/27/500993527.db2.gz HDTGVYJNTBUVLA-UHFFFAOYSA-N 1 2 358.445 3.455 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000435671810 501008722 /nfs/dbraw/zinc/00/87/22/501008722.db2.gz FTKKSUYCCSUQDS-IMJJTQAJSA-N 1 2 368.271 3.234 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1OCCCC#N ZINC000449569532 501035107 /nfs/dbraw/zinc/03/51/07/501035107.db2.gz CGQYZGMCRKGFRO-VWLOTQADSA-N 1 2 364.511 3.111 20 30 FGEDLO COc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1OCCCC#N ZINC000449569532 501035109 /nfs/dbraw/zinc/03/51/09/501035109.db2.gz CGQYZGMCRKGFRO-VWLOTQADSA-N 1 2 364.511 3.111 20 30 FGEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000441186006 501100015 /nfs/dbraw/zinc/10/00/15/501100015.db2.gz VOLWBARLESVRKS-UHFFFAOYSA-N 1 2 362.389 3.359 20 30 FGEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000441186006 501100018 /nfs/dbraw/zinc/10/00/18/501100018.db2.gz VOLWBARLESVRKS-UHFFFAOYSA-N 1 2 362.389 3.359 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450411947 501115300 /nfs/dbraw/zinc/11/53/00/501115300.db2.gz YJSIQQJFDPFFET-QCSYZSNVSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450411947 501115304 /nfs/dbraw/zinc/11/53/04/501115304.db2.gz YJSIQQJFDPFFET-QCSYZSNVSA-N 1 2 366.864 3.322 20 30 FGEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441291781 501115370 /nfs/dbraw/zinc/11/53/70/501115370.db2.gz SAURTVNSJYCVEL-INIZCTEOSA-N 1 2 365.518 3.113 20 30 FGEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441291781 501115371 /nfs/dbraw/zinc/11/53/71/501115371.db2.gz SAURTVNSJYCVEL-INIZCTEOSA-N 1 2 365.518 3.113 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000449968994 501140380 /nfs/dbraw/zinc/14/03/80/501140380.db2.gz ZWFJSVZHKOUKOU-AWEZNQCLSA-N 1 2 356.857 3.367 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000446830646 501169542 /nfs/dbraw/zinc/16/95/42/501169542.db2.gz VFZLAMGGVYFLPN-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000446830646 501169544 /nfs/dbraw/zinc/16/95/44/501169544.db2.gz VFZLAMGGVYFLPN-OAHLLOKOSA-N 1 2 357.903 3.304 20 30 FGEDLO Cc1cccn2c(CN3CCN(c4ccc(C#N)cc4Cl)CC3)c[nH+]c12 ZINC000446916203 501181407 /nfs/dbraw/zinc/18/14/07/501181407.db2.gz JHNJQODQWAGEFM-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598945150 506239002 /nfs/dbraw/zinc/23/90/02/506239002.db2.gz FKYOVDUIVUVTOD-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO N#Cc1ccccc1OCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000598945150 506239006 /nfs/dbraw/zinc/23/90/06/506239006.db2.gz FKYOVDUIVUVTOD-UHFFFAOYSA-N 1 2 358.239 3.153 20 30 FGEDLO C[C@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000450706844 501190541 /nfs/dbraw/zinc/19/05/41/501190541.db2.gz GQXATMRHNYFGGE-NVXWUHKLSA-N 1 2 371.510 3.181 20 30 FGEDLO Cc1ccc([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000450267159 501222316 /nfs/dbraw/zinc/22/23/16/501222316.db2.gz WKLRNYMAZYWABU-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO C=CCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CCCC1 ZINC000450914500 501228762 /nfs/dbraw/zinc/22/87/62/501228762.db2.gz OCVISBSEUDJPBP-IRXDYDNUSA-N 1 2 363.477 3.457 20 30 FGEDLO C=CCC1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CCCC1 ZINC000450914500 501228766 /nfs/dbraw/zinc/22/87/66/501228766.db2.gz OCVISBSEUDJPBP-IRXDYDNUSA-N 1 2 363.477 3.457 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1F ZINC000455270556 501260058 /nfs/dbraw/zinc/26/00/58/501260058.db2.gz DLZCRADYKLCLGS-ZQIUZPCESA-N 1 2 355.417 3.030 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000455372029 501285090 /nfs/dbraw/zinc/28/50/90/501285090.db2.gz UQANWYUWXAGDPP-KRWDZBQOSA-N 1 2 372.469 3.038 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000451452702 501296152 /nfs/dbraw/zinc/29/61/52/501296152.db2.gz FZMWOKIYKMYOQR-VQIMIIECSA-N 1 2 372.513 3.266 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1C#N ZINC000451452702 501296155 /nfs/dbraw/zinc/29/61/55/501296155.db2.gz FZMWOKIYKMYOQR-VQIMIIECSA-N 1 2 372.513 3.266 20 30 FGEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000453960618 501433786 /nfs/dbraw/zinc/43/37/86/501433786.db2.gz CSOZCGSHKUIAQU-PBHICJAKSA-N 1 2 366.465 3.496 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000459467714 501658813 /nfs/dbraw/zinc/65/88/13/501658813.db2.gz ZGIXOLWBDKXRPL-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000459467714 501658815 /nfs/dbraw/zinc/65/88/15/501658815.db2.gz ZGIXOLWBDKXRPL-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO COCCN(CC#N)C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000457208521 501665581 /nfs/dbraw/zinc/66/55/81/501665581.db2.gz XESMFBNFJRJJRA-UHFFFAOYSA-N 1 2 354.454 3.083 20 30 FGEDLO CC[C@@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463507078 501746275 /nfs/dbraw/zinc/74/62/75/501746275.db2.gz XEQCWJJKYYDPDA-NHCUHLMSSA-N 1 2 369.509 3.188 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302597 501765297 /nfs/dbraw/zinc/76/52/97/501765297.db2.gz JDICKYTYMXTONG-OIISXLGYSA-N 1 2 351.368 3.330 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302597 501765300 /nfs/dbraw/zinc/76/53/00/501765300.db2.gz JDICKYTYMXTONG-OIISXLGYSA-N 1 2 351.368 3.330 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729639 501784347 /nfs/dbraw/zinc/78/43/47/501784347.db2.gz JIALSQADTIFREF-FQEVSTJZSA-N 1 2 360.461 3.273 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000470729639 501784353 /nfs/dbraw/zinc/78/43/53/501784353.db2.gz JIALSQADTIFREF-FQEVSTJZSA-N 1 2 360.461 3.273 20 30 FGEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4[nH+]ccn4c3)ccc21 ZINC000470780457 501800912 /nfs/dbraw/zinc/80/09/12/501800912.db2.gz SLMIIPUPFAVGAV-UHFFFAOYSA-N 1 2 373.416 3.170 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707941 501857688 /nfs/dbraw/zinc/85/76/88/501857688.db2.gz WCYCAGARYSKICH-IFMALSPDSA-N 1 2 362.429 3.294 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707941 501857691 /nfs/dbraw/zinc/85/76/91/501857691.db2.gz WCYCAGARYSKICH-IFMALSPDSA-N 1 2 362.429 3.294 20 30 FGEDLO C=C(C)COCCNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000474520502 501864141 /nfs/dbraw/zinc/86/41/41/501864141.db2.gz RRALEHXCCIQXQI-UHFFFAOYSA-N 1 2 356.470 3.284 20 30 FGEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3c(F)cccc3F)CC2)cc1 ZINC000485908099 501984093 /nfs/dbraw/zinc/98/40/93/501984093.db2.gz NXKHOXNLEZUXDJ-LJQANCHMSA-N 1 2 355.388 3.242 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)c1C ZINC000461207853 502039034 /nfs/dbraw/zinc/03/90/34/502039034.db2.gz ORTKUDXSAPGBAH-UHFFFAOYSA-N 1 2 352.419 3.162 20 30 FGEDLO N#Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000464646649 502053858 /nfs/dbraw/zinc/05/38/58/502053858.db2.gz XPUADZKHZZPQMO-SFHVURJKSA-N 1 2 355.438 3.426 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@H](CCC#N)c3ccccc3)[nH+]cn2)CC1 ZINC000596172811 506291282 /nfs/dbraw/zinc/29/12/82/506291282.db2.gz ZMYZINSTKNRDJB-QGZVFWFLSA-N 1 2 351.454 3.285 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@H](CCC#N)c3ccccc3)nc[nH+]2)CC1 ZINC000596172811 506291289 /nfs/dbraw/zinc/29/12/89/506291289.db2.gz ZMYZINSTKNRDJB-QGZVFWFLSA-N 1 2 351.454 3.285 20 30 FGEDLO Cc1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1Oc1cc[nH+]cc1 ZINC000464800429 502099143 /nfs/dbraw/zinc/09/91/43/502099143.db2.gz FATURCHNXQGFKR-UHFFFAOYSA-N 1 2 364.449 3.148 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820057 502104980 /nfs/dbraw/zinc/10/49/80/502104980.db2.gz DEFLHEOMPPGSDG-RTWAWAEBSA-N 1 2 365.452 3.256 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820057 502104983 /nfs/dbraw/zinc/10/49/83/502104983.db2.gz DEFLHEOMPPGSDG-RTWAWAEBSA-N 1 2 365.452 3.256 20 30 FGEDLO Cc1cc(Br)cn2cc(CNc3ccc(C)c(C#N)n3)[nH+]c12 ZINC000468745853 502168165 /nfs/dbraw/zinc/16/81/65/502168165.db2.gz XOGYNRSZLXPVMO-UHFFFAOYSA-N 1 2 356.227 3.014 20 30 FGEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000461795426 502203390 /nfs/dbraw/zinc/20/33/90/502203390.db2.gz LHOWDQARSMGTTJ-LIRRHRJNSA-N 1 2 362.408 3.440 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1ccccc1F ZINC000475591425 502221757 /nfs/dbraw/zinc/22/17/57/502221757.db2.gz PMBCFZAPXSPBKF-INIZCTEOSA-N 1 2 358.323 3.143 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(SC(C)C)cc3)CC2)c1C#N ZINC000472152788 502250892 /nfs/dbraw/zinc/25/08/92/502250892.db2.gz IBAIBPFYFVAKCV-UHFFFAOYSA-N 1 2 369.538 3.423 20 30 FGEDLO Cc1ccncc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000483047969 502256029 /nfs/dbraw/zinc/25/60/29/502256029.db2.gz MEBRHLBLWZRKJE-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO Cc1ccncc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000483047969 502256032 /nfs/dbraw/zinc/25/60/32/502256032.db2.gz MEBRHLBLWZRKJE-UHFFFAOYSA-N 1 2 356.857 3.422 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000465699927 502351359 /nfs/dbraw/zinc/35/13/59/502351359.db2.gz WXLUECFLHFLZFA-MOPGFXCFSA-N 1 2 363.465 3.365 20 30 FGEDLO N#Cc1ccc(NC(=O)NCc2cn3ccccc3[nH+]2)cc1Br ZINC000487929780 502570464 /nfs/dbraw/zinc/57/04/64/502570464.db2.gz AUKNZQKIEAYIQV-UHFFFAOYSA-N 1 2 370.210 3.290 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000466495283 502587313 /nfs/dbraw/zinc/58/73/13/502587313.db2.gz CBMRHUNEGZCLLM-BETUJISGSA-N 1 2 353.382 3.219 20 30 FGEDLO C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H](C)N1CC#N ZINC000602844547 506323589 /nfs/dbraw/zinc/32/35/89/506323589.db2.gz CUXRSRXEYCKDJM-HZPDHXFCSA-N 1 2 365.437 3.324 20 30 FGEDLO Cc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ccc1C#N ZINC000488118220 502632919 /nfs/dbraw/zinc/63/29/19/502632919.db2.gz ADTQBGIPVYAJMB-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO CC(C)Oc1ccnc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000592997060 506326250 /nfs/dbraw/zinc/32/62/50/506326250.db2.gz IZRIHQFJMDXODW-UHFFFAOYSA-N 1 2 354.429 3.202 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000592997060 506326252 /nfs/dbraw/zinc/32/62/52/506326252.db2.gz IZRIHQFJMDXODW-UHFFFAOYSA-N 1 2 354.429 3.202 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000484557850 502669783 /nfs/dbraw/zinc/66/97/83/502669783.db2.gz AYVZVYWWWRDFMN-UHFFFAOYSA-N 1 2 370.497 3.243 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000484557850 502669786 /nfs/dbraw/zinc/66/97/86/502669786.db2.gz AYVZVYWWWRDFMN-UHFFFAOYSA-N 1 2 370.497 3.243 20 30 FGEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000602870856 506332570 /nfs/dbraw/zinc/33/25/70/506332570.db2.gz XWDGCSIBBSDBLX-OAHLLOKOSA-N 1 2 361.449 3.058 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509153342 502834339 /nfs/dbraw/zinc/83/43/39/502834339.db2.gz OUSOUVWNNDFNHU-OKILXGFUSA-N 1 2 371.506 3.263 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509153342 502834342 /nfs/dbraw/zinc/83/43/42/502834342.db2.gz OUSOUVWNNDFNHU-OKILXGFUSA-N 1 2 371.506 3.263 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489158069 502890871 /nfs/dbraw/zinc/89/08/71/502890871.db2.gz GVXQLPGWKUICNP-IBGZPJMESA-N 1 2 357.425 3.189 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489158069 502890873 /nfs/dbraw/zinc/89/08/73/502890873.db2.gz GVXQLPGWKUICNP-IBGZPJMESA-N 1 2 357.425 3.189 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc(C#N)cc2Cl)cc1 ZINC000513620104 502981995 /nfs/dbraw/zinc/98/19/95/502981995.db2.gz QIZSGFYCMKZOAT-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)CCC#N)c1c(F)cccc1F ZINC000497629744 503004236 /nfs/dbraw/zinc/00/42/36/503004236.db2.gz TYQGLGSIFLKBSU-OAHLLOKOSA-N 1 2 352.429 3.197 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000509951598 503018040 /nfs/dbraw/zinc/01/80/40/503018040.db2.gz ICHUIHJSTBXZLJ-BEFAXECRSA-N 1 2 350.890 3.259 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000509951598 503018042 /nfs/dbraw/zinc/01/80/42/503018042.db2.gz ICHUIHJSTBXZLJ-BEFAXECRSA-N 1 2 350.890 3.259 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000506057120 503039146 /nfs/dbraw/zinc/03/91/46/503039146.db2.gz UJLWJIXDTUPZBT-UHFFFAOYSA-N 1 2 371.872 3.149 20 30 FGEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000506098453 503046733 /nfs/dbraw/zinc/04/67/33/503046733.db2.gz DHOCDRMPJDMPJW-UHFFFAOYSA-N 1 2 365.525 3.444 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489881565 503055947 /nfs/dbraw/zinc/05/59/47/503055947.db2.gz GPJQPXVVOATTHZ-AZUAARDMSA-N 1 2 357.417 3.179 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000506635956 503147251 /nfs/dbraw/zinc/14/72/51/503147251.db2.gz YUPBCFUNWXMGQM-UHFFFAOYSA-N 1 2 365.477 3.008 20 30 FGEDLO C[C@@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000593045295 506356617 /nfs/dbraw/zinc/35/66/17/506356617.db2.gz HYPSTMCVWBCJAU-INIZCTEOSA-N 1 2 374.531 3.445 20 30 FGEDLO C[C@@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000593045295 506356625 /nfs/dbraw/zinc/35/66/25/506356625.db2.gz HYPSTMCVWBCJAU-INIZCTEOSA-N 1 2 374.531 3.445 20 30 FGEDLO CCn1c(C[NH2+]C[C@H](C#N)CCC#N)nc2cc(Br)ccc21 ZINC000514901062 503223280 /nfs/dbraw/zinc/22/32/80/503223280.db2.gz MPABMBNNGHGJKS-LBPRGKRZSA-N 1 2 360.259 3.352 20 30 FGEDLO N#CC[C@@H]1CCCN(c2nc(N3CCC[C@@H](CC#N)C3)c(Cl)c[nH+]2)C1 ZINC000596331509 506361087 /nfs/dbraw/zinc/36/10/87/506361087.db2.gz YREDQBRJLZPVPL-GJZGRUSLSA-N 1 2 358.877 3.390 20 30 FGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000511157079 503271155 /nfs/dbraw/zinc/27/11/55/503271155.db2.gz ZGZFJYBLKNZUCK-CQSZACIVSA-N 1 2 355.388 3.355 20 30 FGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593056434 506363467 /nfs/dbraw/zinc/36/34/67/506363467.db2.gz JKJDXWKUWIQGDF-SFHVURJKSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000593056434 506363473 /nfs/dbraw/zinc/36/34/73/506363473.db2.gz JKJDXWKUWIQGDF-SFHVURJKSA-N 1 2 357.498 3.440 20 30 FGEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)no1 ZINC000515333821 503316678 /nfs/dbraw/zinc/31/66/78/503316678.db2.gz CQPIHMQYKPMOII-UHFFFAOYSA-N 1 2 366.339 3.356 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3nccs3)CC2)c(C#N)c1C ZINC000602954870 506364843 /nfs/dbraw/zinc/36/48/43/506364843.db2.gz JJDDSCZCFBNPCZ-UHFFFAOYSA-N 1 2 358.467 3.118 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000499575491 503435420 /nfs/dbraw/zinc/43/54/20/503435420.db2.gz MOUMHRATUXHYEJ-VGSWGCGISA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@]12c1ccccc1NC2=O ZINC000499575491 503435422 /nfs/dbraw/zinc/43/54/22/503435422.db2.gz MOUMHRATUXHYEJ-VGSWGCGISA-N 1 2 354.413 3.080 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000512168440 503475437 /nfs/dbraw/zinc/47/54/37/503475437.db2.gz VBVAYNYGSUXAEL-UHFFFAOYSA-N 1 2 357.366 3.400 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000512168440 503475441 /nfs/dbraw/zinc/47/54/41/503475441.db2.gz VBVAYNYGSUXAEL-UHFFFAOYSA-N 1 2 357.366 3.400 20 30 FGEDLO CC(C)n1nccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000499774921 503478996 /nfs/dbraw/zinc/47/89/96/503478996.db2.gz RYIGJLWIBASXSE-IBGZPJMESA-N 1 2 357.889 3.500 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1ccc(CO)o1 ZINC000512182456 503479054 /nfs/dbraw/zinc/47/90/54/503479054.db2.gz SGUJULUJIYDZNI-UHFFFAOYSA-N 1 2 358.438 3.187 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1ccc(CO)o1 ZINC000512182456 503479058 /nfs/dbraw/zinc/47/90/58/503479058.db2.gz SGUJULUJIYDZNI-UHFFFAOYSA-N 1 2 358.438 3.187 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000512215815 503488927 /nfs/dbraw/zinc/48/89/27/503488927.db2.gz YAAKALPXTUWZHS-UHFFFAOYSA-N 1 2 364.405 3.272 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000512215815 503488931 /nfs/dbraw/zinc/48/89/31/503488931.db2.gz YAAKALPXTUWZHS-UHFFFAOYSA-N 1 2 364.405 3.272 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000504078036 503518532 /nfs/dbraw/zinc/51/85/32/503518532.db2.gz QKCASADYAMCUOF-IBGZPJMESA-N 1 2 372.400 3.212 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000512443721 503553544 /nfs/dbraw/zinc/55/35/44/503553544.db2.gz GLFBKLLBRIFBSE-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000512443721 503553546 /nfs/dbraw/zinc/55/35/46/503553546.db2.gz GLFBKLLBRIFBSE-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508733922 503553744 /nfs/dbraw/zinc/55/37/44/503553744.db2.gz OVSMMIMENSXJQE-UHFFFAOYSA-N 1 2 374.492 3.415 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(-c2cnn(C)c2)no1 ZINC000512506318 503572820 /nfs/dbraw/zinc/57/28/20/503572820.db2.gz JWKYFABNQIPJPS-UHFFFAOYSA-N 1 2 354.458 3.431 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(-c2cnn(C)c2)no1 ZINC000512506318 503572822 /nfs/dbraw/zinc/57/28/22/503572822.db2.gz JWKYFABNQIPJPS-UHFFFAOYSA-N 1 2 354.458 3.431 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cnn(C(C)C)c1 ZINC000512511603 503574133 /nfs/dbraw/zinc/57/41/33/503574133.db2.gz JJHGGZYYCKYPQL-UHFFFAOYSA-N 1 2 373.526 3.426 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cnn(C(C)C)c1 ZINC000512511603 503574137 /nfs/dbraw/zinc/57/41/37/503574137.db2.gz JJHGGZYYCKYPQL-UHFFFAOYSA-N 1 2 373.526 3.426 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000504542271 503585873 /nfs/dbraw/zinc/58/58/73/503585873.db2.gz OWIVBEMLQKTIHB-YVMONPNESA-N 1 2 363.436 3.097 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494664319 503586647 /nfs/dbraw/zinc/58/66/47/503586647.db2.gz XRTYAWYXTWPRAY-ZFWWWQNUSA-N 1 2 373.522 3.326 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494664319 503586651 /nfs/dbraw/zinc/58/66/51/503586651.db2.gz XRTYAWYXTWPRAY-ZFWWWQNUSA-N 1 2 373.522 3.326 20 30 FGEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000512614493 503595715 /nfs/dbraw/zinc/59/57/15/503595715.db2.gz PTKXTTSORHSUPQ-UHFFFAOYSA-N 1 2 351.797 3.448 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000494709742 503597928 /nfs/dbraw/zinc/59/79/28/503597928.db2.gz OMGZQWNXFRYQMY-PMACEKPBSA-N 1 2 357.498 3.118 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000516854815 503600813 /nfs/dbraw/zinc/60/08/13/503600813.db2.gz MYCPEXMNKSJKTJ-UHFFFAOYSA-N 1 2 362.477 3.343 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OC(F)(F)O4)CCO2)c1 ZINC000509022083 503622098 /nfs/dbraw/zinc/62/20/98/503622098.db2.gz JWVUWXDTZDVLMS-SFHVURJKSA-N 1 2 358.344 3.453 20 30 FGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OC(F)(F)O4)CCO2)c1 ZINC000509022083 503622099 /nfs/dbraw/zinc/62/20/99/503622099.db2.gz JWVUWXDTZDVLMS-SFHVURJKSA-N 1 2 358.344 3.453 20 30 FGEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2sccc2C#N)CCCC1 ZINC000533058824 503717482 /nfs/dbraw/zinc/71/74/82/503717482.db2.gz QGLZSDUWUCTADU-UHFFFAOYSA-N 1 2 363.483 3.192 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc4cc[nH]c43)CC2)cc1 ZINC000527211303 503721535 /nfs/dbraw/zinc/72/15/35/503721535.db2.gz XYNOSZODPSWHRF-UHFFFAOYSA-N 1 2 373.460 3.067 20 30 FGEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1c(C)nn(C)c1C ZINC000543451354 503775557 /nfs/dbraw/zinc/77/55/57/503775557.db2.gz LSUBBMWXTBSTPW-INIZCTEOSA-N 1 2 350.426 3.200 20 30 FGEDLO C[C@](C#N)(NC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000537130132 503811841 /nfs/dbraw/zinc/81/18/41/503811841.db2.gz WWUWZPHWFYDRGY-MRXNPFEDSA-N 1 2 352.265 3.381 20 30 FGEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 ZINC000546743470 503861762 /nfs/dbraw/zinc/86/17/62/503861762.db2.gz PPXFHOUUXWTJEU-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CC[N@H+](CCC(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000537364778 503890744 /nfs/dbraw/zinc/89/07/44/503890744.db2.gz SQLRDNUNDFFGJO-UHFFFAOYSA-N 1 2 358.442 3.114 20 30 FGEDLO CC[N@@H+](CCC(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000537364778 503890746 /nfs/dbraw/zinc/89/07/46/503890746.db2.gz SQLRDNUNDFFGJO-UHFFFAOYSA-N 1 2 358.442 3.114 20 30 FGEDLO N#Cc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1Cl ZINC000540849726 503913463 /nfs/dbraw/zinc/91/34/63/503913463.db2.gz JBUUDMJACHWKFK-UHFFFAOYSA-N 1 2 364.836 3.429 20 30 FGEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1C#N ZINC000533777083 503949223 /nfs/dbraw/zinc/94/92/23/503949223.db2.gz ZSOPBGGPSYVBMJ-UHFFFAOYSA-N 1 2 363.461 3.284 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683074 504003791 /nfs/dbraw/zinc/00/37/91/504003791.db2.gz CWSRQJHWIUEJHE-LSDHHAIUSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683074 504003798 /nfs/dbraw/zinc/00/37/98/504003798.db2.gz CWSRQJHWIUEJHE-LSDHHAIUSA-N 1 2 372.465 3.479 20 30 FGEDLO N#CCc1ccc(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000541352166 504102021 /nfs/dbraw/zinc/10/20/21/504102021.db2.gz LLJJRWNPOLGHCT-UHFFFAOYSA-N 1 2 353.853 3.250 20 30 FGEDLO N#CCc1ccc(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000541352166 504102026 /nfs/dbraw/zinc/10/20/26/504102026.db2.gz LLJJRWNPOLGHCT-UHFFFAOYSA-N 1 2 353.853 3.250 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000518957849 504102926 /nfs/dbraw/zinc/10/29/26/504102926.db2.gz DAURXUVNAUKLAA-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000518957849 504102930 /nfs/dbraw/zinc/10/29/30/504102930.db2.gz DAURXUVNAUKLAA-IBGZPJMESA-N 1 2 357.498 3.297 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000528502708 504250464 /nfs/dbraw/zinc/25/04/64/504250464.db2.gz KLXNFUPYJPYOMG-FQEVSTJZSA-N 1 2 361.445 3.159 20 30 FGEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000528502708 504250469 /nfs/dbraw/zinc/25/04/69/504250469.db2.gz KLXNFUPYJPYOMG-FQEVSTJZSA-N 1 2 361.445 3.159 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000531503852 504329148 /nfs/dbraw/zinc/32/91/48/504329148.db2.gz DRKJTIXTSYISGH-QGZVFWFLSA-N 1 2 352.344 3.089 20 30 FGEDLO CC(C)C[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000520173105 504425974 /nfs/dbraw/zinc/42/59/74/504425974.db2.gz LDQVAPODPTUCFW-UHFFFAOYSA-N 1 2 360.465 3.251 20 30 FGEDLO CC(C)C[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000520173105 504425976 /nfs/dbraw/zinc/42/59/76/504425976.db2.gz LDQVAPODPTUCFW-UHFFFAOYSA-N 1 2 360.465 3.251 20 30 FGEDLO C=CCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545354081 504457813 /nfs/dbraw/zinc/45/78/13/504457813.db2.gz TVZYOTQVNRNSDF-UHFFFAOYSA-N 1 2 350.260 3.420 20 30 FGEDLO COc1ccc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OCCCC#N ZINC000539835725 504711396 /nfs/dbraw/zinc/71/13/96/504711396.db2.gz QOXZJCJPFOVDFR-UHFFFAOYSA-N 1 2 373.497 3.209 20 30 FGEDLO COc1ccc(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OCCCC#N ZINC000539835725 504711401 /nfs/dbraw/zinc/71/14/01/504711401.db2.gz QOXZJCJPFOVDFR-UHFFFAOYSA-N 1 2 373.497 3.209 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccsc1C(F)(F)F ZINC000529537774 504720846 /nfs/dbraw/zinc/72/08/46/504720846.db2.gz VFVFGUAEQXQVJN-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccsc1C(F)(F)F ZINC000529537774 504720850 /nfs/dbraw/zinc/72/08/50/504720850.db2.gz VFVFGUAEQXQVJN-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549270750 504778491 /nfs/dbraw/zinc/77/84/91/504778491.db2.gz MAUPNOASIFNSJN-UHFFFAOYSA-N 1 2 366.513 3.229 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000565168698 504814357 /nfs/dbraw/zinc/81/43/57/504814357.db2.gz FEIKWUQUBFRHEG-HNNXBMFYSA-N 1 2 353.470 3.390 20 30 FGEDLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565484574 504901433 /nfs/dbraw/zinc/90/14/33/504901433.db2.gz VSMMBFLCGRSICY-QGZVFWFLSA-N 1 2 362.886 3.346 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCC=C4)CC2)cc1 ZINC000556575271 504908228 /nfs/dbraw/zinc/90/82/28/504908228.db2.gz DGFVPAUUYLXSBF-UHFFFAOYSA-N 1 2 357.457 3.476 20 30 FGEDLO N#Cc1cscc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000559710133 504912910 /nfs/dbraw/zinc/91/29/10/504912910.db2.gz ROAUZYPYMDAABL-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1cscc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000559710133 504912914 /nfs/dbraw/zinc/91/29/14/504912914.db2.gz ROAUZYPYMDAABL-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000562703497 504914700 /nfs/dbraw/zinc/91/47/00/504914700.db2.gz BJBIHIJGYSJNNR-WDEREUQCSA-N 1 2 373.482 3.115 20 30 FGEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000549932490 504938548 /nfs/dbraw/zinc/93/85/48/504938548.db2.gz UCJBTNOZEUKSKG-HXUWFJFHSA-N 1 2 355.482 3.124 20 30 FGEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000549932490 504938552 /nfs/dbraw/zinc/93/85/52/504938552.db2.gz UCJBTNOZEUKSKG-HXUWFJFHSA-N 1 2 355.482 3.124 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000553885493 505033050 /nfs/dbraw/zinc/03/30/50/505033050.db2.gz JWKZKOFPGPDLAH-INIZCTEOSA-N 1 2 358.239 3.369 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000553885493 505033051 /nfs/dbraw/zinc/03/30/51/505033051.db2.gz JWKZKOFPGPDLAH-INIZCTEOSA-N 1 2 358.239 3.369 20 30 FGEDLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000553908039 505038710 /nfs/dbraw/zinc/03/87/10/505038710.db2.gz VHBBNYRQLFIJIU-MRXNPFEDSA-N 1 2 364.287 3.201 20 30 FGEDLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000553908039 505038714 /nfs/dbraw/zinc/03/87/14/505038714.db2.gz VHBBNYRQLFIJIU-MRXNPFEDSA-N 1 2 364.287 3.201 20 30 FGEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000560286880 505039824 /nfs/dbraw/zinc/03/98/24/505039824.db2.gz VGKSAYHMDONIMS-UHFFFAOYSA-N 1 2 368.481 3.420 20 30 FGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000554191632 505112824 /nfs/dbraw/zinc/11/28/24/505112824.db2.gz KXOCBCSZRACJKP-ABAIWWIYSA-N 1 2 351.237 3.132 20 30 FGEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000554308378 505141892 /nfs/dbraw/zinc/14/18/92/505141892.db2.gz WPGNPGPOBIXGDL-IBGZPJMESA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000554308378 505141894 /nfs/dbraw/zinc/14/18/94/505141894.db2.gz WPGNPGPOBIXGDL-IBGZPJMESA-N 1 2 372.490 3.424 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000551194409 505175742 /nfs/dbraw/zinc/17/57/42/505175742.db2.gz FAZIJQHYSGKWOE-KRWDZBQOSA-N 1 2 352.344 3.089 20 30 FGEDLO Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C#N)cc1N(C)C ZINC000561136174 505259348 /nfs/dbraw/zinc/25/93/48/505259348.db2.gz BFWPBNVUOPBFEP-QGZVFWFLSA-N 1 2 365.437 3.013 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CCCC1 ZINC000566902312 505306884 /nfs/dbraw/zinc/30/68/84/505306884.db2.gz QRMZOVXVAKLSJI-UHFFFAOYSA-N 1 2 354.498 3.118 20 30 FGEDLO CC(C)N1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1=O ZINC000558169192 505325852 /nfs/dbraw/zinc/32/58/52/505325852.db2.gz FQEKUKZVINZIFP-UHFFFAOYSA-N 1 2 361.489 3.439 20 30 FGEDLO CC(C)N1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1=O ZINC000558169192 505325858 /nfs/dbraw/zinc/32/58/58/505325858.db2.gz FQEKUKZVINZIFP-UHFFFAOYSA-N 1 2 361.489 3.439 20 30 FGEDLO Cc1ccccc1COc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000566977664 505329307 /nfs/dbraw/zinc/32/93/07/505329307.db2.gz XLXXCQWVKGDLML-JOCHJYFZSA-N 1 2 365.477 3.077 20 30 FGEDLO C[C@@H]1CCC[C@@H](OCc2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)C1 ZINC000567043383 505347121 /nfs/dbraw/zinc/34/71/21/505347121.db2.gz TWPRDMCKCDTHRV-DUXKGJEZSA-N 1 2 359.514 3.400 20 30 FGEDLO C[C@@H]1CCC[C@@H](OCc2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)C1 ZINC000567043383 505347125 /nfs/dbraw/zinc/34/71/25/505347125.db2.gz TWPRDMCKCDTHRV-DUXKGJEZSA-N 1 2 359.514 3.400 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000558328079 505360724 /nfs/dbraw/zinc/36/07/24/505360724.db2.gz KPPHZTRMMLSRNQ-KRWDZBQOSA-N 1 2 353.426 3.352 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000567155213 505379138 /nfs/dbraw/zinc/37/91/38/505379138.db2.gz KWDVBAULAHYOGN-UHFFFAOYSA-N 1 2 351.372 3.021 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000567155213 505379145 /nfs/dbraw/zinc/37/91/45/505379145.db2.gz KWDVBAULAHYOGN-UHFFFAOYSA-N 1 2 351.372 3.021 20 30 FGEDLO C=CCn1c(CC)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000564367440 505397086 /nfs/dbraw/zinc/39/70/86/505397086.db2.gz GQPGMBWJIIIILZ-UHFFFAOYSA-N 1 2 354.502 3.164 20 30 FGEDLO CC1(C)CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@](C)(C(F)(F)F)O1 ZINC000552111063 505404212 /nfs/dbraw/zinc/40/42/12/505404212.db2.gz OCGODTKAJJKGQS-INIZCTEOSA-N 1 2 352.360 3.138 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000564398401 505407811 /nfs/dbraw/zinc/40/78/11/505407811.db2.gz LKUOCQYXEAQJNE-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000552270749 505446953 /nfs/dbraw/zinc/44/69/53/505446953.db2.gz BEBKOLZILSFKDF-ROUUACIJSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000552270749 505446955 /nfs/dbraw/zinc/44/69/55/505446955.db2.gz BEBKOLZILSFKDF-ROUUACIJSA-N 1 2 357.454 3.073 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)ccn1 ZINC000564550186 505450562 /nfs/dbraw/zinc/45/05/62/505450562.db2.gz MGKJUFLAAPYPSH-CQSZACIVSA-N 1 2 359.389 3.143 20 30 FGEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)c[nH+]2)C[C@@H](C)O1 ZINC000564557289 505452014 /nfs/dbraw/zinc/45/20/14/505452014.db2.gz CJMJIAGXRCEKJS-CHWSQXEVSA-N 1 2 353.382 3.219 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000552608611 505521048 /nfs/dbraw/zinc/52/10/48/505521048.db2.gz USRDQLOLSRLHNH-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)s1 ZINC000564815187 505528201 /nfs/dbraw/zinc/52/82/01/505528201.db2.gz JBENOEZMZDKUJT-KRWDZBQOSA-N 1 2 357.504 3.026 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C#N ZINC000599263220 506390343 /nfs/dbraw/zinc/39/03/43/506390343.db2.gz DSBCYKOMFBWZPZ-UHFFFAOYSA-N 1 2 372.472 3.235 20 30 FGEDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000588972420 506400950 /nfs/dbraw/zinc/40/09/50/506400950.db2.gz IVLHNXQBAGAWCT-HXUWFJFHSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000588972420 506400954 /nfs/dbraw/zinc/40/09/54/506400954.db2.gz IVLHNXQBAGAWCT-HXUWFJFHSA-N 1 2 372.490 3.424 20 30 FGEDLO COCc1cc(C#N)ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000603269484 506471731 /nfs/dbraw/zinc/47/17/31/506471731.db2.gz UZGNYYMIRFRYFR-SFHVURJKSA-N 1 2 357.479 3.252 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(Cc3ccc(C#N)cc3)n2)O1 ZINC000596614479 506490142 /nfs/dbraw/zinc/49/01/42/506490142.db2.gz YXJSVEHHVKDQAK-OXQOHEQNSA-N 1 2 374.444 3.494 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(Cc3ccc(C#N)cc3)n2)O1 ZINC000596614479 506490147 /nfs/dbraw/zinc/49/01/47/506490147.db2.gz YXJSVEHHVKDQAK-OXQOHEQNSA-N 1 2 374.444 3.494 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(N4CCCC4)c3)CC2)cc1 ZINC000596659169 506516859 /nfs/dbraw/zinc/51/68/59/506516859.db2.gz UCQYQJOGRULWFS-UHFFFAOYSA-N 1 2 374.488 3.116 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000612357893 506543365 /nfs/dbraw/zinc/54/33/65/506543365.db2.gz TYLGAPFIZKTHDJ-VQIMIIECSA-N 1 2 371.872 3.498 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000589520733 506576922 /nfs/dbraw/zinc/57/69/22/506576922.db2.gz VZODGGMWWXCKNI-UHFFFAOYSA-N 1 2 354.479 3.210 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000589520640 506577343 /nfs/dbraw/zinc/57/73/43/506577343.db2.gz NEVOYNAMAQDONG-UHFFFAOYSA-N 1 2 354.479 3.210 20 30 FGEDLO COc1cccc([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000589558668 506586754 /nfs/dbraw/zinc/58/67/54/506586754.db2.gz UQSWBIUROYIXEU-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO COc1cccc([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2[nH+]ccn2C)c1 ZINC000589558669 506586830 /nfs/dbraw/zinc/58/68/30/506586830.db2.gz UQSWBIUROYIXEU-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000599701892 506591019 /nfs/dbraw/zinc/59/10/19/506591019.db2.gz YPHVYUSHLVJHEZ-UHFFFAOYSA-N 1 2 355.388 3.122 20 30 FGEDLO N#Cc1c(F)cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000596827663 506621663 /nfs/dbraw/zinc/62/16/63/506621663.db2.gz QGUDMTJCPWEBGX-UHFFFAOYSA-N 1 2 356.376 3.152 20 30 FGEDLO COc1cccc(OC)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000589820297 506653768 /nfs/dbraw/zinc/65/37/68/506653768.db2.gz KZQHOJOEYDYZPE-LJQANCHMSA-N 1 2 351.450 3.086 20 30 FGEDLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583325810 506719006 /nfs/dbraw/zinc/71/90/06/506719006.db2.gz ZGUAYUYUKJOUTC-YOEHRIQHSA-N 1 2 355.404 3.234 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)CC2(C#N)CC2)cc1 ZINC000590219409 506767238 /nfs/dbraw/zinc/76/72/38/506767238.db2.gz FZIXIDDGJUPXIW-UHFFFAOYSA-N 1 2 366.465 3.395 20 30 FGEDLO CCCn1nccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000597115322 506783024 /nfs/dbraw/zinc/78/30/24/506783024.db2.gz IQPRQZNWGKZYTA-LJQANCHMSA-N 1 2 357.889 3.329 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)OCC)n1 ZINC000600114549 506783981 /nfs/dbraw/zinc/78/39/81/506783981.db2.gz PXDCFUKCDYALKI-UHFFFAOYSA-N 1 2 355.394 3.355 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)OCC)n1 ZINC000600114549 506783983 /nfs/dbraw/zinc/78/39/83/506783983.db2.gz PXDCFUKCDYALKI-UHFFFAOYSA-N 1 2 355.394 3.355 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H](C)CC#N)cc1 ZINC000597155205 506803053 /nfs/dbraw/zinc/80/30/53/506803053.db2.gz VKEMAJUNQPCSFL-KRWDZBQOSA-N 1 2 354.454 3.250 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)NCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000609209471 506814654 /nfs/dbraw/zinc/81/46/54/506814654.db2.gz HGKQQLWZZUUPDV-INIZCTEOSA-N 1 2 364.449 3.273 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000600166907 506817896 /nfs/dbraw/zinc/81/78/96/506817896.db2.gz JQSGRMQPGFQQSV-HXUWFJFHSA-N 1 2 366.396 3.116 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2c(Oc3ccc(F)cc3)nc3ccccn32)C1 ZINC000600166907 506817898 /nfs/dbraw/zinc/81/78/98/506817898.db2.gz JQSGRMQPGFQQSV-HXUWFJFHSA-N 1 2 366.396 3.116 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(C#N)cc1 ZINC000604494640 506850624 /nfs/dbraw/zinc/85/06/24/506850624.db2.gz PJKVQVIMIIRXJS-UHFFFAOYSA-N 1 2 363.461 3.134 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(C#N)cc1 ZINC000604494640 506850634 /nfs/dbraw/zinc/85/06/34/506850634.db2.gz PJKVQVIMIIRXJS-UHFFFAOYSA-N 1 2 363.461 3.134 20 30 FGEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059602 506913860 /nfs/dbraw/zinc/91/38/60/506913860.db2.gz XFZBGHCFYBDIJX-GOEBONIOSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC2(CCCCC2)O1 ZINC000594059602 506913862 /nfs/dbraw/zinc/91/38/62/506913862.db2.gz XFZBGHCFYBDIJX-GOEBONIOSA-N 1 2 359.495 3.149 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(C#N)cc1 ZINC000609634686 506956104 /nfs/dbraw/zinc/95/61/04/506956104.db2.gz QIZHVQPKPBPJNX-IAGOWNOFSA-N 1 2 363.465 3.103 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609682799 506973815 /nfs/dbraw/zinc/97/38/15/506973815.db2.gz CRDXQTWCAJGUES-UHFFFAOYSA-N 1 2 361.405 3.464 20 30 FGEDLO Cc1cc(NC(=O)CC2(C#N)CCOCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000597486660 506975488 /nfs/dbraw/zinc/97/54/88/506975488.db2.gz LHPBQBTYWGDTFY-MRXNPFEDSA-N 1 2 356.470 3.418 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000590831604 506987362 /nfs/dbraw/zinc/98/73/62/506987362.db2.gz CLYBBGHPCOSLSU-SZMVWBNQSA-N 1 2 351.454 3.085 20 30 FGEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000610002265 507067017 /nfs/dbraw/zinc/06/70/17/507067017.db2.gz VDPXJVNGDCOGHG-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000610002265 507067028 /nfs/dbraw/zinc/06/70/28/507067028.db2.gz VDPXJVNGDCOGHG-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708228 507068237 /nfs/dbraw/zinc/06/82/37/507068237.db2.gz VCKSMUOCFQSTHB-MRXNPFEDSA-N 1 2 369.490 3.018 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000591037575 507089705 /nfs/dbraw/zinc/08/97/05/507089705.db2.gz MYVIGAVMFRWOCH-SFHVURJKSA-N 1 2 359.433 3.429 20 30 FGEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000591037575 507089710 /nfs/dbraw/zinc/08/97/10/507089710.db2.gz MYVIGAVMFRWOCH-SFHVURJKSA-N 1 2 359.433 3.429 20 30 FGEDLO N#CC1(C[C@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)CCOCC1 ZINC000600741831 507093447 /nfs/dbraw/zinc/09/34/47/507093447.db2.gz QUGLBFODPXPQMB-HNNXBMFYSA-N 1 2 358.816 3.093 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@H](O)CC2(C#N)CC2)c1 ZINC000600744693 507094945 /nfs/dbraw/zinc/09/49/45/507094945.db2.gz ZJBVWFRQWTZIRA-GOSISDBHSA-N 1 2 356.495 3.242 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@H](O)CC2(C#N)CC2)c1 ZINC000600744693 507094949 /nfs/dbraw/zinc/09/49/49/507094949.db2.gz ZJBVWFRQWTZIRA-GOSISDBHSA-N 1 2 356.495 3.242 20 30 FGEDLO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000610139034 507114642 /nfs/dbraw/zinc/11/46/42/507114642.db2.gz DWBOKNXPGHZIDI-YLJYHZDGSA-N 1 2 354.498 3.354 20 30 FGEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000597856678 507135082 /nfs/dbraw/zinc/13/50/82/507135082.db2.gz IFNVJONTGQMOTD-UHFFFAOYSA-N 1 2 371.872 3.200 20 30 FGEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000597856678 507135090 /nfs/dbraw/zinc/13/50/90/507135090.db2.gz IFNVJONTGQMOTD-UHFFFAOYSA-N 1 2 371.872 3.200 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304146 507184884 /nfs/dbraw/zinc/18/48/84/507184884.db2.gz MPUIYWPDDLPUQM-OXJNMPFZSA-N 1 2 374.444 3.159 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000610485015 507257704 /nfs/dbraw/zinc/25/77/04/507257704.db2.gz QCHOAZXPORSADF-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000610485015 507257707 /nfs/dbraw/zinc/25/77/07/507257707.db2.gz QCHOAZXPORSADF-UHFFFAOYSA-N 1 2 372.490 3.253 20 30 FGEDLO Cc1nc(C[NH+]2CCN(c3ncc(C#N)c4ccsc43)CC2)oc1C ZINC000601114657 507266648 /nfs/dbraw/zinc/26/66/48/507266648.db2.gz UZMSNBDIECVJDW-UHFFFAOYSA-N 1 2 353.451 3.095 20 30 FGEDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601184517 507290619 /nfs/dbraw/zinc/29/06/19/507290619.db2.gz GFRUILZPGJLTOQ-UHFFFAOYSA-N 1 2 367.412 3.451 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000601390919 507354354 /nfs/dbraw/zinc/35/43/54/507354354.db2.gz YLBNPVMVBWBWBW-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000601390919 507354360 /nfs/dbraw/zinc/35/43/60/507354360.db2.gz YLBNPVMVBWBWBW-MOPGFXCFSA-N 1 2 355.388 3.206 20 30 FGEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000614170594 507393073 /nfs/dbraw/zinc/39/30/73/507393073.db2.gz GWQLVGNLEBEMPZ-UHFFFAOYSA-N 1 2 363.461 3.151 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288408 507449423 /nfs/dbraw/zinc/44/94/23/507449423.db2.gz HSPVZRAMHDJBFJ-UHFFFAOYSA-N 1 2 358.348 3.067 20 30 FGEDLO COc1cc(NC2CC[NH+](Cc3ccncc3C#N)CC2)cc(OC)c1 ZINC000592082804 507476566 /nfs/dbraw/zinc/47/65/66/507476566.db2.gz PWBBBZWCZTUYOD-UHFFFAOYSA-N 1 2 352.438 3.047 20 30 FGEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccc1Cl ZINC000601855096 507490632 /nfs/dbraw/zinc/49/06/32/507490632.db2.gz NCEDWIZHCQYCBT-UHFFFAOYSA-N 1 2 372.881 3.090 20 30 FGEDLO CC(C)(C)n1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000595426493 507491346 /nfs/dbraw/zinc/49/13/46/507491346.db2.gz JCAFYJUAYFHXRM-IBGZPJMESA-N 1 2 355.461 3.160 20 30 FGEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596660 507512242 /nfs/dbraw/zinc/51/22/42/507512242.db2.gz RSSQWKQYIIUDPF-DOMZBBRYSA-N 1 2 373.280 3.440 20 30 FGEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596660 507512244 /nfs/dbraw/zinc/51/22/44/507512244.db2.gz RSSQWKQYIIUDPF-DOMZBBRYSA-N 1 2 373.280 3.440 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1C ZINC000592156044 507512692 /nfs/dbraw/zinc/51/26/92/507512692.db2.gz GPFAZJNSHDDOHN-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1C ZINC000592156044 507512697 /nfs/dbraw/zinc/51/26/97/507512697.db2.gz GPFAZJNSHDDOHN-HXUWFJFHSA-N 1 2 355.482 3.051 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000611095379 507515263 /nfs/dbraw/zinc/51/52/63/507515263.db2.gz WXBNHSRIHNMWOV-JKSUJKDBSA-N 1 2 356.470 3.236 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c1C#N ZINC000611127378 507527067 /nfs/dbraw/zinc/52/70/67/507527067.db2.gz OKJUPGMDRAGZDX-FQEVSTJZSA-N 1 2 360.417 3.072 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180611 507550811 /nfs/dbraw/zinc/55/08/11/507550811.db2.gz ZWRWTZKPVJIKJD-OLZOCXBDSA-N 1 2 353.438 3.464 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180611 507550815 /nfs/dbraw/zinc/55/08/15/507550815.db2.gz ZWRWTZKPVJIKJD-OLZOCXBDSA-N 1 2 353.438 3.464 20 30 FGEDLO C=CCCSCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000595549707 507556058 /nfs/dbraw/zinc/55/60/58/507556058.db2.gz LAMDPYSMACFKJM-OAHLLOKOSA-N 1 2 357.470 3.176 20 30 FGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000611194712 507556817 /nfs/dbraw/zinc/55/68/17/507556817.db2.gz CMGWQAKCQWGFND-HNNXBMFYSA-N 1 2 355.219 3.078 20 30 FGEDLO COCC#CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000611194712 507556821 /nfs/dbraw/zinc/55/68/21/507556821.db2.gz CMGWQAKCQWGFND-HNNXBMFYSA-N 1 2 355.219 3.078 20 30 FGEDLO CC(C)C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602092090 507588198 /nfs/dbraw/zinc/58/81/98/507588198.db2.gz DSLFGXROBJGBKW-FQEVSTJZSA-N 1 2 366.465 3.412 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595611261 507590152 /nfs/dbraw/zinc/59/01/52/507590152.db2.gz IMIVUBSXAWTKMW-IRXDYDNUSA-N 1 2 370.497 3.121 20 30 FGEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595611261 507590160 /nfs/dbraw/zinc/59/01/60/507590160.db2.gz IMIVUBSXAWTKMW-IRXDYDNUSA-N 1 2 370.497 3.121 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618209 507594495 /nfs/dbraw/zinc/59/44/95/507594495.db2.gz YYXCMWCDKMRDBW-NWDGAFQWSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618209 507594500 /nfs/dbraw/zinc/59/45/00/507594500.db2.gz YYXCMWCDKMRDBW-NWDGAFQWSA-N 1 2 350.806 3.201 20 30 FGEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631609 507603573 /nfs/dbraw/zinc/60/35/73/507603573.db2.gz FVRQIIQQNAAHIR-INIZCTEOSA-N 1 2 372.538 3.137 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)cc1C ZINC000595632466 507603713 /nfs/dbraw/zinc/60/37/13/507603713.db2.gz XJYRLCMPCLSWCT-CYBMUJFWSA-N 1 2 359.451 3.191 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595632081 507603957 /nfs/dbraw/zinc/60/39/57/507603957.db2.gz LQXLMHJCNWVKBY-MRXNPFEDSA-N 1 2 368.506 3.386 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000595632179 507603999 /nfs/dbraw/zinc/60/39/99/507603999.db2.gz VSQFXPOMGYDOJU-UHFFFAOYSA-N 1 2 374.416 3.415 20 30 FGEDLO CC(C)C[C@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000602181091 507616460 /nfs/dbraw/zinc/61/64/60/507616460.db2.gz NUJKLQLWOWQUCR-HXUWFJFHSA-N 1 2 365.481 3.445 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000595753726 507667877 /nfs/dbraw/zinc/66/78/77/507667877.db2.gz SURCIFGOVPGLMQ-SFHVURJKSA-N 1 2 353.397 3.482 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000595753726 507667882 /nfs/dbraw/zinc/66/78/82/507667882.db2.gz SURCIFGOVPGLMQ-SFHVURJKSA-N 1 2 353.397 3.482 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000595759222 507672225 /nfs/dbraw/zinc/67/22/25/507672225.db2.gz KASUORXJVVSELB-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000595759222 507672229 /nfs/dbraw/zinc/67/22/29/507672229.db2.gz KASUORXJVVSELB-UHFFFAOYSA-N 1 2 367.474 3.308 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000611432334 507679519 /nfs/dbraw/zinc/67/95/19/507679519.db2.gz UGANJSMXFDULMI-IBGZPJMESA-N 1 2 357.498 3.308 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4c(s3)CCCC4)CC2)cc1 ZINC000611446288 507685052 /nfs/dbraw/zinc/68/50/52/507685052.db2.gz FPKIERFQXRREBO-UHFFFAOYSA-N 1 2 352.507 3.211 20 30 FGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595800349 507694024 /nfs/dbraw/zinc/69/40/24/507694024.db2.gz SHGMQCOJORHLHA-HNNXBMFYSA-N 1 2 354.414 3.025 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830371 507705604 /nfs/dbraw/zinc/70/56/04/507705604.db2.gz UHVPWQBJYYMXGW-PZSREKOKSA-N 1 2 372.296 3.059 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833645 507707436 /nfs/dbraw/zinc/70/74/36/507707436.db2.gz IDQABPUALKATTR-GUYCJALGSA-N 1 2 364.287 3.032 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833645 507707437 /nfs/dbraw/zinc/70/74/37/507707437.db2.gz IDQABPUALKATTR-GUYCJALGSA-N 1 2 364.287 3.032 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)n1 ZINC000602433999 507711513 /nfs/dbraw/zinc/71/15/13/507711513.db2.gz NZNSYTGTRLJWKK-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)n1 ZINC000602433999 507711516 /nfs/dbraw/zinc/71/15/16/507711516.db2.gz NZNSYTGTRLJWKK-UHFFFAOYSA-N 1 2 362.355 3.433 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CC(c4nc5ccccc5[nH]4)C3)C2=O)cc1 ZINC000611516640 507717105 /nfs/dbraw/zinc/71/71/05/507717105.db2.gz XOKXQMSCYNRZQN-HXUWFJFHSA-N 1 2 371.444 3.029 20 30 FGEDLO Cn1cc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595885808 507728700 /nfs/dbraw/zinc/72/87/00/507728700.db2.gz JMVHZENCZMWKJN-INIZCTEOSA-N 1 2 364.371 3.112 20 30 FGEDLO Cn1cc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595885808 507728706 /nfs/dbraw/zinc/72/87/06/507728706.db2.gz JMVHZENCZMWKJN-INIZCTEOSA-N 1 2 364.371 3.112 20 30 FGEDLO Cc1ccc(C#N)c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000588009263 507731186 /nfs/dbraw/zinc/73/11/86/507731186.db2.gz CIXIBSYFFRKDTN-MSOLQXFVSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccc(C#N)c(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000588009263 507731189 /nfs/dbraw/zinc/73/11/89/507731189.db2.gz CIXIBSYFFRKDTN-MSOLQXFVSA-N 1 2 356.857 3.399 20 30 FGEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3ccccc3)cc2OC)CC1 ZINC000068444435 695940710 /nfs/dbraw/zinc/94/07/10/695940710.db2.gz BBUYATADEKUDQK-UHFFFAOYSA-N 1 2 354.475 3.205 20 30 FGEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(CC(F)F)CC1 ZINC000128814570 700779808 /nfs/dbraw/zinc/77/98/08/700779808.db2.gz JNXNNCFZHOWNDO-UHFFFAOYSA-N 1 2 352.454 3.155 20 30 FGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(S(C)(=O)=O)c(F)c3)c[nH+]c12 ZINC000132682687 700829893 /nfs/dbraw/zinc/82/98/93/700829893.db2.gz UKFXVVVTKCQKMM-VOTSOKGWSA-N 1 2 358.394 3.081 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174694574 705514688 /nfs/dbraw/zinc/51/46/88/705514688.db2.gz BMFZLOPFKBSKFL-UXHICEINSA-N 1 2 355.869 3.256 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246276436 713620928 /nfs/dbraw/zinc/62/09/28/713620928.db2.gz AOQRYUGSNKKQAP-HUUCEWRRSA-N 1 2 352.910 3.329 20 30 FGEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000246276436 713620931 /nfs/dbraw/zinc/62/09/31/713620931.db2.gz AOQRYUGSNKKQAP-HUUCEWRRSA-N 1 2 352.910 3.329 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[N@H+](C)C1 ZINC000329115040 713827558 /nfs/dbraw/zinc/82/75/58/713827558.db2.gz HZJPTRAKCCYLCY-DZKIICNBSA-N 1 2 368.861 3.205 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[N@@H+](C)C1 ZINC000329115040 713827561 /nfs/dbraw/zinc/82/75/61/713827561.db2.gz HZJPTRAKCCYLCY-DZKIICNBSA-N 1 2 368.861 3.205 20 30 FGEDLO CC[C@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329300090 713828918 /nfs/dbraw/zinc/82/89/18/713828918.db2.gz MGRTTYRBQBVBIS-HIFRSBDPSA-N 1 2 352.504 3.031 20 30 FGEDLO CC[C@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329300090 713828922 /nfs/dbraw/zinc/82/89/22/713828922.db2.gz MGRTTYRBQBVBIS-HIFRSBDPSA-N 1 2 352.504 3.031 20 30 FGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000525639797 714364569 /nfs/dbraw/zinc/36/45/69/714364569.db2.gz ZKGBLBWCMJRQGN-CQSZACIVSA-N 1 2 356.495 3.195 20 30 FGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000525639797 714364573 /nfs/dbraw/zinc/36/45/73/714364573.db2.gz ZKGBLBWCMJRQGN-CQSZACIVSA-N 1 2 356.495 3.195 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000639726469 717595037 /nfs/dbraw/zinc/59/50/37/717595037.db2.gz ARLITMOHVBAOLE-LIRRHRJNSA-N 1 2 361.873 3.029 20 30 FGEDLO O[C@@H](C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F ZINC000644676989 718141068 /nfs/dbraw/zinc/14/10/68/718141068.db2.gz IIRBIRIAICAGTH-BYPYZUCNSA-N 1 2 370.062 3.018 20 30 FGEDLO O=[N+]([O-])c1ccc(N=NCc2cc(-n3cc[nH+]c3)cs2)c([N+](=O)[O-])c1 ZINC000783774089 724789124 /nfs/dbraw/zinc/78/91/24/724789124.db2.gz QOGNIJKWTODGHH-UHFFFAOYSA-N 1 2 358.339 3.196 20 30 FGEDLO Clc1cccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741810930 722549367 /nfs/dbraw/zinc/54/93/67/722549367.db2.gz NKJSKQHLPSJIFP-UHFFFAOYSA-N 1 2 355.829 3.270 20 30 FGEDLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(F)C(F)(F)F ZINC000764455729 723414657 /nfs/dbraw/zinc/41/46/57/723414657.db2.gz FISFIXMBIFADMR-LBPRGKRZSA-N 1 2 374.300 3.496 20 30 FGEDLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](F)C(F)(F)F ZINC000764455729 723414694 /nfs/dbraw/zinc/41/46/94/723414694.db2.gz FISFIXMBIFADMR-LBPRGKRZSA-N 1 2 374.300 3.496 20 30 FGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(N2CCOCC2)cc1Cl ZINC000764696279 723437944 /nfs/dbraw/zinc/43/79/44/723437944.db2.gz IXPNHGBKDBQKRU-UHFFFAOYSA-N 1 2 365.264 3.483 20 30 FGEDLO N#Cc1c(=O)n(C[N@@H+]2CCSC3(CCCCC3)C2)cc2c1CCCC2 ZINC000793503239 723444247 /nfs/dbraw/zinc/44/42/47/723444247.db2.gz GZDDJCGUEWDSQS-UHFFFAOYSA-N 1 2 357.523 3.308 20 30 FGEDLO N#Cc1c(=O)n(C[N@H+]2CCSC3(CCCCC3)C2)cc2c1CCCC2 ZINC000793503239 723444249 /nfs/dbraw/zinc/44/42/49/723444249.db2.gz GZDDJCGUEWDSQS-UHFFFAOYSA-N 1 2 357.523 3.308 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000778151497 724304042 /nfs/dbraw/zinc/30/40/42/724304042.db2.gz MDBNRMNLESPHGL-UHFFFAOYSA-N 1 2 364.779 3.359 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000778174351 724306725 /nfs/dbraw/zinc/30/67/25/724306725.db2.gz RTXBKKOWNZKFFU-UHFFFAOYSA-N 1 2 357.763 3.401 20 30 FGEDLO C#CCN(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000785935282 724949445 /nfs/dbraw/zinc/94/94/45/724949445.db2.gz KMQOZXLKLIFSMZ-UHFFFAOYSA-N 1 2 359.901 3.286 20 30 FGEDLO C#CCN(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000785935282 724949448 /nfs/dbraw/zinc/94/94/48/724949448.db2.gz KMQOZXLKLIFSMZ-UHFFFAOYSA-N 1 2 359.901 3.286 20 30 FGEDLO CC1(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)OCCO1 ZINC000805749540 725091139 /nfs/dbraw/zinc/09/11/39/725091139.db2.gz ZIIUHNMVTOEJLE-UHFFFAOYSA-N 1 2 365.271 3.296 20 30 FGEDLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000811462573 725367038 /nfs/dbraw/zinc/36/70/38/725367038.db2.gz ZKFKCQVFHLLEEM-GFCCVEGCSA-N 1 2 350.488 3.140 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811506533 725370754 /nfs/dbraw/zinc/37/07/54/725370754.db2.gz WYLPCNJZBWILJG-CQSZACIVSA-N 1 2 350.488 3.284 20 30 FGEDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811506533 725370756 /nfs/dbraw/zinc/37/07/56/725370756.db2.gz WYLPCNJZBWILJG-CQSZACIVSA-N 1 2 350.488 3.284 20 30 FGEDLO C=CCn1c(C)nn(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1=S ZINC000811783714 725380035 /nfs/dbraw/zinc/38/00/35/725380035.db2.gz IIVYRWFEJZQIFG-QGZVFWFLSA-N 1 2 355.511 3.003 20 30 FGEDLO C=CCn1c(C)nn(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1=S ZINC000811783714 725380036 /nfs/dbraw/zinc/38/00/36/725380036.db2.gz IIVYRWFEJZQIFG-QGZVFWFLSA-N 1 2 355.511 3.003 20 30 FGEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(F)cc2Br)cc1 ZINC000812462556 725397722 /nfs/dbraw/zinc/39/77/22/725397722.db2.gz WKXJPEOZVPWACT-UHFFFAOYSA-N 1 2 366.234 3.463 20 30 FGEDLO Cn1ncc(C=[NH+]Nc2ccc(Br)cc2C(F)(F)F)c1N ZINC000814843850 727005321 /nfs/dbraw/zinc/00/53/21/727005321.db2.gz RCLJILYALBMIFG-UHFFFAOYSA-N 1 2 362.153 3.230 20 30 FGEDLO C=C(Br)C[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000818979627 727333289 /nfs/dbraw/zinc/33/32/89/727333289.db2.gz SIHWMVKWNODHBV-UHFFFAOYSA-N 1 2 360.317 3.256 20 30 FGEDLO O=C(C#Cc1cccs1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000824490064 729342780 /nfs/dbraw/zinc/34/27/80/729342780.db2.gz UCUIBJILVLZIHZ-UHFFFAOYSA-N 1 2 358.894 3.488 20 30 FGEDLO O=C(C#Cc1cccs1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000824490064 729342781 /nfs/dbraw/zinc/34/27/81/729342781.db2.gz UCUIBJILVLZIHZ-UHFFFAOYSA-N 1 2 358.894 3.488 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C#Cc2cccs2)C[C@H](C)O1 ZINC000825290060 729377184 /nfs/dbraw/zinc/37/71/84/729377184.db2.gz MXHNPILRRYOJKQ-IYBDPMFKSA-N 1 2 354.475 3.348 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C#Cc2cccs2)C[C@H](C)O1 ZINC000825290060 729377186 /nfs/dbraw/zinc/37/71/86/729377186.db2.gz MXHNPILRRYOJKQ-IYBDPMFKSA-N 1 2 354.475 3.348 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C#Cc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827709219 729433645 /nfs/dbraw/zinc/43/36/45/729433645.db2.gz UYVNPNUGCMDYSR-FUHWJXTLSA-N 1 2 362.857 3.454 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C#Cc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827709219 729433646 /nfs/dbraw/zinc/43/36/46/729433646.db2.gz UYVNPNUGCMDYSR-FUHWJXTLSA-N 1 2 362.857 3.454 20 30 FGEDLO C#Cc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000836542570 729959788 /nfs/dbraw/zinc/95/97/88/729959788.db2.gz OACJSQOPVJAQIA-MRXNPFEDSA-N 1 2 353.491 3.318 20 30 FGEDLO Cc1cc(Br)cn2cc(CCNC(=O)C#CC(C)(C)C)[nH+]c12 ZINC000837528237 730038430 /nfs/dbraw/zinc/03/84/30/730038430.db2.gz FUWBXLVUQFMTMA-UHFFFAOYSA-N 1 2 362.271 3.113 20 30 FGEDLO CO[C@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000841614560 730260190 /nfs/dbraw/zinc/26/01/90/730260190.db2.gz PCQDMNLXHQMEIS-UKRRQHHQSA-N 1 2 366.874 3.109 20 30 FGEDLO C#CCCCOc1cccnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000853259706 731689096 /nfs/dbraw/zinc/68/90/96/731689096.db2.gz OIXKRLPFMNFFJI-UHFFFAOYSA-N 1 2 356.495 3.043 20 30 FGEDLO C#CCCCOc1cccnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000853259706 731689099 /nfs/dbraw/zinc/68/90/99/731689099.db2.gz OIXKRLPFMNFFJI-UHFFFAOYSA-N 1 2 356.495 3.043 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000853983582 731781162 /nfs/dbraw/zinc/78/11/62/731781162.db2.gz COAKREHFHUKXTI-OAHLLOKOSA-N 1 2 350.340 3.437 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cccc(C#N)c1O ZINC000866474436 733354500 /nfs/dbraw/zinc/35/45/00/733354500.db2.gz OZSVDOQLLPPJBF-CQSZACIVSA-N 1 2 354.479 3.063 20 30 FGEDLO COc1cccc([C@H]2CN(C(=O)c3ccc(C#N)c(Cl)c3)CC[NH2+]2)c1 ZINC000870153386 733817588 /nfs/dbraw/zinc/81/75/88/733817588.db2.gz UHLDNFAYHFVJMC-GOSISDBHSA-N 1 2 355.825 3.007 20 30 FGEDLO C=C(Br)C[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877020571 736176762 /nfs/dbraw/zinc/17/67/62/736176762.db2.gz YEYVFGAKUDWBNX-UHFFFAOYSA-N 1 2 372.263 3.007 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000877126129 736190127 /nfs/dbraw/zinc/19/01/27/736190127.db2.gz YOUVOLLLYNXWCJ-CQSZACIVSA-N 1 2 355.747 3.449 20 30 FGEDLO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007641 737097745 /nfs/dbraw/zinc/09/77/45/737097745.db2.gz KQXNJFYNODSDSW-TZMCWYRMSA-N 1 2 358.467 3.350 20 30 FGEDLO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007641 737097749 /nfs/dbraw/zinc/09/77/49/737097749.db2.gz KQXNJFYNODSDSW-TZMCWYRMSA-N 1 2 358.467 3.350 20 30 FGEDLO C=CCC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000886778459 739298084 /nfs/dbraw/zinc/29/80/84/739298084.db2.gz BKRACCSWHVNRBN-UHFFFAOYSA-N 1 2 355.232 3.260 20 30 FGEDLO Cc1ccnc(N)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000894603707 742304715 /nfs/dbraw/zinc/30/47/15/742304715.db2.gz YJFWBKOWIHOXCI-SFHVURJKSA-N 1 2 355.873 3.008 20 30 FGEDLO C#C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Br)cc1 ZINC000894871893 742345815 /nfs/dbraw/zinc/34/58/15/742345815.db2.gz XUBXBXBYCXORBN-AWEZNQCLSA-N 1 2 354.198 3.375 20 30 FGEDLO CSCc1cnc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655306 742578380 /nfs/dbraw/zinc/57/83/80/742578380.db2.gz WPBXVUMVCGKZLW-CQSZACIVSA-N 1 2 359.524 3.349 20 30 FGEDLO CSCc1cnc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655306 742578385 /nfs/dbraw/zinc/57/83/85/742578385.db2.gz WPBXVUMVCGKZLW-CQSZACIVSA-N 1 2 359.524 3.349 20 30 FGEDLO C=CCN(CC(F)(F)F)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900425016 743111131 /nfs/dbraw/zinc/11/11/31/743111131.db2.gz KNJTURRJMUVUQR-UHFFFAOYSA-N 1 2 352.360 3.186 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000917401890 758217363 /nfs/dbraw/zinc/21/73/63/758217363.db2.gz DQXKNNQEXXSWHS-UHFFFAOYSA-N 1 2 362.813 3.347 20 30 FGEDLO N#C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000932158827 761070337 /nfs/dbraw/zinc/07/03/37/761070337.db2.gz OZCPXHDHGNJNRA-LLVKDONJSA-N 1 2 354.223 3.152 20 30 FGEDLO N#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000932158827 761070350 /nfs/dbraw/zinc/07/03/50/761070350.db2.gz OZCPXHDHGNJNRA-LLVKDONJSA-N 1 2 354.223 3.152 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001014466148 765782440 /nfs/dbraw/zinc/78/24/40/765782440.db2.gz BALXBRXSJDZOOW-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001014466148 765782445 /nfs/dbraw/zinc/78/24/45/765782445.db2.gz BALXBRXSJDZOOW-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001015815725 765803982 /nfs/dbraw/zinc/80/39/82/765803982.db2.gz AZGRMHZVPINDBL-KMFMINBZSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001015815725 765803988 /nfs/dbraw/zinc/80/39/88/765803988.db2.gz AZGRMHZVPINDBL-KMFMINBZSA-N 1 2 368.930 3.463 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038267678 766270665 /nfs/dbraw/zinc/27/06/65/766270665.db2.gz YHTKQULIMUZMHR-NFAWXSAZSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038267678 766270673 /nfs/dbraw/zinc/27/06/73/766270673.db2.gz YHTKQULIMUZMHR-NFAWXSAZSA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3OCC[C@H]3CC)cccc2C1 ZINC001051290935 766883669 /nfs/dbraw/zinc/88/36/69/766883669.db2.gz VNMPJRYPACYGAU-BEFAXECRSA-N 1 2 362.901 3.229 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3OCC[C@H]3CC)cccc2C1 ZINC001051290935 766883678 /nfs/dbraw/zinc/88/36/78/766883678.db2.gz VNMPJRYPACYGAU-BEFAXECRSA-N 1 2 362.901 3.229 20 30 FGEDLO C#CCNC(=O)CC[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000779043922 724384113 /nfs/dbraw/zinc/38/41/13/724384113.db2.gz ZRYRRSUURRUDJI-IBGZPJMESA-N 1 2 362.807 3.437 20 30 FGEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000579773351 505617114 /nfs/dbraw/zinc/61/71/14/505617114.db2.gz KLVSMOMBTLVCJU-UHFFFAOYSA-N 1 2 369.465 3.134 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832036 493783443 /nfs/dbraw/zinc/78/34/43/493783443.db2.gz XVFXWOFLNFNOAH-QGZVFWFLSA-N 1 2 373.472 3.496 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832036 493783445 /nfs/dbraw/zinc/78/34/45/493783445.db2.gz XVFXWOFLNFNOAH-QGZVFWFLSA-N 1 2 373.472 3.496 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080964174 493801323 /nfs/dbraw/zinc/80/13/23/493801323.db2.gz KYIHSCOABTYMCA-INIZCTEOSA-N 1 2 367.449 3.168 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1O ZINC000080964174 493801328 /nfs/dbraw/zinc/80/13/28/493801328.db2.gz KYIHSCOABTYMCA-INIZCTEOSA-N 1 2 367.449 3.168 20 30 FGEDLO CCOc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029226196 493826996 /nfs/dbraw/zinc/82/69/96/493826996.db2.gz BPKWYQUSLZOXOI-UHFFFAOYSA-N 1 2 352.438 3.145 20 30 FGEDLO CC[N@H+](CCCNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000029777384 493857932 /nfs/dbraw/zinc/85/79/32/493857932.db2.gz OEKPCZPHHNVMSB-QGZVFWFLSA-N 1 2 351.450 3.358 20 30 FGEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000029777384 493857934 /nfs/dbraw/zinc/85/79/34/493857934.db2.gz OEKPCZPHHNVMSB-QGZVFWFLSA-N 1 2 351.450 3.358 20 30 FGEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820507 493860085 /nfs/dbraw/zinc/86/00/85/493860085.db2.gz QUWGCYMKEFMEEX-OAHLLOKOSA-N 1 2 370.280 3.089 20 30 FGEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820507 493860088 /nfs/dbraw/zinc/86/00/88/493860088.db2.gz QUWGCYMKEFMEEX-OAHLLOKOSA-N 1 2 370.280 3.089 20 30 FGEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000076345900 493871770 /nfs/dbraw/zinc/87/17/70/493871770.db2.gz JALSOAVDSLHWPR-QGZVFWFLSA-N 1 2 358.486 3.141 20 30 FGEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000076345900 493871775 /nfs/dbraw/zinc/87/17/75/493871775.db2.gz JALSOAVDSLHWPR-QGZVFWFLSA-N 1 2 358.486 3.141 20 30 FGEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000050991641 493941868 /nfs/dbraw/zinc/94/18/68/493941868.db2.gz PFOLDOSWJDIRBO-UHFFFAOYSA-N 1 2 372.494 3.307 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000076874119 493982680 /nfs/dbraw/zinc/98/26/80/493982680.db2.gz VQKXBPNFRAKMHY-CYBMUJFWSA-N 1 2 357.376 3.025 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000076874119 493982684 /nfs/dbraw/zinc/98/26/84/493982684.db2.gz VQKXBPNFRAKMHY-CYBMUJFWSA-N 1 2 357.376 3.025 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1C ZINC000083406045 494014884 /nfs/dbraw/zinc/01/48/84/494014884.db2.gz SSZIIPZXWCYRDW-LJQANCHMSA-N 1 2 360.498 3.134 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297803 494041208 /nfs/dbraw/zinc/04/12/08/494041208.db2.gz GVWORLKAFFSLSX-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297803 494041211 /nfs/dbraw/zinc/04/12/11/494041211.db2.gz GVWORLKAFFSLSX-UHFFFAOYSA-N 1 2 361.348 3.500 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1F ZINC000077499419 494097610 /nfs/dbraw/zinc/09/76/10/494097610.db2.gz IJIAGSOFKDHYEY-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO Cc1ncc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000053145554 494098606 /nfs/dbraw/zinc/09/86/06/494098606.db2.gz RTGAYAMBSSHXKB-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO Cc1ncc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)s1 ZINC000053145554 494098609 /nfs/dbraw/zinc/09/86/09/494098609.db2.gz RTGAYAMBSSHXKB-UHFFFAOYSA-N 1 2 356.495 3.447 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)C[C@H](C)C#N ZINC000064249125 494109706 /nfs/dbraw/zinc/10/97/06/494109706.db2.gz ZRFXPZUSXJYJTQ-GOSISDBHSA-N 1 2 365.477 3.363 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccc(COc2ccccc2)cc1)C[C@H](C)C#N ZINC000064249125 494109709 /nfs/dbraw/zinc/10/97/09/494109709.db2.gz ZRFXPZUSXJYJTQ-GOSISDBHSA-N 1 2 365.477 3.363 20 30 FGEDLO N#CCN(CC#N)C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000072059674 494121661 /nfs/dbraw/zinc/12/16/61/494121661.db2.gz ZGWXSPUXXGOQTR-UHFFFAOYSA-N 1 2 361.430 3.116 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C#N)c3)cn2c1 ZINC000042475259 494222884 /nfs/dbraw/zinc/22/28/84/494222884.db2.gz WUZCBKFDOTZBGO-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043161257 494272189 /nfs/dbraw/zinc/27/21/89/494272189.db2.gz AROHBLRISIQXCE-UHFFFAOYSA-N 1 2 371.934 3.210 20 30 FGEDLO CSc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000072920104 494284186 /nfs/dbraw/zinc/28/41/86/494284186.db2.gz MOODDUUSFHIHHF-SNVBAGLBSA-N 1 2 364.496 3.032 20 30 FGEDLO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000078595751 494326426 /nfs/dbraw/zinc/32/64/26/494326426.db2.gz CNRSNSCIFMQZKW-UHFFFAOYSA-N 1 2 370.478 3.475 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2CC(C)C)c1C ZINC000073167057 494332004 /nfs/dbraw/zinc/33/20/04/494332004.db2.gz QJMTZXSJUCVYAD-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2CC(C)C)c1C ZINC000073167057 494332008 /nfs/dbraw/zinc/33/20/08/494332008.db2.gz QJMTZXSJUCVYAD-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1F ZINC000045027242 494392181 /nfs/dbraw/zinc/39/21/81/494392181.db2.gz DLENUAFPMCUDEV-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC#Cc1ccccc1 ZINC000073571455 494393042 /nfs/dbraw/zinc/39/30/42/494393042.db2.gz HPBDHORSFXXKSL-UHFFFAOYSA-N 1 2 358.445 3.125 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000079182289 494415492 /nfs/dbraw/zinc/41/54/92/494415492.db2.gz OGVHCPAKCWZJJY-UHFFFAOYSA-N 1 2 351.454 3.141 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1cccs1 ZINC000019540561 494448762 /nfs/dbraw/zinc/44/87/62/494448762.db2.gz IDUXHDBKGZRFMM-UHFFFAOYSA-N 1 2 371.506 3.142 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1cccs1 ZINC000019540561 494448766 /nfs/dbraw/zinc/44/87/66/494448766.db2.gz IDUXHDBKGZRFMM-UHFFFAOYSA-N 1 2 371.506 3.142 20 30 FGEDLO COCCN(CCC#N)C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090549963 494480610 /nfs/dbraw/zinc/48/06/10/494480610.db2.gz XVLVOIBLVOTMHR-UHFFFAOYSA-N 1 2 368.481 3.473 20 30 FGEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1F ZINC000079889607 494544037 /nfs/dbraw/zinc/54/40/37/494544037.db2.gz YFYKBYBYYMJZIN-LJQANCHMSA-N 1 2 354.425 3.454 20 30 FGEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1F ZINC000079889607 494544042 /nfs/dbraw/zinc/54/40/42/494544042.db2.gz YFYKBYBYYMJZIN-LJQANCHMSA-N 1 2 354.425 3.454 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000056802022 494566615 /nfs/dbraw/zinc/56/66/15/494566615.db2.gz ZHJIZSUIJCZARR-UHFFFAOYSA-N 1 2 370.478 3.368 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000121108673 494600848 /nfs/dbraw/zinc/60/08/48/494600848.db2.gz VWSLZZNMAITSHT-QGZVFWFLSA-N 1 2 365.437 3.141 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4o3)cnc12 ZINC000580312252 505730621 /nfs/dbraw/zinc/73/06/21/505730621.db2.gz BTOMVYFMBSXNCY-KRWDZBQOSA-N 1 2 358.405 3.469 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4o3)cnc12 ZINC000580312252 505730623 /nfs/dbraw/zinc/73/06/23/505730623.db2.gz BTOMVYFMBSXNCY-KRWDZBQOSA-N 1 2 358.405 3.469 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000126040371 494614890 /nfs/dbraw/zinc/61/48/90/494614890.db2.gz VIBISWBHRWKCHD-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000126040371 494614897 /nfs/dbraw/zinc/61/48/97/494614897.db2.gz VIBISWBHRWKCHD-GOSISDBHSA-N 1 2 353.422 3.116 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000107937381 494623722 /nfs/dbraw/zinc/62/37/22/494623722.db2.gz SWXGOUNYVPJECB-UHFFFAOYSA-N 1 2 363.465 3.285 20 30 FGEDLO N#CCSCCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000074980806 494668336 /nfs/dbraw/zinc/66/83/36/494668336.db2.gz KMPAMRIFLUZHGG-UHFFFAOYSA-N 1 2 357.445 3.470 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3snc(Cl)c3C#N)CC2)cc1F ZINC000047405269 494699969 /nfs/dbraw/zinc/69/99/69/494699969.db2.gz QADWZVMBRKIMDE-UHFFFAOYSA-N 1 2 366.849 3.138 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000091918050 494722155 /nfs/dbraw/zinc/72/21/55/494722155.db2.gz YUFNOYHBAMFKRE-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC000025494661 494749022 /nfs/dbraw/zinc/74/90/22/494749022.db2.gz WLBOWLOXRAFNHS-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000108638971 494755419 /nfs/dbraw/zinc/75/54/19/494755419.db2.gz XSEXDUYPIDNHSX-UHFFFAOYSA-N 1 2 372.837 3.413 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@@H](C#N)C4CC4)cc3)cn2c1 ZINC000108828060 494793895 /nfs/dbraw/zinc/79/38/95/494793895.db2.gz GPCXPWRXEHCDKR-IBGZPJMESA-N 1 2 360.417 3.254 20 30 FGEDLO COc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)Cc3csc(C)n3)n2)cc1 ZINC000132056283 494809515 /nfs/dbraw/zinc/80/95/15/494809515.db2.gz RPYXYOBBGNTCMC-SNVBAGLBSA-N 1 2 373.438 3.103 20 30 FGEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1OCCc2ccccc21 ZINC000075681569 494814287 /nfs/dbraw/zinc/81/42/87/494814287.db2.gz WZOLMNXMHBKHDM-LJQANCHMSA-N 1 2 360.417 3.354 20 30 FGEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1OCCc2ccccc21 ZINC000075681569 494814292 /nfs/dbraw/zinc/81/42/92/494814292.db2.gz WZOLMNXMHBKHDM-LJQANCHMSA-N 1 2 360.417 3.354 20 30 FGEDLO C=CCNc1ncc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000126743358 494829906 /nfs/dbraw/zinc/82/99/06/494829906.db2.gz NSXQSPAIWDBSJD-UHFFFAOYSA-N 1 2 357.483 3.056 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000126993488 494875166 /nfs/dbraw/zinc/87/51/66/494875166.db2.gz YQYPHLLEVRUZFT-RBUKOAKNSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000126993488 494875169 /nfs/dbraw/zinc/87/51/69/494875169.db2.gz YQYPHLLEVRUZFT-RBUKOAKNSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCCCC#N)c1 ZINC000093365390 494879733 /nfs/dbraw/zinc/87/97/33/494879733.db2.gz VNFOJVLLOVLMOG-UHFFFAOYSA-N 1 2 363.421 3.446 20 30 FGEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc(OCCCC#N)c1 ZINC000093365390 494879735 /nfs/dbraw/zinc/87/97/35/494879735.db2.gz VNFOJVLLOVLMOG-UHFFFAOYSA-N 1 2 363.421 3.446 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132791142 494925467 /nfs/dbraw/zinc/92/54/67/494925467.db2.gz IQFUUMAUHDIGEG-OAHLLOKOSA-N 1 2 369.490 3.450 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132791142 494925469 /nfs/dbraw/zinc/92/54/69/494925469.db2.gz IQFUUMAUHDIGEG-OAHLLOKOSA-N 1 2 369.490 3.450 20 30 FGEDLO CC(C)c1nc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc[nH+]1 ZINC000110128908 494951809 /nfs/dbraw/zinc/95/18/09/494951809.db2.gz CMOPKVLISSAFOQ-UHFFFAOYSA-N 1 2 364.409 3.046 20 30 FGEDLO N#Cc1ccccc1N1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117756367 494952876 /nfs/dbraw/zinc/95/28/76/494952876.db2.gz SSLKILHRAHZQAP-UHFFFAOYSA-N 1 2 371.444 3.096 20 30 FGEDLO C=CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000111256875 495054908 /nfs/dbraw/zinc/05/49/08/495054908.db2.gz KMTUDVYPCLNJLQ-UHFFFAOYSA-N 1 2 368.231 3.194 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000122968694 495061265 /nfs/dbraw/zinc/06/12/65/495061265.db2.gz YXXRBCIKBBPQEE-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO COc1ccc([C@@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128424886 495094910 /nfs/dbraw/zinc/09/49/10/495094910.db2.gz LNZIRVDRESPCHJ-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO COc1ccc([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128424886 495094914 /nfs/dbraw/zinc/09/49/14/495094914.db2.gz LNZIRVDRESPCHJ-OAHLLOKOSA-N 1 2 358.463 3.034 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112077755 495142456 /nfs/dbraw/zinc/14/24/56/495142456.db2.gz YJWRAUJRDYGWQP-UHFFFAOYSA-N 1 2 359.433 3.372 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(Br)c1 ZINC000102639621 495149245 /nfs/dbraw/zinc/14/92/45/495149245.db2.gz NFXRWZJOCUCSPV-OAHLLOKOSA-N 1 2 369.222 3.020 20 30 FGEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000112206352 495154284 /nfs/dbraw/zinc/15/42/84/495154284.db2.gz YWAIKVYZHGXCGN-UHFFFAOYSA-N 1 2 372.384 3.114 20 30 FGEDLO C=C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000123851503 495197670 /nfs/dbraw/zinc/19/76/70/495197670.db2.gz QXKCRLJUSKGPFC-IBGZPJMESA-N 1 2 364.489 3.495 20 30 FGEDLO CN(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(C#N)CCCCC1 ZINC000135222325 495264944 /nfs/dbraw/zinc/26/49/44/495264944.db2.gz ZAXXQQYBBHWDOS-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO CN(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(C#N)CCCCC1 ZINC000135222325 495264949 /nfs/dbraw/zinc/26/49/49/495264949.db2.gz ZAXXQQYBBHWDOS-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000135353091 495280830 /nfs/dbraw/zinc/28/08/30/495280830.db2.gz OXIIJPKVOJKWJU-UHFFFAOYSA-N 1 2 363.417 3.376 20 30 FGEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000124404172 495281717 /nfs/dbraw/zinc/28/17/17/495281717.db2.gz ARUFHUYDOCWEIE-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000124404172 495281719 /nfs/dbraw/zinc/28/17/19/495281719.db2.gz ARUFHUYDOCWEIE-SFHVURJKSA-N 1 2 355.825 3.051 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)c1 ZINC000104714847 495300378 /nfs/dbraw/zinc/30/03/78/495300378.db2.gz KMNTZRPHINFPFL-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000120444453 495379568 /nfs/dbraw/zinc/37/95/68/495379568.db2.gz BGVIBAFMTGLHIQ-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000120444453 495379571 /nfs/dbraw/zinc/37/95/71/495379571.db2.gz BGVIBAFMTGLHIQ-UHFFFAOYSA-N 1 2 371.462 3.175 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000125073719 495386396 /nfs/dbraw/zinc/38/63/96/495386396.db2.gz ALRGMOLLNWBYDZ-ORAYPTAESA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@](C)(O)C1 ZINC000125073719 495386399 /nfs/dbraw/zinc/38/63/99/495386399.db2.gz ALRGMOLLNWBYDZ-ORAYPTAESA-N 1 2 361.511 3.062 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C)o1 ZINC000125266245 495416265 /nfs/dbraw/zinc/41/62/65/495416265.db2.gz TWGKIWPQNCSYLI-UHFFFAOYSA-N 1 2 373.478 3.291 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(C)o1 ZINC000125266245 495416268 /nfs/dbraw/zinc/41/62/68/495416268.db2.gz TWGKIWPQNCSYLI-UHFFFAOYSA-N 1 2 373.478 3.291 20 30 FGEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000114802548 495427288 /nfs/dbraw/zinc/42/72/88/495427288.db2.gz BBYSTAKMBNYWOO-MRXNPFEDSA-N 1 2 355.438 3.445 20 30 FGEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000114802548 495427290 /nfs/dbraw/zinc/42/72/90/495427290.db2.gz BBYSTAKMBNYWOO-MRXNPFEDSA-N 1 2 355.438 3.445 20 30 FGEDLO C=CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000130975046 495473840 /nfs/dbraw/zinc/47/38/40/495473840.db2.gz SZQOEFBTUXNGNF-SFTDATJTSA-N 1 2 370.541 3.115 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000130986058 495476012 /nfs/dbraw/zinc/47/60/12/495476012.db2.gz JQIUHFYWSJBSCR-RDTXWAMCSA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000130986058 495476016 /nfs/dbraw/zinc/47/60/16/495476016.db2.gz JQIUHFYWSJBSCR-RDTXWAMCSA-N 1 2 353.422 3.462 20 30 FGEDLO CCC(C)(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000121014669 495503121 /nfs/dbraw/zinc/50/31/21/495503121.db2.gz VSZVUMGALDOZQR-UHFFFAOYSA-N 1 2 357.498 3.062 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000176266557 495570460 /nfs/dbraw/zinc/57/04/60/495570460.db2.gz SKZVXCRICPWXIE-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000170819272 495613548 /nfs/dbraw/zinc/61/35/48/495613548.db2.gz MLDLJUAHMOQIOV-SFHVURJKSA-N 1 2 366.465 3.015 20 30 FGEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000170819272 495613551 /nfs/dbraw/zinc/61/35/51/495613551.db2.gz MLDLJUAHMOQIOV-SFHVURJKSA-N 1 2 366.465 3.015 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170955264 495667646 /nfs/dbraw/zinc/66/76/46/495667646.db2.gz UPBSMYGHMBDXDU-INIZCTEOSA-N 1 2 371.444 3.302 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000170955264 495667654 /nfs/dbraw/zinc/66/76/54/495667654.db2.gz UPBSMYGHMBDXDU-INIZCTEOSA-N 1 2 371.444 3.302 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000171087520 495719372 /nfs/dbraw/zinc/71/93/72/495719372.db2.gz JSAIYLFCOHQDLC-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000176778815 495780876 /nfs/dbraw/zinc/78/08/76/495780876.db2.gz CDYCEGVWJSALRV-UHFFFAOYSA-N 1 2 371.268 3.073 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCc2nc([C@H](C)OCC(C)C)no2)ccc1F ZINC000174115228 495826345 /nfs/dbraw/zinc/82/63/45/495826345.db2.gz FVHKDYASQABOSS-LBPRGKRZSA-N 1 2 350.394 3.088 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000174234450 495874692 /nfs/dbraw/zinc/87/46/92/495874692.db2.gz CTGLQXJURQKLMJ-QGZVFWFLSA-N 1 2 371.481 3.159 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174333651 495914794 /nfs/dbraw/zinc/91/47/94/495914794.db2.gz XVXUWPCYTZIWMR-KBPBESRZSA-N 1 2 360.433 3.339 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3sccc3C#N)CC2)c1 ZINC000171586956 495938749 /nfs/dbraw/zinc/93/87/49/495938749.db2.gz UZZHNHLJEPZAFB-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)on1 ZINC000577907468 505816147 /nfs/dbraw/zinc/81/61/47/505816147.db2.gz BQZHOZFLNQASEY-UHFFFAOYSA-N 1 2 364.371 3.191 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1C#N ZINC000183618347 496051642 /nfs/dbraw/zinc/05/16/42/496051642.db2.gz ZVLPLHDXTFXVBP-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161018489 496086808 /nfs/dbraw/zinc/08/68/08/496086808.db2.gz ATDYIBKSTMZHLO-UHFFFAOYSA-N 1 2 350.397 3.344 20 30 FGEDLO CC(C)[N@H+](Cc1ccc(F)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161018489 496086814 /nfs/dbraw/zinc/08/68/14/496086814.db2.gz ATDYIBKSTMZHLO-UHFFFAOYSA-N 1 2 350.397 3.344 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)s1 ZINC000161178567 496121610 /nfs/dbraw/zinc/12/16/10/496121610.db2.gz VBHAJWPZSQYANO-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)s1 ZINC000161178567 496121613 /nfs/dbraw/zinc/12/16/13/496121613.db2.gz VBHAJWPZSQYANO-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO CC(C)COC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccco1 ZINC000184157197 496262365 /nfs/dbraw/zinc/26/23/65/496262365.db2.gz DPQVUCQLGIBRLK-QGZVFWFLSA-N 1 2 361.486 3.268 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187038348 496264642 /nfs/dbraw/zinc/26/46/42/496264642.db2.gz QYTVMCHRUSODHU-LBPRGKRZSA-N 1 2 364.521 3.195 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187038348 496264646 /nfs/dbraw/zinc/26/46/46/496264646.db2.gz QYTVMCHRUSODHU-LBPRGKRZSA-N 1 2 364.521 3.195 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000156550358 496276590 /nfs/dbraw/zinc/27/65/90/496276590.db2.gz XCTSTXLFMFPIKR-MSOLQXFVSA-N 1 2 365.905 3.319 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000156550358 496276592 /nfs/dbraw/zinc/27/65/92/496276592.db2.gz XCTSTXLFMFPIKR-MSOLQXFVSA-N 1 2 365.905 3.319 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000175172097 496277052 /nfs/dbraw/zinc/27/70/52/496277052.db2.gz CMSQMGXXXWVNLS-LJQANCHMSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000175172097 496277054 /nfs/dbraw/zinc/27/70/54/496277054.db2.gz CMSQMGXXXWVNLS-LJQANCHMSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000156586867 496285312 /nfs/dbraw/zinc/28/53/12/496285312.db2.gz UGBQVEOAIQYFSX-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156718514 496318753 /nfs/dbraw/zinc/31/87/53/496318753.db2.gz OOTQHLPCTCILFN-LJQANCHMSA-N 1 2 370.474 3.178 20 30 FGEDLO COc1ccccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156718514 496318758 /nfs/dbraw/zinc/31/87/58/496318758.db2.gz OOTQHLPCTCILFN-LJQANCHMSA-N 1 2 370.474 3.178 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)CC2)cc1OCC ZINC000162248448 496322266 /nfs/dbraw/zinc/32/22/66/496322266.db2.gz JXIDUAZYTPBPBE-UHFFFAOYSA-N 1 2 370.287 3.369 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000156758282 496328022 /nfs/dbraw/zinc/32/80/22/496328022.db2.gz NKACEMVWTQKGAH-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000156758282 496328025 /nfs/dbraw/zinc/32/80/25/496328025.db2.gz NKACEMVWTQKGAH-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000156810951 496338138 /nfs/dbraw/zinc/33/81/38/496338138.db2.gz FPDSWRVPXRECIO-YJBOKZPZSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000156810951 496338143 /nfs/dbraw/zinc/33/81/43/496338143.db2.gz FPDSWRVPXRECIO-YJBOKZPZSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569063218 505842659 /nfs/dbraw/zinc/84/26/59/505842659.db2.gz LHRGFIHUEQGPKI-IIBYNOLFSA-N 1 2 351.450 3.081 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(C)o1 ZINC000184646701 496477974 /nfs/dbraw/zinc/47/79/74/496477974.db2.gz ZVBFKLUYYJXSCK-IUODEOHRSA-N 1 2 373.478 3.314 20 30 FGEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(C)o1 ZINC000184739166 496514560 /nfs/dbraw/zinc/51/45/60/496514560.db2.gz YCGBVCSGAOPDIO-FUHWJXTLSA-N 1 2 355.438 3.201 20 30 FGEDLO N#Cc1csc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000181781649 496541786 /nfs/dbraw/zinc/54/17/86/496541786.db2.gz MNBWQOHTLIDRPW-UHFFFAOYSA-N 1 2 362.458 3.257 20 30 FGEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1Cl ZINC000153767861 496572642 /nfs/dbraw/zinc/57/26/42/496572642.db2.gz PZFZQFCXECPJPQ-UHFFFAOYSA-N 1 2 369.852 3.048 20 30 FGEDLO C[N@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179000649 496641542 /nfs/dbraw/zinc/64/15/42/496641542.db2.gz GKUKQYVSYZGDGQ-UHFFFAOYSA-N 1 2 362.882 3.160 20 30 FGEDLO C[N@@H+](CCc1ccc(Cl)cc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179000649 496641546 /nfs/dbraw/zinc/64/15/46/496641546.db2.gz GKUKQYVSYZGDGQ-UHFFFAOYSA-N 1 2 362.882 3.160 20 30 FGEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000188345019 496758311 /nfs/dbraw/zinc/75/83/11/496758311.db2.gz DIAZXAFKLCUVJZ-UHFFFAOYSA-N 1 2 362.389 3.274 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nccc(C)c3C#N)CC2)cs1 ZINC000273407419 496797278 /nfs/dbraw/zinc/79/72/78/496797278.db2.gz XDTWXMBYLZTDFK-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nccc(C)c3C#N)CC2)cs1 ZINC000273407419 496797281 /nfs/dbraw/zinc/79/72/81/496797281.db2.gz XDTWXMBYLZTDFK-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)n1 ZINC000273410596 496798296 /nfs/dbraw/zinc/79/82/96/496798296.db2.gz STRUZVBMJNMXIK-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO CCS[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000268851565 496802858 /nfs/dbraw/zinc/80/28/58/496802858.db2.gz BVKNJZHIYXLSPD-OAHLLOKOSA-N 1 2 371.510 3.073 20 30 FGEDLO C#CCOc1ccccc1CNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277634980 496836006 /nfs/dbraw/zinc/83/60/06/496836006.db2.gz LHADATQLZOKUGW-UHFFFAOYSA-N 1 2 368.481 3.079 20 30 FGEDLO CC(C)(C)c1cc(NCCNC(=O)C2N=CC=CC2=O)nc(C(C)(C)C)[nH+]1 ZINC000269365730 496930712 /nfs/dbraw/zinc/93/07/12/496930712.db2.gz NZUHSAZMIOOGSH-MSUUIHNZSA-N 1 2 371.485 3.010 20 30 FGEDLO C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278019877 496974901 /nfs/dbraw/zinc/97/49/01/496974901.db2.gz GIRSHFRMJRUDDX-UHFFFAOYSA-N 1 2 366.465 3.250 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248631401 497064586 /nfs/dbraw/zinc/06/45/86/497064586.db2.gz RBWXEMCTAAAIRF-BMGDILEWSA-N 1 2 350.890 3.430 20 30 FGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248631401 497064589 /nfs/dbraw/zinc/06/45/89/497064589.db2.gz RBWXEMCTAAAIRF-BMGDILEWSA-N 1 2 350.890 3.430 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249037607 497152609 /nfs/dbraw/zinc/15/26/09/497152609.db2.gz GHXMIKPHTGHICN-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249037607 497152615 /nfs/dbraw/zinc/15/26/15/497152615.db2.gz GHXMIKPHTGHICN-HZPDHXFCSA-N 1 2 366.440 3.235 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250739633 497269007 /nfs/dbraw/zinc/26/90/07/497269007.db2.gz PPHLRGUVVHEUNF-IAGOWNOFSA-N 1 2 369.868 3.068 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250739633 497269010 /nfs/dbraw/zinc/26/90/10/497269010.db2.gz PPHLRGUVVHEUNF-IAGOWNOFSA-N 1 2 369.868 3.068 20 30 FGEDLO CCc1cc(N)nc(SCC(=O)N(CCC#N)c2cccc(C)c2C)[nH+]1 ZINC000279045185 497314870 /nfs/dbraw/zinc/31/48/70/497314870.db2.gz GLDSPMKLWNCUPY-UHFFFAOYSA-N 1 2 369.494 3.277 20 30 FGEDLO C[C@H](CC(=O)NC1CCC(Oc2ccccc2C#N)CC1)n1cc[nH+]c1 ZINC000574992734 505899840 /nfs/dbraw/zinc/89/98/40/505899840.db2.gz VXZCKCRHDNUWLW-FAEJEUNOSA-N 1 2 352.438 3.212 20 30 FGEDLO N#Cc1cccc(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255091114 497357952 /nfs/dbraw/zinc/35/79/52/497357952.db2.gz GBVROYJWQHPELT-UITAMQMPSA-N 1 2 374.488 3.218 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193371162 497363144 /nfs/dbraw/zinc/36/31/44/497363144.db2.gz MDEZXFWAUVWRCB-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193769821 497475733 /nfs/dbraw/zinc/47/57/33/497475733.db2.gz IUTZSGYACOAQRB-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245709613 497510802 /nfs/dbraw/zinc/51/08/02/497510802.db2.gz SOPPFGQPOHZPPC-RBUKOAKNSA-N 1 2 370.403 3.081 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245709613 497510808 /nfs/dbraw/zinc/51/08/08/497510808.db2.gz SOPPFGQPOHZPPC-RBUKOAKNSA-N 1 2 370.403 3.081 20 30 FGEDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000276264071 497531828 /nfs/dbraw/zinc/53/18/28/497531828.db2.gz XEDQEGNCEKFVGH-HNNXBMFYSA-N 1 2 360.454 3.294 20 30 FGEDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000276264071 497531829 /nfs/dbraw/zinc/53/18/29/497531829.db2.gz XEDQEGNCEKFVGH-HNNXBMFYSA-N 1 2 360.454 3.294 20 30 FGEDLO C=CCCOCCNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279782336 497539766 /nfs/dbraw/zinc/53/97/66/497539766.db2.gz AXUZSZVHEPWWQE-UHFFFAOYSA-N 1 2 356.470 3.284 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000272259374 497580295 /nfs/dbraw/zinc/58/02/95/497580295.db2.gz JVDWQUKLQNQYTG-UHFFFAOYSA-N 1 2 374.462 3.445 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000272259374 497580300 /nfs/dbraw/zinc/58/03/00/497580300.db2.gz JVDWQUKLQNQYTG-UHFFFAOYSA-N 1 2 374.462 3.445 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000272477840 497639220 /nfs/dbraw/zinc/63/92/20/497639220.db2.gz FPEHUCQBVSSFHZ-IRXDYDNUSA-N 1 2 370.497 3.453 20 30 FGEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000194590279 497712854 /nfs/dbraw/zinc/71/28/54/497712854.db2.gz HONJPHJAXHDQPH-FQEVSTJZSA-N 1 2 364.449 3.062 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000191143368 497722869 /nfs/dbraw/zinc/72/28/69/497722869.db2.gz AXLMWJJWZTXXRB-STQMWFEESA-N 1 2 361.511 3.305 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000191143368 497722876 /nfs/dbraw/zinc/72/28/76/497722876.db2.gz AXLMWJJWZTXXRB-STQMWFEESA-N 1 2 361.511 3.305 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000246509353 497759133 /nfs/dbraw/zinc/75/91/33/497759133.db2.gz QMKOFDAASPAWRN-CTNGQTDRSA-N 1 2 364.445 3.311 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000246509353 497759136 /nfs/dbraw/zinc/75/91/36/497759136.db2.gz QMKOFDAASPAWRN-CTNGQTDRSA-N 1 2 364.445 3.311 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(=Cc2ccccc2F)CC1 ZINC000329596012 497840459 /nfs/dbraw/zinc/84/04/59/497840459.db2.gz IMDCSJHMQNPLOB-INIZCTEOSA-N 1 2 354.429 3.500 20 30 FGEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(=Cc2ccccc2F)CC1 ZINC000329596012 497840465 /nfs/dbraw/zinc/84/04/65/497840465.db2.gz IMDCSJHMQNPLOB-INIZCTEOSA-N 1 2 354.429 3.500 20 30 FGEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1(F)F ZINC000329620564 497848845 /nfs/dbraw/zinc/84/88/45/497848845.db2.gz REPUYHAOBRLDMH-CHWSQXEVSA-N 1 2 354.445 3.387 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329676050 497864729 /nfs/dbraw/zinc/86/47/29/497864729.db2.gz PJVQXASLBPCJPG-IBGZPJMESA-N 1 2 372.513 3.377 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C12CCCCC2 ZINC000329756998 497891454 /nfs/dbraw/zinc/89/14/54/497891454.db2.gz ZAONVACRRGOFQF-JCGIZDLHSA-N 1 2 360.502 3.241 20 30 FGEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C12CCCCC2 ZINC000329756998 497891463 /nfs/dbraw/zinc/89/14/63/497891463.db2.gz ZAONVACRRGOFQF-JCGIZDLHSA-N 1 2 360.502 3.241 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000364327755 497902256 /nfs/dbraw/zinc/90/22/56/497902256.db2.gz KUDYDHSFRPAXNQ-CYBMUJFWSA-N 1 2 360.458 3.195 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)n2)C1 ZINC000329855491 497928479 /nfs/dbraw/zinc/92/84/79/497928479.db2.gz UCIWYVOLOCOFRG-BFJAYTPKSA-N 1 2 365.499 3.015 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)n2)C1 ZINC000329855491 497928485 /nfs/dbraw/zinc/92/84/85/497928485.db2.gz UCIWYVOLOCOFRG-BFJAYTPKSA-N 1 2 365.499 3.015 20 30 FGEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000329889927 497941042 /nfs/dbraw/zinc/94/10/42/497941042.db2.gz FIWIBIMCCXPAFC-YESZJQIVSA-N 1 2 360.502 3.077 20 30 FGEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC[C@H]1c1ccccc1 ZINC000329898920 497944235 /nfs/dbraw/zinc/94/42/35/497944235.db2.gz MPQFOYMADJVZLM-ZIFCJYIRSA-N 1 2 352.482 3.485 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000301107503 497954052 /nfs/dbraw/zinc/95/40/52/497954052.db2.gz WXWZVYYHZKEALR-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H](C2CC2)O1 ZINC000329929198 497956977 /nfs/dbraw/zinc/95/69/77/497956977.db2.gz YOPVNXMTCYHYIZ-BBRMVZONSA-N 1 2 364.515 3.174 20 30 FGEDLO CC1CC[NH+](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CC1 ZINC000329940727 497962038 /nfs/dbraw/zinc/96/20/38/497962038.db2.gz BWAYZISJSQZPGS-HUUCEWRRSA-N 1 2 366.531 3.072 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@]3(C1)OCc1ccccc13)CCC2 ZINC000329951373 497966664 /nfs/dbraw/zinc/96/66/64/497966664.db2.gz CNEIULSXEYYXRU-KKSFZXQISA-N 1 2 366.465 3.114 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329983080 497980216 /nfs/dbraw/zinc/98/02/16/497980216.db2.gz AVEDQNPNOCTORN-MJGOQNOKSA-N 1 2 369.513 3.250 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1CCSCC1 ZINC000329990080 497982209 /nfs/dbraw/zinc/98/22/09/497982209.db2.gz VTXLALFKEXLGGV-GJZGRUSLSA-N 1 2 355.479 3.304 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1CCSCC1 ZINC000329990080 497982219 /nfs/dbraw/zinc/98/22/19/497982219.db2.gz VTXLALFKEXLGGV-GJZGRUSLSA-N 1 2 355.479 3.304 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330099515 498020994 /nfs/dbraw/zinc/02/09/94/498020994.db2.gz DCTPMARYELZCEX-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330099515 498020998 /nfs/dbraw/zinc/02/09/98/498020998.db2.gz DCTPMARYELZCEX-ZRGWGRIASA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330099514 498021015 /nfs/dbraw/zinc/02/10/15/498021015.db2.gz DCTPMARYELZCEX-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330099514 498021026 /nfs/dbraw/zinc/02/10/26/498021026.db2.gz DCTPMARYELZCEX-YZVOILCLSA-N 1 2 350.434 3.381 20 30 FGEDLO CC1(C)CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000330124687 498030122 /nfs/dbraw/zinc/03/01/22/498030122.db2.gz IDYOOMNWTHFGLU-GOSISDBHSA-N 1 2 367.497 3.298 20 30 FGEDLO CC1(C)CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000330124687 498030127 /nfs/dbraw/zinc/03/01/27/498030127.db2.gz IDYOOMNWTHFGLU-GOSISDBHSA-N 1 2 367.497 3.298 20 30 FGEDLO O=C(NC[C@H]1SCCc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000330169849 498048051 /nfs/dbraw/zinc/04/80/51/498048051.db2.gz BPJFFRKMQJBUED-GOSISDBHSA-N 1 2 356.495 3.465 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000364615276 498052324 /nfs/dbraw/zinc/05/23/24/498052324.db2.gz VZTPLTQLCPPQDJ-LBPRGKRZSA-N 1 2 365.368 3.037 20 30 FGEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330183363 498052482 /nfs/dbraw/zinc/05/24/82/498052482.db2.gz PWTKPOUSTXOULT-UONOGXRCSA-N 1 2 350.532 3.094 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000296502148 498069209 /nfs/dbraw/zinc/06/92/09/498069209.db2.gz BZGJPPROTCENAN-HOTGVXAUSA-N 1 2 353.426 3.166 20 30 FGEDLO O=C(N[C@@H]1CC=CCC1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000330322089 498104645 /nfs/dbraw/zinc/10/46/45/498104645.db2.gz GOTDLTXHXYGWJA-SJORKVTESA-N 1 2 356.470 3.158 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)CCO1 ZINC000330323637 498105399 /nfs/dbraw/zinc/10/53/99/498105399.db2.gz HTYDVTMXLRPXCG-HKUYNNGSSA-N 1 2 369.465 3.345 20 30 FGEDLO Cc1ccc(CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC000330330753 498106761 /nfs/dbraw/zinc/10/67/61/498106761.db2.gz NNVDKWIWXFMPQX-IEBWSBKVSA-N 1 2 356.470 3.003 20 30 FGEDLO CCS[C@@H]1CCC[C@H](NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000330337901 498110332 /nfs/dbraw/zinc/11/03/32/498110332.db2.gz UPPHIWIISCOBNE-ARFHVFGLSA-N 1 2 365.547 3.067 20 30 FGEDLO CCc1ccc(CC)c(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000330349385 498114302 /nfs/dbraw/zinc/11/43/02/498114302.db2.gz JVLXKWGKFRJFDW-SFHVURJKSA-N 1 2 355.486 3.079 20 30 FGEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000281352612 498116768 /nfs/dbraw/zinc/11/67/68/498116768.db2.gz DZXRJGVLOQQOPM-AWEZNQCLSA-N 1 2 354.454 3.172 20 30 FGEDLO CC(C)(C)c1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000330432099 498132607 /nfs/dbraw/zinc/13/26/07/498132607.db2.gz JVXHEGJGNZHWBR-UHFFFAOYSA-N 1 2 368.506 3.270 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000289448929 498151146 /nfs/dbraw/zinc/15/11/46/498151146.db2.gz FJMHUWWWAXOSCR-SJLPKXTDSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000289448929 498151154 /nfs/dbraw/zinc/15/11/54/498151154.db2.gz FJMHUWWWAXOSCR-SJLPKXTDSA-N 1 2 350.422 3.142 20 30 FGEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000292800973 498151559 /nfs/dbraw/zinc/15/15/59/498151559.db2.gz YNCPZADJDICOKD-IRXDYDNUSA-N 1 2 356.470 3.229 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1)C1CC1 ZINC000364824126 498160988 /nfs/dbraw/zinc/16/09/88/498160988.db2.gz RLOJLFGSTYQWMS-UHFFFAOYSA-N 1 2 352.438 3.076 20 30 FGEDLO CC[C@H](CC#N)[NH2+]C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000578664372 505992750 /nfs/dbraw/zinc/99/27/50/505992750.db2.gz KXTDQEYXZVEIHJ-QUCCMNQESA-N 1 2 371.506 3.297 20 30 FGEDLO CC[C@H](CC#N)[NH2+]C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000578664373 505992839 /nfs/dbraw/zinc/99/28/39/505992839.db2.gz KXTDQEYXZVEIHJ-UYAOXDASSA-N 1 2 371.506 3.297 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)c(Br)c1 ZINC000330861653 498206864 /nfs/dbraw/zinc/20/68/64/498206864.db2.gz VMOBRMDHLXLSMN-SGMGOOAPSA-N 1 2 350.260 3.366 20 30 FGEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000281694734 498239796 /nfs/dbraw/zinc/23/97/96/498239796.db2.gz NIAGQBIQIKYSJZ-UONOGXRCSA-N 1 2 361.511 3.326 20 30 FGEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000281694734 498239801 /nfs/dbraw/zinc/23/98/01/498239801.db2.gz NIAGQBIQIKYSJZ-UONOGXRCSA-N 1 2 361.511 3.326 20 30 FGEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296943442 498260603 /nfs/dbraw/zinc/26/06/03/498260603.db2.gz PIUWBKSSGKHDDV-MRXNPFEDSA-N 1 2 356.401 3.186 20 30 FGEDLO N#CC1(CCC[S@@](=O)Cc2[nH+]ccn2-c2ccccc2)CCOCC1 ZINC000281778855 498266230 /nfs/dbraw/zinc/26/62/30/498266230.db2.gz GSTGKQXDEGMNDY-RUZDIDTESA-N 1 2 357.479 3.222 20 30 FGEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000572597199 506008146 /nfs/dbraw/zinc/00/81/46/506008146.db2.gz BXYNJMVBJROREP-CQSZACIVSA-N 1 2 357.889 3.198 20 30 FGEDLO CSCc1cnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000293148436 498286169 /nfs/dbraw/zinc/28/61/69/498286169.db2.gz DOWWSFHIGHJTAH-INIZCTEOSA-N 1 2 372.519 3.163 20 30 FGEDLO CCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000331310515 498298200 /nfs/dbraw/zinc/29/82/00/498298200.db2.gz YSRUKVDLDMFWOC-MRXNPFEDSA-N 1 2 360.502 3.017 20 30 FGEDLO Cc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)c1C ZINC000301898400 498317979 /nfs/dbraw/zinc/31/79/79/498317979.db2.gz RZZPURMLKBIZFB-ROUUACIJSA-N 1 2 371.872 3.102 20 30 FGEDLO Cc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1C ZINC000301898400 498317982 /nfs/dbraw/zinc/31/79/82/498317982.db2.gz RZZPURMLKBIZFB-ROUUACIJSA-N 1 2 371.872 3.102 20 30 FGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000578787320 506020391 /nfs/dbraw/zinc/02/03/91/506020391.db2.gz KZPSDIOEZCIMFR-TXEJJXNPSA-N 1 2 359.417 3.482 20 30 FGEDLO Cc1cc(C(F)(F)F)c(C#N)c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000578787320 506020395 /nfs/dbraw/zinc/02/03/95/506020395.db2.gz KZPSDIOEZCIMFR-TXEJJXNPSA-N 1 2 359.417 3.482 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302014364 498367952 /nfs/dbraw/zinc/36/79/52/498367952.db2.gz BLGHETJZRVMSRR-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)c1 ZINC000361388584 498382638 /nfs/dbraw/zinc/38/26/38/498382638.db2.gz FXOKSPYWQQWUBL-UHFFFAOYSA-N 1 2 353.447 3.153 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365370579 498427875 /nfs/dbraw/zinc/42/78/75/498427875.db2.gz WKSVBVHASLHLDJ-CQSZACIVSA-N 1 2 353.426 3.174 20 30 FGEDLO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282261054 498443642 /nfs/dbraw/zinc/44/36/42/498443642.db2.gz LNHQWSQZFMBZKQ-UHFFFAOYSA-N 1 2 364.453 3.063 20 30 FGEDLO Cc1ccc([C@H](CNc2c(C#N)cccc2C#N)[NH+]2CCOCC2)s1 ZINC000302459117 498488557 /nfs/dbraw/zinc/48/85/57/498488557.db2.gz RDJYEDMLHRSIKD-KRWDZBQOSA-N 1 2 352.463 3.285 20 30 FGEDLO N#CC1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000282579624 498567357 /nfs/dbraw/zinc/56/73/57/498567357.db2.gz DPHCQSFQHIPYGT-FAFZWHIHSA-N 1 2 357.523 3.223 20 30 FGEDLO O=C(NCC#Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282588196 498572257 /nfs/dbraw/zinc/57/22/57/498572257.db2.gz PPJSMTAFSSIQHL-IBGZPJMESA-N 1 2 362.477 3.160 20 30 FGEDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000302831139 498593756 /nfs/dbraw/zinc/59/37/56/498593756.db2.gz APUCALPKSVXOGP-KRWDZBQOSA-N 1 2 351.450 3.462 20 30 FGEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000302831139 498593760 /nfs/dbraw/zinc/59/37/60/498593760.db2.gz APUCALPKSVXOGP-KRWDZBQOSA-N 1 2 351.450 3.462 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000332389261 498672173 /nfs/dbraw/zinc/67/21/73/498672173.db2.gz UYYNOHSYJZBCFW-INIZCTEOSA-N 1 2 374.460 3.057 20 30 FGEDLO Cc1cc(C(C)C)nc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000332403434 498677226 /nfs/dbraw/zinc/67/72/26/498677226.db2.gz VORIBJODHGXONG-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO Cc1nc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(Cl)cc1C#N ZINC000290951154 498734591 /nfs/dbraw/zinc/73/45/91/498734591.db2.gz LZIYALMYODIPAL-GFCCVEGCSA-N 1 2 357.845 3.147 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000366099078 498774916 /nfs/dbraw/zinc/77/49/16/498774916.db2.gz QHJCEJZADSODJO-WMZOPIPTSA-N 1 2 369.465 3.109 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCOCC2)c1C#N ZINC000363437214 498821338 /nfs/dbraw/zinc/82/13/38/498821338.db2.gz VJHBEMFZJLPQKB-UHFFFAOYSA-N 1 2 358.486 3.143 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCOCC2)c1C#N ZINC000363437214 498821342 /nfs/dbraw/zinc/82/13/42/498821342.db2.gz VJHBEMFZJLPQKB-UHFFFAOYSA-N 1 2 358.486 3.143 20 30 FGEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H](c2ccsc2)O1 ZINC000328609958 498874727 /nfs/dbraw/zinc/87/47/27/498874727.db2.gz NGXGCKLHTRCQBP-IJEWVQPXSA-N 1 2 360.483 3.198 20 30 FGEDLO Cc1nc2cccc(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)c2[nH]1 ZINC000328719002 498914174 /nfs/dbraw/zinc/91/41/74/498914174.db2.gz VGXSSIAICWMXTD-UHFFFAOYSA-N 1 2 370.497 3.459 20 30 FGEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000328730216 498918060 /nfs/dbraw/zinc/91/80/60/498918060.db2.gz FYVXVIJWJSMRPB-NVXWUHKLSA-N 1 2 350.426 3.197 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000328780328 498936774 /nfs/dbraw/zinc/93/67/74/498936774.db2.gz MLSCCERSBYMISL-DOMZBBRYSA-N 1 2 360.458 3.500 20 30 FGEDLO Cn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)cc21 ZINC000328825633 498951325 /nfs/dbraw/zinc/95/13/25/498951325.db2.gz QAVHAFLQIIMTME-CYBMUJFWSA-N 1 2 367.453 3.093 20 30 FGEDLO C[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1CO ZINC000328860473 498964345 /nfs/dbraw/zinc/96/43/45/498964345.db2.gz YYGXCPYHAWPUPF-BEFAXECRSA-N 1 2 366.465 3.240 20 30 FGEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328887633 498975724 /nfs/dbraw/zinc/97/57/24/498975724.db2.gz PPODVECRSIYROP-KYJSFNMBSA-N 1 2 357.454 3.121 20 30 FGEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328887633 498975728 /nfs/dbraw/zinc/97/57/28/498975728.db2.gz PPODVECRSIYROP-KYJSFNMBSA-N 1 2 357.454 3.121 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000328996081 499010147 /nfs/dbraw/zinc/01/01/47/499010147.db2.gz JTPFEFBJPMGQQT-HNNXBMFYSA-N 1 2 363.527 3.113 20 30 FGEDLO COc1ccccc1NC(=O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329053283 499026881 /nfs/dbraw/zinc/02/68/81/499026881.db2.gz RVXDMSNMRGTOTI-UHFFFAOYSA-N 1 2 359.470 3.150 20 30 FGEDLO COc1ccccc1NC(=O)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000329053283 499026884 /nfs/dbraw/zinc/02/68/84/499026884.db2.gz RVXDMSNMRGTOTI-UHFFFAOYSA-N 1 2 359.470 3.150 20 30 FGEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2nc3c(cc2C#N)CCCC3)on1 ZINC000329216676 499075182 /nfs/dbraw/zinc/07/51/82/499075182.db2.gz OXPMLCCQPNYIGU-IRXDYDNUSA-N 1 2 369.444 3.153 20 30 FGEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2nc3c(cc2C#N)CCCC3)on1 ZINC000329216676 499075187 /nfs/dbraw/zinc/07/51/87/499075187.db2.gz OXPMLCCQPNYIGU-IRXDYDNUSA-N 1 2 369.444 3.153 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O)CCC2 ZINC000329329690 499100514 /nfs/dbraw/zinc/10/05/14/499100514.db2.gz LFASHMQRWBISIW-QFACEVIFSA-N 1 2 374.529 3.244 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1(C)C ZINC000295817392 499108055 /nfs/dbraw/zinc/10/80/55/499108055.db2.gz HKVBGOBXDOXSPV-QGZVFWFLSA-N 1 2 361.405 3.170 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H]1C1CCOCC1)C2 ZINC000329480936 499127096 /nfs/dbraw/zinc/12/70/96/499127096.db2.gz RBDOROWFUDYSMI-IRXDYDNUSA-N 1 2 374.529 3.300 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1C1CCOCC1)C2 ZINC000329480935 499127213 /nfs/dbraw/zinc/12/72/13/499127213.db2.gz RBDOROWFUDYSMI-DLBZAZTESA-N 1 2 374.529 3.300 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N2CCOCC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000329512785 499128617 /nfs/dbraw/zinc/12/86/17/499128617.db2.gz LEDPTPVMFAIPNA-KRWDZBQOSA-N 1 2 373.497 3.128 20 30 FGEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367066313 499142888 /nfs/dbraw/zinc/14/28/88/499142888.db2.gz MIXCWIVGYLPGMV-SFHVURJKSA-N 1 2 366.509 3.334 20 30 FGEDLO C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000576335213 506133664 /nfs/dbraw/zinc/13/36/64/506133664.db2.gz HXRNVAPNACCFBK-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000576335213 506133666 /nfs/dbraw/zinc/13/36/66/506133666.db2.gz HXRNVAPNACCFBK-WGDIFIGCSA-N 1 2 368.502 3.480 20 30 FGEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc(N4CCCCC4)nc[nH+]3)n2)c1 ZINC000367595375 499215893 /nfs/dbraw/zinc/21/58/93/499215893.db2.gz WRASKOCDQLIBGT-UHFFFAOYSA-N 1 2 359.437 3.341 20 30 FGEDLO N#Cc1cccc(-c2c[nH]c(CNc3cc(N4CCCCC4)[nH+]cn3)n2)c1 ZINC000367595375 499215895 /nfs/dbraw/zinc/21/58/95/499215895.db2.gz WRASKOCDQLIBGT-UHFFFAOYSA-N 1 2 359.437 3.341 20 30 FGEDLO COc1cc(OC)cc([C@H](Nc2cc(C#N)cc(C)n2)c2[nH+]ccn2C)c1 ZINC000370543872 499230388 /nfs/dbraw/zinc/23/03/88/499230388.db2.gz MGUAJBRDXUBPAH-IBGZPJMESA-N 1 2 363.421 3.214 20 30 FGEDLO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000367999820 499253366 /nfs/dbraw/zinc/25/33/66/499253366.db2.gz WDWNONLYLZTMPR-ICSRJNTNSA-N 1 2 358.449 3.024 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000368073379 499261676 /nfs/dbraw/zinc/26/16/76/499261676.db2.gz ZJVXQNGWJXVRQQ-APWZRJJASA-N 1 2 371.506 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000368073379 499261677 /nfs/dbraw/zinc/26/16/77/499261677.db2.gz ZJVXQNGWJXVRQQ-APWZRJJASA-N 1 2 371.506 3.274 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370961960 499275149 /nfs/dbraw/zinc/27/51/49/499275149.db2.gz YEPAHHURJPPMMH-QGZVFWFLSA-N 1 2 354.429 3.053 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000368516517 499303858 /nfs/dbraw/zinc/30/38/58/499303858.db2.gz ZHIXPKWVCAIOKK-UHFFFAOYSA-N 1 2 374.488 3.130 20 30 FGEDLO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371633457 499349206 /nfs/dbraw/zinc/34/92/06/499349206.db2.gz BCUSEFXIQNHKEI-KNQAVFIVSA-N 1 2 362.477 3.329 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656948 499351554 /nfs/dbraw/zinc/35/15/54/499351554.db2.gz WXKCYEYJTYSQHP-AZUAARDMSA-N 1 2 360.417 3.069 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656948 499351555 /nfs/dbraw/zinc/35/15/55/499351555.db2.gz WXKCYEYJTYSQHP-AZUAARDMSA-N 1 2 360.417 3.069 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000369377313 499397177 /nfs/dbraw/zinc/39/71/77/499397177.db2.gz AALABJAJJOQABS-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000369377313 499397178 /nfs/dbraw/zinc/39/71/78/499397178.db2.gz AALABJAJJOQABS-UHFFFAOYSA-N 1 2 352.825 3.334 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372186818 499406616 /nfs/dbraw/zinc/40/66/16/499406616.db2.gz OKEHAPLBTKJDPJ-UHFFFAOYSA-N 1 2 373.859 3.017 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372186818 499406617 /nfs/dbraw/zinc/40/66/17/499406617.db2.gz OKEHAPLBTKJDPJ-UHFFFAOYSA-N 1 2 373.859 3.017 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369653806 499432454 /nfs/dbraw/zinc/43/24/54/499432454.db2.gz JMCWJZLTZXIZSY-INIZCTEOSA-N 1 2 353.441 3.439 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369653806 499432455 /nfs/dbraw/zinc/43/24/55/499432455.db2.gz JMCWJZLTZXIZSY-INIZCTEOSA-N 1 2 353.441 3.439 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000373082940 499450415 /nfs/dbraw/zinc/45/04/15/499450415.db2.gz YEMYPJDFRCJLSY-HNNXBMFYSA-N 1 2 367.453 3.490 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122013 499452603 /nfs/dbraw/zinc/45/26/03/499452603.db2.gz DOLJIQUKXRPXQF-SCLBCKFNSA-N 1 2 353.422 3.034 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)c3ccccc3C2)c(C#N)c1C ZINC000373122013 499452604 /nfs/dbraw/zinc/45/26/04/499452604.db2.gz DOLJIQUKXRPXQF-SCLBCKFNSA-N 1 2 353.422 3.034 20 30 FGEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)cc2C)c2[nH+]ccn2C)c1 ZINC000378252411 499494849 /nfs/dbraw/zinc/49/48/49/499494849.db2.gz IHTTVAOAPVSOOX-LJQANCHMSA-N 1 2 360.417 3.128 20 30 FGEDLO C#CC[C@H](NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000378277373 499497031 /nfs/dbraw/zinc/49/70/31/499497031.db2.gz MAQBYKFVMKHTRM-FQEVSTJZSA-N 1 2 362.477 3.456 20 30 FGEDLO Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c[nH+]1 ZINC000378353994 499505828 /nfs/dbraw/zinc/50/58/28/499505828.db2.gz HPXMYQXURKCXSV-UHFFFAOYSA-N 1 2 350.422 3.067 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378547988 499530393 /nfs/dbraw/zinc/53/03/93/499530393.db2.gz HQUFXGYAACFOPL-HOTGVXAUSA-N 1 2 365.437 3.163 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000375633073 499539788 /nfs/dbraw/zinc/53/97/88/499539788.db2.gz XZUVBMFUCCZELR-UHFFFAOYSA-N 1 2 360.870 3.063 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000375907177 499567630 /nfs/dbraw/zinc/56/76/30/499567630.db2.gz XDYVCZRDPINEEB-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3cccnc3)CC2)c(C#N)c1C ZINC000375907177 499567632 /nfs/dbraw/zinc/56/76/32/499567632.db2.gz XDYVCZRDPINEEB-AWEZNQCLSA-N 1 2 350.422 3.279 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000376916661 499646352 /nfs/dbraw/zinc/64/63/52/499646352.db2.gz QOYPBXBFJRYJNS-IAGOWNOFSA-N 1 2 364.440 3.339 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000376916661 499646353 /nfs/dbraw/zinc/64/63/53/499646353.db2.gz QOYPBXBFJRYJNS-IAGOWNOFSA-N 1 2 364.440 3.339 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376962547 499649705 /nfs/dbraw/zinc/64/97/05/499649705.db2.gz VNSCAODKJYBSCD-PKOBYXMFSA-N 1 2 362.395 3.018 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376962547 499649707 /nfs/dbraw/zinc/64/97/07/499649707.db2.gz VNSCAODKJYBSCD-PKOBYXMFSA-N 1 2 362.395 3.018 20 30 FGEDLO N#Cc1c(F)ccc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1Cl ZINC000376984262 499651593 /nfs/dbraw/zinc/65/15/93/499651593.db2.gz BODFLQGAMXQLOT-UHFFFAOYSA-N 1 2 361.804 3.338 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377552654 499704041 /nfs/dbraw/zinc/70/40/41/499704041.db2.gz IXTVITIPFWVPRT-IFMALSPDSA-N 1 2 364.445 3.146 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377552654 499704042 /nfs/dbraw/zinc/70/40/42/499704042.db2.gz IXTVITIPFWVPRT-IFMALSPDSA-N 1 2 364.445 3.146 20 30 FGEDLO CCC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CCC#N ZINC000411196275 499709705 /nfs/dbraw/zinc/70/97/05/499709705.db2.gz BGPMFBOOMTZRSO-AWEZNQCLSA-N 1 2 366.303 3.422 20 30 FGEDLO CCC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CCC#N ZINC000411196275 499709706 /nfs/dbraw/zinc/70/97/06/499709706.db2.gz BGPMFBOOMTZRSO-AWEZNQCLSA-N 1 2 366.303 3.422 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1Oc1ccc(C#N)cc1F ZINC000414146374 499764098 /nfs/dbraw/zinc/76/40/98/499764098.db2.gz LBPWHBSYSXAXPL-INIZCTEOSA-N 1 2 369.396 3.075 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Oc1ccc(C#N)cc1F ZINC000414146374 499764099 /nfs/dbraw/zinc/76/40/99/499764099.db2.gz LBPWHBSYSXAXPL-INIZCTEOSA-N 1 2 369.396 3.075 20 30 FGEDLO CCc1ncc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000414450096 499793622 /nfs/dbraw/zinc/79/36/22/499793622.db2.gz WARWBLITMJUNIF-GOSISDBHSA-N 1 2 355.873 3.075 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232535 500028299 /nfs/dbraw/zinc/02/82/99/500028299.db2.gz BSAXTSWZAKASMP-CVEARBPZSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232535 500028304 /nfs/dbraw/zinc/02/83/04/500028304.db2.gz BSAXTSWZAKASMP-CVEARBPZSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000425136873 500029174 /nfs/dbraw/zinc/02/91/74/500029174.db2.gz XELBKHOWOTZSLO-QGZVFWFLSA-N 1 2 363.461 3.224 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)c(C#N)c1C ZINC000429238961 500031188 /nfs/dbraw/zinc/03/11/88/500031188.db2.gz RWKBUOIQLNJOHQ-UHFFFAOYSA-N 1 2 370.331 3.238 20 30 FGEDLO Cc1cc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C#N)c[nH+]1 ZINC000425204252 500044143 /nfs/dbraw/zinc/04/41/43/500044143.db2.gz HANBNRFDSNTIBW-CYBMUJFWSA-N 1 2 355.829 3.165 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C)C1CC1 ZINC000429294585 500045700 /nfs/dbraw/zinc/04/57/00/500045700.db2.gz OPKJPXQUUZYOLO-FQEVSTJZSA-N 1 2 374.916 3.049 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C)C1CC1 ZINC000429294585 500045703 /nfs/dbraw/zinc/04/57/03/500045703.db2.gz OPKJPXQUUZYOLO-FQEVSTJZSA-N 1 2 374.916 3.049 20 30 FGEDLO Cc1cc(N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425216769 500045856 /nfs/dbraw/zinc/04/58/56/500045856.db2.gz RYFFROQCYYSAPL-OAHLLOKOSA-N 1 2 365.355 3.157 20 30 FGEDLO CC[C@@H](C(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1)c1ccccc1 ZINC000425229457 500050998 /nfs/dbraw/zinc/05/09/98/500050998.db2.gz UDPSWQGKJKRNGK-HXUWFJFHSA-N 1 2 362.477 3.280 20 30 FGEDLO Cc1cc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc(C)[nH+]1 ZINC000421555283 500079810 /nfs/dbraw/zinc/07/98/10/500079810.db2.gz HUHNSTNZJVMCCB-UHFFFAOYSA-N 1 2 354.479 3.299 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc(SCC#N)c1 ZINC000429778448 500142815 /nfs/dbraw/zinc/14/28/15/500142815.db2.gz BTMMRJZAKHVHJB-UHFFFAOYSA-N 1 2 368.384 3.333 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000425655645 500172259 /nfs/dbraw/zinc/17/22/59/500172259.db2.gz YVAKIPIRERDCEC-XLMAVXFVSA-N 1 2 356.470 3.110 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCC(=O)Nc2ccc(C#N)cc2)c1C(=O)OC ZINC000419024259 500336472 /nfs/dbraw/zinc/33/64/72/500336472.db2.gz FHLUGDYHDJWSMT-UHFFFAOYSA-N 1 2 367.405 3.018 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(C#N)CCC1 ZINC000419632796 500386010 /nfs/dbraw/zinc/38/60/10/500386010.db2.gz XUWDADIEOZGHGQ-UHFFFAOYSA-N 1 2 355.486 3.023 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419628581 500386193 /nfs/dbraw/zinc/38/61/93/500386193.db2.gz PYUSCSGDBKKPHY-OAHLLOKOSA-N 1 2 360.889 3.422 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1C#N ZINC000427743222 500426327 /nfs/dbraw/zinc/42/63/27/500426327.db2.gz ITXSTPIKFXSSIT-UHFFFAOYSA-N 1 2 370.478 3.034 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1C#N ZINC000427743222 500426328 /nfs/dbraw/zinc/42/63/28/500426328.db2.gz ITXSTPIKFXSSIT-UHFFFAOYSA-N 1 2 370.478 3.034 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2cc[nH+]c(-c3ccccc3)c2)cc1C#N ZINC000427760554 500428800 /nfs/dbraw/zinc/42/88/00/500428800.db2.gz PSWAWHWINYYYJL-UHFFFAOYSA-N 1 2 350.403 3.125 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)nn1 ZINC000424177312 500464165 /nfs/dbraw/zinc/46/41/65/500464165.db2.gz ZSECJGKLTWLVQM-UHFFFAOYSA-N 1 2 373.201 3.118 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000432272716 500492067 /nfs/dbraw/zinc/49/20/67/500492067.db2.gz VRQKWYLDZNNGKV-UHFFFAOYSA-N 1 2 351.332 3.289 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCOCC1 ZINC000424642658 500534365 /nfs/dbraw/zinc/53/43/65/500534365.db2.gz KMJXJXGIFRQKSV-GOSISDBHSA-N 1 2 372.509 3.273 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](CC)O1 ZINC000420963305 500542768 /nfs/dbraw/zinc/54/27/68/500542768.db2.gz VHFHONCZFKMOJT-ZYSHUDEJSA-N 1 2 361.461 3.350 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H](CC)O1 ZINC000420963305 500542770 /nfs/dbraw/zinc/54/27/70/500542770.db2.gz VHFHONCZFKMOJT-ZYSHUDEJSA-N 1 2 361.461 3.350 20 30 FGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747552 500555316 /nfs/dbraw/zinc/55/53/16/500555316.db2.gz NGDVQMADBPWGOX-MSOLQXFVSA-N 1 2 364.436 3.199 20 30 FGEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000424747552 500555318 /nfs/dbraw/zinc/55/53/18/500555318.db2.gz NGDVQMADBPWGOX-MSOLQXFVSA-N 1 2 364.436 3.199 20 30 FGEDLO C=CCC[C@H](C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000433108660 500627532 /nfs/dbraw/zinc/62/75/32/500627532.db2.gz AFVQUGQVVXOOFR-RBUKOAKNSA-N 1 2 352.482 3.365 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1O ZINC000443056151 500670459 /nfs/dbraw/zinc/67/04/59/500670459.db2.gz GJSKCHMUTRCFIV-UHFFFAOYSA-N 1 2 356.385 3.431 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000439096930 500855668 /nfs/dbraw/zinc/85/56/68/500855668.db2.gz DXHHRCTYUHWZQU-ZDUSSCGKSA-N 1 2 351.410 3.068 20 30 FGEDLO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000444639928 500871546 /nfs/dbraw/zinc/87/15/46/500871546.db2.gz ODLSPRWWAKZBFM-BVZFJXPGSA-N 1 2 352.503 3.339 20 30 FGEDLO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@@]1=O ZINC000444639928 500871548 /nfs/dbraw/zinc/87/15/48/500871548.db2.gz ODLSPRWWAKZBFM-BVZFJXPGSA-N 1 2 352.503 3.339 20 30 FGEDLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000439316084 500883931 /nfs/dbraw/zinc/88/39/31/500883931.db2.gz JAHHFEWITJUOSW-ZDUSSCGKSA-N 1 2 364.287 3.222 20 30 FGEDLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000439316084 500883932 /nfs/dbraw/zinc/88/39/32/500883932.db2.gz JAHHFEWITJUOSW-ZDUSSCGKSA-N 1 2 364.287 3.222 20 30 FGEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000444773831 500896852 /nfs/dbraw/zinc/89/68/52/500896852.db2.gz TUQHAFPKSRPXJH-UHFFFAOYSA-N 1 2 373.840 3.304 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c(Cl)c1 ZINC000439452361 500898835 /nfs/dbraw/zinc/89/88/35/500898835.db2.gz OBBKTUNVUJUIBV-UHFFFAOYSA-N 1 2 365.815 3.121 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000445672385 501017742 /nfs/dbraw/zinc/01/77/42/501017742.db2.gz LHFOODUTZSAMJV-UHFFFAOYSA-N 1 2 364.453 3.367 20 30 FGEDLO N#Cc1cccnc1OC1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000445672385 501017744 /nfs/dbraw/zinc/01/77/44/501017744.db2.gz LHFOODUTZSAMJV-UHFFFAOYSA-N 1 2 364.453 3.367 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435907708 501044503 /nfs/dbraw/zinc/04/45/03/501044503.db2.gz LJROZUAQKLCXTD-QRWLVFNGSA-N 1 2 372.490 3.139 20 30 FGEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000435971542 501052728 /nfs/dbraw/zinc/05/27/28/501052728.db2.gz JARUOINVOZKJQX-LKFCYVNXSA-N 1 2 364.268 3.259 20 30 FGEDLO N#CC1CCC(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000440988418 501071796 /nfs/dbraw/zinc/07/17/96/501071796.db2.gz JEDBXFDUURJNIU-UHFFFAOYSA-N 1 2 365.481 3.103 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000441058382 501081328 /nfs/dbraw/zinc/08/13/28/501081328.db2.gz ARMWDOCYIHTCMY-UHFFFAOYSA-N 1 2 363.461 3.390 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000441058382 501081329 /nfs/dbraw/zinc/08/13/29/501081329.db2.gz ARMWDOCYIHTCMY-UHFFFAOYSA-N 1 2 363.461 3.390 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCC(C#N)CC3)c2C1 ZINC000441147664 501094601 /nfs/dbraw/zinc/09/46/01/501094601.db2.gz RHEZAALAXIVLGY-UHFFFAOYSA-N 1 2 362.477 3.282 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCC(C#N)CC3)c2C1 ZINC000441147664 501094604 /nfs/dbraw/zinc/09/46/04/501094604.db2.gz RHEZAALAXIVLGY-UHFFFAOYSA-N 1 2 362.477 3.282 20 30 FGEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)c1ccc(F)cc1F ZINC000602603500 506230240 /nfs/dbraw/zinc/23/02/40/506230240.db2.gz BKXNAXGKDLFHIM-UHFFFAOYSA-N 1 2 350.394 3.499 20 30 FGEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1nccc(C#N)n1 ZINC000450397488 501111092 /nfs/dbraw/zinc/11/10/92/501111092.db2.gz VREQNLUHJBPXGW-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450609360 501165873 /nfs/dbraw/zinc/16/58/73/501165873.db2.gz DLBRCDBSZNCXPB-JLTOFOAXSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450609360 501165875 /nfs/dbraw/zinc/16/58/75/501165875.db2.gz DLBRCDBSZNCXPB-JLTOFOAXSA-N 1 2 351.837 3.494 20 30 FGEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609933 501166531 /nfs/dbraw/zinc/16/65/31/501166531.db2.gz FQGIJJHQQAJHPS-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1Cl ZINC000450609933 501166535 /nfs/dbraw/zinc/16/65/35/501166535.db2.gz FQGIJJHQQAJHPS-JLTOFOAXSA-N 1 2 367.836 3.194 20 30 FGEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccc(O)c(OC)c3)n2)CC1 ZINC000436675175 501185446 /nfs/dbraw/zinc/18/54/46/501185446.db2.gz JYHWXXAYUBWDHP-UHFFFAOYSA-N 1 2 373.478 3.276 20 30 FGEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC12CCCC2 ZINC000450141878 501192345 /nfs/dbraw/zinc/19/23/45/501192345.db2.gz AQHYWYGAUVSZNV-FQEVSTJZSA-N 1 2 357.885 3.458 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450248617 501219026 /nfs/dbraw/zinc/21/90/26/501219026.db2.gz XYJIDMPQRMCFNN-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1C ZINC000451268507 501256568 /nfs/dbraw/zinc/25/65/68/501256568.db2.gz RREZMGRVSCIOJK-IFMALSPDSA-N 1 2 370.468 3.274 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1C ZINC000451268507 501256569 /nfs/dbraw/zinc/25/65/69/501256569.db2.gz RREZMGRVSCIOJK-IFMALSPDSA-N 1 2 370.468 3.274 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000455998726 501434734 /nfs/dbraw/zinc/43/47/34/501434734.db2.gz JQYDAFYAMJARNI-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO C=CCC1(CNC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCCC1 ZINC000454328804 501514804 /nfs/dbraw/zinc/51/48/04/501514804.db2.gz RPZWLAJPRYPJQH-KRWDZBQOSA-N 1 2 372.513 3.242 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000456390051 501515240 /nfs/dbraw/zinc/51/52/40/501515240.db2.gz ONKIRYJAWKGMFA-LLVKDONJSA-N 1 2 355.467 3.260 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458794815 501533531 /nfs/dbraw/zinc/53/35/31/501533531.db2.gz BPIIPGFHRHZLBQ-QZTJIDSGSA-N 1 2 351.454 3.354 20 30 FGEDLO N#CCc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000452647252 501537533 /nfs/dbraw/zinc/53/75/33/501537533.db2.gz PWXHANHOHPDJOU-UHFFFAOYSA-N 1 2 369.852 3.491 20 30 FGEDLO Cc1[nH+]c2cc(NC(=O)CCc3ccc(C#N)cc3)ccc2n1[C@@H](C)CO ZINC000456723055 501586681 /nfs/dbraw/zinc/58/66/81/501586681.db2.gz RGRRKLARVDPDGD-AWEZNQCLSA-N 1 2 362.433 3.341 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000459418602 501650341 /nfs/dbraw/zinc/65/03/41/501650341.db2.gz DHDPVJIAIVPBFO-CQSZACIVSA-N 1 2 356.357 3.044 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000459418602 501650343 /nfs/dbraw/zinc/65/03/43/501650343.db2.gz DHDPVJIAIVPBFO-CQSZACIVSA-N 1 2 356.357 3.044 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454904763 501653177 /nfs/dbraw/zinc/65/31/77/501653177.db2.gz QNAYFJMQCNTKFZ-KDOFPFPSSA-N 1 2 374.872 3.306 20 30 FGEDLO CCOc1ccc([C@@H](COC)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459456731 501657007 /nfs/dbraw/zinc/65/70/07/501657007.db2.gz PKUHDYWXJAOAJP-GOSISDBHSA-N 1 2 355.394 3.342 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cscc2C#N)C[C@H](C)O1 ZINC000460009832 501724823 /nfs/dbraw/zinc/72/48/23/501724823.db2.gz OMHJAXWSOLPIJO-KBPBESRZSA-N 1 2 355.463 3.481 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000460322463 501791881 /nfs/dbraw/zinc/79/18/81/501791881.db2.gz RROZFIHSMPPNFE-UHFFFAOYSA-N 1 2 351.406 3.146 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1C ZINC000485344136 501792937 /nfs/dbraw/zinc/79/29/37/501792937.db2.gz ILKSERIIWUMJIS-RBUKOAKNSA-N 1 2 359.514 3.195 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1C ZINC000485344136 501792942 /nfs/dbraw/zinc/79/29/42/501792942.db2.gz ILKSERIIWUMJIS-RBUKOAKNSA-N 1 2 359.514 3.195 20 30 FGEDLO CC(C)n1cc[nH+]c1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470999888 501887733 /nfs/dbraw/zinc/88/77/33/501887733.db2.gz XBUWCNPFMHNRDO-GOSISDBHSA-N 1 2 357.889 3.500 20 30 FGEDLO N#Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000464646049 502053484 /nfs/dbraw/zinc/05/34/84/502053484.db2.gz GCVGUQOEZWXKHK-UHFFFAOYSA-N 1 2 351.297 3.044 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820058 502105549 /nfs/dbraw/zinc/10/55/49/502105549.db2.gz DEFLHEOMPPGSDG-SFTDATJTSA-N 1 2 365.452 3.256 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000464820058 502105551 /nfs/dbraw/zinc/10/55/51/502105551.db2.gz DEFLHEOMPPGSDG-SFTDATJTSA-N 1 2 365.452 3.256 20 30 FGEDLO N#CC[C@@H](CC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000475582788 502218807 /nfs/dbraw/zinc/21/88/07/502218807.db2.gz CMICVOCVJKARAU-AWEZNQCLSA-N 1 2 350.344 3.149 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940119 502244903 /nfs/dbraw/zinc/24/49/03/502244903.db2.gz JAFCNUPLPFUWHR-VDNDLQMASA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940119 502244909 /nfs/dbraw/zinc/24/49/09/502244909.db2.gz JAFCNUPLPFUWHR-VDNDLQMASA-N 1 2 364.852 3.216 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnccc1C ZINC000483015162 502246039 /nfs/dbraw/zinc/24/60/39/502246039.db2.gz IWGYVWDXUFPSNM-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnccc1C ZINC000483015162 502246042 /nfs/dbraw/zinc/24/60/42/502246042.db2.gz IWGYVWDXUFPSNM-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc(F)c(Cl)c3)CC2)c1C#N ZINC000472148956 502248807 /nfs/dbraw/zinc/24/88/07/502248807.db2.gz BANUUDZFQRKVEP-ZDUSSCGKSA-N 1 2 361.852 3.276 20 30 FGEDLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)c1 ZINC000462018567 502276989 /nfs/dbraw/zinc/27/69/89/502276989.db2.gz VSBCMLOSPCRNEA-LBPRGKRZSA-N 1 2 350.344 3.079 20 30 FGEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(C#N)c1 ZINC000462025985 502278894 /nfs/dbraw/zinc/27/88/94/502278894.db2.gz LIKZKJCZMWGUNY-WMLDXEAASA-N 1 2 350.466 3.287 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000483262753 502332991 /nfs/dbraw/zinc/33/29/91/502332991.db2.gz RJEIUBPTVQIFFP-KRWDZBQOSA-N 1 2 362.433 3.037 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000483262753 502332992 /nfs/dbraw/zinc/33/29/92/502332992.db2.gz RJEIUBPTVQIFFP-KRWDZBQOSA-N 1 2 362.433 3.037 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000465699933 502351476 /nfs/dbraw/zinc/35/14/76/502351476.db2.gz WXLUECFLHFLZFA-OALUTQOASA-N 1 2 363.465 3.365 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000473025648 502503924 /nfs/dbraw/zinc/50/39/24/502503924.db2.gz IGEUILGHHRQSEO-CWLKWCNXSA-N 1 2 366.502 3.100 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000473025648 502503926 /nfs/dbraw/zinc/50/39/26/502503926.db2.gz IGEUILGHHRQSEO-CWLKWCNXSA-N 1 2 366.502 3.100 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4cc(Cl)ccc4C3)C2=O)cc1 ZINC000483989665 502542447 /nfs/dbraw/zinc/54/24/47/502542447.db2.gz VVNHYYPFGZSXND-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4cc(Cl)ccc4C3)C2=O)cc1 ZINC000483989665 502542453 /nfs/dbraw/zinc/54/24/53/502542453.db2.gz VVNHYYPFGZSXND-IBGZPJMESA-N 1 2 351.837 3.375 20 30 FGEDLO N#Cc1cc2c(nc1NC(=O)c1cccc(Cn3cc[nH+]c3)c1)CCCC2 ZINC000484158129 502587703 /nfs/dbraw/zinc/58/77/03/502587703.db2.gz HMEICJPXETYQNS-UHFFFAOYSA-N 1 2 357.417 3.329 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCCCC#N ZINC000588753253 506328127 /nfs/dbraw/zinc/32/81/27/506328127.db2.gz GOSZXGCIOCUQGB-LJQANCHMSA-N 1 2 357.498 3.210 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500577070 502818271 /nfs/dbraw/zinc/81/82/71/502818271.db2.gz WARHCMHUEKHPOX-HUUCEWRRSA-N 1 2 352.841 3.073 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500577070 502818274 /nfs/dbraw/zinc/81/82/74/502818274.db2.gz WARHCMHUEKHPOX-HUUCEWRRSA-N 1 2 352.841 3.073 20 30 FGEDLO N#Cc1ccncc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000513058136 502841481 /nfs/dbraw/zinc/84/14/81/502841481.db2.gz OLVSHDUCEJCMQP-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000513058136 502841483 /nfs/dbraw/zinc/84/14/83/502841483.db2.gz OLVSHDUCEJCMQP-INIZCTEOSA-N 1 2 372.831 3.140 20 30 FGEDLO N#CC1(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)CC1 ZINC000500769816 502859936 /nfs/dbraw/zinc/85/99/36/502859936.db2.gz SJJYVZIGPDVKFI-UHFFFAOYSA-N 1 2 353.495 3.318 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000496575858 502894928 /nfs/dbraw/zinc/89/49/28/502894928.db2.gz WGXMQUXYOOQNDY-UHFFFAOYSA-N 1 2 368.437 3.016 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000505584605 502941539 /nfs/dbraw/zinc/94/15/39/502941539.db2.gz INCUZJCTYUZKDZ-LPHOPBHVSA-N 1 2 366.465 3.050 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C#N ZINC000509818627 502992208 /nfs/dbraw/zinc/99/22/08/502992208.db2.gz INCNWVWPKQVPCO-CYBMUJFWSA-N 1 2 355.276 3.456 20 30 FGEDLO CCOCCOc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000509818627 502992212 /nfs/dbraw/zinc/99/22/12/502992212.db2.gz INCNWVWPKQVPCO-CYBMUJFWSA-N 1 2 355.276 3.456 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835812 502996374 /nfs/dbraw/zinc/99/63/74/502996374.db2.gz ZIBXYZGFGNDHMA-DOTOQJQBSA-N 1 2 367.449 3.496 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835812 502996377 /nfs/dbraw/zinc/99/63/77/502996377.db2.gz ZIBXYZGFGNDHMA-DOTOQJQBSA-N 1 2 367.449 3.496 20 30 FGEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc(OC)c1 ZINC000514103858 503088887 /nfs/dbraw/zinc/08/88/87/503088887.db2.gz FVTHRHHSRZICRJ-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc(OC)c1 ZINC000514103858 503088891 /nfs/dbraw/zinc/08/88/91/503088891.db2.gz FVTHRHHSRZICRJ-UHFFFAOYSA-N 1 2 373.840 3.299 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501869180 503097792 /nfs/dbraw/zinc/09/77/92/503097792.db2.gz HDJJTJWDESSUAR-GOEBONIOSA-N 1 2 368.403 3.088 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501869180 503097796 /nfs/dbraw/zinc/09/77/96/503097796.db2.gz HDJJTJWDESSUAR-GOEBONIOSA-N 1 2 368.403 3.088 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490078495 503105305 /nfs/dbraw/zinc/10/53/05/503105305.db2.gz HNRYGRHDVYLVCW-SFHVURJKSA-N 1 2 359.514 3.459 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490078495 503105307 /nfs/dbraw/zinc/10/53/07/503105307.db2.gz HNRYGRHDVYLVCW-SFHVURJKSA-N 1 2 359.514 3.459 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514339245 503127139 /nfs/dbraw/zinc/12/71/39/503127139.db2.gz POFQWLIPKNKAQV-UHFFFAOYSA-N 1 2 361.917 3.048 20 30 FGEDLO C=CCN(CC=C)C(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514339245 503127141 /nfs/dbraw/zinc/12/71/41/503127141.db2.gz POFQWLIPKNKAQV-UHFFFAOYSA-N 1 2 361.917 3.048 20 30 FGEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1C#N)c1cccc(OC)c1 ZINC000510777541 503191065 /nfs/dbraw/zinc/19/10/65/503191065.db2.gz KYDGYIBHRGTMEA-FQEVSTJZSA-N 1 2 356.397 3.274 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)cc1 ZINC000490709971 503217269 /nfs/dbraw/zinc/21/72/69/503217269.db2.gz MSGMFLDHKNRTDJ-UHFFFAOYSA-N 1 2 355.401 3.068 20 30 FGEDLO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(C#N)cc1F ZINC000502599483 503236318 /nfs/dbraw/zinc/23/63/18/503236318.db2.gz KKHDRIBCCOWPSJ-NSHDSACASA-N 1 2 350.390 3.091 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000502634981 503242521 /nfs/dbraw/zinc/24/25/21/503242521.db2.gz GAOCGIJJZLAWGB-IBGZPJMESA-N 1 2 354.410 3.072 20 30 FGEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507300558 503273132 /nfs/dbraw/zinc/27/31/32/503273132.db2.gz CAYDGHTUIPGDNC-SFHVURJKSA-N 1 2 366.509 3.075 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502881879 503297887 /nfs/dbraw/zinc/29/78/87/503297887.db2.gz RPKKQVSRSSCHSX-UHFFFAOYSA-N 1 2 354.425 3.349 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000507772407 503363324 /nfs/dbraw/zinc/36/33/24/503363324.db2.gz QXLMSVLHJONGIL-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000492658214 503378762 /nfs/dbraw/zinc/37/87/62/503378762.db2.gz LEGOOPHZCGPLBD-DNVCBOLYSA-N 1 2 360.417 3.297 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000492634856 503378830 /nfs/dbraw/zinc/37/88/30/503378830.db2.gz ZWMISTPCTGLSKG-LJQANCHMSA-N 1 2 359.433 3.209 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000512214970 503488991 /nfs/dbraw/zinc/48/89/91/503488991.db2.gz YPKVIRRNRPFTOX-CQSZACIVSA-N 1 2 353.422 3.298 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000512214970 503488996 /nfs/dbraw/zinc/48/89/96/503488996.db2.gz YPKVIRRNRPFTOX-CQSZACIVSA-N 1 2 353.422 3.298 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccc(CO)o1 ZINC000512219974 503489277 /nfs/dbraw/zinc/48/92/77/503489277.db2.gz QYYCSGAYOOMFOA-UHFFFAOYSA-N 1 2 362.495 3.090 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccc(CC)s1)Cc1ccc(CO)o1 ZINC000512219974 503489280 /nfs/dbraw/zinc/48/92/80/503489280.db2.gz QYYCSGAYOOMFOA-UHFFFAOYSA-N 1 2 362.495 3.090 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)CC2 ZINC000599211160 506374886 /nfs/dbraw/zinc/37/48/86/506374886.db2.gz RLFNYAXNODQODD-IBGZPJMESA-N 1 2 350.466 3.310 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512413800 503543073 /nfs/dbraw/zinc/54/30/73/503543073.db2.gz AAMNJUIOAJKLFN-SJORKVTESA-N 1 2 356.466 3.416 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000512413800 503543074 /nfs/dbraw/zinc/54/30/74/503543074.db2.gz AAMNJUIOAJKLFN-SJORKVTESA-N 1 2 356.466 3.416 20 30 FGEDLO CC(C)c1ccc(/C=C/CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000494495037 503551043 /nfs/dbraw/zinc/55/10/43/503551043.db2.gz QXTUWFDGPDTDOG-HWKANZROSA-N 1 2 369.509 3.288 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000512690200 503613484 /nfs/dbraw/zinc/61/34/84/503613484.db2.gz HJXYDETYZMVCCE-MOPGFXCFSA-N 1 2 355.388 3.320 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000512690200 503613489 /nfs/dbraw/zinc/61/34/89/503613489.db2.gz HJXYDETYZMVCCE-MOPGFXCFSA-N 1 2 355.388 3.320 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2cccc(Br)c21 ZINC000516973614 503635373 /nfs/dbraw/zinc/63/53/73/503635373.db2.gz HSRWGHHXTODBQX-QGZVFWFLSA-N 1 2 360.255 3.176 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000527477357 503802471 /nfs/dbraw/zinc/80/24/71/503802471.db2.gz MCQQIMJDVHMNIK-UHFFFAOYSA-N 1 2 374.444 3.127 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000543536905 503804156 /nfs/dbraw/zinc/80/41/56/503804156.db2.gz FEIJRPZNWRJCLJ-GDBMZVCRSA-N 1 2 359.470 3.186 20 30 FGEDLO CC(C)OC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000533338571 503811165 /nfs/dbraw/zinc/81/11/65/503811165.db2.gz JCFBFCYPCPHLFF-CYBMUJFWSA-N 1 2 361.511 3.325 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccccn4)CC3)o2)c1 ZINC000533393068 503827744 /nfs/dbraw/zinc/82/77/44/503827744.db2.gz BHQIKBKNZWNZKI-UHFFFAOYSA-N 1 2 361.405 3.047 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(C4CC4)n3)C2=O)cc1 ZINC000543729178 503869428 /nfs/dbraw/zinc/86/94/28/503869428.db2.gz UXRAZQPQBRSALN-KRWDZBQOSA-N 1 2 352.463 3.177 20 30 FGEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000533606570 503901882 /nfs/dbraw/zinc/90/18/82/503901882.db2.gz FAFNEJVPBYKLCZ-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000533606570 503901884 /nfs/dbraw/zinc/90/18/84/503901884.db2.gz FAFNEJVPBYKLCZ-UHFFFAOYSA-N 1 2 360.454 3.382 20 30 FGEDLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990568 504010886 /nfs/dbraw/zinc/01/08/86/504010886.db2.gz JSYMBETXTSTVKA-QUCCMNQESA-N 1 2 357.498 3.440 20 30 FGEDLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990568 504010892 /nfs/dbraw/zinc/01/08/92/504010892.db2.gz JSYMBETXTSTVKA-QUCCMNQESA-N 1 2 357.498 3.440 20 30 FGEDLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990567 504011196 /nfs/dbraw/zinc/01/11/96/504011196.db2.gz JSYMBETXTSTVKA-ICSRJNTNSA-N 1 2 357.498 3.440 20 30 FGEDLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990567 504011202 /nfs/dbraw/zinc/01/12/02/504011202.db2.gz JSYMBETXTSTVKA-ICSRJNTNSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132678 504019952 /nfs/dbraw/zinc/01/99/52/504019952.db2.gz SQONQNXCTDCSCB-KKSFZXQISA-N 1 2 363.461 3.123 20 30 FGEDLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132678 504019957 /nfs/dbraw/zinc/01/99/57/504019957.db2.gz SQONQNXCTDCSCB-KKSFZXQISA-N 1 2 363.461 3.123 20 30 FGEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132675 504020028 /nfs/dbraw/zinc/02/00/28/504020028.db2.gz SQONQNXCTDCSCB-HRAATJIYSA-N 1 2 363.461 3.123 20 30 FGEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132675 504020033 /nfs/dbraw/zinc/02/00/33/504020033.db2.gz SQONQNXCTDCSCB-HRAATJIYSA-N 1 2 363.461 3.123 20 30 FGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cn2ccccc2[nH+]1 ZINC000530726102 504066441 /nfs/dbraw/zinc/06/64/41/504066441.db2.gz GIVILPPGFQBFHM-UHFFFAOYSA-N 1 2 372.350 3.204 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000544328772 504090652 /nfs/dbraw/zinc/09/06/52/504090652.db2.gz QSQASCHGIZCFDD-KRWDZBQOSA-N 1 2 350.413 3.047 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000534309347 504105435 /nfs/dbraw/zinc/10/54/35/504105435.db2.gz STNLLHHAYQOICM-UHFFFAOYSA-N 1 2 363.436 3.493 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022576 504118545 /nfs/dbraw/zinc/11/85/45/504118545.db2.gz VGTZOIZPQDXVIY-NVXWUHKLSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022576 504118550 /nfs/dbraw/zinc/11/85/50/504118550.db2.gz VGTZOIZPQDXVIY-NVXWUHKLSA-N 1 2 360.820 3.244 20 30 FGEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCCn1cc[nH+]c1 ZINC000530964209 504145318 /nfs/dbraw/zinc/14/53/18/504145318.db2.gz JVAPUFWIJGNHFU-UHFFFAOYSA-N 1 2 364.371 3.033 20 30 FGEDLO C[C@@]([NH2+]Cc1cccc(C#N)c1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000538150170 504147000 /nfs/dbraw/zinc/14/70/00/504147000.db2.gz MOGVBKLVFFXBCW-KRWDZBQOSA-N 1 2 365.330 3.206 20 30 FGEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000534548164 504172068 /nfs/dbraw/zinc/17/20/68/504172068.db2.gz OMOIGUWMFJGIHO-INIZCTEOSA-N 1 2 364.453 3.124 20 30 FGEDLO C=CC[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544684209 504216558 /nfs/dbraw/zinc/21/65/58/504216558.db2.gz JRTVQMXDDYFCTF-LLVKDONJSA-N 1 2 351.248 3.169 20 30 FGEDLO COc1ccc([C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C2CC2)cn1 ZINC000528852107 504415803 /nfs/dbraw/zinc/41/58/03/504415803.db2.gz ZIFVPFYIDUOTAA-LJQANCHMSA-N 1 2 361.405 3.253 20 30 FGEDLO CCN1CCN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000520222214 504439626 /nfs/dbraw/zinc/43/96/26/504439626.db2.gz GGVIPPWVJJIJDG-INIZCTEOSA-N 1 2 366.856 3.366 20 30 FGEDLO C=CC[N@H+](Cc1ncc(C2CC2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000535570821 504473572 /nfs/dbraw/zinc/47/35/72/504473572.db2.gz ZOUHQRREBWAUMH-AWEZNQCLSA-N 1 2 350.426 3.277 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(C2CC2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000535570821 504473578 /nfs/dbraw/zinc/47/35/78/504473578.db2.gz ZOUHQRREBWAUMH-AWEZNQCLSA-N 1 2 350.426 3.277 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000539338550 504533953 /nfs/dbraw/zinc/53/39/53/504533953.db2.gz FKMVOIMHNGCEON-UHFFFAOYSA-N 1 2 350.422 3.125 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000548798909 504570744 /nfs/dbraw/zinc/57/07/44/504570744.db2.gz SEBTVKZBEJRRNN-UHFFFAOYSA-N 1 2 357.461 3.384 20 30 FGEDLO N#CC1(c2ccccn2)CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000548798909 504570749 /nfs/dbraw/zinc/57/07/49/504570749.db2.gz SEBTVKZBEJRRNN-UHFFFAOYSA-N 1 2 357.461 3.384 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)sc1SCC#N ZINC000521056410 504639753 /nfs/dbraw/zinc/63/97/53/504639753.db2.gz FVSSRGXLUCKPSG-CYBMUJFWSA-N 1 2 372.519 3.453 20 30 FGEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)sc1SCC#N ZINC000521056410 504639757 /nfs/dbraw/zinc/63/97/57/504639757.db2.gz FVSSRGXLUCKPSG-CYBMUJFWSA-N 1 2 372.519 3.453 20 30 FGEDLO CC(C)(C)c1[nH]n(Cc2[nH+]ccn2CC(F)(F)F)c(=O)c1CCC#N ZINC000536154337 504650916 /nfs/dbraw/zinc/65/09/16/504650916.db2.gz GKEJSRUENDBTIH-UHFFFAOYSA-N 1 2 355.364 3.149 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)C2 ZINC000565206667 504825361 /nfs/dbraw/zinc/82/53/61/504825361.db2.gz XMNYYFBSFNLACE-GFCCVEGCSA-N 1 2 358.392 3.104 20 30 FGEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)CC2 ZINC000565206667 504825366 /nfs/dbraw/zinc/82/53/66/504825366.db2.gz XMNYYFBSFNLACE-GFCCVEGCSA-N 1 2 358.392 3.104 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000559350502 504843765 /nfs/dbraw/zinc/84/37/65/504843765.db2.gz MZLNVWLLDIMUAT-GDBMZVCRSA-N 1 2 350.466 3.304 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000559350502 504843770 /nfs/dbraw/zinc/84/37/70/504843770.db2.gz MZLNVWLLDIMUAT-GDBMZVCRSA-N 1 2 350.466 3.304 20 30 FGEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC2 ZINC000559473872 504870845 /nfs/dbraw/zinc/87/08/45/504870845.db2.gz IRNIDJHAJJZBHR-HXUWFJFHSA-N 1 2 363.486 3.237 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)cn2c1 ZINC000556510643 504893056 /nfs/dbraw/zinc/89/30/56/504893056.db2.gz LGGYDFHEMDILHG-UHFFFAOYSA-N 1 2 371.347 3.438 20 30 FGEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3cccc(C#N)c3)ccc2n1C1CC1 ZINC000559640563 504903222 /nfs/dbraw/zinc/90/32/22/504903222.db2.gz YUFWHBXKDUBLSK-UHFFFAOYSA-N 1 2 366.446 3.030 20 30 FGEDLO CCCOc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000565662158 504952129 /nfs/dbraw/zinc/95/21/29/504952129.db2.gz YJTQAJVYJGYVBQ-UHFFFAOYSA-N 1 2 356.495 3.434 20 30 FGEDLO CCCN1C(=O)C2(CCCCC2)[NH2+]C12CCN(c1ccc(C#N)cc1)CC2 ZINC000563346846 505116496 /nfs/dbraw/zinc/11/64/96/505116496.db2.gz BHAFKQUUSOUEPJ-UHFFFAOYSA-N 1 2 366.509 3.399 20 30 FGEDLO Cc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000566305922 505139710 /nfs/dbraw/zinc/13/97/10/505139710.db2.gz AXCKFYBIVOPZDE-JOCHJYFZSA-N 1 2 364.493 3.447 20 30 FGEDLO Cc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000566305922 505139716 /nfs/dbraw/zinc/13/97/16/505139716.db2.gz AXCKFYBIVOPZDE-JOCHJYFZSA-N 1 2 364.493 3.447 20 30 FGEDLO COC(=O)c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(C#N)n1 ZINC000563549360 505173943 /nfs/dbraw/zinc/17/39/43/505173943.db2.gz PVRSBCOJLNHFNB-UHFFFAOYSA-N 1 2 365.437 3.127 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000563869847 505262662 /nfs/dbraw/zinc/26/26/62/505262662.db2.gz RHERSCNXEHBNQD-RDJZCZTQSA-N 1 2 356.474 3.454 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551734834 505293788 /nfs/dbraw/zinc/29/37/88/505293788.db2.gz NOLMVVYAWCZJOH-QFIPXVFZSA-N 1 2 361.445 3.467 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551734834 505293794 /nfs/dbraw/zinc/29/37/94/505293794.db2.gz NOLMVVYAWCZJOH-QFIPXVFZSA-N 1 2 361.445 3.467 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000564142569 505335965 /nfs/dbraw/zinc/33/59/65/505335965.db2.gz OMXBSKLWHRNEKQ-SFHVURJKSA-N 1 2 369.852 3.451 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000561767519 505432012 /nfs/dbraw/zinc/43/20/12/505432012.db2.gz YSTYNIDPKBJNTM-UHFFFAOYSA-N 1 2 360.889 3.170 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000552241311 505438153 /nfs/dbraw/zinc/43/81/53/505438153.db2.gz JUXGWGPKEASGAZ-NSHDSACASA-N 1 2 357.907 3.402 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000552241311 505438157 /nfs/dbraw/zinc/43/81/57/505438157.db2.gz JUXGWGPKEASGAZ-NSHDSACASA-N 1 2 357.907 3.402 20 30 FGEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555651480 505486269 /nfs/dbraw/zinc/48/62/69/505486269.db2.gz ZRNZTMHLDZGPIQ-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C#N ZINC000599316569 506408598 /nfs/dbraw/zinc/40/85/98/506408598.db2.gz CTMKYMARQDKPQY-UHFFFAOYSA-N 1 2 373.416 3.309 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc2ccccc21 ZINC000593154246 506429129 /nfs/dbraw/zinc/42/91/29/506429129.db2.gz BAMNZUFSUSTKFM-QGZVFWFLSA-N 1 2 360.255 3.176 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000593155787 506429354 /nfs/dbraw/zinc/42/93/54/506429354.db2.gz BWGAZROQVLECTE-FQEVSTJZSA-N 1 2 371.868 3.493 20 30 FGEDLO C[C@H]1C[NH+](CC(=O)Nc2ccccc2SCC#N)C[C@H](C)C1(F)F ZINC000599513718 506480380 /nfs/dbraw/zinc/48/03/80/506480380.db2.gz SURHAYAGOHQUIB-STQMWFEESA-N 1 2 353.438 3.464 20 30 FGEDLO COC(=O)[C@]1([NH2+]CCC(=O)Nc2sccc2C#N)CCCC(C)(C)C1 ZINC000599561195 506502960 /nfs/dbraw/zinc/50/29/60/506502960.db2.gz NIEQWYIZOXAGIF-SFHVURJKSA-N 1 2 363.483 3.050 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589282867 506507371 /nfs/dbraw/zinc/50/73/71/506507371.db2.gz GGQMHCHGACBBQI-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603436179 506513710 /nfs/dbraw/zinc/51/37/10/506513710.db2.gz MTPUMRXQKRARAA-JQFCIGGWSA-N 1 2 355.417 3.362 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636857 506543638 /nfs/dbraw/zinc/54/36/38/506543638.db2.gz QTBRJLVHQCRWIA-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599636857 506543642 /nfs/dbraw/zinc/54/36/42/506543642.db2.gz QTBRJLVHQCRWIA-CYBMUJFWSA-N 1 2 353.388 3.072 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@](C)(C#N)C3)c2C1 ZINC000612367153 506545790 /nfs/dbraw/zinc/54/57/90/506545790.db2.gz BLBVAYOSCYIWKA-JOCHJYFZSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@](C)(C#N)C3)c2C1 ZINC000612367153 506545796 /nfs/dbraw/zinc/54/57/96/506545796.db2.gz BLBVAYOSCYIWKA-JOCHJYFZSA-N 1 2 362.477 3.379 20 30 FGEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OCC(F)F ZINC000583051442 506560304 /nfs/dbraw/zinc/56/03/04/506560304.db2.gz PBZYYCVCUSRBHR-LBPRGKRZSA-N 1 2 354.397 3.472 20 30 FGEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OCC(F)F ZINC000583051442 506560311 /nfs/dbraw/zinc/56/03/11/506560311.db2.gz PBZYYCVCUSRBHR-LBPRGKRZSA-N 1 2 354.397 3.472 20 30 FGEDLO N#CC1(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCCC1 ZINC000596726266 506562657 /nfs/dbraw/zinc/56/26/57/506562657.db2.gz AXNVAFVOBXHIJI-IBGZPJMESA-N 1 2 355.482 3.040 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3ccccc3s1)C2 ZINC000599676359 506572938 /nfs/dbraw/zinc/57/29/38/506572938.db2.gz BNAGZEFYGRWQRU-UHFFFAOYSA-N 1 2 362.458 3.359 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1nc3ccccc3s1)C2 ZINC000599676359 506572944 /nfs/dbraw/zinc/57/29/44/506572944.db2.gz BNAGZEFYGRWQRU-UHFFFAOYSA-N 1 2 362.458 3.359 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cc1nc(CCc3ccccc3)no1)C2 ZINC000599677694 506573886 /nfs/dbraw/zinc/57/38/86/506573886.db2.gz CFMFINPAQYUOHN-UHFFFAOYSA-N 1 2 358.445 3.479 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nc(CCc3ccccc3)no1)C2 ZINC000599677694 506573891 /nfs/dbraw/zinc/57/38/91/506573891.db2.gz CFMFINPAQYUOHN-UHFFFAOYSA-N 1 2 358.445 3.479 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1nc3c(s1)CCCC3)C2 ZINC000599678894 506575406 /nfs/dbraw/zinc/57/54/06/506575406.db2.gz YYACTYIWEVNQLQ-UHFFFAOYSA-N 1 2 366.490 3.085 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1nc3c(s1)CCCC3)C2 ZINC000599678894 506575413 /nfs/dbraw/zinc/57/54/13/506575413.db2.gz YYACTYIWEVNQLQ-UHFFFAOYSA-N 1 2 366.490 3.085 20 30 FGEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599680634 506576602 /nfs/dbraw/zinc/57/66/02/506576602.db2.gz VGKKJBBCEOERIX-HNNXBMFYSA-N 1 2 371.412 3.344 20 30 FGEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599680634 506576608 /nfs/dbraw/zinc/57/66/08/506576608.db2.gz VGKKJBBCEOERIX-HNNXBMFYSA-N 1 2 371.412 3.344 20 30 FGEDLO C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680904 506576705 /nfs/dbraw/zinc/57/67/05/506576705.db2.gz JPBJFJUHTVHOPI-RTBURBONSA-N 1 2 374.431 3.496 20 30 FGEDLO C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680904 506576711 /nfs/dbraw/zinc/57/67/11/506576711.db2.gz JPBJFJUHTVHOPI-RTBURBONSA-N 1 2 374.431 3.496 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCN(c3c(F)cccc3F)C1=O)C2 ZINC000599679666 506576981 /nfs/dbraw/zinc/57/69/81/506576981.db2.gz WUGVJZLYDZEAOB-IBGZPJMESA-N 1 2 367.399 3.194 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CCN(c3c(F)cccc3F)C1=O)C2 ZINC000599679666 506576988 /nfs/dbraw/zinc/57/69/88/506576988.db2.gz WUGVJZLYDZEAOB-IBGZPJMESA-N 1 2 367.399 3.194 20 30 FGEDLO C=CCN(CCC[NH+]1CCOCC1)Cc1cc(Br)ccc1F ZINC000608494020 506586558 /nfs/dbraw/zinc/58/65/58/506586558.db2.gz KHERCNOLGZZDHK-UHFFFAOYSA-N 1 2 371.294 3.299 20 30 FGEDLO Cc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCOCC2)cc1 ZINC000603871486 506643641 /nfs/dbraw/zinc/64/36/41/506643641.db2.gz MZLRIXNUMMAAST-FQEVSTJZSA-N 1 2 350.466 3.364 20 30 FGEDLO COc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1C#N ZINC000599817555 506653520 /nfs/dbraw/zinc/65/35/20/506653520.db2.gz WMCNBJDTLKLZDP-LRDDRELGSA-N 1 2 357.389 3.017 20 30 FGEDLO COc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1C#N ZINC000599817556 506653770 /nfs/dbraw/zinc/65/37/70/506653770.db2.gz WMCNBJDTLKLZDP-MLGOLLRUSA-N 1 2 357.389 3.017 20 30 FGEDLO CCCn1nccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000596992979 506719541 /nfs/dbraw/zinc/71/95/41/506719541.db2.gz JAMJFAZMQACCAJ-UHFFFAOYSA-N 1 2 360.465 3.035 20 30 FGEDLO Cn1ccc2c1cccc2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000608893677 506738823 /nfs/dbraw/zinc/73/88/23/506738823.db2.gz ZCNMRAYTMZDQHO-UHFFFAOYSA-N 1 2 373.460 3.400 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C(=O)c1cscn1 ZINC000597148395 506799070 /nfs/dbraw/zinc/79/90/70/506799070.db2.gz DFLBWLJNWXVQGF-HNNXBMFYSA-N 1 2 366.490 3.045 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C(=O)c1cscn1 ZINC000597148395 506799081 /nfs/dbraw/zinc/79/90/81/506799081.db2.gz DFLBWLJNWXVQGF-HNNXBMFYSA-N 1 2 366.490 3.045 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000609234436 506821533 /nfs/dbraw/zinc/82/15/33/506821533.db2.gz ZGBMJUPQIAIWII-SFHVURJKSA-N 1 2 353.422 3.170 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000609234436 506821537 /nfs/dbraw/zinc/82/15/37/506821537.db2.gz ZGBMJUPQIAIWII-SFHVURJKSA-N 1 2 353.422 3.170 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000593968027 506857622 /nfs/dbraw/zinc/85/76/22/506857622.db2.gz IAERUIRFLNDFQY-KRWDZBQOSA-N 1 2 363.461 3.208 20 30 FGEDLO N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000604528310 506862405 /nfs/dbraw/zinc/86/24/05/506862405.db2.gz XDQMMNKNYPOPBW-UHFFFAOYSA-N 1 2 350.344 3.126 20 30 FGEDLO N#Cc1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)ccc1F ZINC000590566464 506863597 /nfs/dbraw/zinc/86/35/97/506863597.db2.gz JOYYXZQWVINZDO-UHFFFAOYSA-N 1 2 354.772 3.466 20 30 FGEDLO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@H](C)C#N ZINC000590648908 506894166 /nfs/dbraw/zinc/89/41/66/506894166.db2.gz KNIAKZIYERUGOU-SNVBAGLBSA-N 1 2 367.236 3.215 20 30 FGEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000594052062 506909165 /nfs/dbraw/zinc/90/91/65/506909165.db2.gz CZIZQSQOHMHJPC-UHFFFAOYSA-N 1 2 373.482 3.041 20 30 FGEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000594052062 506909172 /nfs/dbraw/zinc/90/91/72/506909172.db2.gz CZIZQSQOHMHJPC-UHFFFAOYSA-N 1 2 373.482 3.041 20 30 FGEDLO N#Cc1ccc(F)c(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000609564447 506923703 /nfs/dbraw/zinc/92/37/03/506923703.db2.gz UXFZNZJYSRZRBT-HXUWFJFHSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CC#N)C2=O)ccc1Br ZINC000613261894 506997970 /nfs/dbraw/zinc/99/79/70/506997970.db2.gz RGFWVHIJWIYJOG-WFASDCNBSA-N 1 2 350.260 3.145 20 30 FGEDLO CC(C)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609792203 507003310 /nfs/dbraw/zinc/00/33/10/507003310.db2.gz MYRIZTUKFBTOAO-UHFFFAOYSA-N 1 2 361.489 3.471 20 30 FGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000590961699 507062653 /nfs/dbraw/zinc/06/26/53/507062653.db2.gz IYLOOUQXZCRDAT-BXUZGUMPSA-N 1 2 351.244 3.392 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1Cl ZINC000590972402 507066871 /nfs/dbraw/zinc/06/68/71/507066871.db2.gz QECGNUIWDIMVHP-QAPCUYQASA-N 1 2 361.873 3.006 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1Cl ZINC000590972402 507066877 /nfs/dbraw/zinc/06/68/77/507066877.db2.gz QECGNUIWDIMVHP-QAPCUYQASA-N 1 2 361.873 3.006 20 30 FGEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000594293382 507067352 /nfs/dbraw/zinc/06/73/52/507067352.db2.gz SJWBIZGDVHEAHB-LIRRHRJNSA-N 1 2 371.431 3.434 20 30 FGEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)c2ccc(Cl)cc2)CCOCC1 ZINC000600741844 507093271 /nfs/dbraw/zinc/09/32/71/507093271.db2.gz QUGLBFODPXPQMB-OAHLLOKOSA-N 1 2 358.816 3.093 20 30 FGEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000594543747 507177989 /nfs/dbraw/zinc/17/79/89/507177989.db2.gz MMZMZDUISKHVLY-ZDUSSCGKSA-N 1 2 364.478 3.028 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000591406492 507237964 /nfs/dbraw/zinc/23/79/64/507237964.db2.gz JKTMRAIBHDAGGL-ZWKOTPCHSA-N 1 2 363.465 3.462 20 30 FGEDLO C[C@H](C#N)N(C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)C1CC1 ZINC000598134810 507273393 /nfs/dbraw/zinc/27/33/93/507273393.db2.gz ZLJUJRZZDUSOKE-CQSZACIVSA-N 1 2 364.449 3.060 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820189 507377745 /nfs/dbraw/zinc/37/77/45/507377745.db2.gz GYFCZGGGWDDWGJ-RDTXWAMCSA-N 1 2 368.506 3.377 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820189 507377754 /nfs/dbraw/zinc/37/77/54/507377754.db2.gz GYFCZGGGWDDWGJ-RDTXWAMCSA-N 1 2 368.506 3.377 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NCC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595090671 507386645 /nfs/dbraw/zinc/38/66/45/507386645.db2.gz KPNKDFQWGUBYDM-QGZVFWFLSA-N 1 2 353.426 3.481 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)nc1 ZINC000595295371 507452007 /nfs/dbraw/zinc/45/20/07/507452007.db2.gz KQDKRMRGBOZBCO-UHFFFAOYSA-N 1 2 362.355 3.016 20 30 FGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595398312 507481573 /nfs/dbraw/zinc/48/15/73/507481573.db2.gz OUHQFEUBRXEIRS-KRWDZBQOSA-N 1 2 350.388 3.243 20 30 FGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000592100520 507483473 /nfs/dbraw/zinc/48/34/73/507483473.db2.gz XUOSJKJXBWGXQX-QGZVFWFLSA-N 1 2 350.470 3.499 20 30 FGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000592100520 507483479 /nfs/dbraw/zinc/48/34/79/507483479.db2.gz XUOSJKJXBWGXQX-QGZVFWFLSA-N 1 2 350.470 3.499 20 30 FGEDLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccncc3C#N)CC2)c1 ZINC000592121028 507490584 /nfs/dbraw/zinc/49/05/84/507490584.db2.gz MIBWGKVNWSCDFV-UHFFFAOYSA-N 1 2 355.413 3.431 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000595424535 507491470 /nfs/dbraw/zinc/49/14/70/507491470.db2.gz FQJMRELFUWLDQA-GOSISDBHSA-N 1 2 373.378 3.293 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000595424535 507491477 /nfs/dbraw/zinc/49/14/77/507491477.db2.gz FQJMRELFUWLDQA-GOSISDBHSA-N 1 2 373.378 3.293 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000614396099 507496384 /nfs/dbraw/zinc/49/63/84/507496384.db2.gz VGXVZPCIKATPJM-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000614402957 507497807 /nfs/dbraw/zinc/49/78/07/507497807.db2.gz ZZGFYYIHWZHDOU-UHFFFAOYSA-N 1 2 353.853 3.365 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000614402957 507497812 /nfs/dbraw/zinc/49/78/12/507497812.db2.gz ZZGFYYIHWZHDOU-UHFFFAOYSA-N 1 2 353.853 3.365 20 30 FGEDLO CC(C)(C#N)C[C@H](O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000598584805 507506487 /nfs/dbraw/zinc/50/64/87/507506487.db2.gz WBVMFJHZUMEOHG-KRWDZBQOSA-N 1 2 369.431 3.124 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149217 507509761 /nfs/dbraw/zinc/50/97/61/507509761.db2.gz KTNLSUSLRPBEOE-KKSFZXQISA-N 1 2 365.433 3.156 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149217 507509773 /nfs/dbraw/zinc/50/97/73/507509773.db2.gz KTNLSUSLRPBEOE-KKSFZXQISA-N 1 2 365.433 3.156 20 30 FGEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nc(C)n1 ZINC000595463904 507511091 /nfs/dbraw/zinc/51/10/91/507511091.db2.gz CQOWUUQLFZWPQN-LJQANCHMSA-N 1 2 355.873 3.129 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000611119663 507522392 /nfs/dbraw/zinc/52/23/92/507522392.db2.gz LSJSHLUWPPIWQI-LJQANCHMSA-N 1 2 373.460 3.320 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258433 507585288 /nfs/dbraw/zinc/58/52/88/507585288.db2.gz OZFGDEYALZSKNV-UHFFFAOYSA-N 1 2 354.841 3.425 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613183 507591570 /nfs/dbraw/zinc/59/15/70/507591570.db2.gz ALVTYGQJSNFXDA-GFCCVEGCSA-N 1 2 370.316 3.095 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613183 507591575 /nfs/dbraw/zinc/59/15/75/507591575.db2.gz ALVTYGQJSNFXDA-GFCCVEGCSA-N 1 2 370.316 3.095 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000595617248 507593152 /nfs/dbraw/zinc/59/31/52/507593152.db2.gz HOLZWHVYCAREAE-NRFANRHFSA-N 1 2 355.482 3.051 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000595617248 507593156 /nfs/dbraw/zinc/59/31/56/507593156.db2.gz HOLZWHVYCAREAE-NRFANRHFSA-N 1 2 355.482 3.051 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615741 507593427 /nfs/dbraw/zinc/59/34/27/507593427.db2.gz SKCBHMWNAZZJDW-KBPBESRZSA-N 1 2 363.483 3.186 20 30 FGEDLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615741 507593431 /nfs/dbraw/zinc/59/34/31/507593431.db2.gz SKCBHMWNAZZJDW-KBPBESRZSA-N 1 2 363.483 3.186 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000595630590 507601716 /nfs/dbraw/zinc/60/17/16/507601716.db2.gz FVDTUEBZEYBMDZ-UHFFFAOYSA-N 1 2 363.490 3.187 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595632079 507603287 /nfs/dbraw/zinc/60/32/87/507603287.db2.gz LQXLMHJCNWVKBY-INIZCTEOSA-N 1 2 368.506 3.386 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665010 507609470 /nfs/dbraw/zinc/60/94/70/507609470.db2.gz KLWFURGRAYFCQA-PKOBYXMFSA-N 1 2 368.481 3.148 20 30 FGEDLO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665010 507609478 /nfs/dbraw/zinc/60/94/78/507609478.db2.gz KLWFURGRAYFCQA-PKOBYXMFSA-N 1 2 368.481 3.148 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602162453 507610208 /nfs/dbraw/zinc/61/02/08/507610208.db2.gz BIEBVYWPFSDHSJ-JKSUJKDBSA-N 1 2 362.355 3.442 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cn2)c1 ZINC000614680985 507617737 /nfs/dbraw/zinc/61/77/37/507617737.db2.gz COZPJXALASMKSB-HNNXBMFYSA-N 1 2 374.404 3.079 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000595674190 507622549 /nfs/dbraw/zinc/62/25/49/507622549.db2.gz JKVQJSXCIGAKBB-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000595674190 507622558 /nfs/dbraw/zinc/62/25/58/507622558.db2.gz JKVQJSXCIGAKBB-SFHVURJKSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000611348298 507634520 /nfs/dbraw/zinc/63/45/20/507634520.db2.gz UIOLGICUAJVTJB-QGZVFWFLSA-N 1 2 360.461 3.435 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000611348298 507634531 /nfs/dbraw/zinc/63/45/31/507634531.db2.gz UIOLGICUAJVTJB-QGZVFWFLSA-N 1 2 360.461 3.435 20 30 FGEDLO Cc1ccc(C#N)nc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000611398787 507662913 /nfs/dbraw/zinc/66/29/13/507662913.db2.gz BSRHYDUDDAGCII-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000611413789 507671398 /nfs/dbraw/zinc/67/13/98/507671398.db2.gz UVQUCQGCXIOVCG-UHFFFAOYSA-N 1 2 363.202 3.413 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000611413789 507671399 /nfs/dbraw/zinc/67/13/99/507671399.db2.gz UVQUCQGCXIOVCG-UHFFFAOYSA-N 1 2 363.202 3.413 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595761386 507672838 /nfs/dbraw/zinc/67/28/38/507672838.db2.gz VNEOZNKIJQQLJF-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595761386 507672845 /nfs/dbraw/zinc/67/28/45/507672845.db2.gz VNEOZNKIJQQLJF-INIZCTEOSA-N 1 2 359.426 3.161 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379830 608399849 /nfs/dbraw/zinc/39/98/49/608399849.db2.gz DDPKMHBRYPFRKD-MSOLQXFVSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826379830 608399850 /nfs/dbraw/zinc/39/98/50/608399850.db2.gz DDPKMHBRYPFRKD-MSOLQXFVSA-N 1 2 362.412 3.278 20 30 FGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)C1CCCCC1 ZINC000078696020 700285432 /nfs/dbraw/zinc/28/54/32/700285432.db2.gz UFQYZBXQUVAGQK-ZDUSSCGKSA-N 1 2 351.878 3.351 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(N(CCC)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361539 700435104 /nfs/dbraw/zinc/43/51/04/700435104.db2.gz USPZLIWXNQKRTC-HXUWFJFHSA-N 1 2 364.555 3.488 20 30 FGEDLO C=CC[N@H+](Cc1ccc(N(CCC)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361539 700435107 /nfs/dbraw/zinc/43/51/07/700435107.db2.gz USPZLIWXNQKRTC-HXUWFJFHSA-N 1 2 364.555 3.488 20 30 FGEDLO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125916433 700741429 /nfs/dbraw/zinc/74/14/29/700741429.db2.gz MJNRSCXHYPMREL-INIZCTEOSA-N 1 2 357.475 3.295 20 30 FGEDLO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125916433 700741430 /nfs/dbraw/zinc/74/14/30/700741430.db2.gz MJNRSCXHYPMREL-INIZCTEOSA-N 1 2 357.475 3.295 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174726335 705516419 /nfs/dbraw/zinc/51/64/19/705516419.db2.gz JFDXUBRNKCNUMC-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177623696 705631277 /nfs/dbraw/zinc/63/12/77/705631277.db2.gz KWGGRZLDKIYZHL-XAUUPUKJSA-N 1 2 362.905 3.486 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177623696 705631280 /nfs/dbraw/zinc/63/12/80/705631280.db2.gz KWGGRZLDKIYZHL-XAUUPUKJSA-N 1 2 362.905 3.486 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)[N@H+](C)C1 ZINC000328951506 713826699 /nfs/dbraw/zinc/82/66/99/713826699.db2.gz LRCRGJJOGWCZNS-ZFWWWQNUSA-N 1 2 359.451 3.052 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)[N@@H+](C)C1 ZINC000328951506 713826705 /nfs/dbraw/zinc/82/67/05/713826705.db2.gz LRCRGJJOGWCZNS-ZFWWWQNUSA-N 1 2 359.451 3.052 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3cccc(Br)c3)s2)N1 ZINC000779799775 724427651 /nfs/dbraw/zinc/42/76/51/724427651.db2.gz XWIDBZYSCIDLED-SNVBAGLBSA-N 1 2 363.284 3.449 20 30 FGEDLO C=C(C)[C@H](CO)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000649389793 718510677 /nfs/dbraw/zinc/51/06/77/718510677.db2.gz GJHXTDULBKUJMP-DOMZBBRYSA-N 1 2 350.463 3.058 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662053985 720365880 /nfs/dbraw/zinc/36/58/80/720365880.db2.gz BZMSIRBVWMIOKA-SWLSCSKDSA-N 1 2 357.281 3.206 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662056591 720367123 /nfs/dbraw/zinc/36/71/23/720367123.db2.gz SRUOFFVQRHOCAQ-DOMZBBRYSA-N 1 2 359.297 3.430 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1I ZINC000783301572 724745745 /nfs/dbraw/zinc/74/57/45/724745745.db2.gz YSYQPCKJUOPMBS-LLVKDONJSA-N 1 2 363.202 3.409 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783970907 724808675 /nfs/dbraw/zinc/80/86/75/724808675.db2.gz DETLCKZWAMMNKR-CYBMUJFWSA-N 1 2 364.902 3.097 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000677898568 721923405 /nfs/dbraw/zinc/92/34/05/721923405.db2.gz KNEAKFBVUHROKY-OAHLLOKOSA-N 1 2 359.495 3.187 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000677898568 721923406 /nfs/dbraw/zinc/92/34/06/721923406.db2.gz KNEAKFBVUHROKY-OAHLLOKOSA-N 1 2 359.495 3.187 20 30 FGEDLO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679499051 722030822 /nfs/dbraw/zinc/03/08/22/722030822.db2.gz WQVSBYGFGSYGJB-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679499051 722030825 /nfs/dbraw/zinc/03/08/25/722030825.db2.gz WQVSBYGFGSYGJB-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000784336321 724844613 /nfs/dbraw/zinc/84/46/13/724844613.db2.gz GAVRJPKICBTDBS-HNNXBMFYSA-N 1 2 351.372 3.405 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CCC1 ZINC000784336321 724844615 /nfs/dbraw/zinc/84/46/15/724844615.db2.gz GAVRJPKICBTDBS-HNNXBMFYSA-N 1 2 351.372 3.405 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2C(F)(F)F)cc1 ZINC000733308010 722495389 /nfs/dbraw/zinc/49/53/89/722495389.db2.gz XRJIBAATVXUDEO-UHFFFAOYSA-N 1 2 354.328 3.430 20 30 FGEDLO C=C(Cl)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000735925423 722520369 /nfs/dbraw/zinc/52/03/69/722520369.db2.gz HJCOKQILKJIFCG-UHFFFAOYSA-N 1 2 354.712 3.387 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736398775 722523092 /nfs/dbraw/zinc/52/30/92/722523092.db2.gz FTQFYNDGBYHFPR-AWEZNQCLSA-N 1 2 360.260 3.495 20 30 FGEDLO C=C(Cl)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736398775 722523093 /nfs/dbraw/zinc/52/30/93/722523093.db2.gz FTQFYNDGBYHFPR-AWEZNQCLSA-N 1 2 360.260 3.495 20 30 FGEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472434 722603703 /nfs/dbraw/zinc/60/37/03/722603703.db2.gz PKYFMFGBTZCTJV-DOTOQJQBSA-N 1 2 370.902 3.030 20 30 FGEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472434 722603704 /nfs/dbraw/zinc/60/37/04/722603704.db2.gz PKYFMFGBTZCTJV-DOTOQJQBSA-N 1 2 370.902 3.030 20 30 FGEDLO CCOc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753957001 722920117 /nfs/dbraw/zinc/92/01/17/722920117.db2.gz ZSJHUNUZIUQBJR-GFCCVEGCSA-N 1 2 357.483 3.093 20 30 FGEDLO CCOc1ccc(C2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000753957001 722920119 /nfs/dbraw/zinc/92/01/19/722920119.db2.gz ZSJHUNUZIUQBJR-GFCCVEGCSA-N 1 2 357.483 3.093 20 30 FGEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)nc1C ZINC000755021826 722949389 /nfs/dbraw/zinc/94/93/89/722949389.db2.gz INDZFJQXRXPBEI-CYBMUJFWSA-N 1 2 359.451 3.381 20 30 FGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000755814796 722957293 /nfs/dbraw/zinc/95/72/93/722957293.db2.gz QGRBNLDOJRAXQI-IAGOWNOFSA-N 1 2 356.861 3.028 20 30 FGEDLO COc1ccc(NC(=S)N[NH+]=C(C)c2ccc(N)cc2C)cc1OC ZINC000758099034 722984204 /nfs/dbraw/zinc/98/42/04/722984204.db2.gz HRZNLJBJTIXUFH-UHFFFAOYSA-N 1 2 358.467 3.305 20 30 FGEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N)cc1C ZINC000758120605 722984662 /nfs/dbraw/zinc/98/46/62/722984662.db2.gz NMKGAKNMVSEDHJ-UHFFFAOYSA-N 1 2 353.394 3.410 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1=O ZINC000758183716 722985749 /nfs/dbraw/zinc/98/57/49/722985749.db2.gz ZLQCDDRWWODAHJ-HNNXBMFYSA-N 1 2 350.447 3.167 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1=O ZINC000758183716 722985750 /nfs/dbraw/zinc/98/57/50/722985750.db2.gz ZLQCDDRWWODAHJ-HNNXBMFYSA-N 1 2 350.447 3.167 20 30 FGEDLO N#Cc1c(=O)n(C[NH+]2CCC(c3ccsc3)CC2)cc2c1CCCC2 ZINC000793517161 723445512 /nfs/dbraw/zinc/44/55/12/723445512.db2.gz QPCHAGQCMKUIBX-UHFFFAOYSA-N 1 2 353.491 3.497 20 30 FGEDLO COc1cccc(C[N@H+](CC(C)C)Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794624738 723536132 /nfs/dbraw/zinc/53/61/32/723536132.db2.gz ZJFDNGYXXQGWTK-UHFFFAOYSA-N 1 2 359.499 3.141 20 30 FGEDLO COc1cccc(C[N@@H+](CC(C)C)Cn2nc(CC#N)n(C)c2=S)c1 ZINC000794624738 723536135 /nfs/dbraw/zinc/53/61/35/723536135.db2.gz ZJFDNGYXXQGWTK-UHFFFAOYSA-N 1 2 359.499 3.141 20 30 FGEDLO CC[C@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794637185 723537395 /nfs/dbraw/zinc/53/73/95/723537395.db2.gz PVMGCNDBJCXSIZ-DOTOQJQBSA-N 1 2 355.511 3.490 20 30 FGEDLO CC[C@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC[C@H]1c1ccccc1 ZINC000794637185 723537397 /nfs/dbraw/zinc/53/73/97/723537397.db2.gz PVMGCNDBJCXSIZ-DOTOQJQBSA-N 1 2 355.511 3.490 20 30 FGEDLO CN1C(=O)CCc2cc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)ccc21 ZINC000794704216 723541986 /nfs/dbraw/zinc/54/19/86/723541986.db2.gz YFCOZGZVVYBOES-BQYQJAHWSA-N 1 2 355.463 3.010 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000767098282 723606837 /nfs/dbraw/zinc/60/68/37/723606837.db2.gz KGVCVEZKKDQFGY-WBVHZDCISA-N 1 2 352.400 3.405 20 30 FGEDLO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000767098282 723606838 /nfs/dbraw/zinc/60/68/38/723606838.db2.gz KGVCVEZKKDQFGY-WBVHZDCISA-N 1 2 352.400 3.405 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000769473565 723686588 /nfs/dbraw/zinc/68/65/88/723686588.db2.gz PAUWMVKGIUWPCU-HNNXBMFYSA-N 1 2 358.463 3.013 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000769473565 723686589 /nfs/dbraw/zinc/68/65/89/723686589.db2.gz PAUWMVKGIUWPCU-HNNXBMFYSA-N 1 2 358.463 3.013 20 30 FGEDLO Brc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccn1 ZINC000769798376 723695911 /nfs/dbraw/zinc/69/59/11/723695911.db2.gz GSWQOGYRWPOVAG-UHFFFAOYSA-N 1 2 367.272 3.188 20 30 FGEDLO N#CC1(CCCO[NH+]=C(N)c2ccc(Br)cc2)CCOCC1 ZINC000799176457 723995130 /nfs/dbraw/zinc/99/51/30/723995130.db2.gz UFEILZOYVURTHU-UHFFFAOYSA-N 1 2 366.259 3.187 20 30 FGEDLO N#Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000799750971 724092270 /nfs/dbraw/zinc/09/22/70/724092270.db2.gz HTSXMRSTIYXJOL-UHFFFAOYSA-N 1 2 373.821 3.224 20 30 FGEDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000811645634 725375682 /nfs/dbraw/zinc/37/56/82/725375682.db2.gz UMSDIGYMAICQNM-RYUDHWBXSA-N 1 2 356.213 3.096 20 30 FGEDLO C#C[C@H](C)N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000812000637 725387002 /nfs/dbraw/zinc/38/70/02/725387002.db2.gz CCQVYNZVMUKGFN-XJKSGUPXSA-N 1 2 351.853 3.279 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)c1=O ZINC000817361549 727243430 /nfs/dbraw/zinc/24/34/30/727243430.db2.gz GEZYMYSHYYHRJR-INIZCTEOSA-N 1 2 372.266 3.147 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c1=O ZINC000817361549 727243431 /nfs/dbraw/zinc/24/34/31/727243431.db2.gz GEZYMYSHYYHRJR-INIZCTEOSA-N 1 2 372.266 3.147 20 30 FGEDLO CO[C@H](C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000841614558 730260171 /nfs/dbraw/zinc/26/01/71/730260171.db2.gz PCQDMNLXHQMEIS-DZGCQCFKSA-N 1 2 366.874 3.109 20 30 FGEDLO CCOC(C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975817 731002048 /nfs/dbraw/zinc/00/20/48/731002048.db2.gz QZXJDECENPJHIY-CYBMUJFWSA-N 1 2 367.877 3.260 20 30 FGEDLO CCOC(C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)OCC ZINC000846975817 731002049 /nfs/dbraw/zinc/00/20/49/731002049.db2.gz QZXJDECENPJHIY-CYBMUJFWSA-N 1 2 367.877 3.260 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000847031765 731009533 /nfs/dbraw/zinc/00/95/33/731009533.db2.gz RXPRWIHBZCQFBL-INIZCTEOSA-N 1 2 353.491 3.478 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000847031765 731009536 /nfs/dbraw/zinc/00/95/36/731009536.db2.gz RXPRWIHBZCQFBL-INIZCTEOSA-N 1 2 353.491 3.478 20 30 FGEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848418359 731162002 /nfs/dbraw/zinc/16/20/02/731162002.db2.gz ITCPDMVCGASPIA-UHFFFAOYSA-N 1 2 356.861 3.104 20 30 FGEDLO Brc1ccc2c(c1)C(=NNCCCn1cc[nH+]c1)CCCO2 ZINC000848419633 731162310 /nfs/dbraw/zinc/16/23/10/731162310.db2.gz ZMNFTVRSGDRNIS-UHFFFAOYSA-N 1 2 363.259 3.202 20 30 FGEDLO COc1ccc(C(C)=NNCCCn2cc[nH+]c2)c(Br)c1 ZINC000848418875 731162401 /nfs/dbraw/zinc/16/24/01/731162401.db2.gz QRXHJCHVYPQEHW-UHFFFAOYSA-N 1 2 351.248 3.058 20 30 FGEDLO C=CCCn1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)nn1 ZINC000850178908 731329665 /nfs/dbraw/zinc/32/96/65/731329665.db2.gz NGXOWNNTNGNUFS-HNNXBMFYSA-N 1 2 374.794 3.047 20 30 FGEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000850539699 731370807 /nfs/dbraw/zinc/37/08/07/731370807.db2.gz FKICSKVTRYTWHS-LLVKDONJSA-N 1 2 351.859 3.224 20 30 FGEDLO N#CCc1ccc(C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000852726980 731625450 /nfs/dbraw/zinc/62/54/50/731625450.db2.gz FWOULXYSYRMPSF-UHFFFAOYSA-N 1 2 357.251 3.219 20 30 FGEDLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000857899320 732166931 /nfs/dbraw/zinc/16/69/31/732166931.db2.gz BUFNCTACBVWAOZ-JTQLQIEISA-N 1 2 367.352 3.112 20 30 FGEDLO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(C#N)c1O ZINC000866351016 733338661 /nfs/dbraw/zinc/33/86/61/733338661.db2.gz FJIZCTPQXACQJZ-LBPRGKRZSA-N 1 2 363.259 3.354 20 30 FGEDLO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000879322402 736980524 /nfs/dbraw/zinc/98/05/24/736980524.db2.gz SKCGZWFHNUCIAZ-HRCADAONSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000879322402 736980525 /nfs/dbraw/zinc/98/05/25/736980525.db2.gz SKCGZWFHNUCIAZ-HRCADAONSA-N 1 2 361.511 3.376 20 30 FGEDLO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000886357378 739248410 /nfs/dbraw/zinc/24/84/10/739248410.db2.gz FZSQDVQKQNOWRT-CQSZACIVSA-N 1 2 360.504 3.059 20 30 FGEDLO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000886357378 739248415 /nfs/dbraw/zinc/24/84/15/739248415.db2.gz FZSQDVQKQNOWRT-CQSZACIVSA-N 1 2 360.504 3.059 20 30 FGEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)CSCC2 ZINC000894084796 742236450 /nfs/dbraw/zinc/23/64/50/742236450.db2.gz MELRFQAYDQKDAD-LPHOPBHVSA-N 1 2 352.507 3.481 20 30 FGEDLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)CSCC2 ZINC000894084796 742236452 /nfs/dbraw/zinc/23/64/52/742236452.db2.gz MELRFQAYDQKDAD-LPHOPBHVSA-N 1 2 352.507 3.481 20 30 FGEDLO C=CCC1(O)CCN(C(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000899592340 742981281 /nfs/dbraw/zinc/98/12/81/742981281.db2.gz HGZBXSJYXVHZPO-UHFFFAOYSA-N 1 2 350.890 3.092 20 30 FGEDLO C=CCC1(O)CCN(C(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000899592340 742981287 /nfs/dbraw/zinc/98/12/87/742981287.db2.gz HGZBXSJYXVHZPO-UHFFFAOYSA-N 1 2 350.890 3.092 20 30 FGEDLO COc1cccc(-c2csc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)n2)c1 ZINC000901205717 743236499 /nfs/dbraw/zinc/23/64/99/743236499.db2.gz GCBIBSAMUIIGSP-GASCZTMLSA-N 1 2 355.467 3.013 20 30 FGEDLO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1S(=O)(=O)C(F)F ZINC000903031136 743798966 /nfs/dbraw/zinc/79/89/66/743798966.db2.gz IVUKVUQRGLHDSO-LLVKDONJSA-N 1 2 358.410 3.036 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926127625 759658383 /nfs/dbraw/zinc/65/83/83/759658383.db2.gz XEIZWTFPJWEQHL-VIFPVBQESA-N 1 2 356.797 3.005 20 30 FGEDLO N#CCSc1ccccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927101423 759891752 /nfs/dbraw/zinc/89/17/52/759891752.db2.gz MOKHDJNSRKBOMI-UHFFFAOYSA-N 1 2 352.463 3.414 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000932202571 761085130 /nfs/dbraw/zinc/08/51/30/761085130.db2.gz BAMCUEBZPFDEHF-CQSZACIVSA-N 1 2 358.467 3.118 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000932202571 761085139 /nfs/dbraw/zinc/08/51/39/761085139.db2.gz BAMCUEBZPFDEHF-CQSZACIVSA-N 1 2 358.467 3.118 20 30 FGEDLO N#CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(F)(F)F ZINC000932898683 761266622 /nfs/dbraw/zinc/26/66/22/761266622.db2.gz BTQAVGMONZFTRR-CYBMUJFWSA-N 1 2 371.750 3.169 20 30 FGEDLO N#CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(F)(F)F ZINC000932898684 761266641 /nfs/dbraw/zinc/26/66/41/761266641.db2.gz BTQAVGMONZFTRR-ZDUSSCGKSA-N 1 2 371.750 3.169 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000970205635 762870714 /nfs/dbraw/zinc/87/07/14/762870714.db2.gz WHFMZUVCCRFURB-XFBWCDHKSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000970447366 762874859 /nfs/dbraw/zinc/87/48/59/762874859.db2.gz PIKFIFHJGHLRNW-MJEQTWJJSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 ZINC000981606122 763504941 /nfs/dbraw/zinc/50/49/41/763504941.db2.gz XQOJJHLDLGDTEM-PXNSSMCTSA-N 1 2 360.885 3.014 20 30 FGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 ZINC000981606122 763504943 /nfs/dbraw/zinc/50/49/43/763504943.db2.gz XQOJJHLDLGDTEM-PXNSSMCTSA-N 1 2 360.885 3.014 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000981905645 763534194 /nfs/dbraw/zinc/53/41/94/763534194.db2.gz XKZPDWAMHUNSFN-RHSMWYFYSA-N 1 2 353.304 3.010 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000981905645 763534199 /nfs/dbraw/zinc/53/41/99/763534199.db2.gz XKZPDWAMHUNSFN-RHSMWYFYSA-N 1 2 353.304 3.010 20 30 FGEDLO O=C([C@@H]1C[C@H]1C1CC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000982145276 763569230 /nfs/dbraw/zinc/56/92/30/763569230.db2.gz DLRJIIKYINIAFU-VQTJNVASSA-N 1 2 356.897 3.272 20 30 FGEDLO O=C([C@@H]1C[C@H]1C1CC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000982145276 763569238 /nfs/dbraw/zinc/56/92/38/763569238.db2.gz DLRJIIKYINIAFU-VQTJNVASSA-N 1 2 356.897 3.272 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008827309 765708894 /nfs/dbraw/zinc/70/88/94/765708894.db2.gz XXOXJWGXHFVMPT-HSALFYBXSA-N 1 2 356.897 3.318 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001008827309 765708899 /nfs/dbraw/zinc/70/88/99/765708899.db2.gz XXOXJWGXHFVMPT-HSALFYBXSA-N 1 2 356.897 3.318 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001027589867 766101432 /nfs/dbraw/zinc/10/14/32/766101432.db2.gz ZCRQFFHKNNBTMK-RRFJBIMHSA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001027589867 766101434 /nfs/dbraw/zinc/10/14/34/766101434.db2.gz ZCRQFFHKNNBTMK-RRFJBIMHSA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCc2ccccc2Cl)C1 ZINC001031088334 766180631 /nfs/dbraw/zinc/18/06/31/766180631.db2.gz SNUJYKMGDNQEBA-HKUYNNGSSA-N 1 2 362.901 3.054 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033101873 766207129 /nfs/dbraw/zinc/20/71/29/766207129.db2.gz LDQJHVYGNHQGAA-FXUDXRNXSA-N 1 2 353.304 3.030 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033101873 766207136 /nfs/dbraw/zinc/20/71/36/766207136.db2.gz LDQJHVYGNHQGAA-FXUDXRNXSA-N 1 2 353.304 3.030 20 30 FGEDLO CN(C(=O)[C@]12C[C@H]1CCC2)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033279446 766211733 /nfs/dbraw/zinc/21/17/33/766211733.db2.gz HEBUHHAFWDHWDE-LVCYWYKZSA-N 1 2 356.897 3.414 20 30 FGEDLO CN(C(=O)[C@]12C[C@H]1CCC2)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033279446 766211737 /nfs/dbraw/zinc/21/17/37/766211737.db2.gz HEBUHHAFWDHWDE-LVCYWYKZSA-N 1 2 356.897 3.414 20 30 FGEDLO N#Cc1ccc(C(=O)CNC(=O)c2ccccc2Oc2cc[nH+]cc2)cc1 ZINC000570873446 505600233 /nfs/dbraw/zinc/60/02/33/505600233.db2.gz KOZPWNIUICTGLU-UHFFFAOYSA-N 1 2 357.369 3.358 20 30 FGEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnc4c(C#N)cnn4c3)n2)cc1 ZINC000579833941 505629218 /nfs/dbraw/zinc/62/92/18/505629218.db2.gz MJZVHWKTQIHVQP-CYBMUJFWSA-N 1 2 373.420 3.064 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2)CC1 ZINC000080899960 493788229 /nfs/dbraw/zinc/78/82/29/493788229.db2.gz RLAVEDWZVGPTJR-FCHUYYIVSA-N 1 2 374.488 3.048 20 30 FGEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cs1 ZINC000075887602 493791243 /nfs/dbraw/zinc/79/12/43/493791243.db2.gz CCZPQJPEJLYRCZ-MRXNPFEDSA-N 1 2 370.522 3.430 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1CC)Cc1cccs1 ZINC000028726408 493798572 /nfs/dbraw/zinc/79/85/72/493798572.db2.gz YNFRGMUPFRKXMH-UHFFFAOYSA-N 1 2 371.506 3.053 20 30 FGEDLO C=CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1CC)Cc1cccs1 ZINC000028726408 493798574 /nfs/dbraw/zinc/79/85/74/493798574.db2.gz YNFRGMUPFRKXMH-UHFFFAOYSA-N 1 2 371.506 3.053 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C#N)CC1 ZINC000057906044 493814161 /nfs/dbraw/zinc/81/41/61/493814161.db2.gz XLBBCFLKCNQTCM-CYBMUJFWSA-N 1 2 356.495 3.451 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000057906488 493814325 /nfs/dbraw/zinc/81/43/25/493814325.db2.gz XWJDNVGRRLIZME-IBGZPJMESA-N 1 2 357.454 3.328 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000029443703 493839390 /nfs/dbraw/zinc/83/93/90/493839390.db2.gz RLECFEGQVALGCF-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000049994069 493891093 /nfs/dbraw/zinc/89/10/93/493891093.db2.gz PNDBBYAYLUNZJM-UHFFFAOYSA-N 1 2 366.446 3.395 20 30 FGEDLO Cc1ccccc1OCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512698 493907705 /nfs/dbraw/zinc/90/77/05/493907705.db2.gz FOGLGXPOFDYHIJ-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO Cc1ccccc1OCCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512698 493907709 /nfs/dbraw/zinc/90/77/09/493907709.db2.gz FOGLGXPOFDYHIJ-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000081514573 493907914 /nfs/dbraw/zinc/90/79/14/493907914.db2.gz CPRJFTIDSJVDCE-FQEVSTJZSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081514573 493907917 /nfs/dbraw/zinc/90/79/17/493907917.db2.gz CPRJFTIDSJVDCE-FQEVSTJZSA-N 1 2 355.482 3.374 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000076757221 493966305 /nfs/dbraw/zinc/96/63/05/493966305.db2.gz TWHOTLUGYQJMBJ-PBHICJAKSA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000076757221 493966310 /nfs/dbraw/zinc/96/63/10/493966310.db2.gz TWHOTLUGYQJMBJ-PBHICJAKSA-N 1 2 352.438 3.282 20 30 FGEDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4cc(C#N)ccn4)CC3)o2)cc1 ZINC000052508495 494032576 /nfs/dbraw/zinc/03/25/76/494032576.db2.gz HJFKJWJGKRHCSH-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1cccc(C#N)c1 ZINC000063300581 494042476 /nfs/dbraw/zinc/04/24/76/494042476.db2.gz GGHUHBFSWQOIIG-UHFFFAOYSA-N 1 2 358.445 3.183 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1cccc(C#N)c1 ZINC000063300581 494042478 /nfs/dbraw/zinc/04/24/78/494042478.db2.gz GGHUHBFSWQOIIG-UHFFFAOYSA-N 1 2 358.445 3.183 20 30 FGEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000052638204 494049791 /nfs/dbraw/zinc/04/97/91/494049791.db2.gz SVHFFFODXQRCJW-YJBOKZPZSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000063512304 494061706 /nfs/dbraw/zinc/06/17/06/494061706.db2.gz GXEUTCBOLFKWGS-UHFFFAOYSA-N 1 2 367.453 3.418 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000052840300 494067068 /nfs/dbraw/zinc/06/70/68/494067068.db2.gz LFGAYAJRSWBOMC-UHFFFAOYSA-N 1 2 363.505 3.275 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000063754338 494084361 /nfs/dbraw/zinc/08/43/61/494084361.db2.gz QUZIIWSGIKIGTE-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000063754338 494084363 /nfs/dbraw/zinc/08/43/63/494084363.db2.gz QUZIIWSGIKIGTE-UHFFFAOYSA-N 1 2 351.450 3.262 20 30 FGEDLO C=CCSc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011684256 494186200 /nfs/dbraw/zinc/18/62/00/494186200.db2.gz IRAHRKOEYWDTDW-UHFFFAOYSA-N 1 2 371.491 3.372 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(F)c3F)CC2)cc1 ZINC000065425566 494195471 /nfs/dbraw/zinc/19/54/71/494195471.db2.gz CYJJSWBSWUVBSS-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878775 494274290 /nfs/dbraw/zinc/27/42/90/494274290.db2.gz ORTUVLQFCWTOIG-QGZVFWFLSA-N 1 2 365.481 3.035 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000072878775 494274295 /nfs/dbraw/zinc/27/42/95/494274295.db2.gz ORTUVLQFCWTOIG-QGZVFWFLSA-N 1 2 365.481 3.035 20 30 FGEDLO Cc1ccc(F)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043351427 494290108 /nfs/dbraw/zinc/29/01/08/494290108.db2.gz JQHSWXVOBVLTIJ-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043422039 494296137 /nfs/dbraw/zinc/29/61/37/494296137.db2.gz YCMMXOBUGHCQTJ-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO CCCCCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078467420 494301383 /nfs/dbraw/zinc/30/13/83/494301383.db2.gz PCJAUDLNXHCVCL-UHFFFAOYSA-N 1 2 372.513 3.499 20 30 FGEDLO N#Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000043500803 494302061 /nfs/dbraw/zinc/30/20/61/494302061.db2.gz OPOJJONNSOKISP-UHFFFAOYSA-N 1 2 355.467 3.322 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1C#N ZINC000073129348 494325452 /nfs/dbraw/zinc/32/54/52/494325452.db2.gz YSULWIZHWXEJDN-UHFFFAOYSA-N 1 2 356.451 3.003 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000078601774 494328099 /nfs/dbraw/zinc/32/80/99/494328099.db2.gz PSSFYBRVXIFZNX-UHFFFAOYSA-N 1 2 355.413 3.037 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078676311 494341748 /nfs/dbraw/zinc/34/17/48/494341748.db2.gz RKZPFUTYQIXQTE-SFHVURJKSA-N 1 2 359.514 3.459 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078676311 494341752 /nfs/dbraw/zinc/34/17/52/494341752.db2.gz RKZPFUTYQIXQTE-SFHVURJKSA-N 1 2 359.514 3.459 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000020668374 494479689 /nfs/dbraw/zinc/47/96/89/494479689.db2.gz ILOFIILHXLPHHU-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C#CC[N@@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCCC1 ZINC000090552228 494481443 /nfs/dbraw/zinc/48/14/43/494481443.db2.gz XDNXQCJXDOYGFQ-UHFFFAOYSA-N 1 2 358.463 3.123 20 30 FGEDLO C#CC[N@H+](Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCCC1 ZINC000090552228 494481447 /nfs/dbraw/zinc/48/14/47/494481447.db2.gz XDNXQCJXDOYGFQ-UHFFFAOYSA-N 1 2 358.463 3.123 20 30 FGEDLO Fc1cccnc1N1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000090632415 494490036 /nfs/dbraw/zinc/49/00/36/494490036.db2.gz TUCBLATUDVTPLS-UHFFFAOYSA-N 1 2 363.358 3.413 20 30 FGEDLO C#CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000091064635 494522374 /nfs/dbraw/zinc/52/23/74/494522374.db2.gz VVMSSDBMIIQQPH-UHFFFAOYSA-N 1 2 351.450 3.057 20 30 FGEDLO Cc1noc(C2CC[NH+](Cc3c(C#N)c(C)nn3-c3ccccc3)CC2)n1 ZINC000091067273 494523045 /nfs/dbraw/zinc/52/30/45/494523045.db2.gz SULLSDRATOZRRQ-UHFFFAOYSA-N 1 2 362.437 3.123 20 30 FGEDLO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000091073552 494524251 /nfs/dbraw/zinc/52/42/51/494524251.db2.gz MDFDJPLRKRYXBK-OXQOHEQNSA-N 1 2 360.465 3.332 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)cc3F)CC2)c1 ZINC000022845972 494538291 /nfs/dbraw/zinc/53/82/91/494538291.db2.gz YHOSGKXONAIGLM-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000056798025 494565685 /nfs/dbraw/zinc/56/56/85/494565685.db2.gz PESMFLMAYWMOKI-UHFFFAOYSA-N 1 2 350.422 3.241 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000023780173 494584355 /nfs/dbraw/zinc/58/43/55/494584355.db2.gz KGYRSAMJUIDKLQ-XNQWGTPPSA-N 1 2 366.396 3.059 20 30 FGEDLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@H]2O ZINC000121092888 494592165 /nfs/dbraw/zinc/59/21/65/494592165.db2.gz BAOHHMXLYJSOOT-RDTXWAMCSA-N 1 2 368.433 3.044 20 30 FGEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@H]2O ZINC000121092888 494592174 /nfs/dbraw/zinc/59/21/74/494592174.db2.gz BAOHHMXLYJSOOT-RDTXWAMCSA-N 1 2 368.433 3.044 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(OCCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361474 494604861 /nfs/dbraw/zinc/60/48/61/494604861.db2.gz IUUNCDDJJADJLY-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CC[N@H+](Cc1ccc(OCCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361474 494604868 /nfs/dbraw/zinc/60/48/68/494604868.db2.gz IUUNCDDJJADJLY-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccs3)CC2)cc1Cl ZINC000121205681 494645056 /nfs/dbraw/zinc/64/50/56/494645056.db2.gz FWCDARYWXGZKDQ-UHFFFAOYSA-N 1 2 360.870 3.034 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000074990656 494669034 /nfs/dbraw/zinc/66/90/34/494669034.db2.gz OAUHOHMZCQCHSQ-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000074990656 494669042 /nfs/dbraw/zinc/66/90/42/494669042.db2.gz OAUHOHMZCQCHSQ-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1C ZINC000057406414 494736271 /nfs/dbraw/zinc/73/62/71/494736271.db2.gz GQWQKKUXOTVWLC-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116273881 494749669 /nfs/dbraw/zinc/74/96/69/494749669.db2.gz ZIWXFYVFFBXKKJ-UHFFFAOYSA-N 1 2 371.828 3.227 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116273881 494749677 /nfs/dbraw/zinc/74/96/77/494749677.db2.gz ZIWXFYVFFBXKKJ-UHFFFAOYSA-N 1 2 371.828 3.227 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116326708 494762289 /nfs/dbraw/zinc/76/22/89/494762289.db2.gz FDBVZRZBQXCPDP-INIZCTEOSA-N 1 2 351.903 3.192 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116326708 494762282 /nfs/dbraw/zinc/76/22/82/494762282.db2.gz FDBVZRZBQXCPDP-INIZCTEOSA-N 1 2 351.903 3.192 20 30 FGEDLO C=CCc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc(OC)c1O ZINC000092102865 494791341 /nfs/dbraw/zinc/79/13/41/494791341.db2.gz MYYHESKDFWJGSG-CYBMUJFWSA-N 1 2 358.404 3.198 20 30 FGEDLO C=CCc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc(OC)c1O ZINC000092102865 494791344 /nfs/dbraw/zinc/79/13/44/494791344.db2.gz MYYHESKDFWJGSG-CYBMUJFWSA-N 1 2 358.404 3.198 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000026518995 494829455 /nfs/dbraw/zinc/82/94/55/494829455.db2.gz RZAXPEUFXXZAOG-UHFFFAOYSA-N 1 2 362.477 3.018 20 30 FGEDLO C=CC[C@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000116972632 494878872 /nfs/dbraw/zinc/87/88/72/494878872.db2.gz ITSCQEPTFYIPQI-INIZCTEOSA-N 1 2 350.466 3.408 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1OC ZINC000093393209 494884828 /nfs/dbraw/zinc/88/48/28/494884828.db2.gz JEODEVUVMQVXEQ-OAHLLOKOSA-N 1 2 367.511 3.048 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1OC ZINC000093393209 494884833 /nfs/dbraw/zinc/88/48/33/494884833.db2.gz JEODEVUVMQVXEQ-OAHLLOKOSA-N 1 2 367.511 3.048 20 30 FGEDLO C[C@@]([NH2+]CC#Cc1ccc(F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127205505 494909123 /nfs/dbraw/zinc/90/91/23/494909123.db2.gz OVHMDOKYLHUXHE-SFHVURJKSA-N 1 2 364.342 3.186 20 30 FGEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000127633390 494973337 /nfs/dbraw/zinc/97/33/37/494973337.db2.gz AXTDVNABWCSAIN-FQEVSTJZSA-N 1 2 366.461 3.323 20 30 FGEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000127633390 494973341 /nfs/dbraw/zinc/97/33/41/494973341.db2.gz AXTDVNABWCSAIN-FQEVSTJZSA-N 1 2 366.461 3.323 20 30 FGEDLO N#Cc1ccccc1OC1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000110533879 494987194 /nfs/dbraw/zinc/98/71/94/494987194.db2.gz ZXSKKHAUHMMMDQ-UHFFFAOYSA-N 1 2 374.444 3.255 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000118399758 495000146 /nfs/dbraw/zinc/00/01/46/495000146.db2.gz QTUXTFFOXGGJLQ-XMSQKQJNSA-N 1 2 374.488 3.042 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000118394695 495000204 /nfs/dbraw/zinc/00/02/04/495000204.db2.gz FHLMFJQJYFQINA-MRXNPFEDSA-N 1 2 351.425 3.145 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580427627 505757088 /nfs/dbraw/zinc/75/70/88/505757088.db2.gz GWCXVWYSLHWOPV-KRWDZBQOSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580427627 505757091 /nfs/dbraw/zinc/75/70/91/505757091.db2.gz GWCXVWYSLHWOPV-KRWDZBQOSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 ZINC000101921310 495108467 /nfs/dbraw/zinc/10/84/67/495108467.db2.gz BGXFZDAABSWKRB-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 ZINC000101921310 495108472 /nfs/dbraw/zinc/10/84/72/495108472.db2.gz BGXFZDAABSWKRB-QGZVFWFLSA-N 1 2 356.376 3.232 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000103141369 495198610 /nfs/dbraw/zinc/19/86/10/495198610.db2.gz DYCFIQAPCKGXRI-UHFFFAOYSA-N 1 2 352.413 3.483 20 30 FGEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129196899 495209496 /nfs/dbraw/zinc/20/94/96/495209496.db2.gz HULDOXGRGMTBSF-OAHLLOKOSA-N 1 2 357.479 3.227 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964640 495262257 /nfs/dbraw/zinc/26/22/57/495262257.db2.gz AQOZUXONJJBHPZ-UHFFFAOYSA-N 1 2 362.437 3.375 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000105026834 495327954 /nfs/dbraw/zinc/32/79/54/495327954.db2.gz OLVWWEKBCZISMR-UHFFFAOYSA-N 1 2 354.450 3.377 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C ZINC000105026834 495327959 /nfs/dbraw/zinc/32/79/59/495327959.db2.gz OLVWWEKBCZISMR-UHFFFAOYSA-N 1 2 354.450 3.377 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000124692293 495329033 /nfs/dbraw/zinc/32/90/33/495329033.db2.gz SDPXMHHJZNVWJJ-UHFFFAOYSA-N 1 2 365.433 3.348 20 30 FGEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868714 495356556 /nfs/dbraw/zinc/35/65/56/495356556.db2.gz UHKONRPCKJYPMN-UNMCSNQZSA-N 1 2 364.489 3.364 20 30 FGEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124868714 495356561 /nfs/dbraw/zinc/35/65/61/495356561.db2.gz UHKONRPCKJYPMN-UNMCSNQZSA-N 1 2 364.489 3.364 20 30 FGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000114731428 495418871 /nfs/dbraw/zinc/41/88/71/495418871.db2.gz MOZFMIJWVCCDEC-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000114731428 495418877 /nfs/dbraw/zinc/41/88/77/495418877.db2.gz MOZFMIJWVCCDEC-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(CN4CCCCC4=O)c3)n2c1 ZINC000125528230 495458362 /nfs/dbraw/zinc/45/83/62/495458362.db2.gz GTJNCGBYMZSZJD-UHFFFAOYSA-N 1 2 359.433 3.331 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115414900 495501151 /nfs/dbraw/zinc/50/11/51/495501151.db2.gz BDSKYTVBVCFSMV-CXAGYDPISA-N 1 2 373.403 3.023 20 30 FGEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000121048057 495512062 /nfs/dbraw/zinc/51/20/62/495512062.db2.gz HQVAQWBZSHRPAF-UHFFFAOYSA-N 1 2 362.389 3.014 20 30 FGEDLO N#CC1(NC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CCCC1 ZINC000170852025 495628005 /nfs/dbraw/zinc/62/80/05/495628005.db2.gz CCQKEHMGFMJKAG-UHFFFAOYSA-N 1 2 364.449 3.109 20 30 FGEDLO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000150885877 495669192 /nfs/dbraw/zinc/66/91/92/495669192.db2.gz GYKAOSACABRLTN-OAHLLOKOSA-N 1 2 352.500 3.095 20 30 FGEDLO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000150885877 495669195 /nfs/dbraw/zinc/66/91/95/495669195.db2.gz GYKAOSACABRLTN-OAHLLOKOSA-N 1 2 352.500 3.095 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176493731 495671107 /nfs/dbraw/zinc/67/11/07/495671107.db2.gz OAHLFXJWABTSRC-KRWDZBQOSA-N 1 2 374.444 3.081 20 30 FGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000173871688 495726758 /nfs/dbraw/zinc/72/67/58/495726758.db2.gz AJZHBMOSYIYXBT-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1c(F)cccc1-c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000154814473 495736811 /nfs/dbraw/zinc/73/68/11/495736811.db2.gz OJFBEGSJVGXYBC-UHFFFAOYSA-N 1 2 371.456 3.442 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000176712589 495758984 /nfs/dbraw/zinc/75/89/84/495758984.db2.gz OQGDOBIVMIUZLV-GOSISDBHSA-N 1 2 365.458 3.220 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000176712589 495758990 /nfs/dbraw/zinc/75/89/90/495758990.db2.gz OQGDOBIVMIUZLV-GOSISDBHSA-N 1 2 365.458 3.220 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000155009789 495802542 /nfs/dbraw/zinc/80/25/42/495802542.db2.gz IEVQPAHEXBHJLW-KRWDZBQOSA-N 1 2 352.438 3.283 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(C#N)c1C ZINC000155009789 495802548 /nfs/dbraw/zinc/80/25/48/495802548.db2.gz IEVQPAHEXBHJLW-KRWDZBQOSA-N 1 2 352.438 3.283 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1c(F)cccc1F ZINC000155040689 495813447 /nfs/dbraw/zinc/81/34/47/495813447.db2.gz XLNALEODHFDUQF-OAHLLOKOSA-N 1 2 365.330 3.147 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)s2)cc1 ZINC000151542011 495872688 /nfs/dbraw/zinc/87/26/88/495872688.db2.gz QQWQAFBDQQMSNT-OAHLLOKOSA-N 1 2 363.446 3.003 20 30 FGEDLO N#Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000171552616 495924327 /nfs/dbraw/zinc/92/43/27/495924327.db2.gz VGGUXBXMFLVGAG-UHFFFAOYSA-N 1 2 372.428 3.428 20 30 FGEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@H](c3nccs3)c3ccccc3)C2=O)cc1 ZINC000177192095 495969076 /nfs/dbraw/zinc/96/90/76/495969076.db2.gz UDHIFHWPYZJCMW-OALUTQOASA-N 1 2 374.469 3.499 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000151898687 495986151 /nfs/dbraw/zinc/98/61/51/495986151.db2.gz MGKOHASDQKHDBJ-HOCLYGCPSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000151898687 495986159 /nfs/dbraw/zinc/98/61/59/495986159.db2.gz MGKOHASDQKHDBJ-HOCLYGCPSA-N 1 2 373.478 3.356 20 30 FGEDLO C=CCC[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000186477758 496012954 /nfs/dbraw/zinc/01/29/54/496012954.db2.gz BPWWOGMGLNDAKQ-FQEVSTJZSA-N 1 2 365.477 3.284 20 30 FGEDLO C[C@]([NH2+]Cc1cc(C#N)ccc1F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177387730 496041957 /nfs/dbraw/zinc/04/19/57/496041957.db2.gz PBOZAPRLLSDNKA-QGZVFWFLSA-N 1 2 365.330 3.206 20 30 FGEDLO C=CCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000186581168 496055529 /nfs/dbraw/zinc/05/55/29/496055529.db2.gz AIAMZIHVAOUSBX-HXUWFJFHSA-N 1 2 365.477 3.284 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)cs3)CC2)c1 ZINC000177465062 496071008 /nfs/dbraw/zinc/07/10/08/496071008.db2.gz ZDSRYEGTZTYMAB-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccn2cc[nH+]c2c1 ZINC000177588877 496123584 /nfs/dbraw/zinc/12/35/84/496123584.db2.gz UJKYWHLTDJEFPK-UHFFFAOYSA-N 1 2 372.350 3.204 20 30 FGEDLO O=C(c1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156048821 496143123 /nfs/dbraw/zinc/14/31/23/496143123.db2.gz YSWOHFOIBUJEAB-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO O=C(c1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156048821 496143127 /nfs/dbraw/zinc/14/31/27/496143127.db2.gz YSWOHFOIBUJEAB-UHFFFAOYSA-N 1 2 354.400 3.164 20 30 FGEDLO COc1cccc(CC(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000183939031 496169511 /nfs/dbraw/zinc/16/95/11/496169511.db2.gz UJGCGUDLBALUBB-KRWDZBQOSA-N 1 2 363.461 3.015 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000177927522 496255340 /nfs/dbraw/zinc/25/53/40/496255340.db2.gz MVUQFHDFBMZJBV-UHFFFAOYSA-N 1 2 368.868 3.239 20 30 FGEDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000181063516 496256706 /nfs/dbraw/zinc/25/67/06/496256706.db2.gz WILYSLLUPNIGID-CYBMUJFWSA-N 1 2 364.453 3.490 20 30 FGEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccco1 ZINC000184145755 496257579 /nfs/dbraw/zinc/25/75/79/496257579.db2.gz OYAHZEXPQZAFMB-QAPCUYQASA-N 1 2 355.438 3.482 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095861 496269537 /nfs/dbraw/zinc/26/95/37/496269537.db2.gz KWLWMHJMYLCLQC-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095861 496269540 /nfs/dbraw/zinc/26/95/40/496269540.db2.gz KWLWMHJMYLCLQC-AEFFLSMTSA-N 1 2 372.831 3.311 20 30 FGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1cc2c(s1)SCC(=O)N2 ZINC000184341964 496341271 /nfs/dbraw/zinc/34/12/71/496341271.db2.gz QGANHNNCBORGFQ-OWOJBTEDSA-N 1 2 373.381 3.447 20 30 FGEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1Cl ZINC000178190780 496363202 /nfs/dbraw/zinc/36/32/02/496363202.db2.gz GWLPMAXTBYDISE-UHFFFAOYSA-N 1 2 358.810 3.403 20 30 FGEDLO CCc1cc(N2CC(Oc3ccc(C#N)cc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000162500654 496363496 /nfs/dbraw/zinc/36/34/96/496363496.db2.gz PIISBWOFMVBURH-UHFFFAOYSA-N 1 2 357.417 3.240 20 30 FGEDLO CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1(C#N)CCCCC1 ZINC000153330879 496421710 /nfs/dbraw/zinc/42/17/10/496421710.db2.gz NVHJGTYBAXRZAW-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1(C#N)CCCCC1 ZINC000153330879 496421714 /nfs/dbraw/zinc/42/17/14/496421714.db2.gz NVHJGTYBAXRZAW-UHFFFAOYSA-N 1 2 370.453 3.244 20 30 FGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C1CCCC1 ZINC000162975986 496444454 /nfs/dbraw/zinc/44/44/54/496444454.db2.gz BADYGWRRHVRTDJ-IBGZPJMESA-N 1 2 366.465 3.106 20 30 FGEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)cc2)CC1 ZINC000181567571 496449230 /nfs/dbraw/zinc/44/92/30/496449230.db2.gz WSVYUPUVPYJHGC-UHFFFAOYSA-N 1 2 363.436 3.339 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000153487494 496472236 /nfs/dbraw/zinc/47/22/36/496472236.db2.gz LWRHBKWVALEBST-KRWDZBQOSA-N 1 2 353.426 3.106 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000571933573 505849127 /nfs/dbraw/zinc/84/91/27/505849127.db2.gz ARRMOEYLXUXSGP-IERDGZPVSA-N 1 2 355.482 3.476 20 30 FGEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000181737410 496524864 /nfs/dbraw/zinc/52/48/64/496524864.db2.gz RLEDERTXZRMIHZ-GFCCVEGCSA-N 1 2 366.845 3.475 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000157805660 496559173 /nfs/dbraw/zinc/55/91/73/496559173.db2.gz JWDNCEYCLYLXJM-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000157805660 496559180 /nfs/dbraw/zinc/55/91/80/496559180.db2.gz JWDNCEYCLYLXJM-FQEVSTJZSA-N 1 2 356.397 3.158 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1C ZINC000178792904 496573385 /nfs/dbraw/zinc/57/33/85/496573385.db2.gz PCTKBGFHQMMQNH-RUZDIDTESA-N 1 2 358.507 3.343 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1C ZINC000178792904 496573388 /nfs/dbraw/zinc/57/33/88/496573388.db2.gz PCTKBGFHQMMQNH-RUZDIDTESA-N 1 2 358.507 3.343 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158039510 496613732 /nfs/dbraw/zinc/61/37/32/496613732.db2.gz CLPCBBFYIHSXOQ-HNNXBMFYSA-N 1 2 359.861 3.323 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158039510 496613737 /nfs/dbraw/zinc/61/37/37/496613737.db2.gz CLPCBBFYIHSXOQ-HNNXBMFYSA-N 1 2 359.861 3.323 20 30 FGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCc1nc2ccccc2s1 ZINC000173371946 496663066 /nfs/dbraw/zinc/66/30/66/496663066.db2.gz JTZXIQNYMTYRFF-UHFFFAOYSA-N 1 2 358.511 3.217 20 30 FGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCc1nc2ccccc2s1 ZINC000173371946 496663071 /nfs/dbraw/zinc/66/30/71/496663071.db2.gz JTZXIQNYMTYRFF-UHFFFAOYSA-N 1 2 358.511 3.217 20 30 FGEDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)c(C#N)c1 ZINC000179190203 496706396 /nfs/dbraw/zinc/70/63/96/496706396.db2.gz YISYXKHQRXINPV-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)c(C#N)c1 ZINC000179190203 496706399 /nfs/dbraw/zinc/70/63/99/496706399.db2.gz YISYXKHQRXINPV-UHFFFAOYSA-N 1 2 359.376 3.306 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)[nH+]c2c1 ZINC000263872577 496750745 /nfs/dbraw/zinc/75/07/45/496750745.db2.gz LKONRLGFNOKIRZ-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000264177375 496829161 /nfs/dbraw/zinc/82/91/61/496829161.db2.gz XMUAUFPLIWLTOM-UHFFFAOYSA-N 1 2 369.852 3.200 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188572926 496836353 /nfs/dbraw/zinc/83/63/53/496836353.db2.gz UACQUPOPRNOOHG-CQSZACIVSA-N 1 2 369.852 3.436 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+](CCC#N)Cc2cccnc2)C1 ZINC000195155950 496837183 /nfs/dbraw/zinc/83/71/83/496837183.db2.gz AIHNKEUBJXUVDA-FQEVSTJZSA-N 1 2 358.486 3.444 20 30 FGEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000195155950 496837186 /nfs/dbraw/zinc/83/71/86/496837186.db2.gz AIHNKEUBJXUVDA-FQEVSTJZSA-N 1 2 358.486 3.444 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)s1 ZINC000191687094 496855754 /nfs/dbraw/zinc/85/57/54/496855754.db2.gz CMRJRDYVMSNXQL-UHFFFAOYSA-N 1 2 373.429 3.202 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)s1 ZINC000191687094 496855760 /nfs/dbraw/zinc/85/57/60/496855760.db2.gz CMRJRDYVMSNXQL-UHFFFAOYSA-N 1 2 373.429 3.202 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)c(F)cc3F)CC2)cc1 ZINC000264295371 496864854 /nfs/dbraw/zinc/86/48/54/496864854.db2.gz ZUJTYTUJQUCVAX-UHFFFAOYSA-N 1 2 374.366 3.325 20 30 FGEDLO CC(C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191782018 496887025 /nfs/dbraw/zinc/88/70/25/496887025.db2.gz JSXQKPVUVPVTBK-UHFFFAOYSA-N 1 2 364.287 3.011 20 30 FGEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191782018 496887027 /nfs/dbraw/zinc/88/70/27/496887027.db2.gz JSXQKPVUVPVTBK-UHFFFAOYSA-N 1 2 364.287 3.011 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000248039499 496946086 /nfs/dbraw/zinc/94/60/86/496946086.db2.gz LTTBDAPBXXIRGM-MOPGFXCFSA-N 1 2 374.387 3.267 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000248039499 496946093 /nfs/dbraw/zinc/94/60/93/496946093.db2.gz LTTBDAPBXXIRGM-MOPGFXCFSA-N 1 2 374.387 3.267 20 30 FGEDLO CC(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000264740417 496976016 /nfs/dbraw/zinc/97/60/16/496976016.db2.gz REDYYKHMVUUWQJ-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO CC(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000264740417 496976018 /nfs/dbraw/zinc/97/60/18/496976018.db2.gz REDYYKHMVUUWQJ-UHFFFAOYSA-N 1 2 361.445 3.109 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248419821 497005274 /nfs/dbraw/zinc/00/52/74/497005274.db2.gz VSBOUOUVAMMZKC-UXLLHSPISA-N 1 2 353.426 3.289 20 30 FGEDLO C=C(C)[C@@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)OCC ZINC000270017587 497041729 /nfs/dbraw/zinc/04/17/29/497041729.db2.gz HTZGKGXFWHUMOB-GOSISDBHSA-N 1 2 357.454 3.093 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)s1 ZINC000189528298 497152107 /nfs/dbraw/zinc/15/21/07/497152107.db2.gz HAXBTAIVIAAPNS-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270711707 497185217 /nfs/dbraw/zinc/18/52/17/497185217.db2.gz OPPSPDBOIOGOIC-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000270711707 497185222 /nfs/dbraw/zinc/18/52/22/497185222.db2.gz OPPSPDBOIOGOIC-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000266002370 497228611 /nfs/dbraw/zinc/22/86/11/497228611.db2.gz OQDYIPRIBJQLES-CQSZACIVSA-N 1 2 356.495 3.195 20 30 FGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000266002370 497228614 /nfs/dbraw/zinc/22/86/14/497228614.db2.gz OQDYIPRIBJQLES-CQSZACIVSA-N 1 2 356.495 3.195 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@H](C)C#N ZINC000250051858 497260296 /nfs/dbraw/zinc/26/02/96/497260296.db2.gz XKEJFICURDWHPZ-IERDGZPVSA-N 1 2 373.497 3.143 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)C[C@H](C)C#N ZINC000250051858 497260300 /nfs/dbraw/zinc/26/03/00/497260300.db2.gz XKEJFICURDWHPZ-IERDGZPVSA-N 1 2 373.497 3.143 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245507275 497434524 /nfs/dbraw/zinc/43/45/24/497434524.db2.gz HZFAONSRBQVGLA-ZHRRBRCNSA-N 1 2 361.445 3.059 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245507275 497434527 /nfs/dbraw/zinc/43/45/27/497434527.db2.gz HZFAONSRBQVGLA-ZHRRBRCNSA-N 1 2 361.445 3.059 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000193717184 497456893 /nfs/dbraw/zinc/45/68/93/497456893.db2.gz OGHOAWBPTJXRRN-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245798532 497540133 /nfs/dbraw/zinc/54/01/33/497540133.db2.gz YQYPHLLEVRUZFT-MOPGFXCFSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245798532 497540135 /nfs/dbraw/zinc/54/01/35/497540135.db2.gz YQYPHLLEVRUZFT-MOPGFXCFSA-N 1 2 369.852 3.013 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)sc2c1 ZINC000272502433 497645175 /nfs/dbraw/zinc/64/51/75/497645175.db2.gz DSFIPPZXUYGVDU-UHFFFAOYSA-N 1 2 358.467 3.259 20 30 FGEDLO CCC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147381 497686591 /nfs/dbraw/zinc/68/65/91/497686591.db2.gz GPPBORDIUUSDPR-ZBFHGGJFSA-N 1 2 352.438 3.024 20 30 FGEDLO CCC[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268147381 497686595 /nfs/dbraw/zinc/68/65/95/497686595.db2.gz GPPBORDIUUSDPR-ZBFHGGJFSA-N 1 2 352.438 3.024 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947175 497696194 /nfs/dbraw/zinc/69/61/94/497696194.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)[nH]1 ZINC000276947175 497696200 /nfs/dbraw/zinc/69/62/00/497696200.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000276947175 497696209 /nfs/dbraw/zinc/69/62/09/497696209.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000276947175 497696214 /nfs/dbraw/zinc/69/62/14/497696214.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n[nH]1 ZINC000276947175 497696221 /nfs/dbraw/zinc/69/62/21/497696221.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n[nH]1 ZINC000276947175 497696227 /nfs/dbraw/zinc/69/62/27/497696227.db2.gz TVEINUPLMJKPEQ-CYBMUJFWSA-N 1 2 360.259 3.127 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000191127320 497717924 /nfs/dbraw/zinc/71/79/24/497717924.db2.gz BVMUNGXGOZSAPJ-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000191127320 497717932 /nfs/dbraw/zinc/71/79/32/497717932.db2.gz BVMUNGXGOZSAPJ-UHFFFAOYSA-N 1 2 350.768 3.432 20 30 FGEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000191176918 497734660 /nfs/dbraw/zinc/73/46/60/497734660.db2.gz BJTNQNWWZDWTSH-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000191176918 497734665 /nfs/dbraw/zinc/73/46/65/497734665.db2.gz BJTNQNWWZDWTSH-UHFFFAOYSA-N 1 2 351.237 3.274 20 30 FGEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329544572 497824919 /nfs/dbraw/zinc/82/49/19/497824919.db2.gz GCUOQNLJDHKFLM-TZMCWYRMSA-N 1 2 360.845 3.338 20 30 FGEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000329544572 497824921 /nfs/dbraw/zinc/82/49/21/497824921.db2.gz GCUOQNLJDHKFLM-TZMCWYRMSA-N 1 2 360.845 3.338 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000295861461 497833968 /nfs/dbraw/zinc/83/39/68/497833968.db2.gz DXODWNSEPRLGFX-UHFFFAOYSA-N 1 2 374.510 3.251 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@H](C4CCCCC4)C3)cn21 ZINC000329590763 497837882 /nfs/dbraw/zinc/83/78/82/497837882.db2.gz NQTPRNDIWGCZQU-SFHVURJKSA-N 1 2 356.470 3.338 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(F)cc2C#N)CC1 ZINC000578417229 505934208 /nfs/dbraw/zinc/93/42/08/505934208.db2.gz RXZCQNQDVIDEEW-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(F)cc2C#N)CC1 ZINC000578417229 505934213 /nfs/dbraw/zinc/93/42/13/505934213.db2.gz RXZCQNQDVIDEEW-UHFFFAOYSA-N 1 2 372.469 3.167 20 30 FGEDLO C[C@H]1OCC[C@]1(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659868 497860922 /nfs/dbraw/zinc/86/09/22/497860922.db2.gz OGJIXXXEHZYNFM-XNJGSVPQSA-N 1 2 352.504 3.078 20 30 FGEDLO C[C@H]1OCC[C@]1(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659868 497860927 /nfs/dbraw/zinc/86/09/27/497860927.db2.gz OGJIXXXEHZYNFM-XNJGSVPQSA-N 1 2 352.504 3.078 20 30 FGEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329678999 497866098 /nfs/dbraw/zinc/86/60/98/497866098.db2.gz QQACESRZRSRIGY-IBGZPJMESA-N 1 2 372.513 3.246 20 30 FGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000575192639 505939897 /nfs/dbraw/zinc/93/98/97/505939897.db2.gz IYRMJZZARWIGER-GXTWGEPZSA-N 1 2 358.467 3.428 20 30 FGEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283881 497880061 /nfs/dbraw/zinc/88/00/61/497880061.db2.gz CFPJMEVIHYWVOF-IAGOWNOFSA-N 1 2 351.368 3.127 20 30 FGEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000364283881 497880065 /nfs/dbraw/zinc/88/00/65/497880065.db2.gz CFPJMEVIHYWVOF-IAGOWNOFSA-N 1 2 351.368 3.127 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCOC4(C3)CCCCCC4)cn2c1 ZINC000329737084 497884481 /nfs/dbraw/zinc/88/44/81/497884481.db2.gz LXTVCKFOGCRKJI-UHFFFAOYSA-N 1 2 356.470 3.482 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCO[C@H](C4CCCCC4)C3)cn2c1 ZINC000329779069 497899049 /nfs/dbraw/zinc/89/90/49/497899049.db2.gz LQUSNJREZZKLBL-SFHVURJKSA-N 1 2 356.470 3.338 20 30 FGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000329813823 497911226 /nfs/dbraw/zinc/91/12/26/497911226.db2.gz TXIHZFIDRMSTHJ-ATLSCFEFSA-N 1 2 360.502 3.200 20 30 FGEDLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000329818982 497913642 /nfs/dbraw/zinc/91/36/42/497913642.db2.gz GJDITJVQMYNRKG-UHFFFAOYSA-N 1 2 372.494 3.467 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280873538 497930653 /nfs/dbraw/zinc/93/06/53/497930653.db2.gz OJZNNSYTORHLPE-IFXJQAMLSA-N 1 2 360.454 3.270 20 30 FGEDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccc2c(c1)CCCC2 ZINC000329904406 497947363 /nfs/dbraw/zinc/94/73/63/497947363.db2.gz JBROJAFRGKUCRZ-PNLZDCPESA-N 1 2 372.509 3.463 20 30 FGEDLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccc2c(c1)CCCC2 ZINC000329904406 497947371 /nfs/dbraw/zinc/94/73/71/497947371.db2.gz JBROJAFRGKUCRZ-PNLZDCPESA-N 1 2 372.509 3.463 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1CCOc3c(C)cccc31)CCC2 ZINC000329913823 497950368 /nfs/dbraw/zinc/95/03/68/497950368.db2.gz CCAXJAPPSXSFOU-NVXWUHKLSA-N 1 2 354.454 3.405 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(=O)[nH]c(C3CC3)c1)C2 ZINC000329922296 497954279 /nfs/dbraw/zinc/95/42/79/497954279.db2.gz HZEIBWWXTWIJGW-AWEZNQCLSA-N 1 2 354.454 3.478 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC000329949809 497964587 /nfs/dbraw/zinc/96/45/87/497964587.db2.gz MCBFFPAMBSMQLI-ROUUACIJSA-N 1 2 373.428 3.239 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC000329949809 497964592 /nfs/dbraw/zinc/96/45/92/497964592.db2.gz MCBFFPAMBSMQLI-ROUUACIJSA-N 1 2 373.428 3.239 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2csc3ccccc23)CCN1C ZINC000329959733 497969339 /nfs/dbraw/zinc/96/93/39/497969339.db2.gz NLWWCHKPHTVSRM-INIZCTEOSA-N 1 2 369.494 3.038 20 30 FGEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400459 505959996 /nfs/dbraw/zinc/95/99/96/505959996.db2.gz JLQZLRJLNJIGIO-YOEHRIQHSA-N 1 2 373.478 3.102 20 30 FGEDLO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400459 505959998 /nfs/dbraw/zinc/95/99/98/505959998.db2.gz JLQZLRJLNJIGIO-YOEHRIQHSA-N 1 2 373.478 3.102 20 30 FGEDLO Cn1c2ccc(Cl)cc2nc1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330034350 497997983 /nfs/dbraw/zinc/99/79/83/497997983.db2.gz WIGQXKUOKXFSGB-MRXNPFEDSA-N 1 2 362.861 3.458 20 30 FGEDLO Cn1c2ccc(Cl)cc2nc1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330034350 497997988 /nfs/dbraw/zinc/99/79/88/497997988.db2.gz WIGQXKUOKXFSGB-MRXNPFEDSA-N 1 2 362.861 3.458 20 30 FGEDLO C=CCOc1ccccc1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000301229289 498009611 /nfs/dbraw/zinc/00/96/11/498009611.db2.gz DNDXZMRMXALSPP-UHFFFAOYSA-N 1 2 374.242 3.303 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000281102006 498020997 /nfs/dbraw/zinc/02/09/97/498020997.db2.gz WHIZWMMJMBRPQL-CRAIPNDOSA-N 1 2 372.469 3.181 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330101445 498022092 /nfs/dbraw/zinc/02/20/92/498022092.db2.gz FEWXKKQQFCZOTR-DRSNIGMVSA-N 1 2 372.509 3.463 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330101445 498022099 /nfs/dbraw/zinc/02/20/99/498022099.db2.gz FEWXKKQQFCZOTR-DRSNIGMVSA-N 1 2 372.509 3.463 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000330104476 498023073 /nfs/dbraw/zinc/02/30/73/498023073.db2.gz GZSWEXVGICUJRF-VGSWGCGISA-N 1 2 374.525 3.363 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000330104476 498023083 /nfs/dbraw/zinc/02/30/83/498023083.db2.gz GZSWEXVGICUJRF-VGSWGCGISA-N 1 2 374.525 3.363 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330162680 498044333 /nfs/dbraw/zinc/04/43/33/498044333.db2.gz USYYJQFJVLBCMK-UTKZUKDTSA-N 1 2 360.498 3.189 20 30 FGEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000330162680 498044342 /nfs/dbraw/zinc/04/43/42/498044342.db2.gz USYYJQFJVLBCMK-UTKZUKDTSA-N 1 2 360.498 3.189 20 30 FGEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@@H](C2CCC2)C1 ZINC000330190238 498055623 /nfs/dbraw/zinc/05/56/23/498055623.db2.gz MJYCCWLQEHNVTQ-SFHVURJKSA-N 1 2 354.454 3.035 20 30 FGEDLO CC(C)[C@@H](CNc1c(C#N)cnc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000301334447 498061775 /nfs/dbraw/zinc/06/17/75/498061775.db2.gz CLTVGBALVPAMBS-LJQANCHMSA-N 1 2 371.916 3.444 20 30 FGEDLO CC(C)(C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285443860 498086126 /nfs/dbraw/zinc/08/61/26/498086126.db2.gz IHRZUYROYNXOND-UHFFFAOYSA-N 1 2 358.417 3.421 20 30 FGEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC2(CCC2)[C@H]1C(C)C ZINC000330337807 498109922 /nfs/dbraw/zinc/10/99/22/498109922.db2.gz ULHYJLRUUOZBCD-GOSISDBHSA-N 1 2 358.486 3.283 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CC[C@H](O)C23CCCC3)c1)[NH+]1CCOCC1 ZINC000330341990 498111568 /nfs/dbraw/zinc/11/15/68/498111568.db2.gz ZZXWISYXFCPJEN-APWZRJJASA-N 1 2 373.497 3.005 20 30 FGEDLO CC#CC[N@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000569631100 505980198 /nfs/dbraw/zinc/98/01/98/505980198.db2.gz ZQCQCLYWRDZMKC-UHFFFAOYSA-N 1 2 370.474 3.008 20 30 FGEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000569631100 505980200 /nfs/dbraw/zinc/98/02/00/505980200.db2.gz ZQCQCLYWRDZMKC-UHFFFAOYSA-N 1 2 370.474 3.008 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296591931 498111744 /nfs/dbraw/zinc/11/17/44/498111744.db2.gz JBJNUIFLDDQLQT-KRWDZBQOSA-N 1 2 354.454 3.278 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c([N+](=O)[O-])c1 ZINC000578632427 505985125 /nfs/dbraw/zinc/98/51/25/505985125.db2.gz WTQSJKNVWTWVIG-UHFFFAOYSA-N 1 2 358.348 3.067 20 30 FGEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330729890 498182322 /nfs/dbraw/zinc/18/23/22/498182322.db2.gz HTERHHFTCKKHNC-OAHLLOKOSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000330729890 498182330 /nfs/dbraw/zinc/18/23/30/498182330.db2.gz HTERHHFTCKKHNC-OAHLLOKOSA-N 1 2 364.287 3.057 20 30 FGEDLO Cc1cc(NC(=O)NCC[C@H](C)[S@](C)=O)c[nH+]c1N1CCCC[C@@H]1C ZINC000330781727 498192675 /nfs/dbraw/zinc/19/26/75/498192675.db2.gz OSOPKKDNLTXZPU-XHQUFGICSA-N 1 2 366.531 3.252 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301654443 498208540 /nfs/dbraw/zinc/20/85/40/498208540.db2.gz KTNNWKQLDYMQHQ-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000301654443 498208547 /nfs/dbraw/zinc/20/85/47/498208547.db2.gz KTNNWKQLDYMQHQ-CYBMUJFWSA-N 1 2 373.363 3.216 20 30 FGEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)n2)c1 ZINC000281653944 498227110 /nfs/dbraw/zinc/22/71/10/498227110.db2.gz KFLNUMSXEYWQMQ-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO CCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Cl ZINC000331004920 498234044 /nfs/dbraw/zinc/23/40/44/498234044.db2.gz SANHEFAVNHLAEO-LLVKDONJSA-N 1 2 362.257 3.049 20 30 FGEDLO CCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000331004920 498234052 /nfs/dbraw/zinc/23/40/52/498234052.db2.gz SANHEFAVNHLAEO-LLVKDONJSA-N 1 2 362.257 3.049 20 30 FGEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000331240514 498282926 /nfs/dbraw/zinc/28/29/26/498282926.db2.gz JMTWLOTVLHYVOG-UHFFFAOYSA-N 1 2 370.375 3.014 20 30 FGEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000331240514 498282929 /nfs/dbraw/zinc/28/29/29/498282929.db2.gz JMTWLOTVLHYVOG-UHFFFAOYSA-N 1 2 370.375 3.014 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](CCC)Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000281936370 498325476 /nfs/dbraw/zinc/32/54/76/498325476.db2.gz INHDFQLVEYMDFE-INIZCTEOSA-N 1 2 374.872 3.389 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](CCC)Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000281936370 498325483 /nfs/dbraw/zinc/32/54/83/498325483.db2.gz INHDFQLVEYMDFE-INIZCTEOSA-N 1 2 374.872 3.389 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289855733 498325715 /nfs/dbraw/zinc/32/57/15/498325715.db2.gz KWWXZXBDBSIJFC-CRAIPNDOSA-N 1 2 371.872 3.119 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289855733 498325723 /nfs/dbraw/zinc/32/57/23/498325723.db2.gz KWWXZXBDBSIJFC-CRAIPNDOSA-N 1 2 371.872 3.119 20 30 FGEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000293278941 498329837 /nfs/dbraw/zinc/32/98/37/498329837.db2.gz CLJUMHGKMMQCSO-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000293278941 498329843 /nfs/dbraw/zinc/32/98/43/498329843.db2.gz CLJUMHGKMMQCSO-UHFFFAOYSA-N 1 2 354.454 3.233 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000293331269 498349286 /nfs/dbraw/zinc/34/92/86/498349286.db2.gz GMWWPCPTJBMWBO-AWEZNQCLSA-N 1 2 358.417 3.143 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000293331269 498349289 /nfs/dbraw/zinc/34/92/89/498349289.db2.gz GMWWPCPTJBMWBO-AWEZNQCLSA-N 1 2 358.417 3.143 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)nc1 ZINC000581674646 506042239 /nfs/dbraw/zinc/04/22/39/506042239.db2.gz OZVQLSXYTYHLFT-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000362613116 498524165 /nfs/dbraw/zinc/52/41/65/498524165.db2.gz AONKDAPPGOBIAS-UHFFFAOYSA-N 1 2 374.444 3.244 20 30 FGEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000362613116 498524169 /nfs/dbraw/zinc/52/41/69/498524169.db2.gz AONKDAPPGOBIAS-UHFFFAOYSA-N 1 2 374.444 3.244 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2OC)cc1 ZINC000362719696 498544510 /nfs/dbraw/zinc/54/45/10/498544510.db2.gz NKTHGEYXMNLDBV-NRFANRHFSA-N 1 2 361.445 3.320 20 30 FGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098891 498588550 /nfs/dbraw/zinc/58/85/50/498588550.db2.gz MHCHACGYYCBOQZ-QWRGUYRKSA-N 1 2 350.216 3.408 20 30 FGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000294098891 498588557 /nfs/dbraw/zinc/58/85/57/498588557.db2.gz MHCHACGYYCBOQZ-QWRGUYRKSA-N 1 2 350.216 3.408 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C)n(-c3ccc(C#N)cc3)c1C)C2 ZINC000363013388 498603562 /nfs/dbraw/zinc/60/35/62/498603562.db2.gz AMVNZVJSAATSFS-SFHVURJKSA-N 1 2 373.460 3.216 20 30 FGEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@H](C#N)C1 ZINC000294233362 498628303 /nfs/dbraw/zinc/62/83/03/498628303.db2.gz SXLRXOZYIWTWOP-WFASDCNBSA-N 1 2 360.259 3.154 20 30 FGEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@H](C#N)C1 ZINC000294233362 498628308 /nfs/dbraw/zinc/62/83/08/498628308.db2.gz SXLRXOZYIWTWOP-WFASDCNBSA-N 1 2 360.259 3.154 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000365841549 498666179 /nfs/dbraw/zinc/66/61/79/498666179.db2.gz UWNNUQGOTLOGSI-OAHLLOKOSA-N 1 2 373.522 3.374 20 30 FGEDLO Cc1csc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC000366090986 498770561 /nfs/dbraw/zinc/77/05/61/498770561.db2.gz DSSPXOBOKVNRDF-UHFFFAOYSA-N 1 2 358.442 3.313 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000363397846 498798650 /nfs/dbraw/zinc/79/86/50/498798650.db2.gz XFBQLRFYGLBLEW-FCHUYYIVSA-N 1 2 364.493 3.466 20 30 FGEDLO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000363397846 498798655 /nfs/dbraw/zinc/79/86/55/498798655.db2.gz XFBQLRFYGLBLEW-FCHUYYIVSA-N 1 2 364.493 3.466 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000287797787 498865589 /nfs/dbraw/zinc/86/55/89/498865589.db2.gz TYJURPKWZBRAMY-ZDUSSCGKSA-N 1 2 352.283 3.341 20 30 FGEDLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000294984319 498870301 /nfs/dbraw/zinc/87/03/01/498870301.db2.gz OSVPJDJBDMMXGM-MLGOLLRUSA-N 1 2 373.254 3.241 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)NC(=O)CC2CCCCC2)CC1 ZINC000328695884 498904782 /nfs/dbraw/zinc/90/47/82/498904782.db2.gz DDAACZUTNIZBGN-QGZVFWFLSA-N 1 2 372.513 3.354 20 30 FGEDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cn2c(n1)CCCC2 ZINC000328722629 498915255 /nfs/dbraw/zinc/91/52/55/498915255.db2.gz RZAXUFISLJAWTF-AWEZNQCLSA-N 1 2 374.435 3.467 20 30 FGEDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cn2c(n1)CCCC2 ZINC000328722629 498915261 /nfs/dbraw/zinc/91/52/61/498915261.db2.gz RZAXUFISLJAWTF-AWEZNQCLSA-N 1 2 374.435 3.467 20 30 FGEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1coc(C2CCCCC2)n1 ZINC000328757863 498928599 /nfs/dbraw/zinc/92/85/99/498928599.db2.gz VJFZPRCTBQKMLY-UHFFFAOYSA-N 1 2 370.453 3.459 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCCO1 ZINC000328773494 498934073 /nfs/dbraw/zinc/93/40/73/498934073.db2.gz HLQLVNTYVLQITF-GDBMZVCRSA-N 1 2 366.531 3.421 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCCO1 ZINC000328773494 498934079 /nfs/dbraw/zinc/93/40/79/498934079.db2.gz HLQLVNTYVLQITF-GDBMZVCRSA-N 1 2 366.531 3.421 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)CCC2 ZINC000328775242 498935739 /nfs/dbraw/zinc/93/57/39/498935739.db2.gz HVRQNEVPQVTZHT-ZWKOTPCHSA-N 1 2 366.465 3.330 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CC(C)(C)CC#N ZINC000295229330 498949080 /nfs/dbraw/zinc/94/90/80/498949080.db2.gz WRGXRJGYUINKRL-MRXNPFEDSA-N 1 2 374.510 3.079 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328826027 498950482 /nfs/dbraw/zinc/95/04/82/498950482.db2.gz HVZQANUSJRMVAG-QUCCMNQESA-N 1 2 364.449 3.304 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cccc3c1O[C@H](C)C(=O)N3)CCC2 ZINC000328831303 498954242 /nfs/dbraw/zinc/95/42/42/498954242.db2.gz RGIKLUOMRYHZPV-OLZOCXBDSA-N 1 2 354.410 3.443 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnc3c(cnn3CC(C)C)c1)CCC2 ZINC000328851074 498961752 /nfs/dbraw/zinc/96/17/52/498961752.db2.gz WOPFBJDAIYFPQC-HNNXBMFYSA-N 1 2 366.469 3.474 20 30 FGEDLO Cc1cc(NC(=O)c2nccn3ccnc23)c[nH+]c1N1CCCC[C@@H]1C ZINC000328984736 499006186 /nfs/dbraw/zinc/00/61/86/499006186.db2.gz SZEIBZHESKQBHD-AWEZNQCLSA-N 1 2 350.426 3.448 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C1CCOCC1 ZINC000328991602 499008579 /nfs/dbraw/zinc/00/85/79/499008579.db2.gz FPUVZIUMVDOBED-FZKQIMNGSA-N 1 2 373.501 3.481 20 30 FGEDLO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329046412 499025645 /nfs/dbraw/zinc/02/56/45/499025645.db2.gz JPKUMTBYAGWNGX-WWNBULGVSA-N 1 2 360.502 3.080 20 30 FGEDLO Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH+]ccn2C)cc1C ZINC000366695231 499036344 /nfs/dbraw/zinc/03/63/44/499036344.db2.gz MIMWGOPCQCAAIH-IBGZPJMESA-N 1 2 365.481 3.121 20 30 FGEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000329122444 499049580 /nfs/dbraw/zinc/04/95/80/499049580.db2.gz KWDDEOXBCGNTKX-LPHOPBHVSA-N 1 2 354.454 3.001 20 30 FGEDLO Cn1nccc1[C@@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329243243 499082251 /nfs/dbraw/zinc/08/22/51/499082251.db2.gz STAAOMZZJCBLGV-INIZCTEOSA-N 1 2 372.860 3.362 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCCNC3=O)c[nH+]2)C[C@H](C)O1 ZINC000329258234 499085704 /nfs/dbraw/zinc/08/57/04/499085704.db2.gz YIAWYLGLCKDXIS-UXLLHSPISA-N 1 2 374.485 3.298 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC3(CC3)C2)ccc1Cl ZINC000329360097 499107627 /nfs/dbraw/zinc/10/76/27/499107627.db2.gz CAORDVLOAGGEOF-UHFFFAOYSA-N 1 2 361.873 3.008 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCOCC3(CC3)C2)ccc1Cl ZINC000329360097 499107631 /nfs/dbraw/zinc/10/76/31/499107631.db2.gz CAORDVLOAGGEOF-UHFFFAOYSA-N 1 2 361.873 3.008 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)CCCC#N)cc1 ZINC000291953002 499109454 /nfs/dbraw/zinc/10/94/54/499109454.db2.gz CRJIQYMVJAHADW-UHFFFAOYSA-N 1 2 354.454 3.395 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCn3cncc3C2)C[C@H](C)O1 ZINC000329473826 499126590 /nfs/dbraw/zinc/12/65/90/499126590.db2.gz ORDWOBMSDRHHHS-BBWFWOEESA-N 1 2 368.481 3.343 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCn3cncc3C2)C[C@H](C)O1 ZINC000329473826 499126591 /nfs/dbraw/zinc/12/65/91/499126591.db2.gz ORDWOBMSDRHHHS-BBWFWOEESA-N 1 2 368.481 3.343 20 30 FGEDLO CCCC[C@H](ON=C(C)C)C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369932113 499153644 /nfs/dbraw/zinc/15/36/44/499153644.db2.gz CJENVFRQCITBTE-SFHVURJKSA-N 1 2 360.502 3.480 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467944 499202783 /nfs/dbraw/zinc/20/27/83/499202783.db2.gz ZFCJCOPYIKVUBO-OALUTQOASA-N 1 2 368.506 3.251 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000367467944 499202784 /nfs/dbraw/zinc/20/27/84/499202784.db2.gz ZFCJCOPYIKVUBO-OALUTQOASA-N 1 2 368.506 3.251 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367761055 499231395 /nfs/dbraw/zinc/23/13/95/499231395.db2.gz OSHOZKGBBAUKGB-RBUKOAKNSA-N 1 2 350.466 3.003 20 30 FGEDLO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371461331 499330045 /nfs/dbraw/zinc/33/00/45/499330045.db2.gz XFEXDFZRIMKGMT-BMFSITKCSA-N 1 2 359.429 3.054 20 30 FGEDLO COc1ccccc1/C=C/C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000371461331 499330046 /nfs/dbraw/zinc/33/00/46/499330046.db2.gz XFEXDFZRIMKGMT-BMFSITKCSA-N 1 2 359.429 3.054 20 30 FGEDLO C=CCc1cc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc(OC)c1OC ZINC000371462717 499330138 /nfs/dbraw/zinc/33/01/38/499330138.db2.gz FBGCRRFYKIDJMZ-INIZCTEOSA-N 1 2 355.438 3.143 20 30 FGEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000371591750 499345083 /nfs/dbraw/zinc/34/50/83/499345083.db2.gz GHWZCDMBCUGUEW-HSZRJFAPSA-N 1 2 370.456 3.291 20 30 FGEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000371591750 499345084 /nfs/dbraw/zinc/34/50/84/499345084.db2.gz GHWZCDMBCUGUEW-HSZRJFAPSA-N 1 2 370.456 3.291 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371622255 499348247 /nfs/dbraw/zinc/34/82/47/499348247.db2.gz USODQTQTMKIUSN-IIBYNOLFSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000371622255 499348249 /nfs/dbraw/zinc/34/82/49/499348249.db2.gz USODQTQTMKIUSN-IIBYNOLFSA-N 1 2 368.456 3.250 20 30 FGEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC000369092071 499364751 /nfs/dbraw/zinc/36/47/51/499364751.db2.gz MHUMRZQZNZPXHI-INIZCTEOSA-N 1 2 359.861 3.394 20 30 FGEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(Cl)ccc3C#N)CC2)no1 ZINC000369092071 499364752 /nfs/dbraw/zinc/36/47/52/499364752.db2.gz MHUMRZQZNZPXHI-INIZCTEOSA-N 1 2 359.861 3.394 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000369128621 499368474 /nfs/dbraw/zinc/36/84/74/499368474.db2.gz WDOYSHMTHWWOQJ-LJQANCHMSA-N 1 2 362.477 3.430 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000369214435 499378332 /nfs/dbraw/zinc/37/83/32/499378332.db2.gz KBSJGWKRXIKXAP-RBUKOAKNSA-N 1 2 366.509 3.120 20 30 FGEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000372197213 499407988 /nfs/dbraw/zinc/40/79/88/499407988.db2.gz MPZXBLSKAVOZLT-UHFFFAOYSA-N 1 2 372.419 3.100 20 30 FGEDLO N#CCCCn1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c2ccccc21 ZINC000373063856 499449659 /nfs/dbraw/zinc/44/96/59/499449659.db2.gz QVGFNDYBMHIFQW-KRWDZBQOSA-N 1 2 361.449 3.446 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)s2)cc1 ZINC000373569235 499477405 /nfs/dbraw/zinc/47/74/05/499477405.db2.gz RAQAROAQPMLMQR-HNNXBMFYSA-N 1 2 363.446 3.003 20 30 FGEDLO N#CC1(c2ccc(C(=O)NC3CC[NH+](Cc4cscn4)CC3)cc2)CC1 ZINC000378526624 499528354 /nfs/dbraw/zinc/52/83/54/499528354.db2.gz QRVZHOMWRBZEIC-UHFFFAOYSA-N 1 2 366.490 3.093 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)ccc1Cl ZINC000375730010 499549490 /nfs/dbraw/zinc/54/94/90/499549490.db2.gz JMXXOLDJLSIBFZ-SFHVURJKSA-N 1 2 371.872 3.455 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)ccc1Cl ZINC000375730010 499549492 /nfs/dbraw/zinc/54/94/92/499549492.db2.gz JMXXOLDJLSIBFZ-SFHVURJKSA-N 1 2 371.872 3.455 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3c3nccs3)C2=O)cc1 ZINC000375831863 499560250 /nfs/dbraw/zinc/56/02/50/499560250.db2.gz PBCBSFJVOOQQCE-DLBZAZTESA-N 1 2 352.463 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3c3nccs3)C2=O)cc1 ZINC000375831863 499560251 /nfs/dbraw/zinc/56/02/51/499560251.db2.gz PBCBSFJVOOQQCE-DLBZAZTESA-N 1 2 352.463 3.347 20 30 FGEDLO CC(C)(C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(F)cc(C#N)c1 ZINC000376110903 499583759 /nfs/dbraw/zinc/58/37/59/499583759.db2.gz BZBJLUHTSYJUAB-SFHVURJKSA-N 1 2 366.440 3.155 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncon1)CCCC2 ZINC000377498360 499697678 /nfs/dbraw/zinc/69/76/78/499697678.db2.gz WTGWDAKJJWMUNY-AWEZNQCLSA-N 1 2 371.466 3.047 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncon1)CCCC2 ZINC000377498360 499697679 /nfs/dbraw/zinc/69/76/79/499697679.db2.gz WTGWDAKJJWMUNY-AWEZNQCLSA-N 1 2 371.466 3.047 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000411125755 499700628 /nfs/dbraw/zinc/70/06/28/499700628.db2.gz LUTVLJMGNCWBRM-IFMALSPDSA-N 1 2 363.436 3.087 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411191842 499708901 /nfs/dbraw/zinc/70/89/01/499708901.db2.gz KNORXVHBTOKYLH-HNNXBMFYSA-N 1 2 371.441 3.387 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411191842 499708903 /nfs/dbraw/zinc/70/89/03/499708903.db2.gz KNORXVHBTOKYLH-HNNXBMFYSA-N 1 2 371.441 3.387 20 30 FGEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000411203439 499710631 /nfs/dbraw/zinc/71/06/31/499710631.db2.gz ZFPXEEJCXDTNTD-OAHLLOKOSA-N 1 2 367.449 3.425 20 30 FGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000411203439 499710632 /nfs/dbraw/zinc/71/06/32/499710632.db2.gz ZFPXEEJCXDTNTD-OAHLLOKOSA-N 1 2 367.449 3.425 20 30 FGEDLO N#CCCCOc1cccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000414508706 499800665 /nfs/dbraw/zinc/80/06/65/499800665.db2.gz RNVCVGPJOHDEDP-UHFFFAOYSA-N 1 2 350.344 3.468 20 30 FGEDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413031179 499905230 /nfs/dbraw/zinc/90/52/30/499905230.db2.gz WSOKDFNCGMEBHZ-QGZVFWFLSA-N 1 2 372.450 3.322 20 30 FGEDLO C=CCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCOCC1 ZINC000424853788 499955513 /nfs/dbraw/zinc/95/55/13/499955513.db2.gz MMKSFCIMHZSAJK-UHFFFAOYSA-N 1 2 357.498 3.298 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429257297 500035855 /nfs/dbraw/zinc/03/58/55/500035855.db2.gz ZSURQPQYTRDJQZ-HOTGVXAUSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429257297 500035857 /nfs/dbraw/zinc/03/58/57/500035857.db2.gz ZSURQPQYTRDJQZ-HOTGVXAUSA-N 1 2 366.440 3.235 20 30 FGEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]c2c1 ZINC000416703028 500091596 /nfs/dbraw/zinc/09/15/96/500091596.db2.gz ZYIUPMYMPYPWGB-LJQANCHMSA-N 1 2 359.433 3.391 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425472670 500115389 /nfs/dbraw/zinc/11/53/89/500115389.db2.gz JVXLDSPGWYJVCZ-AADNMHCOSA-N 1 2 364.852 3.216 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425472670 500115391 /nfs/dbraw/zinc/11/53/91/500115391.db2.gz JVXLDSPGWYJVCZ-AADNMHCOSA-N 1 2 364.852 3.216 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000413991487 500118126 /nfs/dbraw/zinc/11/81/26/500118126.db2.gz VZYRXQOBUFPTDC-NRFANRHFSA-N 1 2 364.489 3.436 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000582297937 506180287 /nfs/dbraw/zinc/18/02/87/506180287.db2.gz PSUAZXGBZWPTKI-OJAHFUOMSA-N 1 2 366.465 3.002 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000573369805 506182083 /nfs/dbraw/zinc/18/20/83/506182083.db2.gz NVQVKVXEWVUGNJ-HNNXBMFYSA-N 1 2 361.445 3.441 20 30 FGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000573369805 506182086 /nfs/dbraw/zinc/18/20/86/506182086.db2.gz NVQVKVXEWVUGNJ-HNNXBMFYSA-N 1 2 361.445 3.441 20 30 FGEDLO N#Cc1csc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)n1 ZINC000573369904 506182185 /nfs/dbraw/zinc/18/21/85/506182185.db2.gz PPZFJOGZGUWBIX-UHFFFAOYSA-N 1 2 366.446 3.157 20 30 FGEDLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)o1 ZINC000430223459 500211296 /nfs/dbraw/zinc/21/12/96/500211296.db2.gz WCTJYIFFLYFVQY-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(C#N)o1 ZINC000430223459 500211299 /nfs/dbraw/zinc/21/12/99/500211299.db2.gz WCTJYIFFLYFVQY-UHFFFAOYSA-N 1 2 359.429 3.489 20 30 FGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431191790 500347667 /nfs/dbraw/zinc/34/76/67/500347667.db2.gz KXNOOPXOWWWASP-OAHLLOKOSA-N 1 2 360.889 3.422 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000428000046 500456832 /nfs/dbraw/zinc/45/68/32/500456832.db2.gz HKSJNSPEQYCVDQ-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000432112333 500471543 /nfs/dbraw/zinc/47/15/43/500471543.db2.gz YSNVMDGIENTFMX-HOTGVXAUSA-N 1 2 360.502 3.097 20 30 FGEDLO Cc1cc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000420698528 500489225 /nfs/dbraw/zinc/48/92/25/500489225.db2.gz LKJLEPYQWORQMH-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO Cc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(C#N)cc1N(C)C ZINC000573463993 506199574 /nfs/dbraw/zinc/19/95/74/506199574.db2.gz XNSYVZALGUGHJI-KRWDZBQOSA-N 1 2 366.469 3.281 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000428469487 500514031 /nfs/dbraw/zinc/51/40/31/500514031.db2.gz UWIGWADCCONFPT-INIZCTEOSA-N 1 2 353.470 3.500 20 30 FGEDLO N#Cc1c(F)cccc1CN1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428472275 500514809 /nfs/dbraw/zinc/51/48/09/500514809.db2.gz GZTVKJKCUDRMHV-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO N#Cc1c(F)cccc1CN1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428472275 500514812 /nfs/dbraw/zinc/51/48/12/500514812.db2.gz GZTVKJKCUDRMHV-UHFFFAOYSA-N 1 2 366.415 3.416 20 30 FGEDLO CC[C@@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H](CC)O1 ZINC000420963978 500542774 /nfs/dbraw/zinc/54/27/74/500542774.db2.gz WHGVYDGCNYODJI-RTBURBONSA-N 1 2 357.498 3.440 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCOCC1 ZINC000424732058 500552501 /nfs/dbraw/zinc/55/25/01/500552501.db2.gz GOUYSDGOUVZBPQ-UHFFFAOYSA-N 1 2 362.901 3.357 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)C1=O ZINC000428784435 500556817 /nfs/dbraw/zinc/55/68/17/500556817.db2.gz YDCGYURKNRRATF-XOKHGSTOSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)C1=O ZINC000428784435 500556819 /nfs/dbraw/zinc/55/68/19/500556819.db2.gz YDCGYURKNRRATF-XOKHGSTOSA-N 1 2 368.399 3.254 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)oc1C ZINC000432785015 500563159 /nfs/dbraw/zinc/56/31/59/500563159.db2.gz RFFZIWQGVADIKH-KXBFYZLASA-N 1 2 367.449 3.318 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421043555 500563510 /nfs/dbraw/zinc/56/35/10/500563510.db2.gz QZKZNSLYWIDGGE-BTYIYWSLSA-N 1 2 373.497 3.111 20 30 FGEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000421043555 500563513 /nfs/dbraw/zinc/56/35/13/500563513.db2.gz QZKZNSLYWIDGGE-BTYIYWSLSA-N 1 2 373.497 3.111 20 30 FGEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3F)CC2)oc1C ZINC000432934150 500593130 /nfs/dbraw/zinc/59/31/30/500593130.db2.gz YTALQVDJPFTBTF-CYBMUJFWSA-N 1 2 371.412 3.269 20 30 FGEDLO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000442793893 500626754 /nfs/dbraw/zinc/62/67/54/500626754.db2.gz BYTNTSBECGXXFZ-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000442793893 500626758 /nfs/dbraw/zinc/62/67/58/500626758.db2.gz BYTNTSBECGXXFZ-AWEZNQCLSA-N 1 2 358.463 3.163 20 30 FGEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3ccco3)CC2)cc1Br ZINC000570651487 506210396 /nfs/dbraw/zinc/21/03/96/506210396.db2.gz RNELNVMZPMKIRG-UHFFFAOYSA-N 1 2 364.218 3.375 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000438002647 500727294 /nfs/dbraw/zinc/72/72/94/500727294.db2.gz UNRHLRSFBMSMCW-LKKUEKHWSA-N 1 2 369.509 3.008 20 30 FGEDLO CC(F)(F)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000448577381 500775545 /nfs/dbraw/zinc/77/55/45/500775545.db2.gz ISJWNYRRBMMBJN-UHFFFAOYSA-N 1 2 370.403 3.023 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000448580325 500776557 /nfs/dbraw/zinc/77/65/57/500776557.db2.gz XVNJDBBWIHNMQD-UHFFFAOYSA-N 1 2 350.466 3.276 20 30 FGEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000439131957 500861436 /nfs/dbraw/zinc/86/14/36/500861436.db2.gz PIILVFOCYFWGAV-UHFFFAOYSA-N 1 2 369.350 3.245 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOc4c(F)cccc4C3)C2=O)cc1 ZINC000434623588 500868130 /nfs/dbraw/zinc/86/81/30/500868130.db2.gz DDQPJEDYSVBGTR-LJQANCHMSA-N 1 2 365.408 3.087 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOc4c(F)cccc4C3)C2=O)cc1 ZINC000434623588 500868132 /nfs/dbraw/zinc/86/81/32/500868132.db2.gz DDQPJEDYSVBGTR-LJQANCHMSA-N 1 2 365.408 3.087 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000611579921 506221588 /nfs/dbraw/zinc/22/15/88/506221588.db2.gz ZTOHQZXPYXDUDN-OAHLLOKOSA-N 1 2 371.815 3.290 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1)c1cccc(Cl)c1 ZINC000611579921 506221589 /nfs/dbraw/zinc/22/15/89/506221589.db2.gz ZTOHQZXPYXDUDN-OAHLLOKOSA-N 1 2 371.815 3.290 20 30 FGEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434866009 500904397 /nfs/dbraw/zinc/90/43/97/500904397.db2.gz VCWJHLMPKUHQNE-FZMZJTMJSA-N 1 2 359.426 3.224 20 30 FGEDLO C=CCC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCC1 ZINC000449204275 500947643 /nfs/dbraw/zinc/94/76/43/500947643.db2.gz JFTQPEFQXYTCCH-UHFFFAOYSA-N 1 2 369.509 3.342 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cn21 ZINC000592745517 506226116 /nfs/dbraw/zinc/22/61/16/506226116.db2.gz HNFRNPBVUMTPAD-UHFFFAOYSA-N 1 2 364.424 3.290 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435604517 501000692 /nfs/dbraw/zinc/00/06/92/501000692.db2.gz DXRIANANTWZOSQ-DNVCBOLYSA-N 1 2 368.437 3.429 20 30 FGEDLO Cn1cc(Br)c(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000449483175 501014383 /nfs/dbraw/zinc/01/43/83/501014383.db2.gz GXLXWNLKGXVXAQ-UHFFFAOYSA-N 1 2 363.259 3.155 20 30 FGEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000611626331 506232512 /nfs/dbraw/zinc/23/25/12/506232512.db2.gz RYXKVVKAFMQOBB-GOSISDBHSA-N 1 2 351.454 3.039 20 30 FGEDLO CC(C)C(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000446221018 501090753 /nfs/dbraw/zinc/09/07/53/501090753.db2.gz VAWFQKPXRSQREX-UHFFFAOYSA-N 1 2 356.514 3.314 20 30 FGEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449832483 501100859 /nfs/dbraw/zinc/10/08/59/501100859.db2.gz BBGSDVCRNSOFSW-UHFFFAOYSA-N 1 2 360.889 3.234 20 30 FGEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449832483 501100861 /nfs/dbraw/zinc/10/08/61/501100861.db2.gz BBGSDVCRNSOFSW-UHFFFAOYSA-N 1 2 360.889 3.234 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(C#N)CCCC2)[C@@H](C)C1 ZINC000441454961 501142339 /nfs/dbraw/zinc/14/23/39/501142339.db2.gz UUUBFNJZIQQNAN-KRWDZBQOSA-N 1 2 355.482 3.202 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(C#N)CCCC2)[C@@H](C)C1 ZINC000441454961 501142342 /nfs/dbraw/zinc/14/23/42/501142342.db2.gz UUUBFNJZIQQNAN-KRWDZBQOSA-N 1 2 355.482 3.202 20 30 FGEDLO Cc1cccc([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000450257225 501220459 /nfs/dbraw/zinc/22/04/59/501220459.db2.gz KKBSNYWYMQHMJV-IBGZPJMESA-N 1 2 366.421 3.260 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316786 501232036 /nfs/dbraw/zinc/23/20/36/501232036.db2.gz GBZRAFABLGVGRB-CZUORRHYSA-N 1 2 372.450 3.402 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNc2cccc(C#N)c2[N+](=O)[O-])c2cccs2)CCO1 ZINC000450316786 501232038 /nfs/dbraw/zinc/23/20/38/501232038.db2.gz GBZRAFABLGVGRB-CZUORRHYSA-N 1 2 372.450 3.402 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000455455338 501306758 /nfs/dbraw/zinc/30/67/58/501306758.db2.gz CRTNACMRHQSAJS-CYBMUJFWSA-N 1 2 364.371 3.334 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455528910 501325877 /nfs/dbraw/zinc/32/58/77/501325877.db2.gz AZGABYZBSZAVAJ-UHFFFAOYSA-N 1 2 357.433 3.078 20 30 FGEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000455743962 501377346 /nfs/dbraw/zinc/37/73/46/501377346.db2.gz DNAVTORDTXAZGS-UHFFFAOYSA-N 1 2 369.856 3.151 20 30 FGEDLO CCO[C@@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@H](OCC)C3)c2C#N)C1 ZINC000596087586 506249793 /nfs/dbraw/zinc/24/97/93/506249793.db2.gz IFSIWFFRQWJNAH-MSOLQXFVSA-N 1 2 372.513 3.272 20 30 FGEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452034742 501421890 /nfs/dbraw/zinc/42/18/90/501421890.db2.gz FJTYGGFABSXAAS-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000452034742 501421891 /nfs/dbraw/zinc/42/18/91/501421891.db2.gz FJTYGGFABSXAAS-JKSUJKDBSA-N 1 2 361.511 3.378 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000455949033 501423723 /nfs/dbraw/zinc/42/37/23/501423723.db2.gz QHXQJRZRGINWLU-VQIMIIECSA-N 1 2 350.466 3.433 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000458387620 501433222 /nfs/dbraw/zinc/43/32/22/501433222.db2.gz XQNHDWNTRYITOH-AWEZNQCLSA-N 1 2 364.440 3.168 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000458387620 501433226 /nfs/dbraw/zinc/43/32/26/501433226.db2.gz XQNHDWNTRYITOH-AWEZNQCLSA-N 1 2 364.440 3.168 20 30 FGEDLO C=CCC(C)(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000456981622 501629550 /nfs/dbraw/zinc/62/95/50/501629550.db2.gz NSHTZLGFZGAIGF-UHFFFAOYSA-N 1 2 368.275 3.222 20 30 FGEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459368004 501640959 /nfs/dbraw/zinc/64/09/59/501640959.db2.gz OPZQGJRBSIDFFE-OAHLLOKOSA-N 1 2 354.414 3.018 20 30 FGEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459368004 501640961 /nfs/dbraw/zinc/64/09/61/501640961.db2.gz OPZQGJRBSIDFFE-OAHLLOKOSA-N 1 2 354.414 3.018 20 30 FGEDLO COc1cc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc(OC)c1OC ZINC000459387415 501644415 /nfs/dbraw/zinc/64/44/15/501644415.db2.gz CZEUKEHYHXUVTP-LBPRGKRZSA-N 1 2 371.393 3.343 20 30 FGEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000459389366 501644714 /nfs/dbraw/zinc/64/47/14/501644714.db2.gz HNUVETUTPQBDQQ-AWEZNQCLSA-N 1 2 364.405 3.444 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459462411 501658337 /nfs/dbraw/zinc/65/83/37/501658337.db2.gz JPSCGUGLPASGTQ-YWPYICTPSA-N 1 2 363.483 3.096 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc4cc(F)ccc43)CC2)cc1 ZINC000474188827 501736589 /nfs/dbraw/zinc/73/65/89/501736589.db2.gz KJQWWVLGLLQLLS-UHFFFAOYSA-N 1 2 363.392 3.402 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302598 501764932 /nfs/dbraw/zinc/76/49/32/501764932.db2.gz JDICKYTYMXTONG-PVAVHDDUSA-N 1 2 351.368 3.330 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000467302598 501764940 /nfs/dbraw/zinc/76/49/40/501764940.db2.gz JDICKYTYMXTONG-PVAVHDDUSA-N 1 2 351.368 3.330 20 30 FGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000474293529 501779302 /nfs/dbraw/zinc/77/93/02/501779302.db2.gz MFCPZOFVWYDRQC-GOSISDBHSA-N 1 2 353.491 3.480 20 30 FGEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477760753 501779588 /nfs/dbraw/zinc/77/95/88/501779588.db2.gz QPBULRRCKFCPSO-HXUWFJFHSA-N 1 2 350.418 3.100 20 30 FGEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477760753 501779592 /nfs/dbraw/zinc/77/95/92/501779592.db2.gz QPBULRRCKFCPSO-HXUWFJFHSA-N 1 2 350.418 3.100 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000460510958 501844815 /nfs/dbraw/zinc/84/48/15/501844815.db2.gz KWCWVXNYGZHVQC-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC000481684039 501848117 /nfs/dbraw/zinc/84/81/17/501848117.db2.gz LRRONMBKNUDVIR-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470904296 501848325 /nfs/dbraw/zinc/84/83/25/501848325.db2.gz TYRAZTGDJWHOBK-KSSFIOAISA-N 1 2 361.873 3.086 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470904296 501848328 /nfs/dbraw/zinc/84/83/28/501848328.db2.gz TYRAZTGDJWHOBK-KSSFIOAISA-N 1 2 361.873 3.086 20 30 FGEDLO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000460600720 501873376 /nfs/dbraw/zinc/87/33/76/501873376.db2.gz VMPZLFZGIBGNJN-GOSISDBHSA-N 1 2 366.461 3.185 20 30 FGEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)N[C@@H](C#N)C(C)C)c3)cn2c1 ZINC000464309896 501949823 /nfs/dbraw/zinc/94/98/23/501949823.db2.gz IOHCJGHLKGUOEU-IBGZPJMESA-N 1 2 362.433 3.500 20 30 FGEDLO C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000464755219 502083825 /nfs/dbraw/zinc/08/38/25/502083825.db2.gz IUQGROIIWKZMQR-RHSMWYFYSA-N 1 2 365.905 3.366 20 30 FGEDLO C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000464755219 502083828 /nfs/dbraw/zinc/08/38/28/502083828.db2.gz IUQGROIIWKZMQR-RHSMWYFYSA-N 1 2 365.905 3.366 20 30 FGEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000602768348 506292622 /nfs/dbraw/zinc/29/26/22/506292622.db2.gz ULYKAVWOSKFLHS-UHFFFAOYSA-N 1 2 351.372 3.157 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cccc(C#N)n2)CC1 ZINC000468749520 502169780 /nfs/dbraw/zinc/16/97/80/502169780.db2.gz MQEDJLWBJGVATC-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO Cc1[nH+]c(N2CCC(CC#N)CC2)nc(N2CCC(CC#N)CC2)c1F ZINC000596190695 506301950 /nfs/dbraw/zinc/30/19/50/506301950.db2.gz WWXFNNKYWYPVBF-UHFFFAOYSA-N 1 2 356.449 3.184 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000479389027 502243526 /nfs/dbraw/zinc/24/35/26/502243526.db2.gz UPLVWUOSKCJZIX-AWEZNQCLSA-N 1 2 364.380 3.421 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483110975 502276172 /nfs/dbraw/zinc/27/61/72/502276172.db2.gz ZOUMJULUNJUAEO-HNNXBMFYSA-N 1 2 354.303 3.419 20 30 FGEDLO CCC1=CC(=NC(=O)c2cc(C#N)c(SC)nc2O)c2ccccc2[NH2+]1 ZINC000487036542 502338138 /nfs/dbraw/zinc/33/81/38/502338138.db2.gz PXSTXNWISQWTNB-UHFFFAOYSA-N 1 2 364.430 3.166 20 30 FGEDLO C=CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000483349208 502357891 /nfs/dbraw/zinc/35/78/91/502357891.db2.gz YHZMCZBDGSJEIJ-FQEVSTJZSA-N 1 2 351.450 3.059 20 30 FGEDLO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000483349208 502357895 /nfs/dbraw/zinc/35/78/95/502357895.db2.gz YHZMCZBDGSJEIJ-FQEVSTJZSA-N 1 2 351.450 3.059 20 30 FGEDLO C[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000462335511 502397358 /nfs/dbraw/zinc/39/73/58/502397358.db2.gz YATQPODIXHAKBF-OAHLLOKOSA-N 1 2 367.880 3.490 20 30 FGEDLO C[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000462335511 502397362 /nfs/dbraw/zinc/39/73/62/502397362.db2.gz YATQPODIXHAKBF-OAHLLOKOSA-N 1 2 367.880 3.490 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000476162706 502402217 /nfs/dbraw/zinc/40/22/17/502402217.db2.gz UWKFEPLKQJEDCM-UHFFFAOYSA-N 1 2 358.445 3.300 20 30 FGEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)s1 ZINC000483482972 502405320 /nfs/dbraw/zinc/40/53/20/502405320.db2.gz DQNIPZHQUPAGKY-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)s1 ZINC000483482972 502405326 /nfs/dbraw/zinc/40/53/26/502405326.db2.gz DQNIPZHQUPAGKY-UHFFFAOYSA-N 1 2 357.298 3.438 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000472845298 502457829 /nfs/dbraw/zinc/45/78/29/502457829.db2.gz FKFGYZKMODQNHK-UHFFFAOYSA-N 1 2 362.433 3.186 20 30 FGEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3CCCO[C@@H](CC)C3)c2C#N)CCCO1 ZINC000596220662 506316962 /nfs/dbraw/zinc/31/69/62/506316962.db2.gz QIVJIZIOMUPIHO-MSOLQXFVSA-N 1 2 372.513 3.272 20 30 FGEDLO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000487917901 502567036 /nfs/dbraw/zinc/56/70/36/502567036.db2.gz MXWRZPCCMSVWKR-LJQANCHMSA-N 1 2 366.465 3.084 20 30 FGEDLO CCc1sc(-c2nnc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)o2)cc1C ZINC000602856462 506329913 /nfs/dbraw/zinc/32/99/13/506329913.db2.gz JVWDHFCWBOASMW-KBPBESRZSA-N 1 2 359.499 3.087 20 30 FGEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866651 506331178 /nfs/dbraw/zinc/33/11/78/506331178.db2.gz WYXDKSRZIXNKQL-JHJVBQTASA-N 1 2 369.296 3.239 20 30 FGEDLO C=CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000474009236 502778482 /nfs/dbraw/zinc/77/84/82/502778482.db2.gz MAHLLHPEBQNTNZ-ZWKOTPCHSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000474009236 502778485 /nfs/dbraw/zinc/77/84/85/502778485.db2.gz MAHLLHPEBQNTNZ-ZWKOTPCHSA-N 1 2 365.905 3.367 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509278548 502866372 /nfs/dbraw/zinc/86/63/72/502866372.db2.gz HWFNJFBUZDYZEC-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509278548 502866375 /nfs/dbraw/zinc/86/63/75/502866375.db2.gz HWFNJFBUZDYZEC-UHFFFAOYSA-N 1 2 372.375 3.457 20 30 FGEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CC2)c1 ZINC000505198411 502868699 /nfs/dbraw/zinc/86/86/99/502868699.db2.gz VYXBHKFAMIYBGX-UHFFFAOYSA-N 1 2 364.424 3.041 20 30 FGEDLO CCOC(=O)C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000496221058 502879410 /nfs/dbraw/zinc/87/94/10/502879410.db2.gz DVWOSFPJFHVBEW-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO CCOC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000496221058 502879414 /nfs/dbraw/zinc/87/94/14/502879414.db2.gz DVWOSFPJFHVBEW-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000513281020 502895228 /nfs/dbraw/zinc/89/52/28/502895228.db2.gz IYSATWREJRSQFC-UHFFFAOYSA-N 1 2 350.809 3.024 20 30 FGEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602894375 506341129 /nfs/dbraw/zinc/34/11/29/506341129.db2.gz MIXMUSVBOPYJDJ-CQSZACIVSA-N 1 2 355.442 3.115 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)ccc1Br ZINC000501032701 502917000 /nfs/dbraw/zinc/91/70/00/502917000.db2.gz BBXBZLRSKJTAIL-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501064138 502925810 /nfs/dbraw/zinc/92/58/10/502925810.db2.gz TXYCNEKLORKIEJ-VQIMIIECSA-N 1 2 352.434 3.408 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501064138 502925812 /nfs/dbraw/zinc/92/58/12/502925812.db2.gz TXYCNEKLORKIEJ-VQIMIIECSA-N 1 2 352.434 3.408 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835815 502995705 /nfs/dbraw/zinc/99/57/05/502995705.db2.gz ZIBXYZGFGNDHMA-WBVHZDCISA-N 1 2 367.449 3.496 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](COc3ccccc3)C2)c(C#N)c1C ZINC000505835815 502995708 /nfs/dbraw/zinc/99/57/08/502995708.db2.gz ZIBXYZGFGNDHMA-WBVHZDCISA-N 1 2 367.449 3.496 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000506069748 503041723 /nfs/dbraw/zinc/04/17/23/503041723.db2.gz FIIIRGHZMPPZBV-UHFFFAOYSA-N 1 2 350.422 3.093 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)c1 ZINC000501878713 503099644 /nfs/dbraw/zinc/09/96/44/503099644.db2.gz DTMDWAXBJYBNHM-UHFFFAOYSA-N 1 2 373.372 3.071 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490073509 503103527 /nfs/dbraw/zinc/10/35/27/503103527.db2.gz FPMSIOINMOHMDL-SNVBAGLBSA-N 1 2 368.384 3.001 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000514231515 503120078 /nfs/dbraw/zinc/12/00/78/503120078.db2.gz YTQGITDAOARVTR-QHCPKHFHSA-N 1 2 370.456 3.081 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000514231515 503120083 /nfs/dbraw/zinc/12/00/83/503120083.db2.gz YTQGITDAOARVTR-QHCPKHFHSA-N 1 2 370.456 3.081 20 30 FGEDLO C=CCN(CC(F)(F)F)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000514243635 503124644 /nfs/dbraw/zinc/12/46/44/503124644.db2.gz VXTABVPYGAPVHX-UHFFFAOYSA-N 1 2 357.401 3.453 20 30 FGEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000510889595 503212020 /nfs/dbraw/zinc/21/20/20/503212020.db2.gz YCDOWTVHMBHAJG-UHFFFAOYSA-N 1 2 359.304 3.032 20 30 FGEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000510900618 503214091 /nfs/dbraw/zinc/21/40/91/503214091.db2.gz DQAPWEAOZDQLRS-HOTGVXAUSA-N 1 2 357.473 3.459 20 30 FGEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502520312 503216772 /nfs/dbraw/zinc/21/67/72/503216772.db2.gz ACUJFFUBQDBQSN-UHFFFAOYSA-N 1 2 351.475 3.367 20 30 FGEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502520312 503216778 /nfs/dbraw/zinc/21/67/78/503216778.db2.gz ACUJFFUBQDBQSN-UHFFFAOYSA-N 1 2 351.475 3.367 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000510948269 503223565 /nfs/dbraw/zinc/22/35/65/503223565.db2.gz GSQSWRLIQBBFFY-LLVKDONJSA-N 1 2 354.223 3.104 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507705960 503351654 /nfs/dbraw/zinc/35/16/54/503351654.db2.gz XLPVOYUNQFUONB-AEFFLSMTSA-N 1 2 371.308 3.308 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507705960 503351656 /nfs/dbraw/zinc/35/16/56/503351656.db2.gz XLPVOYUNQFUONB-AEFFLSMTSA-N 1 2 371.308 3.308 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503242837 503376140 /nfs/dbraw/zinc/37/61/40/503376140.db2.gz PZPZBYIYIYXLDT-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503242837 503376143 /nfs/dbraw/zinc/37/61/43/503376143.db2.gz PZPZBYIYIYXLDT-INIZCTEOSA-N 1 2 351.450 3.218 20 30 FGEDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832443 503376805 /nfs/dbraw/zinc/37/68/05/503376805.db2.gz BKRPBCROGZIJLZ-UHFFFAOYSA-N 1 2 369.490 3.088 20 30 FGEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F ZINC000507874477 503384834 /nfs/dbraw/zinc/38/48/34/503384834.db2.gz QQLHRELWOYQZAG-UHFFFAOYSA-N 1 2 367.424 3.488 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000499575489 503434883 /nfs/dbraw/zinc/43/48/83/503434883.db2.gz MOUMHRATUXHYEJ-VGOFRKELSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000499575489 503434888 /nfs/dbraw/zinc/43/48/88/503434888.db2.gz MOUMHRATUXHYEJ-VGOFRKELSA-N 1 2 354.413 3.080 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494035654 503478059 /nfs/dbraw/zinc/47/80/59/503478059.db2.gz AENPXWQJJOFTLS-UHFFFAOYSA-N 1 2 355.463 3.062 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494035654 503478061 /nfs/dbraw/zinc/47/80/61/503478061.db2.gz AENPXWQJJOFTLS-UHFFFAOYSA-N 1 2 355.463 3.062 20 30 FGEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(F)F ZINC000494286400 503519598 /nfs/dbraw/zinc/51/95/98/503519598.db2.gz ZMTNQOCXKBWFGW-NSHDSACASA-N 1 2 353.438 3.414 20 30 FGEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1(F)F ZINC000494286400 503519601 /nfs/dbraw/zinc/51/96/01/503519601.db2.gz ZMTNQOCXKBWFGW-NSHDSACASA-N 1 2 353.438 3.414 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(F)(C#N)CC2)c(C)c1 ZINC000500106378 503555514 /nfs/dbraw/zinc/55/55/14/503555514.db2.gz OUTPQTUBKUMPAG-GOSISDBHSA-N 1 2 369.444 3.279 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c(F)c1 ZINC000512796749 503633467 /nfs/dbraw/zinc/63/34/67/503633467.db2.gz JEIFJJDXBVKRFH-UHFFFAOYSA-N 1 2 371.387 3.318 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)NCCSCc3ccccc3C#N)cc2n1C ZINC000527220040 503724575 /nfs/dbraw/zinc/72/45/75/503724575.db2.gz OTRZOXGTEFNKTG-UHFFFAOYSA-N 1 2 364.474 3.417 20 30 FGEDLO Cc1ccc([C@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000517428529 503742735 /nfs/dbraw/zinc/74/27/35/503742735.db2.gz DEYNWDWQYVCDPO-LJQANCHMSA-N 1 2 369.490 3.263 20 30 FGEDLO Cc1ccc([C@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000517428529 503742740 /nfs/dbraw/zinc/74/27/40/503742740.db2.gz DEYNWDWQYVCDPO-LJQANCHMSA-N 1 2 369.490 3.263 20 30 FGEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000517475144 503752599 /nfs/dbraw/zinc/75/25/99/503752599.db2.gz IBMJMADVDXEIEC-CYBMUJFWSA-N 1 2 350.353 3.289 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000543540098 503805327 /nfs/dbraw/zinc/80/53/27/503805327.db2.gz YGVSNXSGIIVOMX-OAHLLOKOSA-N 1 2 371.444 3.182 20 30 FGEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000537365476 503890372 /nfs/dbraw/zinc/89/03/72/503890372.db2.gz ULYRLDBACAPYAZ-QGZVFWFLSA-N 1 2 357.498 3.100 20 30 FGEDLO CSc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540790685 503894313 /nfs/dbraw/zinc/89/43/13/503894313.db2.gz OKIFWHQSJWINHJ-UHFFFAOYSA-N 1 2 365.502 3.167 20 30 FGEDLO Cc1cccc2[nH+]cc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)n21 ZINC000543852662 503914963 /nfs/dbraw/zinc/91/49/63/503914963.db2.gz FFCXKFUSBSFZFN-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO CCN(CC)C(=O)Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000537719764 504015899 /nfs/dbraw/zinc/01/58/99/504015899.db2.gz IBVPGUWRIFYOCJ-UHFFFAOYSA-N 1 2 361.449 3.229 20 30 FGEDLO N#Cc1cnc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000541237261 504055582 /nfs/dbraw/zinc/05/55/82/504055582.db2.gz CDLPSVIESPMIRP-UHFFFAOYSA-N 1 2 357.845 3.136 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000519000960 504115574 /nfs/dbraw/zinc/11/55/74/504115574.db2.gz YNDLMFRWOMKIQC-LIRRHRJNSA-N 1 2 363.864 3.294 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000519000960 504115579 /nfs/dbraw/zinc/11/55/79/504115579.db2.gz YNDLMFRWOMKIQC-LIRRHRJNSA-N 1 2 363.864 3.294 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1C#N ZINC000534472232 504150806 /nfs/dbraw/zinc/15/08/06/504150806.db2.gz MQYIMLFZHQWGGR-UHFFFAOYSA-N 1 2 372.852 3.383 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1C#N ZINC000534472232 504150811 /nfs/dbraw/zinc/15/08/11/504150811.db2.gz MQYIMLFZHQWGGR-UHFFFAOYSA-N 1 2 372.852 3.383 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534529328 504166899 /nfs/dbraw/zinc/16/68/99/504166899.db2.gz DIKSLIMXCFNQFZ-UHFFFAOYSA-N 1 2 369.490 3.122 20 30 FGEDLO C=CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000531143539 504204011 /nfs/dbraw/zinc/20/40/11/504204011.db2.gz RSCCBBNBSWOGIW-HNNXBMFYSA-N 1 2 357.454 3.372 20 30 FGEDLO C=CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000531143539 504204023 /nfs/dbraw/zinc/20/40/23/504204023.db2.gz RSCCBBNBSWOGIW-HNNXBMFYSA-N 1 2 357.454 3.372 20 30 FGEDLO Cc1ccc2[nH+]cc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)n2c1 ZINC000541991897 504327373 /nfs/dbraw/zinc/32/73/73/504327373.db2.gz FYMGOZPQMVPHBY-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788147 504371705 /nfs/dbraw/zinc/37/17/05/504371705.db2.gz MFVSVUAEOGHMHS-HUUCEWRRSA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000538788147 504371712 /nfs/dbraw/zinc/37/17/12/504371712.db2.gz MFVSVUAEOGHMHS-HUUCEWRRSA-N 1 2 372.465 3.479 20 30 FGEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000535225967 504377358 /nfs/dbraw/zinc/37/73/58/504377358.db2.gz MQHHYCGTCBURGI-UHFFFAOYSA-N 1 2 368.433 3.384 20 30 FGEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000535225967 504377360 /nfs/dbraw/zinc/37/73/60/504377360.db2.gz MQHHYCGTCBURGI-UHFFFAOYSA-N 1 2 368.433 3.384 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000542197511 504401477 /nfs/dbraw/zinc/40/14/77/504401477.db2.gz QNLUBPYWLGVMDO-UHFFFAOYSA-N 1 2 360.417 3.422 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3ncc(Cl)c(C)c3C#N)CC2)cc1F ZINC000542279208 504436194 /nfs/dbraw/zinc/43/61/94/504436194.db2.gz OOUZVSARKDQYGA-UHFFFAOYSA-N 1 2 374.847 3.385 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H](C)O1 ZINC000531842082 504443104 /nfs/dbraw/zinc/44/31/04/504443104.db2.gz BCVYUHKYCJIWGD-DOTOQJQBSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H](C)O1 ZINC000531842082 504443109 /nfs/dbraw/zinc/44/31/09/504443109.db2.gz BCVYUHKYCJIWGD-DOTOQJQBSA-N 1 2 363.889 3.394 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000539517416 504595948 /nfs/dbraw/zinc/59/59/48/504595948.db2.gz GSDWJBDKHDSUKB-UHFFFAOYSA-N 1 2 354.373 3.182 20 30 FGEDLO CC[N@H+](CCC#N)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568050 504610803 /nfs/dbraw/zinc/61/08/03/504610803.db2.gz VYHHZFMYRMSVPU-MRXNPFEDSA-N 1 2 353.388 3.432 20 30 FGEDLO CC[N@@H+](CCC#N)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539568050 504610810 /nfs/dbraw/zinc/61/08/10/504610810.db2.gz VYHHZFMYRMSVPU-MRXNPFEDSA-N 1 2 353.388 3.432 20 30 FGEDLO Cc1cccn2c(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)c[nH+]c12 ZINC000542923737 504659378 /nfs/dbraw/zinc/65/93/78/504659378.db2.gz HVEYAQXTNHUYGI-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539850476 504717318 /nfs/dbraw/zinc/71/73/18/504717318.db2.gz PJRXIFJYLYCZHR-NRFANRHFSA-N 1 2 363.461 3.238 20 30 FGEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539850476 504717326 /nfs/dbraw/zinc/71/73/26/504717326.db2.gz PJRXIFJYLYCZHR-NRFANRHFSA-N 1 2 363.461 3.238 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 ZINC000546157447 504729940 /nfs/dbraw/zinc/72/99/40/504729940.db2.gz WWMVLNOBUSUOBK-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC(CC#N)CC3)c2C1 ZINC000546157447 504729946 /nfs/dbraw/zinc/72/99/46/504729946.db2.gz WWMVLNOBUSUOBK-UHFFFAOYSA-N 1 2 362.477 3.379 20 30 FGEDLO Cc1cc(N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000532902553 504772267 /nfs/dbraw/zinc/77/22/67/504772267.db2.gz ASJAIBFQXOLMFG-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479274 504871493 /nfs/dbraw/zinc/87/14/93/504871493.db2.gz BFYIUHKAWXMNRQ-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000559479274 504871496 /nfs/dbraw/zinc/87/14/96/504871496.db2.gz BFYIUHKAWXMNRQ-UHFFFAOYSA-N 1 2 357.417 3.088 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)c1 ZINC000562642132 504890903 /nfs/dbraw/zinc/89/09/03/504890903.db2.gz LUAXHAOTAIZYQG-VGSWGCGISA-N 1 2 367.493 3.374 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2n[nH]cc2Br)c(C(F)(F)F)c1 ZINC000565451707 504890945 /nfs/dbraw/zinc/89/09/45/504890945.db2.gz WOQLLBSOTKJLBT-UHFFFAOYSA-N 1 2 359.149 3.352 20 30 FGEDLO O=C1NCCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1 ZINC000549832715 504910468 /nfs/dbraw/zinc/91/04/68/504910468.db2.gz NOIFBQYPZWARDY-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO O=C1NCCC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1 ZINC000549832715 504910469 /nfs/dbraw/zinc/91/04/69/504910469.db2.gz NOIFBQYPZWARDY-HXUWFJFHSA-N 1 2 352.865 3.125 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000550112819 504968896 /nfs/dbraw/zinc/96/88/96/504968896.db2.gz UWURLCZVBTURNP-DJJJIMSYSA-N 1 2 363.889 3.150 20 30 FGEDLO COc1cc2c(cc1Cl)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000550112819 504968900 /nfs/dbraw/zinc/96/89/00/504968900.db2.gz UWURLCZVBTURNP-DJJJIMSYSA-N 1 2 363.889 3.150 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000562970044 505004317 /nfs/dbraw/zinc/00/43/17/505004317.db2.gz SJXYOUFPPPPYGF-MSOLQXFVSA-N 1 2 355.438 3.017 20 30 FGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000553895793 505036152 /nfs/dbraw/zinc/03/61/52/505036152.db2.gz WNEHFLNMESHZGO-UHFFFAOYSA-N 1 2 362.275 3.401 20 30 FGEDLO C[N@H+](CCC(C)(C)C#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000553895793 505036148 /nfs/dbraw/zinc/03/61/48/505036148.db2.gz WNEHFLNMESHZGO-UHFFFAOYSA-N 1 2 362.275 3.401 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000563220744 505079651 /nfs/dbraw/zinc/07/96/51/505079651.db2.gz UOMUQNONVPHBLF-HNNXBMFYSA-N 1 2 360.310 3.187 20 30 FGEDLO C=CCC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000563241205 505085338 /nfs/dbraw/zinc/08/53/38/505085338.db2.gz UZDXNNXGTBBTAS-MSOLQXFVSA-N 1 2 366.465 3.287 20 30 FGEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554269804 505130088 /nfs/dbraw/zinc/13/00/88/505130088.db2.gz INCLZLILDNFBFA-NSHDSACASA-N 1 2 352.276 3.056 20 30 FGEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000554269804 505130091 /nfs/dbraw/zinc/13/00/91/505130091.db2.gz INCLZLILDNFBFA-NSHDSACASA-N 1 2 352.276 3.056 20 30 FGEDLO C=CCOc1ccc(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cc1 ZINC000563398948 505132746 /nfs/dbraw/zinc/13/27/46/505132746.db2.gz SUOPLCZDAMATMD-OAHLLOKOSA-N 1 2 367.371 3.337 20 30 FGEDLO CC(C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccn21 ZINC000566338272 505148382 /nfs/dbraw/zinc/14/83/82/505148382.db2.gz OGNFFWKNUYPTFH-KRWDZBQOSA-N 1 2 361.449 3.378 20 30 FGEDLO CC(C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccn21 ZINC000566338272 505148383 /nfs/dbraw/zinc/14/83/83/505148383.db2.gz OGNFFWKNUYPTFH-KRWDZBQOSA-N 1 2 361.449 3.378 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000555117522 505354487 /nfs/dbraw/zinc/35/44/87/505354487.db2.gz MPFAETKQQISBSW-QGZVFWFLSA-N 1 2 365.824 3.168 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000555225200 505384251 /nfs/dbraw/zinc/38/42/51/505384251.db2.gz UFXUANWFIZNLEV-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000555336791 505410812 /nfs/dbraw/zinc/41/08/12/505410812.db2.gz HETRIZDAHUHNJE-UHFFFAOYSA-N 1 2 353.378 3.215 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000564537521 505446108 /nfs/dbraw/zinc/44/61/08/505446108.db2.gz XGBRCIKHAVOZIT-OAHLLOKOSA-N 1 2 351.303 3.032 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)c(C(F)(F)F)c1 ZINC000562078745 505511896 /nfs/dbraw/zinc/51/18/96/505511896.db2.gz WFVGBJSJVOURCZ-UHFFFAOYSA-N 1 2 357.339 3.448 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558865959 505515157 /nfs/dbraw/zinc/51/51/57/505515157.db2.gz OCANOUMIQALCBF-JXFKEZNVSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558865959 505515161 /nfs/dbraw/zinc/51/51/61/505515161.db2.gz OCANOUMIQALCBF-JXFKEZNVSA-N 1 2 358.388 3.008 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)s1 ZINC000564815194 505527943 /nfs/dbraw/zinc/52/79/43/505527943.db2.gz JBENOEZMZDKUJT-QGZVFWFLSA-N 1 2 357.504 3.026 20 30 FGEDLO COc1cccc(Oc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)c1 ZINC000567702011 505542041 /nfs/dbraw/zinc/54/20/41/505542041.db2.gz QWNJHUFPGNCZJO-KRWDZBQOSA-N 1 2 355.438 3.106 20 30 FGEDLO COc1cccc(Oc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)c1 ZINC000567702011 505542042 /nfs/dbraw/zinc/54/20/42/505542042.db2.gz QWNJHUFPGNCZJO-KRWDZBQOSA-N 1 2 355.438 3.106 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2(CCC2)CO1 ZINC000593090674 506387045 /nfs/dbraw/zinc/38/70/45/506387045.db2.gz CJIGVGNFASMYQY-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C2(CCC2)CO1 ZINC000593090674 506387051 /nfs/dbraw/zinc/38/70/51/506387051.db2.gz CJIGVGNFASMYQY-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593105565 506396251 /nfs/dbraw/zinc/39/62/51/506396251.db2.gz SDCKFVMYGMFLBQ-INIZCTEOSA-N 1 2 363.889 3.420 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593105565 506396253 /nfs/dbraw/zinc/39/62/53/506396253.db2.gz SDCKFVMYGMFLBQ-INIZCTEOSA-N 1 2 363.889 3.420 20 30 FGEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593116403 506403449 /nfs/dbraw/zinc/40/34/49/506403449.db2.gz LXUACEWKYBYBNQ-OAHLLOKOSA-N 1 2 372.465 3.133 20 30 FGEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593116403 506403457 /nfs/dbraw/zinc/40/34/57/506403457.db2.gz LXUACEWKYBYBNQ-OAHLLOKOSA-N 1 2 372.465 3.133 20 30 FGEDLO Cc1cc(N2CCN(c3ncc(Cl)c(C)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000612069906 506418945 /nfs/dbraw/zinc/41/89/45/506418945.db2.gz QSKVEAKIOGAFJJ-UHFFFAOYSA-N 1 2 370.888 3.464 20 30 FGEDLO N#Cc1cc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)ccn1 ZINC000603140433 506434735 /nfs/dbraw/zinc/43/47/35/506434735.db2.gz UBLNWWLSTXLPHS-UHFFFAOYSA-N 1 2 350.426 3.050 20 30 FGEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000599455441 506464428 /nfs/dbraw/zinc/46/44/28/506464428.db2.gz OKVOZTVJAHWCPS-MRXNPFEDSA-N 1 2 369.318 3.350 20 30 FGEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1 ZINC000599455441 506464431 /nfs/dbraw/zinc/46/44/31/506464431.db2.gz OKVOZTVJAHWCPS-MRXNPFEDSA-N 1 2 369.318 3.350 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C#N ZINC000589272773 506504470 /nfs/dbraw/zinc/50/44/70/506504470.db2.gz VSCPIJCWNCJUDZ-VQTJNVASSA-N 1 2 350.466 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1C#N ZINC000589272773 506504475 /nfs/dbraw/zinc/50/44/75/506504475.db2.gz VSCPIJCWNCJUDZ-VQTJNVASSA-N 1 2 350.466 3.442 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC000612300649 506516762 /nfs/dbraw/zinc/51/67/62/506516762.db2.gz WUUZBGPIWATURK-CBGDNZLLSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678834 506575094 /nfs/dbraw/zinc/57/50/94/506575094.db2.gz YMPPAPYJSLIWBX-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678834 506575099 /nfs/dbraw/zinc/57/50/99/506575099.db2.gz YMPPAPYJSLIWBX-AWEZNQCLSA-N 1 2 364.405 3.046 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000603645307 506585937 /nfs/dbraw/zinc/58/59/37/506585937.db2.gz BATFIAGYGJMGBD-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C)c3cccc(C#N)c3)c2)cc[nH+]1 ZINC000612550086 506620831 /nfs/dbraw/zinc/62/08/31/506620831.db2.gz NWPHXKWNPGKFDG-OAHLLOKOSA-N 1 2 371.444 3.182 20 30 FGEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000593456882 506629495 /nfs/dbraw/zinc/62/94/95/506629495.db2.gz GWXOTPBGEMQYMF-SFHVURJKSA-N 1 2 350.466 3.440 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000583218520 506655658 /nfs/dbraw/zinc/65/56/58/506655658.db2.gz BWQADJTVKBBKDV-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000583218520 506655664 /nfs/dbraw/zinc/65/56/64/506655664.db2.gz BWQADJTVKBBKDV-GFCCVEGCSA-N 1 2 355.467 3.202 20 30 FGEDLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583325808 506718323 /nfs/dbraw/zinc/71/83/23/506718323.db2.gz ZGUAYUYUKJOUTC-RHSMWYFYSA-N 1 2 355.404 3.234 20 30 FGEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000597014856 506732604 /nfs/dbraw/zinc/73/26/04/506732604.db2.gz SPRISRHLQWWAIP-UHFFFAOYSA-N 1 2 354.475 3.277 20 30 FGEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000597014856 506732609 /nfs/dbraw/zinc/73/26/09/506732609.db2.gz SPRISRHLQWWAIP-UHFFFAOYSA-N 1 2 354.475 3.277 20 30 FGEDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583404624 506759566 /nfs/dbraw/zinc/75/95/66/506759566.db2.gz DAKXCVOBTAWYEF-MRXNPFEDSA-N 1 2 368.485 3.260 20 30 FGEDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583404624 506759573 /nfs/dbraw/zinc/75/95/73/506759573.db2.gz DAKXCVOBTAWYEF-MRXNPFEDSA-N 1 2 368.485 3.260 20 30 FGEDLO COc1ccc(C)cc1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271951 506771407 /nfs/dbraw/zinc/77/14/07/506771407.db2.gz XVAUXKLGUABYKR-UHFFFAOYSA-N 1 2 365.477 3.072 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc4ccccc4o3)CC2)cc1 ZINC000604284724 506772679 /nfs/dbraw/zinc/77/26/79/506772679.db2.gz CTMKUARGGZLDAI-UHFFFAOYSA-N 1 2 359.429 3.191 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)c1 ZINC000609204000 506813487 /nfs/dbraw/zinc/81/34/87/506813487.db2.gz HESSYCIAFYBSHK-UHFFFAOYSA-N 1 2 361.405 3.047 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)c1C#N ZINC000590654415 506897422 /nfs/dbraw/zinc/89/74/22/506897422.db2.gz WVVXNYYCLNTPMQ-UHFFFAOYSA-N 1 2 373.869 3.440 20 30 FGEDLO CN(C(=O)C[NH2+][C@@H](Cc1ccccc1)c1ncco1)C1(C#N)CCCCC1 ZINC000594056123 506910516 /nfs/dbraw/zinc/91/05/16/506910516.db2.gz QTGBOVXVHDSXCE-SFHVURJKSA-N 1 2 366.465 3.233 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000590754311 506939000 /nfs/dbraw/zinc/93/90/00/506939000.db2.gz VLSDKXDXQKWQAN-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C)cn2)cc1 ZINC000590754311 506939004 /nfs/dbraw/zinc/93/90/04/506939004.db2.gz VLSDKXDXQKWQAN-UHFFFAOYSA-N 1 2 366.465 3.167 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)cc1 ZINC000609658744 506964131 /nfs/dbraw/zinc/96/41/31/506964131.db2.gz IBMXEHQRSCNZFW-UHFFFAOYSA-N 1 2 363.436 3.073 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000609659786 506964922 /nfs/dbraw/zinc/96/49/22/506964922.db2.gz YCYPXBWBCHBEPR-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO N#Cc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCCCC3)[nH+]c1)C2 ZINC000594216832 507016800 /nfs/dbraw/zinc/01/68/00/507016800.db2.gz YSMJOEHQHLBZBO-UHFFFAOYSA-N 1 2 361.449 3.169 20 30 FGEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1Cl ZINC000597639790 507041435 /nfs/dbraw/zinc/04/14/35/507041435.db2.gz DSRZQXVZTUEDET-UHFFFAOYSA-N 1 2 374.897 3.446 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1C#N ZINC000590959069 507061172 /nfs/dbraw/zinc/06/11/72/507061172.db2.gz AVCSMAWZSQRNGR-YJBOKZPZSA-N 1 2 353.470 3.312 20 30 FGEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000600678643 507062213 /nfs/dbraw/zinc/06/22/13/507062213.db2.gz NWRMQXIUKMQRED-UHFFFAOYSA-N 1 2 372.472 3.317 20 30 FGEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000591136911 507129393 /nfs/dbraw/zinc/12/93/93/507129393.db2.gz PYEAVCXGNQCTGK-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)c1C#N ZINC000584082467 507141664 /nfs/dbraw/zinc/14/16/64/507141664.db2.gz SUHDYSNJZHRLEM-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO N#Cc1cc(F)ccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610278182 507175439 /nfs/dbraw/zinc/17/54/39/507175439.db2.gz IZTAWFNMGRLNMU-IBGZPJMESA-N 1 2 359.832 3.206 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610405990 507228050 /nfs/dbraw/zinc/22/80/50/507228050.db2.gz OHUNACYGBOWDLR-HXUWFJFHSA-N 1 2 373.460 3.417 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)c3cc4ccccc4n3CC#N)[nH+]c12 ZINC000610434736 507238161 /nfs/dbraw/zinc/23/81/61/507238161.db2.gz JNNVCBUMJIXHBI-UHFFFAOYSA-N 1 2 357.417 3.094 20 30 FGEDLO N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000610489948 507259541 /nfs/dbraw/zinc/25/95/41/507259541.db2.gz OPIOAMGCWPGEKI-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000610489948 507259546 /nfs/dbraw/zinc/25/95/46/507259546.db2.gz OPIOAMGCWPGEKI-UHFFFAOYSA-N 1 2 363.446 3.153 20 30 FGEDLO N#Cc1cc(NCc2[nH+]ccn2CCCc2ccccc2)nc(C2CC2)n1 ZINC000601126569 507268714 /nfs/dbraw/zinc/26/87/14/507268714.db2.gz UNFQVTIHPMSHRP-UHFFFAOYSA-N 1 2 358.449 3.089 20 30 FGEDLO N#Cc1cc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)ccc1F ZINC000610719756 507363613 /nfs/dbraw/zinc/36/36/13/507363613.db2.gz GUYYUGFSZNHHAV-FQEVSTJZSA-N 1 2 373.859 3.202 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000610734285 507369703 /nfs/dbraw/zinc/36/97/03/507369703.db2.gz UNMQJJYPKHMRMS-UHFFFAOYSA-N 1 2 372.856 3.278 20 30 FGEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1ccccc1 ZINC000601730874 507442016 /nfs/dbraw/zinc/44/20/16/507442016.db2.gz XDVVWIXFHDQBCS-HXUWFJFHSA-N 1 2 363.461 3.124 20 30 FGEDLO N#Cc1cc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000610991637 507470893 /nfs/dbraw/zinc/47/08/93/507470893.db2.gz USJFTNZXGGBDQD-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000610991637 507470901 /nfs/dbraw/zinc/47/09/01/507470901.db2.gz USJFTNZXGGBDQD-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1CCSCC1 ZINC000611012378 507482420 /nfs/dbraw/zinc/48/24/20/507482420.db2.gz QDAMMHNOYMZACK-AWEZNQCLSA-N 1 2 368.462 3.121 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502318 507532189 /nfs/dbraw/zinc/53/21/89/507532189.db2.gz SCEHLOGLUZGEOO-GDBMZVCRSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502318 507532197 /nfs/dbraw/zinc/53/21/97/507532197.db2.gz SCEHLOGLUZGEOO-GDBMZVCRSA-N 1 2 352.438 3.370 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180632 507550121 /nfs/dbraw/zinc/55/01/21/507550121.db2.gz MWRUDMKCMYARJV-CYBMUJFWSA-N 1 2 351.372 3.192 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088132 507586105 /nfs/dbraw/zinc/58/61/05/507586105.db2.gz KYYZPEGMWYRYAE-INIZCTEOSA-N 1 2 362.355 3.463 20 30 FGEDLO CCOc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000611259711 507588097 /nfs/dbraw/zinc/58/80/97/507588097.db2.gz CZTMIOSEUDWPCR-UHFFFAOYSA-N 1 2 352.438 3.145 20 30 FGEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)ccc1Br ZINC000595614987 507592015 /nfs/dbraw/zinc/59/20/15/507592015.db2.gz NSDNUYRYVWTCLM-CYBMUJFWSA-N 1 2 350.260 3.322 20 30 FGEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)ccc1Br ZINC000595614987 507592019 /nfs/dbraw/zinc/59/20/19/507592019.db2.gz NSDNUYRYVWTCLM-CYBMUJFWSA-N 1 2 350.260 3.322 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000611266679 507592036 /nfs/dbraw/zinc/59/20/36/507592036.db2.gz JNWLPBIDEUSIQK-UHFFFAOYSA-N 1 2 368.444 3.305 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2n[nH]c3ccccc23)CC1 ZINC000611266679 507592044 /nfs/dbraw/zinc/59/20/44/507592044.db2.gz JNWLPBIDEUSIQK-UHFFFAOYSA-N 1 2 368.444 3.305 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602165437 507611769 /nfs/dbraw/zinc/61/17/69/507611769.db2.gz FJZBRTDTGCUFOE-IERDGZPVSA-N 1 2 363.461 3.361 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602165437 507611775 /nfs/dbraw/zinc/61/17/75/507611775.db2.gz FJZBRTDTGCUFOE-IERDGZPVSA-N 1 2 363.461 3.361 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000611370101 507644842 /nfs/dbraw/zinc/64/48/42/507644842.db2.gz IGLFMRSZVIIKLE-UHFFFAOYSA-N 1 2 363.343 3.164 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595715113 507645641 /nfs/dbraw/zinc/64/56/41/507645641.db2.gz RAADSBCWZQTWAE-INIZCTEOSA-N 1 2 363.465 3.456 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000595754539 507667833 /nfs/dbraw/zinc/66/78/33/507667833.db2.gz XLWRWOMRVNUNAH-IBGZPJMESA-N 1 2 367.424 3.159 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000595754539 507667837 /nfs/dbraw/zinc/66/78/37/507667837.db2.gz XLWRWOMRVNUNAH-IBGZPJMESA-N 1 2 367.424 3.159 20 30 FGEDLO Cc1c(Br)cccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611432434 507679485 /nfs/dbraw/zinc/67/94/85/507679485.db2.gz ZXTPFNPCLFHIAF-QGZVFWFLSA-N 1 2 350.304 3.423 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829571 507705128 /nfs/dbraw/zinc/70/51/28/507705128.db2.gz WCUFRHBQNKHVOV-LBPRGKRZSA-N 1 2 358.829 3.406 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840606 507709533 /nfs/dbraw/zinc/70/95/33/507709533.db2.gz PUIDLMQDHVZNQE-HXPMCKFVSA-N 1 2 355.511 3.176 20 30 FGEDLO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@](C)(C#N)C4)nc(N)c32)C1 ZINC000595840606 507709540 /nfs/dbraw/zinc/70/95/40/507709540.db2.gz PUIDLMQDHVZNQE-HXPMCKFVSA-N 1 2 355.511 3.176 20 30 FGEDLO COc1ccc([C@@H](CNCc2cccc(C#N)n2)[NH+]2CCCCC2)cc1 ZINC000602500256 507730137 /nfs/dbraw/zinc/73/01/37/507730137.db2.gz XTQGWMKEXNAVNQ-OAQYLSRUSA-N 1 2 350.466 3.279 20 30 FGEDLO N#Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1F ZINC000611551004 507733803 /nfs/dbraw/zinc/73/38/03/507733803.db2.gz MBKHOHPWYJEQIP-HXUWFJFHSA-N 1 2 352.388 3.219 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917440 507744735 /nfs/dbraw/zinc/74/47/35/507744735.db2.gz MLKBLIWNFVYGCV-BFUOFWGJSA-N 1 2 360.408 3.203 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917440 507744740 /nfs/dbraw/zinc/74/47/40/507744740.db2.gz MLKBLIWNFVYGCV-BFUOFWGJSA-N 1 2 360.408 3.203 20 30 FGEDLO CC(=O)Nc1cc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330350855 568320466 /nfs/dbraw/zinc/32/04/66/568320466.db2.gz LOLFQQPGGJQEBX-QAPCUYQASA-N 1 2 371.441 3.392 20 30 FGEDLO C#CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000121874893 700681648 /nfs/dbraw/zinc/68/16/48/700681648.db2.gz YTQWPSUHFQWDRQ-IRXDYDNUSA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000121874893 700681650 /nfs/dbraw/zinc/68/16/50/700681650.db2.gz YTQWPSUHFQWDRQ-IRXDYDNUSA-N 1 2 351.853 3.327 20 30 FGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(S(C)(=O)=O)c(F)c3)n2c1 ZINC000151430488 704923771 /nfs/dbraw/zinc/92/37/71/704923771.db2.gz INBBUIYJLBFLPP-AATRIKPKSA-N 1 2 358.394 3.081 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000185618658 712698300 /nfs/dbraw/zinc/69/83/00/712698300.db2.gz HPMVZZRWNSHYLF-CVEARBPZSA-N 1 2 356.495 3.313 20 30 FGEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1(C2CCCCC2)CCCCC1 ZINC000329913304 713833423 /nfs/dbraw/zinc/83/34/23/713833423.db2.gz OQYMJDJRKNXZBD-SFHVURJKSA-N 1 2 352.519 3.167 20 30 FGEDLO CCc1nn(C)cc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619431973 714835387 /nfs/dbraw/zinc/83/53/87/714835387.db2.gz IKQDFGSVMHWRQZ-IBGZPJMESA-N 1 2 357.889 3.018 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3cccc(Br)c3)s2)N1 ZINC000779799773 724427735 /nfs/dbraw/zinc/42/77/35/724427735.db2.gz XWIDBZYSCIDLED-JTQLQIEISA-N 1 2 363.284 3.449 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)N1 ZINC000779801648 724428005 /nfs/dbraw/zinc/42/80/05/724428005.db2.gz VOROJNRSHWUDPM-GFCCVEGCSA-N 1 2 358.877 3.094 20 30 FGEDLO FC(F)(F)COc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)nn1 ZINC000653778343 719089845 /nfs/dbraw/zinc/08/98/45/719089845.db2.gz WRRIEANLHDZCQH-UHFFFAOYSA-N 1 2 373.272 3.284 20 30 FGEDLO Fc1ccc(CNC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783822721 724793442 /nfs/dbraw/zinc/79/34/42/724793442.db2.gz WMXNZZJTZSLGAL-UHFFFAOYSA-N 1 2 359.455 3.071 20 30 FGEDLO C=CCOCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000679503624 722031009 /nfs/dbraw/zinc/03/10/09/722031009.db2.gz TUDXLFVBJBLKGN-MRXNPFEDSA-N 1 2 369.868 3.118 20 30 FGEDLO O=S1(=O)CCC(=NNc2cc[nH+]c3ccccc23)c2cc(Cl)ccc21 ZINC000730148105 722465544 /nfs/dbraw/zinc/46/55/44/722465544.db2.gz OFONFVWHYFEALJ-UHFFFAOYSA-N 1 2 371.849 3.304 20 30 FGEDLO C=CCNC(=S)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740616679 722536727 /nfs/dbraw/zinc/53/67/27/722536727.db2.gz QZDJWFXSYQMHEC-UHFFFAOYSA-N 1 2 361.559 3.260 20 30 FGEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741244345 722543721 /nfs/dbraw/zinc/54/37/21/722543721.db2.gz UZXGZSXVMQNJEF-SWLSCSKDSA-N 1 2 362.886 3.370 20 30 FGEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741244345 722543722 /nfs/dbraw/zinc/54/37/22/722543722.db2.gz UZXGZSXVMQNJEF-SWLSCSKDSA-N 1 2 362.886 3.370 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741446827 722546043 /nfs/dbraw/zinc/54/60/43/722546043.db2.gz BSLICHUYVNBDQA-GFCCVEGCSA-N 1 2 356.451 3.345 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741446827 722546044 /nfs/dbraw/zinc/54/60/44/722546044.db2.gz BSLICHUYVNBDQA-GFCCVEGCSA-N 1 2 356.451 3.345 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000742381873 722556711 /nfs/dbraw/zinc/55/67/11/722556711.db2.gz POEOVULHCFWLMH-UHFFFAOYSA-N 1 2 351.284 3.497 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)c3ccccc3SCC#N)[nH+]c12 ZINC000746639701 722612094 /nfs/dbraw/zinc/61/20/94/722612094.db2.gz IBPCHVAOIAIQDW-UHFFFAOYSA-N 1 2 350.447 3.231 20 30 FGEDLO Brc1cncc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000758122262 722984725 /nfs/dbraw/zinc/98/47/25/722984725.db2.gz ITBNMZNSPPUVQT-UHFFFAOYSA-N 1 2 361.243 3.127 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1=O ZINC000758240720 722986836 /nfs/dbraw/zinc/98/68/36/722986836.db2.gz IADHNGWZYHRYJP-HNNXBMFYSA-N 1 2 357.841 3.122 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1=O ZINC000758240720 722986837 /nfs/dbraw/zinc/98/68/37/722986837.db2.gz IADHNGWZYHRYJP-HNNXBMFYSA-N 1 2 357.841 3.122 20 30 FGEDLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(F)C(F)(F)F ZINC000764457595 723415342 /nfs/dbraw/zinc/41/53/42/723415342.db2.gz QICPTRRTNURZSZ-LBPRGKRZSA-N 1 2 374.300 3.496 20 30 FGEDLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](F)C(F)(F)F ZINC000764457595 723415344 /nfs/dbraw/zinc/41/53/44/723415344.db2.gz QICPTRRTNURZSZ-LBPRGKRZSA-N 1 2 374.300 3.496 20 30 FGEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)[C@@H](C#N)C1 ZINC000765826549 723543026 /nfs/dbraw/zinc/54/30/26/723543026.db2.gz ZAQMTVUMAODLFL-GJZGRUSLSA-N 1 2 351.397 3.473 20 30 FGEDLO C#CC[N@@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccccc1 ZINC000796631732 723647717 /nfs/dbraw/zinc/64/77/17/723647717.db2.gz HKIGRDKOTWKHHL-UHFFFAOYSA-N 1 2 356.853 3.100 20 30 FGEDLO C#CC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccccc1 ZINC000796631732 723647718 /nfs/dbraw/zinc/64/77/18/723647718.db2.gz HKIGRDKOTWKHHL-UHFFFAOYSA-N 1 2 356.853 3.100 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2c(F)cccc2Br)cc1 ZINC000771655278 723739586 /nfs/dbraw/zinc/73/95/86/723739586.db2.gz VOQCPWHRJYJNHL-UHFFFAOYSA-N 1 2 353.191 3.434 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCCO1 ZINC000775340891 723983692 /nfs/dbraw/zinc/98/36/92/723983692.db2.gz JGXMGSFYELCTGO-GDBMZVCRSA-N 1 2 360.255 3.110 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)[C@H]1CCCO1 ZINC000775784898 724061777 /nfs/dbraw/zinc/06/17/77/724061777.db2.gz LXYGSOMUBYGSOS-JKSUJKDBSA-N 1 2 358.463 3.098 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000801071332 724267498 /nfs/dbraw/zinc/26/74/98/724267498.db2.gz CUQNIRFNCVHHLO-OAHLLOKOSA-N 1 2 357.845 3.034 20 30 FGEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000805828535 725098911 /nfs/dbraw/zinc/09/89/11/725098911.db2.gz KJQWOEKBYIUWIW-CQSZACIVSA-N 1 2 366.259 3.031 20 30 FGEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000805828535 725098914 /nfs/dbraw/zinc/09/89/14/725098914.db2.gz KJQWOEKBYIUWIW-CQSZACIVSA-N 1 2 366.259 3.031 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(Br)c2)n1 ZINC000789329082 725122454 /nfs/dbraw/zinc/12/24/54/725122454.db2.gz JJJJLRHJYOMNFL-UHFFFAOYSA-N 1 2 362.271 3.310 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(Br)c2)n1 ZINC000789329082 725122455 /nfs/dbraw/zinc/12/24/55/725122455.db2.gz JJJJLRHJYOMNFL-UHFFFAOYSA-N 1 2 362.271 3.310 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807193423 725156298 /nfs/dbraw/zinc/15/62/98/725156298.db2.gz XBNUKSSFFHQGBA-RBUKOAKNSA-N 1 2 360.860 3.393 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807193423 725156300 /nfs/dbraw/zinc/15/63/00/725156300.db2.gz XBNUKSSFFHQGBA-RBUKOAKNSA-N 1 2 360.860 3.393 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000810146756 725292847 /nfs/dbraw/zinc/29/28/47/725292847.db2.gz WICVRDRBWXQOTI-UHFFFAOYSA-N 1 2 359.202 3.397 20 30 FGEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000812934680 726823943 /nfs/dbraw/zinc/82/39/43/726823943.db2.gz MXXMJCXEJWMSQJ-SFHVURJKSA-N 1 2 357.454 3.089 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000824866813 729362910 /nfs/dbraw/zinc/36/29/10/729362910.db2.gz ICAVWOPDOKHUNQ-CYBMUJFWSA-N 1 2 365.271 3.331 20 30 FGEDLO NC(=[NH+]OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000836842198 729971984 /nfs/dbraw/zinc/97/19/84/729971984.db2.gz GPARZCUDHDUYEX-UHFFFAOYSA-N 1 2 350.777 3.478 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000840734104 730167377 /nfs/dbraw/zinc/16/73/77/730167377.db2.gz CZKHTZUVHUQLPL-CQSZACIVSA-N 1 2 351.472 3.248 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000840734104 730167378 /nfs/dbraw/zinc/16/73/78/730167378.db2.gz CZKHTZUVHUQLPL-CQSZACIVSA-N 1 2 351.472 3.248 20 30 FGEDLO Cc1nn(-c2ccccc2Cl)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000848406833 731161374 /nfs/dbraw/zinc/16/13/74/731161374.db2.gz IYDHEKOOHUYKAS-HOTGVXAUSA-N 1 2 356.861 3.028 20 30 FGEDLO C[C@@H](OCc1ccccc1)C(=NNCCCn1cc[nH+]c1)C(F)(F)F ZINC000848416961 731162106 /nfs/dbraw/zinc/16/21/06/731162106.db2.gz FVDFDGINLBKJCQ-CQSZACIVSA-N 1 2 354.376 3.386 20 30 FGEDLO C/C(=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000856717482 732043643 /nfs/dbraw/zinc/04/36/43/732043643.db2.gz ICTHAYBABXXPFJ-DTQAZKPQSA-N 1 2 351.475 3.367 20 30 FGEDLO N#Cc1c(Cl)nsc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866090245 733310994 /nfs/dbraw/zinc/31/09/94/733310994.db2.gz QGXNJMJEWPYYCV-UHFFFAOYSA-N 1 2 351.888 3.228 20 30 FGEDLO C=CCC[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccco1 ZINC000866631072 733378094 /nfs/dbraw/zinc/37/80/94/733378094.db2.gz DHQGNNRMPZLBMZ-GFCCVEGCSA-N 1 2 371.222 3.415 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3cccc(Br)c3C2)CCC1 ZINC000886271176 739237595 /nfs/dbraw/zinc/23/75/95/739237595.db2.gz ZLYBJVFIZMRNDD-CYBMUJFWSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3cccc(Br)c3C2)CCC1 ZINC000886271176 739237601 /nfs/dbraw/zinc/23/76/01/739237601.db2.gz ZLYBJVFIZMRNDD-CYBMUJFWSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)CCC1 ZINC000886287516 739240390 /nfs/dbraw/zinc/24/03/90/739240390.db2.gz SVAIKNFPCJOXNP-OAHLLOKOSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)CCC1 ZINC000886287516 739240396 /nfs/dbraw/zinc/24/03/96/739240396.db2.gz SVAIKNFPCJOXNP-OAHLLOKOSA-N 1 2 365.271 3.088 20 30 FGEDLO CSc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000890452969 739801398 /nfs/dbraw/zinc/80/13/98/739801398.db2.gz YEGBAOGBWRUOAW-CQSZACIVSA-N 1 2 355.467 3.092 20 30 FGEDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1O ZINC000897596904 742694108 /nfs/dbraw/zinc/69/41/08/742694108.db2.gz WMRCNQJBVRLSIC-GOSISDBHSA-N 1 2 358.825 3.499 20 30 FGEDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1O ZINC000897596904 742694117 /nfs/dbraw/zinc/69/41/17/742694117.db2.gz WMRCNQJBVRLSIC-GOSISDBHSA-N 1 2 358.825 3.499 20 30 FGEDLO COc1sc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1Br ZINC000897602763 742694306 /nfs/dbraw/zinc/69/43/06/742694306.db2.gz VFVGOAGKJKOUIU-UHFFFAOYSA-N 1 2 372.284 3.357 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924768989 759384876 /nfs/dbraw/zinc/38/48/76/759384876.db2.gz VMLKYRLIKYRBBO-UHFFFAOYSA-N 1 2 358.511 3.145 20 30 FGEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650240 761445667 /nfs/dbraw/zinc/44/56/67/761445667.db2.gz OMQIECYSIGLSJB-CQSZACIVSA-N 1 2 362.857 3.313 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)C1 ZINC000933654342 761447620 /nfs/dbraw/zinc/44/76/20/761447620.db2.gz SPLVTINOSYOSEM-UHFFFAOYSA-N 1 2 359.813 3.228 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000970392892 762874444 /nfs/dbraw/zinc/87/44/44/762874444.db2.gz GBOZRBVYMZMWEO-MRVWCRGKSA-N 1 2 354.828 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC000970447431 762874759 /nfs/dbraw/zinc/87/47/59/762874759.db2.gz QGABEBFNLHENHA-WRSAYESZSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000997308508 765054297 /nfs/dbraw/zinc/05/42/97/765054297.db2.gz FYYAYENJGGEDIH-IXWVBKGCSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001008472910 765667528 /nfs/dbraw/zinc/66/75/28/765667528.db2.gz HCDDUEVOJUJJBB-BFHYXJOUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001008472910 765667535 /nfs/dbraw/zinc/66/75/35/765667535.db2.gz HCDDUEVOJUJJBB-BFHYXJOUSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001008557224 765674711 /nfs/dbraw/zinc/67/47/11/765674711.db2.gz BGMIRCAZOKWCKT-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001008557224 765674715 /nfs/dbraw/zinc/67/47/15/765674715.db2.gz BGMIRCAZOKWCKT-UXLLHSPISA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001008557531 765674798 /nfs/dbraw/zinc/67/47/98/765674798.db2.gz DSCZUHOKFRVJNG-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001008557531 765674804 /nfs/dbraw/zinc/67/48/04/765674804.db2.gz DSCZUHOKFRVJNG-DAYGRLMNSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001008558656 765675956 /nfs/dbraw/zinc/67/59/56/765675956.db2.gz LDMUUNZTBYEBCF-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001008558656 765675960 /nfs/dbraw/zinc/67/59/60/765675960.db2.gz LDMUUNZTBYEBCF-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001015826822 765810915 /nfs/dbraw/zinc/81/09/15/765810915.db2.gz JLYJZQCBHFAYPN-OTWHNJEPSA-N 1 2 362.901 3.406 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001015826822 765810927 /nfs/dbraw/zinc/81/09/27/765810927.db2.gz JLYJZQCBHFAYPN-OTWHNJEPSA-N 1 2 362.901 3.406 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001015828333 765811261 /nfs/dbraw/zinc/81/12/61/765811261.db2.gz DSWBRZUEAQGROW-GLJUWKHASA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001015828333 765811265 /nfs/dbraw/zinc/81/12/65/765811265.db2.gz DSWBRZUEAQGROW-GLJUWKHASA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001024443648 766052528 /nfs/dbraw/zinc/05/25/28/766052528.db2.gz OCQDRWOGFCLZRH-KFWWJZLASA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001024443648 766052536 /nfs/dbraw/zinc/05/25/36/766052536.db2.gz OCQDRWOGFCLZRH-KFWWJZLASA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001028142362 766112324 /nfs/dbraw/zinc/11/23/24/766112324.db2.gz KCBHCDDAWSGDFA-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001028142362 766112331 /nfs/dbraw/zinc/11/23/31/766112331.db2.gz KCBHCDDAWSGDFA-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029389466 766146383 /nfs/dbraw/zinc/14/63/83/766146383.db2.gz MOEDTRVAMJYQOP-LTCOOKNTSA-N 1 2 357.523 3.477 20 30 FGEDLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029389466 766146389 /nfs/dbraw/zinc/14/63/89/766146389.db2.gz MOEDTRVAMJYQOP-LTCOOKNTSA-N 1 2 357.523 3.477 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001031990066 766190023 /nfs/dbraw/zinc/19/00/23/766190023.db2.gz NBRFFPVXSBWXGY-DWQUBVKVSA-N 1 2 366.864 3.179 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1Cl ZINC001038267318 766270354 /nfs/dbraw/zinc/27/03/54/766270354.db2.gz RYBUJTRYPBCJOX-SCTDSRPQSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001038267318 766270358 /nfs/dbraw/zinc/27/03/58/766270358.db2.gz RYBUJTRYPBCJOX-SCTDSRPQSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001046629229 766596382 /nfs/dbraw/zinc/59/63/82/766596382.db2.gz ALLTYBTVSNQDHO-FMEYXAORSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001046629229 766596389 /nfs/dbraw/zinc/59/63/89/766596389.db2.gz ALLTYBTVSNQDHO-FMEYXAORSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046941691 766608936 /nfs/dbraw/zinc/60/89/36/766608936.db2.gz OFJLWXGKPSSHPQ-OWCLPIDISA-N 1 2 369.843 3.011 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046941691 766608940 /nfs/dbraw/zinc/60/89/40/766608940.db2.gz OFJLWXGKPSSHPQ-OWCLPIDISA-N 1 2 369.843 3.011 20 30 FGEDLO Cc1nc(C)c(C#N)c(SCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000570831890 505591309 /nfs/dbraw/zinc/59/13/09/505591309.db2.gz JUFXQTSRNJNWTG-UHFFFAOYSA-N 1 2 354.479 3.090 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000580121129 505681653 /nfs/dbraw/zinc/68/16/53/505681653.db2.gz QTZMMKYEWFBTOF-GOSISDBHSA-N 1 2 373.453 3.093 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000580121129 505681657 /nfs/dbraw/zinc/68/16/57/505681657.db2.gz QTZMMKYEWFBTOF-GOSISDBHSA-N 1 2 373.453 3.093 20 30 FGEDLO CC[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000057861011 493809121 /nfs/dbraw/zinc/80/91/21/493809121.db2.gz RKBCMUQMZCIOGX-FQEVSTJZSA-N 1 2 369.490 3.016 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081018925 493814507 /nfs/dbraw/zinc/81/45/07/493814507.db2.gz FYHJEPXMCJNMEA-CQSZACIVSA-N 1 2 356.857 3.069 20 30 FGEDLO CC[NH+](CC)CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000076205076 493844569 /nfs/dbraw/zinc/84/45/69/493844569.db2.gz OSIODFCOIMUDKG-UHFFFAOYSA-N 1 2 352.236 3.164 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000081517305 493909203 /nfs/dbraw/zinc/90/92/03/493909203.db2.gz GGJQSVREJFJLSK-UHFFFAOYSA-N 1 2 354.431 3.210 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000081517305 493909207 /nfs/dbraw/zinc/90/92/07/493909207.db2.gz GGJQSVREJFJLSK-UHFFFAOYSA-N 1 2 354.431 3.210 20 30 FGEDLO N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1 ZINC000051781180 493986847 /nfs/dbraw/zinc/98/68/47/493986847.db2.gz WTWKDCDULJPCAE-UHFFFAOYSA-N 1 2 372.384 3.000 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000052031487 494000251 /nfs/dbraw/zinc/00/02/51/494000251.db2.gz PUHBNUMSEFHBBK-KBPBESRZSA-N 1 2 355.463 3.481 20 30 FGEDLO Cc1cccc([C@@H](CNc2snc(Cl)c2C#N)[NH+]2CCOCC2)c1 ZINC000052044480 494001914 /nfs/dbraw/zinc/00/19/14/494001914.db2.gz KMCAMTVOXNSDSS-OAHLLOKOSA-N 1 2 362.886 3.462 20 30 FGEDLO CCCCc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000077040259 494012451 /nfs/dbraw/zinc/01/24/51/494012451.db2.gz OYIXPMUOQOFWKH-UHFFFAOYSA-N 1 2 355.482 3.096 20 30 FGEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2c(C)cccc2C(C)C)cs1 ZINC000063456887 494055917 /nfs/dbraw/zinc/05/59/17/494055917.db2.gz SQUGRDLNCQENKC-UHFFFAOYSA-N 1 2 360.483 3.353 20 30 FGEDLO N#Cc1cc(F)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000063508454 494061284 /nfs/dbraw/zinc/06/12/84/494061284.db2.gz XZQYIZRMAVZLHX-UHFFFAOYSA-N 1 2 370.403 3.351 20 30 FGEDLO Cc1nc(C2([NH2+]CC(=O)N(C)C3(C#N)CCCCC3)CCCCCC2)no1 ZINC000063512239 494061615 /nfs/dbraw/zinc/06/16/15/494061615.db2.gz SRYBLOZANSAAOB-UHFFFAOYSA-N 1 2 373.501 3.202 20 30 FGEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000041497550 494165648 /nfs/dbraw/zinc/16/56/48/494165648.db2.gz HNPIKSYAYDPLDJ-CYBMUJFWSA-N 1 2 372.344 3.147 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(C#N)c1C ZINC000072760845 494245381 /nfs/dbraw/zinc/24/53/81/494245381.db2.gz XUCHWBHYJKWJTB-GOSISDBHSA-N 1 2 367.449 3.245 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(C#N)c1C ZINC000072760845 494245385 /nfs/dbraw/zinc/24/53/85/494245385.db2.gz XUCHWBHYJKWJTB-GOSISDBHSA-N 1 2 367.449 3.245 20 30 FGEDLO CC[C@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072802540 494254627 /nfs/dbraw/zinc/25/46/27/494254627.db2.gz VJKZZBYXAOZKAA-MGPUTAFESA-N 1 2 352.438 3.024 20 30 FGEDLO CC[C@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072802540 494254630 /nfs/dbraw/zinc/25/46/30/494254630.db2.gz VJKZZBYXAOZKAA-MGPUTAFESA-N 1 2 352.438 3.024 20 30 FGEDLO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000072898061 494278537 /nfs/dbraw/zinc/27/85/37/494278537.db2.gz MMNSKOGMBOZZSD-ZWKOTPCHSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1csc2nc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc(=O)n12 ZINC000072898061 494278538 /nfs/dbraw/zinc/27/85/38/494278538.db2.gz MMNSKOGMBOZZSD-ZWKOTPCHSA-N 1 2 364.474 3.336 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000043325263 494287592 /nfs/dbraw/zinc/28/75/92/494287592.db2.gz RUCPOAVRCQDXCI-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nc1 ZINC000014305681 494314641 /nfs/dbraw/zinc/31/46/41/494314641.db2.gz DNEHMNRZGFBDJD-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](Cc1cccs1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073682870 494413356 /nfs/dbraw/zinc/41/33/56/494413356.db2.gz UONRYIDOWGTLTG-INIZCTEOSA-N 1 2 368.506 3.078 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1cccs1 ZINC000019540545 494448948 /nfs/dbraw/zinc/44/89/48/494448948.db2.gz PIRGXTGGSXJCQM-UHFFFAOYSA-N 1 2 358.463 3.470 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)Cc1cccs1 ZINC000019540545 494448950 /nfs/dbraw/zinc/44/89/50/494448950.db2.gz PIRGXTGGSXJCQM-UHFFFAOYSA-N 1 2 358.463 3.470 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105868 494495543 /nfs/dbraw/zinc/49/55/43/494495543.db2.gz CGAMHILWDNPEET-UHFFFAOYSA-N 1 2 362.437 3.171 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000046518929 494535219 /nfs/dbraw/zinc/53/52/19/494535219.db2.gz DVTPRRNXYRBELX-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000046518929 494535222 /nfs/dbraw/zinc/53/52/22/494535222.db2.gz DVTPRRNXYRBELX-UHFFFAOYSA-N 1 2 358.239 3.391 20 30 FGEDLO Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056842211 494574996 /nfs/dbraw/zinc/57/49/96/494574996.db2.gz BYJVENTVSIEIRY-JOCHJYFZSA-N 1 2 374.488 3.381 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)ccc1F ZINC000121072338 494581700 /nfs/dbraw/zinc/58/17/00/494581700.db2.gz ZRLLBDNPTIRKBC-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)ccc1F ZINC000121072338 494581707 /nfs/dbraw/zinc/58/17/07/494581707.db2.gz ZRLLBDNPTIRKBC-UHFFFAOYSA-N 1 2 373.378 3.324 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4o3)cnc12 ZINC000580312253 505730330 /nfs/dbraw/zinc/73/03/30/505730330.db2.gz BTOMVYFMBSXNCY-QGZVFWFLSA-N 1 2 358.405 3.469 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4o3)cnc12 ZINC000580312253 505730334 /nfs/dbraw/zinc/73/03/34/505730334.db2.gz BTOMVYFMBSXNCY-QGZVFWFLSA-N 1 2 358.405 3.469 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)c1c(F)cccc1F ZINC000115751815 494609689 /nfs/dbraw/zinc/60/96/89/494609689.db2.gz SKFFUWZBRBJHQF-KRWDZBQOSA-N 1 2 358.392 3.455 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000075006346 494672173 /nfs/dbraw/zinc/67/21/73/494672173.db2.gz KZLVIPSYXTWCSU-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000075006346 494672178 /nfs/dbraw/zinc/67/21/78/494672178.db2.gz KZLVIPSYXTWCSU-HNNXBMFYSA-N 1 2 358.442 3.186 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121415135 494745541 /nfs/dbraw/zinc/74/55/41/494745541.db2.gz PVQUSYIVEXWSIH-FQEVSTJZSA-N 1 2 365.433 3.182 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3cccc(C#N)c3)cn2c1 ZINC000126517793 494778245 /nfs/dbraw/zinc/77/82/45/494778245.db2.gz HUMQYMXXRDQUKN-UHFFFAOYSA-N 1 2 350.447 3.411 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000126914653 494861302 /nfs/dbraw/zinc/86/13/02/494861302.db2.gz WHDFTVKPEOAGLT-UHFFFAOYSA-N 1 2 355.511 3.183 20 30 FGEDLO CN(C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)C1(C#N)CCCCC1 ZINC000027539759 494871924 /nfs/dbraw/zinc/87/19/24/494871924.db2.gz WDTLQXGDCNYDSS-NRFANRHFSA-N 1 2 362.477 3.445 20 30 FGEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)Cc2cccc(F)c2)cc1 ZINC000132438969 494874223 /nfs/dbraw/zinc/87/42/23/494874223.db2.gz TZDNYULUAPXVML-UHFFFAOYSA-N 1 2 351.425 3.322 20 30 FGEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)Cc2cccc(F)c2)cc1 ZINC000132438969 494874227 /nfs/dbraw/zinc/87/42/27/494874227.db2.gz TZDNYULUAPXVML-UHFFFAOYSA-N 1 2 351.425 3.322 20 30 FGEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000117076663 494890010 /nfs/dbraw/zinc/89/00/10/494890010.db2.gz HNVWINOGPYVGDH-OAHLLOKOSA-N 1 2 362.433 3.329 20 30 FGEDLO COC(=O)[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000093920652 494934726 /nfs/dbraw/zinc/93/47/26/494934726.db2.gz QDNVYMMTYHCYGF-VJFUWPCTSA-N 1 2 372.465 3.262 20 30 FGEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117599211 494935399 /nfs/dbraw/zinc/93/53/99/494935399.db2.gz YFUMAOFYYDJBNL-UHFFFAOYSA-N 1 2 360.417 3.033 20 30 FGEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4ccccc4Cl)CC3)n2c1 ZINC000127509935 494955029 /nfs/dbraw/zinc/95/50/29/494955029.db2.gz JJVBNYASSNKNGR-UHFFFAOYSA-N 1 2 365.868 3.177 20 30 FGEDLO COc1ccccc1C[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000128256620 495069051 /nfs/dbraw/zinc/06/90/51/495069051.db2.gz CBPCCDGMEDDUME-UHFFFAOYSA-N 1 2 353.422 3.380 20 30 FGEDLO COc1ccccc1C[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000128256620 495069053 /nfs/dbraw/zinc/06/90/53/495069053.db2.gz CBPCCDGMEDDUME-UHFFFAOYSA-N 1 2 353.422 3.380 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111769921 495109741 /nfs/dbraw/zinc/10/97/41/495109741.db2.gz GRPURUDJAIWVEA-UHFFFAOYSA-N 1 2 371.444 3.264 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000102846455 495166327 /nfs/dbraw/zinc/16/63/27/495166327.db2.gz IROPMJJFTXAGAD-KRWDZBQOSA-N 1 2 367.453 3.026 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000102846455 495166328 /nfs/dbraw/zinc/16/63/28/495166328.db2.gz IROPMJJFTXAGAD-KRWDZBQOSA-N 1 2 367.453 3.026 20 30 FGEDLO CCCC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000119498180 495178101 /nfs/dbraw/zinc/17/81/01/495178101.db2.gz LQDXRFAKBGIIJS-KRWDZBQOSA-N 1 2 373.478 3.002 20 30 FGEDLO CCCC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000119498180 495178106 /nfs/dbraw/zinc/17/81/06/495178106.db2.gz LQDXRFAKBGIIJS-KRWDZBQOSA-N 1 2 373.478 3.002 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(COc3ccccc3)CC2)c(C#N)c1C ZINC000112698308 495224806 /nfs/dbraw/zinc/22/48/06/495224806.db2.gz ARUNIVXQJGUGDC-UHFFFAOYSA-N 1 2 367.449 3.498 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467983 495236894 /nfs/dbraw/zinc/23/68/94/495236894.db2.gz NHVIFMWNYFHYQD-UHFFFAOYSA-N 1 2 368.506 3.012 20 30 FGEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000574423852 505769483 /nfs/dbraw/zinc/76/94/83/505769483.db2.gz VVQRQPHYYWUMSB-UHFFFAOYSA-N 1 2 360.255 3.232 20 30 FGEDLO COc1ccc(C[N@@H+](CC#Cc2ccccc2Cl)CCO)c(OC)c1 ZINC000135071016 495247178 /nfs/dbraw/zinc/24/71/78/495247178.db2.gz PXVGDZWYNMTIAM-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(C[N@H+](CC#Cc2ccccc2Cl)CCO)c(OC)c1 ZINC000135071016 495247181 /nfs/dbraw/zinc/24/71/81/495247181.db2.gz PXVGDZWYNMTIAM-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)CC#Cc2ccccc2Cl)cc(OC)c1 ZINC000135207550 495262913 /nfs/dbraw/zinc/26/29/13/495262913.db2.gz XSQRMCXCTNQKRG-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)CC#Cc2ccccc2Cl)cc(OC)c1 ZINC000135207550 495262917 /nfs/dbraw/zinc/26/29/17/495262917.db2.gz XSQRMCXCTNQKRG-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000119952375 495276460 /nfs/dbraw/zinc/27/64/60/495276460.db2.gz QNKXUZYVMAEUST-UHFFFAOYSA-N 1 2 372.384 3.000 20 30 FGEDLO CC#CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000135337525 495279351 /nfs/dbraw/zinc/27/93/51/495279351.db2.gz WOJHUDWRHANGPO-UHFFFAOYSA-N 1 2 358.445 3.421 20 30 FGEDLO N#C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000113176838 495280432 /nfs/dbraw/zinc/28/04/32/495280432.db2.gz RRWRWHCZITZGOO-LJQANCHMSA-N 1 2 369.852 3.167 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677630 495296100 /nfs/dbraw/zinc/29/61/00/495296100.db2.gz SCLAOPMJRSINRC-ZDUSSCGKSA-N 1 2 357.376 3.215 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677630 495296103 /nfs/dbraw/zinc/29/61/03/495296103.db2.gz SCLAOPMJRSINRC-ZDUSSCGKSA-N 1 2 357.376 3.215 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120155100 495317689 /nfs/dbraw/zinc/31/76/89/495317689.db2.gz NMIMNCYQNURNSD-OAHLLOKOSA-N 1 2 361.854 3.365 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120155100 495317694 /nfs/dbraw/zinc/31/76/94/495317694.db2.gz NMIMNCYQNURNSD-OAHLLOKOSA-N 1 2 361.854 3.365 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000580514604 505775844 /nfs/dbraw/zinc/77/58/44/505775844.db2.gz XUGVSNMSYIKVDD-QFBILLFUSA-N 1 2 373.497 3.077 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000580514604 505775848 /nfs/dbraw/zinc/77/58/48/505775848.db2.gz XUGVSNMSYIKVDD-QFBILLFUSA-N 1 2 373.497 3.077 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000120314913 495350284 /nfs/dbraw/zinc/35/02/84/495350284.db2.gz YUKWCNBLPOULIO-INIZCTEOSA-N 1 2 369.465 3.088 20 30 FGEDLO C=CC1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000125061540 495384832 /nfs/dbraw/zinc/38/48/32/495384832.db2.gz CABGYQSNBRDJQX-UHFFFAOYSA-N 1 2 351.406 3.237 20 30 FGEDLO CC(C)Oc1cccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000120586187 495410812 /nfs/dbraw/zinc/41/08/12/495410812.db2.gz PUHJZLBQPPPDEU-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO CC(C)Oc1cccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000120586187 495410816 /nfs/dbraw/zinc/41/08/16/495410816.db2.gz PUHJZLBQPPPDEU-UHFFFAOYSA-N 1 2 372.490 3.251 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000130991817 495476190 /nfs/dbraw/zinc/47/61/90/495476190.db2.gz LREYHAKTIWBBDB-UHFFFAOYSA-N 1 2 357.461 3.125 20 30 FGEDLO CC(=O)c1csc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000106733912 495490401 /nfs/dbraw/zinc/49/04/01/495490401.db2.gz ZPQMFBRPVRRFBE-UHFFFAOYSA-N 1 2 367.474 3.170 20 30 FGEDLO CC(=O)c1csc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000106733912 495490403 /nfs/dbraw/zinc/49/04/03/495490403.db2.gz ZPQMFBRPVRRFBE-UHFFFAOYSA-N 1 2 367.474 3.170 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000131128981 495496482 /nfs/dbraw/zinc/49/64/82/495496482.db2.gz AARJHACXWBJTDO-MRXNPFEDSA-N 1 2 357.410 3.283 20 30 FGEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000131128981 495496487 /nfs/dbraw/zinc/49/64/87/495496487.db2.gz AARJHACXWBJTDO-MRXNPFEDSA-N 1 2 357.410 3.283 20 30 FGEDLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)s1 ZINC000159043231 495643659 /nfs/dbraw/zinc/64/36/59/495643659.db2.gz KNEWSGCNQUKRPJ-UHFFFAOYSA-N 1 2 357.454 3.462 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000154666050 495689141 /nfs/dbraw/zinc/68/91/41/495689141.db2.gz PHILXBYTMCLBQU-RTBURBONSA-N 1 2 354.454 3.004 20 30 FGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)n1 ZINC000173858817 495722320 /nfs/dbraw/zinc/72/23/20/495722320.db2.gz XIFFVLZWQDOWRM-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1ccc(-c2nnc(Cn3nc(C(F)(F)F)c4c[nH+]ccc43)o2)cc1 ZINC000179929086 495787955 /nfs/dbraw/zinc/78/79/55/495787955.db2.gz DPRCRHUMHAIHPW-UHFFFAOYSA-N 1 2 370.294 3.420 20 30 FGEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2nccn2C)c1 ZINC000176945557 495852217 /nfs/dbraw/zinc/85/22/17/495852217.db2.gz SWXZNGMDHOUXBO-GOSISDBHSA-N 1 2 368.462 3.250 20 30 FGEDLO C[C@H](C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CS(C)(=O)=O ZINC000176970307 495863475 /nfs/dbraw/zinc/86/34/75/495863475.db2.gz LAUVATUCSMQACG-MRXNPFEDSA-N 1 2 374.481 3.380 20 30 FGEDLO C[C@H](C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CS(C)(=O)=O ZINC000176970307 495863480 /nfs/dbraw/zinc/86/34/80/495863480.db2.gz LAUVATUCSMQACG-MRXNPFEDSA-N 1 2 374.481 3.380 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OC3CCCC3)CC2)C1=O ZINC000177031529 495891487 /nfs/dbraw/zinc/89/14/87/495891487.db2.gz JCWGYDIVWZLGIQ-KRWDZBQOSA-N 1 2 359.495 3.149 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000171484750 495897094 /nfs/dbraw/zinc/89/70/94/495897094.db2.gz IHWNMJFSYGYTEK-UHFFFAOYSA-N 1 2 367.359 3.022 20 30 FGEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000180495067 496020749 /nfs/dbraw/zinc/02/07/49/496020749.db2.gz ATJCRYJCZZMSFI-QGZVFWFLSA-N 1 2 359.351 3.213 20 30 FGEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000180495067 496020752 /nfs/dbraw/zinc/02/07/52/496020752.db2.gz ATJCRYJCZZMSFI-QGZVFWFLSA-N 1 2 359.351 3.213 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ccc(C#N)nn2)cc1 ZINC000160700796 496023214 /nfs/dbraw/zinc/02/32/14/496023214.db2.gz LAUYXOMDKWUALX-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c(C#N)c1C ZINC000180503158 496023737 /nfs/dbraw/zinc/02/37/37/496023737.db2.gz ODYJVFQAHYDKPY-UHFFFAOYSA-N 1 2 351.328 3.256 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c(C#N)c1C ZINC000180503158 496023741 /nfs/dbraw/zinc/02/37/41/496023741.db2.gz ODYJVFQAHYDKPY-UHFFFAOYSA-N 1 2 351.328 3.256 20 30 FGEDLO C=CCCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000152037307 496029684 /nfs/dbraw/zinc/02/96/84/496029684.db2.gz GDMXSIXCOHCPRB-GOSISDBHSA-N 1 2 372.469 3.134 20 30 FGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000152124220 496054951 /nfs/dbraw/zinc/05/49/51/496054951.db2.gz OJMNYAXBSLMMRY-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000160930621 496069637 /nfs/dbraw/zinc/06/96/37/496069637.db2.gz YSOVKIULKWUQKG-HXUWFJFHSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000160930621 496069641 /nfs/dbraw/zinc/06/96/41/496069641.db2.gz YSOVKIULKWUQKG-HXUWFJFHSA-N 1 2 351.425 3.482 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1C ZINC000177577602 496119040 /nfs/dbraw/zinc/11/90/40/496119040.db2.gz JMEYDLLTKJBUPR-HXUWFJFHSA-N 1 2 365.477 3.037 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1C ZINC000177577602 496119046 /nfs/dbraw/zinc/11/90/46/496119046.db2.gz JMEYDLLTKJBUPR-HXUWFJFHSA-N 1 2 365.477 3.037 20 30 FGEDLO Cc1ccc(NC(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000174864294 496139007 /nfs/dbraw/zinc/13/90/07/496139007.db2.gz HTVAHTOIXWGWSN-UHFFFAOYSA-N 1 2 364.449 3.095 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000177631311 496139451 /nfs/dbraw/zinc/13/94/51/496139451.db2.gz QMMUTGRECPCWTQ-SFHVURJKSA-N 1 2 365.477 3.018 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000183960407 496177727 /nfs/dbraw/zinc/17/77/27/496177727.db2.gz AWSRGEQNEAYTGG-QGZVFWFLSA-N 1 2 363.461 3.476 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000183971758 496182723 /nfs/dbraw/zinc/18/27/23/496182723.db2.gz QZIPUHPMXVWMKW-KRWDZBQOSA-N 1 2 372.472 3.487 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156310079 496212483 /nfs/dbraw/zinc/21/24/83/496212483.db2.gz AOFNHFFVDAEVTG-SFHVURJKSA-N 1 2 353.422 3.009 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N[C@@H](C#N)C3CC3)[nH+]c12 ZINC000161650050 496213545 /nfs/dbraw/zinc/21/35/45/496213545.db2.gz SGGQOVAIYPLJLP-SFHVURJKSA-N 1 2 360.417 3.254 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)c1c(F)cccc1F ZINC000177930297 496256333 /nfs/dbraw/zinc/25/63/33/496256333.db2.gz SIHHDMJULJUSHF-INIZCTEOSA-N 1 2 362.355 3.400 20 30 FGEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000181072342 496261105 /nfs/dbraw/zinc/26/11/05/496261105.db2.gz JTRVYLXDCKDEIK-UHFFFAOYSA-N 1 2 355.463 3.331 20 30 FGEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000181072342 496261107 /nfs/dbraw/zinc/26/11/07/496261107.db2.gz JTRVYLXDCKDEIK-UHFFFAOYSA-N 1 2 355.463 3.331 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187055402 496272298 /nfs/dbraw/zinc/27/22/98/496272298.db2.gz HQOKGWGNIFBKJD-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187055402 496272304 /nfs/dbraw/zinc/27/23/04/496272304.db2.gz HQOKGWGNIFBKJD-OAHLLOKOSA-N 1 2 358.492 3.133 20 30 FGEDLO Cc1oc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c(C#N)c1C ZINC000184181196 496275255 /nfs/dbraw/zinc/27/52/55/496275255.db2.gz OUGJIWOGBGVMCS-MRXNPFEDSA-N 1 2 359.426 3.303 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184212424 496288752 /nfs/dbraw/zinc/28/87/52/496288752.db2.gz SQJSFDZWYGVSLV-CRAIPNDOSA-N 1 2 355.438 3.482 20 30 FGEDLO COc1ccccc1S(=O)(=O)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000184220194 496291832 /nfs/dbraw/zinc/29/18/32/496291832.db2.gz GFUPTEXCGLUCJF-UHFFFAOYSA-N 1 2 352.500 3.121 20 30 FGEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000184220194 496291839 /nfs/dbraw/zinc/29/18/39/496291839.db2.gz GFUPTEXCGLUCJF-UHFFFAOYSA-N 1 2 352.500 3.121 20 30 FGEDLO COCCOc1ccc(C#N)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000184329165 496336943 /nfs/dbraw/zinc/33/69/43/496336943.db2.gz XRFSLTMPELUORB-UHFFFAOYSA-N 1 2 352.438 3.191 20 30 FGEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000156810818 496338336 /nfs/dbraw/zinc/33/83/36/496338336.db2.gz FPDSWRVPXRECIO-QAPCUYQASA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000156810818 496338344 /nfs/dbraw/zinc/33/83/44/496338344.db2.gz FPDSWRVPXRECIO-QAPCUYQASA-N 1 2 358.463 3.398 20 30 FGEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CCCC1 ZINC000162940930 496437691 /nfs/dbraw/zinc/43/76/91/496437691.db2.gz WTSORPCWDOYPCX-SFHVURJKSA-N 1 2 354.429 3.236 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccco1 ZINC000184566231 496442240 /nfs/dbraw/zinc/44/22/40/496442240.db2.gz QQCPPLOZMPVQHU-HOCLYGCPSA-N 1 2 373.478 3.447 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000178403077 496443263 /nfs/dbraw/zinc/44/32/63/496443263.db2.gz UXRWRDSFHHUOHY-UHFFFAOYSA-N 1 2 373.416 3.344 20 30 FGEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C1CCCC1 ZINC000162975891 496444711 /nfs/dbraw/zinc/44/47/11/496444711.db2.gz BADYGWRRHVRTDJ-LJQANCHMSA-N 1 2 366.465 3.106 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157658818 496524457 /nfs/dbraw/zinc/52/44/57/496524457.db2.gz BXPGNAKLEJEEFC-QGZVFWFLSA-N 1 2 365.408 3.231 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000157658818 496524462 /nfs/dbraw/zinc/52/44/62/496524462.db2.gz BXPGNAKLEJEEFC-QGZVFWFLSA-N 1 2 365.408 3.231 20 30 FGEDLO C=C(C)[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(F)c(F)c1 ZINC000187766600 496563208 /nfs/dbraw/zinc/56/32/08/496563208.db2.gz JDLDBBZLWHCOIQ-MRXNPFEDSA-N 1 2 372.462 3.373 20 30 FGEDLO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157817095 496563267 /nfs/dbraw/zinc/56/32/67/496563267.db2.gz PUGYJOXNGYDUHX-OAHLLOKOSA-N 1 2 353.422 3.205 20 30 FGEDLO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157817095 496563269 /nfs/dbraw/zinc/56/32/69/496563269.db2.gz PUGYJOXNGYDUHX-OAHLLOKOSA-N 1 2 353.422 3.205 20 30 FGEDLO C=CCn1c(SCc2cn3cccc(C)c3[nH+]2)nnc1-c1cnccn1 ZINC000157905661 496582460 /nfs/dbraw/zinc/58/24/60/496582460.db2.gz QAUHUCFDVHLTRD-UHFFFAOYSA-N 1 2 363.450 3.170 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C1CC1 ZINC000268602560 496743861 /nfs/dbraw/zinc/74/38/61/496743861.db2.gz VEBYCDQYQZJQLH-PMACEKPBSA-N 1 2 368.868 3.222 20 30 FGEDLO COc1ccsc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000268724657 496767329 /nfs/dbraw/zinc/76/73/29/496767329.db2.gz JDRVSTGMZUKBQV-SNAWJCMRSA-N 1 2 359.447 3.191 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000191457719 496769745 /nfs/dbraw/zinc/76/97/45/496769745.db2.gz VVDTWOPPXHQZAE-KRWDZBQOSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000191457719 496769747 /nfs/dbraw/zinc/76/97/47/496769747.db2.gz VVDTWOPPXHQZAE-KRWDZBQOSA-N 1 2 371.462 3.407 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976863 496779718 /nfs/dbraw/zinc/77/97/18/496779718.db2.gz XVFGTRWXTTXEHZ-GUYCJALGSA-N 1 2 366.303 3.496 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976863 496779721 /nfs/dbraw/zinc/77/97/21/496779721.db2.gz XVFGTRWXTTXEHZ-GUYCJALGSA-N 1 2 366.303 3.496 20 30 FGEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264076647 496806892 /nfs/dbraw/zinc/80/68/92/496806892.db2.gz CHWYEICGCCHFBZ-MRXNPFEDSA-N 1 2 374.448 3.138 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000264139820 496820898 /nfs/dbraw/zinc/82/08/98/496820898.db2.gz QCUUHIAOFZGEFD-UHFFFAOYSA-N 1 2 350.378 3.245 20 30 FGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(C(F)(F)F)c1 ZINC000264362276 496882215 /nfs/dbraw/zinc/88/22/15/496882215.db2.gz BTIUSNWUYNHNRE-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780899 496886956 /nfs/dbraw/zinc/88/69/56/496886956.db2.gz ZFXLTPXMJDWVRG-HNNXBMFYSA-N 1 2 364.287 3.201 20 30 FGEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191780899 496886961 /nfs/dbraw/zinc/88/69/61/496886961.db2.gz ZFXLTPXMJDWVRG-HNNXBMFYSA-N 1 2 364.287 3.201 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188774860 496905193 /nfs/dbraw/zinc/90/51/93/496905193.db2.gz YZWHBTHMAVLKKB-LJQANCHMSA-N 1 2 350.890 3.043 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188774860 496905199 /nfs/dbraw/zinc/90/51/99/496905199.db2.gz YZWHBTHMAVLKKB-LJQANCHMSA-N 1 2 350.890 3.043 20 30 FGEDLO CC(C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248219777 496974255 /nfs/dbraw/zinc/97/42/55/496974255.db2.gz HMRNBRADXQMNKR-FUHIMQAGSA-N 1 2 373.497 3.441 20 30 FGEDLO CC(C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248219777 496974256 /nfs/dbraw/zinc/97/42/56/496974256.db2.gz HMRNBRADXQMNKR-FUHIMQAGSA-N 1 2 373.497 3.441 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269609094 496977012 /nfs/dbraw/zinc/97/70/12/496977012.db2.gz APHYVIITGYQHMC-UHFFFAOYSA-N 1 2 359.433 3.205 20 30 FGEDLO C=CCN(C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC1 ZINC000278137121 497017757 /nfs/dbraw/zinc/01/77/57/497017757.db2.gz XQLBBNNRVGBADN-UHFFFAOYSA-N 1 2 364.449 3.002 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000248603269 497052849 /nfs/dbraw/zinc/05/28/49/497052849.db2.gz DQWWUKCCKADDRH-KSSFIOAISA-N 1 2 353.422 3.462 20 30 FGEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000248603269 497052853 /nfs/dbraw/zinc/05/28/53/497052853.db2.gz DQWWUKCCKADDRH-KSSFIOAISA-N 1 2 353.422 3.462 20 30 FGEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000270249782 497086025 /nfs/dbraw/zinc/08/60/25/497086025.db2.gz IRTVVCBGLSSQOQ-RXVVDRJESA-N 1 2 362.477 3.234 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248863265 497119949 /nfs/dbraw/zinc/11/99/49/497119949.db2.gz XVYNYSJXUFQTKO-JONQDZQNSA-N 1 2 361.511 3.111 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248863265 497119955 /nfs/dbraw/zinc/11/99/55/497119955.db2.gz XVYNYSJXUFQTKO-JONQDZQNSA-N 1 2 361.511 3.111 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(OC)cc(OC)cc1OC ZINC000574943628 505887368 /nfs/dbraw/zinc/88/73/68/505887368.db2.gz CYLGLZNFFKWVMB-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(OC)cc(OC)cc1OC ZINC000574943628 505887369 /nfs/dbraw/zinc/88/73/69/505887369.db2.gz CYLGLZNFFKWVMB-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(F)ccc3C#N)CC2)s1 ZINC000189515301 497145821 /nfs/dbraw/zinc/14/58/21/497145821.db2.gz WSZRPVIZQCENOB-UHFFFAOYSA-N 1 2 367.453 3.333 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275463499 497333937 /nfs/dbraw/zinc/33/39/37/497333937.db2.gz NPYSMHCFKIZROD-YOEHRIQHSA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275463499 497333940 /nfs/dbraw/zinc/33/39/40/497333940.db2.gz NPYSMHCFKIZROD-YOEHRIQHSA-N 1 2 361.511 3.112 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000193353378 497359572 /nfs/dbraw/zinc/35/95/72/497359572.db2.gz IFQMAVHURVDJAR-UHFFFAOYSA-N 1 2 360.421 3.390 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000272209671 497565507 /nfs/dbraw/zinc/56/55/07/497565507.db2.gz ABAFIUFPOOGLSI-UHFFFAOYSA-N 1 2 369.421 3.176 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000272209671 497565513 /nfs/dbraw/zinc/56/55/13/497565513.db2.gz ABAFIUFPOOGLSI-UHFFFAOYSA-N 1 2 369.421 3.176 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000272252863 497577705 /nfs/dbraw/zinc/57/77/05/497577705.db2.gz CGJAETJLBHJDBW-UHFFFAOYSA-N 1 2 370.453 3.082 20 30 FGEDLO CC(C)(C#N)c1ccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 ZINC000280185184 497674258 /nfs/dbraw/zinc/67/42/58/497674258.db2.gz PULOIDSGTRUCKK-UHFFFAOYSA-N 1 2 370.522 3.127 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000191134114 497720669 /nfs/dbraw/zinc/72/06/69/497720669.db2.gz OGMGAEGGWOHANB-IBGZPJMESA-N 1 2 360.889 3.234 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000191146944 497723687 /nfs/dbraw/zinc/72/36/87/497723687.db2.gz NBGQRVKKLZPBTF-UHFFFAOYSA-N 1 2 355.463 3.286 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000191146944 497723694 /nfs/dbraw/zinc/72/36/94/497723694.db2.gz NBGQRVKKLZPBTF-UHFFFAOYSA-N 1 2 355.463 3.286 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4sccc4[nH]3)CC2)cc1 ZINC000277091339 497739176 /nfs/dbraw/zinc/73/91/76/497739176.db2.gz KNVIOOGJWZXCAW-UHFFFAOYSA-N 1 2 350.447 3.059 20 30 FGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000280582575 497793559 /nfs/dbraw/zinc/79/35/59/497793559.db2.gz SWYSRYCKDNPNRM-QGZVFWFLSA-N 1 2 365.271 3.091 20 30 FGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]2(CCOC2)O1 ZINC000280582575 497793560 /nfs/dbraw/zinc/79/35/60/497793560.db2.gz SWYSRYCKDNPNRM-QGZVFWFLSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291977792 497822634 /nfs/dbraw/zinc/82/26/34/497822634.db2.gz WBTJKDLANSVOBL-CVEARBPZSA-N 1 2 369.494 3.163 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291977792 497822637 /nfs/dbraw/zinc/82/26/37/497822637.db2.gz WBTJKDLANSVOBL-CVEARBPZSA-N 1 2 369.494 3.163 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)NC4(C#N)CCC4)cc3)[nH+]c12 ZINC000299531069 497837461 /nfs/dbraw/zinc/83/74/61/497837461.db2.gz SXYQOHOQTPRWIN-UHFFFAOYSA-N 1 2 360.417 3.398 20 30 FGEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C1 ZINC000329810660 497909812 /nfs/dbraw/zinc/90/98/12/497909812.db2.gz MMRBCQPGFCTDSD-MSOLQXFVSA-N 1 2 371.529 3.400 20 30 FGEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C1 ZINC000329810660 497909819 /nfs/dbraw/zinc/90/98/19/497909819.db2.gz MMRBCQPGFCTDSD-MSOLQXFVSA-N 1 2 371.529 3.400 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000329817935 497913398 /nfs/dbraw/zinc/91/33/98/497913398.db2.gz WXGUCGWWGLMZNR-AZUAARDMSA-N 1 2 373.545 3.037 20 30 FGEDLO CCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329893473 497943017 /nfs/dbraw/zinc/94/30/17/497943017.db2.gz ASBNEUBXFQAIII-IGDKPHCXSA-N 1 2 371.529 3.014 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@@H](C2CC2)O1 ZINC000329912216 497949739 /nfs/dbraw/zinc/94/97/39/497949739.db2.gz OFEYTSADEWWOAY-YJBOKZPZSA-N 1 2 358.486 3.159 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@@H](C2CC2)O1 ZINC000329912216 497949742 /nfs/dbraw/zinc/94/97/42/497949742.db2.gz OFEYTSADEWWOAY-YJBOKZPZSA-N 1 2 358.486 3.159 20 30 FGEDLO CCC1(CC)CCC(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000329926606 497955366 /nfs/dbraw/zinc/95/53/66/497955366.db2.gz KVAUOGIUAWDETH-QGZVFWFLSA-N 1 2 361.534 3.372 20 30 FGEDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCO2 ZINC000329937992 497961403 /nfs/dbraw/zinc/96/14/03/497961403.db2.gz ABEAIZLUFPLSBB-HXUWFJFHSA-N 1 2 352.390 3.135 20 30 FGEDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCO2 ZINC000329937992 497961409 /nfs/dbraw/zinc/96/14/09/497961409.db2.gz ABEAIZLUFPLSBB-HXUWFJFHSA-N 1 2 352.390 3.135 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281039386 497997326 /nfs/dbraw/zinc/99/73/26/497997326.db2.gz NURSKYVXYUYKBZ-QRFRQXIXSA-N 1 2 373.497 3.183 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000301290960 498042111 /nfs/dbraw/zinc/04/21/11/498042111.db2.gz UGWOQNRNQQVTFK-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CC(C)(CNC(=O)N[C@@H]1CCCc2cn[nH]c21)[N@@H+]1CCc2ccccc2C1 ZINC000330154701 498042310 /nfs/dbraw/zinc/04/23/10/498042310.db2.gz NQVBAYMWYMRWHM-GOSISDBHSA-N 1 2 367.497 3.128 20 30 FGEDLO CC(C)(CNC(=O)N[C@@H]1CCCc2cn[nH]c21)[N@H+]1CCc2ccccc2C1 ZINC000330154701 498042317 /nfs/dbraw/zinc/04/23/17/498042317.db2.gz NQVBAYMWYMRWHM-GOSISDBHSA-N 1 2 367.497 3.128 20 30 FGEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3coc(-c4ccccc4)n3)C2=O)cc1 ZINC000364599411 498044009 /nfs/dbraw/zinc/04/40/09/498044009.db2.gz DSYLENIIYPOQAJ-FQEVSTJZSA-N 1 2 372.428 3.104 20 30 FGEDLO CN(C)c1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000330318068 498103010 /nfs/dbraw/zinc/10/30/10/498103010.db2.gz CBPIVBOSVYGMME-UHFFFAOYSA-N 1 2 368.485 3.106 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330345061 498112810 /nfs/dbraw/zinc/11/28/10/498112810.db2.gz DRUJTRBOOWPVFE-SFHVURJKSA-N 1 2 370.501 3.179 20 30 FGEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285567836 498132330 /nfs/dbraw/zinc/13/23/30/498132330.db2.gz TXTLBYWCQNELRC-ZDUSSCGKSA-N 1 2 356.401 3.106 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000281398032 498135250 /nfs/dbraw/zinc/13/52/50/498135250.db2.gz ISKVNYZPYHNTKW-MRXNPFEDSA-N 1 2 366.465 3.296 20 30 FGEDLO CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330455838 498135973 /nfs/dbraw/zinc/13/59/73/498135973.db2.gz NJMOIPIQURWLMK-VUCTXSBTSA-N 1 2 371.884 3.230 20 30 FGEDLO CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330455838 498135976 /nfs/dbraw/zinc/13/59/76/498135976.db2.gz NJMOIPIQURWLMK-VUCTXSBTSA-N 1 2 371.884 3.230 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)cn1 ZINC000301571475 498167965 /nfs/dbraw/zinc/16/79/65/498167965.db2.gz LAXFZTZLKRXRIM-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)CCO1 ZINC000364844059 498169800 /nfs/dbraw/zinc/16/98/00/498169800.db2.gz MLXUIZZHHWDMQC-NRFANRHFSA-N 1 2 353.466 3.034 20 30 FGEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)CCO1 ZINC000364844059 498169807 /nfs/dbraw/zinc/16/98/07/498169807.db2.gz MLXUIZZHHWDMQC-NRFANRHFSA-N 1 2 353.466 3.034 20 30 FGEDLO CSc1ccc(C)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000330702103 498176924 /nfs/dbraw/zinc/17/69/24/498176924.db2.gz ZPISICDMCXBPFM-UHFFFAOYSA-N 1 2 350.488 3.194 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527694 498182754 /nfs/dbraw/zinc/18/27/54/498182754.db2.gz ZTWNXHSFGOJDSX-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000281527694 498182765 /nfs/dbraw/zinc/18/27/65/498182765.db2.gz ZTWNXHSFGOJDSX-NHYWBVRUSA-N 1 2 370.280 3.039 20 30 FGEDLO Cc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)c[nH+]c1N1CCCC[C@H]1C ZINC000330769363 498190476 /nfs/dbraw/zinc/19/04/76/498190476.db2.gz AHGXXUNXQROLJQ-TZMCWYRMSA-N 1 2 374.407 3.169 20 30 FGEDLO C[C@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000285764782 498194124 /nfs/dbraw/zinc/19/41/24/498194124.db2.gz SWRUOYPHDIELKZ-KBXCAEBGSA-N 1 2 354.429 3.281 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000360403156 498272047 /nfs/dbraw/zinc/27/20/47/498272047.db2.gz WYEDTYLUCUJMDV-MOPGFXCFSA-N 1 2 357.417 3.179 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2ccc(C#N)nn2)c2ccc(Cl)cc2)CCO1 ZINC000302016892 498369762 /nfs/dbraw/zinc/36/97/62/498369762.db2.gz YTUOHTSXSBZUFP-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2ccc(C#N)nn2)c2ccc(Cl)cc2)CCO1 ZINC000302016892 498369771 /nfs/dbraw/zinc/36/97/71/498369771.db2.gz YTUOHTSXSBZUFP-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO COc1ccc(Cl)c(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263098 498379276 /nfs/dbraw/zinc/37/92/76/498379276.db2.gz UMDQKUNVKWLIHZ-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(Cl)c(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000365263098 498379282 /nfs/dbraw/zinc/37/92/82/498379282.db2.gz UMDQKUNVKWLIHZ-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO C=CCC(F)(F)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000293641785 498439711 /nfs/dbraw/zinc/43/97/11/498439711.db2.gz YVDUBRJZZNUZOX-UHFFFAOYSA-N 1 2 372.213 3.275 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2F)n1C ZINC000331875899 498484359 /nfs/dbraw/zinc/48/43/59/498484359.db2.gz HVAHSZJFQFKKLJ-QGZVFWFLSA-N 1 2 354.429 3.123 20 30 FGEDLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2F)n1C ZINC000331875899 498484365 /nfs/dbraw/zinc/48/43/65/498484365.db2.gz HVAHSZJFQFKKLJ-QGZVFWFLSA-N 1 2 354.429 3.123 20 30 FGEDLO N#CCc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000578886898 506045040 /nfs/dbraw/zinc/04/50/40/506045040.db2.gz ZQIHCKRPYKLUJH-DAXSKMNVSA-N 1 2 374.488 3.293 20 30 FGEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302657924 498525854 /nfs/dbraw/zinc/52/58/54/498525854.db2.gz OIYPVGYZTIFPEV-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO C#CC[N@H+](Cc1cncnc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362651870 498531874 /nfs/dbraw/zinc/53/18/74/498531874.db2.gz BASNDYBNTBQSIK-MRXNPFEDSA-N 1 2 358.239 3.198 20 30 FGEDLO C#CC[N@@H+](Cc1cncnc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362651870 498531878 /nfs/dbraw/zinc/53/18/78/498531878.db2.gz BASNDYBNTBQSIK-MRXNPFEDSA-N 1 2 358.239 3.198 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282499363 498535852 /nfs/dbraw/zinc/53/58/52/498535852.db2.gz JMEXGLWSNHGDMF-SFHVURJKSA-N 1 2 363.465 3.180 20 30 FGEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1C(F)(F)F ZINC000297767280 498562051 /nfs/dbraw/zinc/56/20/51/498562051.db2.gz PPGNVLYEKWWAKF-UHFFFAOYSA-N 1 2 361.314 3.493 20 30 FGEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000294264366 498638221 /nfs/dbraw/zinc/63/82/21/498638221.db2.gz DNOXSEYNOBWGAG-UHFFFAOYSA-N 1 2 374.510 3.087 20 30 FGEDLO C[C@H](c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000294410151 498685438 /nfs/dbraw/zinc/68/54/38/498685438.db2.gz AMOQLNUAJHCTOQ-IERDGZPVSA-N 1 2 353.466 3.492 20 30 FGEDLO C#Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3csc(CC)n3)CC2)c1 ZINC000363177242 498688640 /nfs/dbraw/zinc/68/86/40/498688640.db2.gz RHHKZAPEGLKTKI-UHFFFAOYSA-N 1 2 368.506 3.427 20 30 FGEDLO C#Cc1cccc(NC(=O)N2CCC[N@H+](Cc3csc(CC)n3)CC2)c1 ZINC000363177242 498688650 /nfs/dbraw/zinc/68/86/50/498688650.db2.gz RHHKZAPEGLKTKI-UHFFFAOYSA-N 1 2 368.506 3.427 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)c1C#N ZINC000332444686 498690078 /nfs/dbraw/zinc/69/00/78/498690078.db2.gz KIMGKSYRSJZYSG-UHFFFAOYSA-N 1 2 371.510 3.218 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000366052998 498751556 /nfs/dbraw/zinc/75/15/56/498751556.db2.gz PJPVDRKMEIVZQE-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000366052998 498751564 /nfs/dbraw/zinc/75/15/64/498751564.db2.gz PJPVDRKMEIVZQE-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000363441515 498824420 /nfs/dbraw/zinc/82/44/20/498824420.db2.gz KYHKJIKGHAMHIO-LJQANCHMSA-N 1 2 362.458 3.010 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)(c3ccccn3)CC2)C1=O ZINC000298633866 498833872 /nfs/dbraw/zinc/83/38/72/498833872.db2.gz WCHFYKNLEGWILG-HNNXBMFYSA-N 1 2 370.453 3.081 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283335914 498855121 /nfs/dbraw/zinc/85/51/21/498855121.db2.gz ARAXIWFHEWAKCN-LMMKCTJWSA-N 1 2 372.513 3.090 20 30 FGEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720969 498860063 /nfs/dbraw/zinc/86/00/63/498860063.db2.gz KCCPNRNBTZZLKU-PKOBYXMFSA-N 1 2 372.428 3.349 20 30 FGEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000298720969 498860072 /nfs/dbraw/zinc/86/00/72/498860072.db2.gz KCCPNRNBTZZLKU-PKOBYXMFSA-N 1 2 372.428 3.349 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C[C@@H]1Oc3ccccc3NC1=O)CCC2 ZINC000328652161 498890166 /nfs/dbraw/zinc/89/01/66/498890166.db2.gz KGJJYQMZYHOONJ-BBRMVZONSA-N 1 2 354.410 3.465 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3cccc(F)c3)C1)CCC2 ZINC000328654818 498891006 /nfs/dbraw/zinc/89/10/06/498891006.db2.gz MCTJHOICTCPKPB-WMZOPIPTSA-N 1 2 372.444 3.196 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)CCC2 ZINC000328658633 498893170 /nfs/dbraw/zinc/89/31/70/498893170.db2.gz RKRYYIPXAMCMAD-LSDHHAIUSA-N 1 2 372.473 3.326 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccccn2)c1 ZINC000295158270 498928630 /nfs/dbraw/zinc/92/86/30/498928630.db2.gz MTXSOMRUJGSJKS-SFHVURJKSA-N 1 2 350.466 3.466 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)c1 ZINC000295158270 498928636 /nfs/dbraw/zinc/92/86/36/498928636.db2.gz MTXSOMRUJGSJKS-SFHVURJKSA-N 1 2 350.466 3.466 20 30 FGEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000328773999 498933655 /nfs/dbraw/zinc/93/36/55/498933655.db2.gz DWDZEIGYLHUAPX-WBVHZDCISA-N 1 2 370.428 3.217 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1c(C#N)cccc1C#N ZINC000366496335 498953115 /nfs/dbraw/zinc/95/31/15/498953115.db2.gz WROOBGHYPDJZAA-IRXDYDNUSA-N 1 2 353.401 3.059 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1c(C#N)cccc1C#N ZINC000366496335 498953122 /nfs/dbraw/zinc/95/31/22/498953122.db2.gz WROOBGHYPDJZAA-IRXDYDNUSA-N 1 2 353.401 3.059 20 30 FGEDLO COc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1OCCCC#N ZINC000288342015 498999039 /nfs/dbraw/zinc/99/90/39/498999039.db2.gz BMAQVSVHJJLTKC-UHFFFAOYSA-N 1 2 362.380 3.395 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000328977296 499004102 /nfs/dbraw/zinc/00/41/02/499004102.db2.gz BYWOTOWUPPCHGZ-HNNXBMFYSA-N 1 2 353.470 3.039 20 30 FGEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3Br)C2)n1 ZINC000329026387 499018203 /nfs/dbraw/zinc/01/82/03/499018203.db2.gz JUSLRKKKQGBQMK-NSHDSACASA-N 1 2 365.231 3.218 20 30 FGEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Br)C2)n1 ZINC000329026387 499018208 /nfs/dbraw/zinc/01/82/08/499018208.db2.gz JUSLRKKKQGBQMK-NSHDSACASA-N 1 2 365.231 3.218 20 30 FGEDLO CSc1cc2c(cc1NC(=O)[C@H](C)[NH+]1CCSCC1)OCCO2 ZINC000329376015 499111149 /nfs/dbraw/zinc/11/11/49/499111149.db2.gz LPHYQUNJQVHIQP-NSHDSACASA-N 1 2 354.497 3.205 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000329382194 499112110 /nfs/dbraw/zinc/11/21/10/499112110.db2.gz OHUHBJNUDAJSDG-OAHLLOKOSA-N 1 2 366.469 3.421 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000366942521 499119517 /nfs/dbraw/zinc/11/95/17/499119517.db2.gz DTSOTJHIRHDXAN-BEFAXECRSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000366942521 499119519 /nfs/dbraw/zinc/11/95/19/499119519.db2.gz DTSOTJHIRHDXAN-BEFAXECRSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC12CCC2 ZINC000329453606 499123922 /nfs/dbraw/zinc/12/39/22/499123922.db2.gz MAYRTSLRDJILBR-WBVHZDCISA-N 1 2 360.502 3.314 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1Cc3ccccc3OC[C@H]1C)CCC2 ZINC000329458650 499124309 /nfs/dbraw/zinc/12/43/09/499124309.db2.gz ONAQTOWWVVWGPM-CVEARBPZSA-N 1 2 354.454 3.266 20 30 FGEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c2ccccc21 ZINC000367083034 499145597 /nfs/dbraw/zinc/14/55/97/499145597.db2.gz CJGBUDIBTNCZAP-HXUWFJFHSA-N 1 2 373.460 3.127 20 30 FGEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c2ccccc21 ZINC000367083033 499145607 /nfs/dbraw/zinc/14/56/07/499145607.db2.gz CJGBUDIBTNCZAP-FQEVSTJZSA-N 1 2 373.460 3.127 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000370295389 499206810 /nfs/dbraw/zinc/20/68/10/499206810.db2.gz VSSDULHVLPXITN-UHFFFAOYSA-N 1 2 361.424 3.464 20 30 FGEDLO N#CCC[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000370919887 499270614 /nfs/dbraw/zinc/27/06/14/499270614.db2.gz KOHLTODCPNNMMV-GOSISDBHSA-N 1 2 360.421 3.112 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000371397185 499320626 /nfs/dbraw/zinc/32/06/26/499320626.db2.gz NGCRZIIGZOZCTN-LJQANCHMSA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000371397185 499320627 /nfs/dbraw/zinc/32/06/27/499320627.db2.gz NGCRZIIGZOZCTN-LJQANCHMSA-N 1 2 352.482 3.412 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)c(C#N)c1C ZINC000371647834 499350270 /nfs/dbraw/zinc/35/02/70/499350270.db2.gz UPUMFKBOVFBMDA-INIZCTEOSA-N 1 2 363.421 3.003 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)c(C#N)c1C ZINC000371647834 499350271 /nfs/dbraw/zinc/35/02/71/499350271.db2.gz UPUMFKBOVFBMDA-INIZCTEOSA-N 1 2 363.421 3.003 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000368961791 499351149 /nfs/dbraw/zinc/35/11/49/499351149.db2.gz LETFFLQORISGFZ-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000368961791 499351150 /nfs/dbraw/zinc/35/11/50/499351150.db2.gz LETFFLQORISGFZ-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO N#C[C@]1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CCc2ccccc2C1 ZINC000371903884 499377103 /nfs/dbraw/zinc/37/71/03/499377103.db2.gz KYHGXINMVBBUCK-NRFANRHFSA-N 1 2 368.400 3.268 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000369207645 499377380 /nfs/dbraw/zinc/37/73/80/499377380.db2.gz QGXLBLIBNFYUJY-UHFFFAOYSA-N 1 2 354.841 3.231 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372149986 499403557 /nfs/dbraw/zinc/40/35/57/499403557.db2.gz QUTCPMFKRRJVFZ-OAHLLOKOSA-N 1 2 373.416 3.452 20 30 FGEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCC2CCC(C#N)CC2)c1 ZINC000369746831 499440283 /nfs/dbraw/zinc/44/02/83/499440283.db2.gz ZBZXALKIILDZPQ-UHFFFAOYSA-N 1 2 351.454 3.216 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373105319 499451633 /nfs/dbraw/zinc/45/16/33/499451633.db2.gz WVEDQUCIXZSUQA-MRXNPFEDSA-N 1 2 367.453 3.490 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)ccc1OC ZINC000373752387 499486399 /nfs/dbraw/zinc/48/63/99/499486399.db2.gz WMQBXROOEALJDC-QZTJIDSGSA-N 1 2 359.466 3.220 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)ccc1OC ZINC000373752387 499486400 /nfs/dbraw/zinc/48/64/00/499486400.db2.gz WMQBXROOEALJDC-QZTJIDSGSA-N 1 2 359.466 3.220 20 30 FGEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378243817 499493791 /nfs/dbraw/zinc/49/37/91/499493791.db2.gz TWEINUGZNQUHBQ-IBGZPJMESA-N 1 2 363.465 3.338 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Cc3cccnc3)CC2)c(C#N)c1C ZINC000378396199 499512000 /nfs/dbraw/zinc/51/20/00/499512000.db2.gz AHMGRWCSLFWKAQ-HNNXBMFYSA-N 1 2 366.465 3.445 20 30 FGEDLO Cc1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000378493888 499523769 /nfs/dbraw/zinc/52/37/69/499523769.db2.gz VOJRRFLMUBSXNX-UHFFFAOYSA-N 1 2 360.259 3.127 20 30 FGEDLO Cc1nnc(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)[nH]1 ZINC000378493888 499523771 /nfs/dbraw/zinc/52/37/71/499523771.db2.gz VOJRRFLMUBSXNX-UHFFFAOYSA-N 1 2 360.259 3.127 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000411135816 499701514 /nfs/dbraw/zinc/70/15/14/499701514.db2.gz MFKDNOIUEOZXQY-AWEZNQCLSA-N 1 2 357.479 3.123 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000411135816 499701516 /nfs/dbraw/zinc/70/15/16/499701516.db2.gz MFKDNOIUEOZXQY-AWEZNQCLSA-N 1 2 357.479 3.123 20 30 FGEDLO N#Cc1ccc(CCC(=O)NC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000377659152 499716454 /nfs/dbraw/zinc/71/64/54/499716454.db2.gz XUURVHJUMKETOX-UHFFFAOYSA-N 1 2 373.460 3.152 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000411515266 499750280 /nfs/dbraw/zinc/75/02/80/499750280.db2.gz VFFNYLINSCULNA-JKSUJKDBSA-N 1 2 373.478 3.322 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378095620 499758802 /nfs/dbraw/zinc/75/88/02/499758802.db2.gz RNYVDMVDFLEWSU-UHFFFAOYSA-N 1 2 351.328 3.123 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000411678266 499776612 /nfs/dbraw/zinc/77/66/12/499776612.db2.gz UOWZVXNDQMEFLW-UHFFFAOYSA-N 1 2 363.531 3.471 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000411678266 499776613 /nfs/dbraw/zinc/77/66/13/499776613.db2.gz UOWZVXNDQMEFLW-UHFFFAOYSA-N 1 2 363.531 3.471 20 30 FGEDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)no1 ZINC000411798012 499792010 /nfs/dbraw/zinc/79/20/10/499792010.db2.gz SDRQVZPBEQSOCA-GOSISDBHSA-N 1 2 373.844 3.147 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2csnn2)c1C#N ZINC000412037103 499815301 /nfs/dbraw/zinc/81/53/01/499815301.db2.gz IXTMWRKCBARWBJ-LBPRGKRZSA-N 1 2 372.498 3.233 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2csnn2)c1 ZINC000412040968 499816214 /nfs/dbraw/zinc/81/62/14/499816214.db2.gz MWWWQVIGBCUNPA-CABCVRRESA-N 1 2 357.483 3.141 20 30 FGEDLO Cc1cc(N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425205528 500043824 /nfs/dbraw/zinc/04/38/24/500043824.db2.gz BOADWZMUUVEJFY-CQSZACIVSA-N 1 2 365.355 3.157 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C)ncc3C#N)CC2)cs1 ZINC000425236330 500052502 /nfs/dbraw/zinc/05/25/02/500052502.db2.gz PYFOALQZPAVPBM-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C)ncc3C#N)CC2)cs1 ZINC000425236330 500052507 /nfs/dbraw/zinc/05/25/07/500052507.db2.gz PYFOALQZPAVPBM-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000413811440 500063922 /nfs/dbraw/zinc/06/39/22/500063922.db2.gz BEQFWGBRCMNLBG-NRFANRHFSA-N 1 2 364.493 3.096 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000425395214 500093331 /nfs/dbraw/zinc/09/33/31/500093331.db2.gz NBGOFLGABLXNSR-INIZCTEOSA-N 1 2 363.465 3.456 20 30 FGEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425510076 500127159 /nfs/dbraw/zinc/12/71/59/500127159.db2.gz LREUQCFSJGYCIH-DLBZAZTESA-N 1 2 374.362 3.364 20 30 FGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425510076 500127165 /nfs/dbraw/zinc/12/71/65/500127165.db2.gz LREUQCFSJGYCIH-DLBZAZTESA-N 1 2 374.362 3.364 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000425638852 500167484 /nfs/dbraw/zinc/16/74/84/500167484.db2.gz OCTITUVJCHCEMC-QGZVFWFLSA-N 1 2 363.461 3.224 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000427683063 500420743 /nfs/dbraw/zinc/42/07/43/500420743.db2.gz QRXJALXDQHKIGV-MRXNPFEDSA-N 1 2 351.406 3.380 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)nn1 ZINC000424294371 500482449 /nfs/dbraw/zinc/48/24/49/500482449.db2.gz KTSHONPENJQAEL-ZDUSSCGKSA-N 1 2 356.861 3.462 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)nn1 ZINC000424296260 500483461 /nfs/dbraw/zinc/48/34/61/500483461.db2.gz OBIPDSFPTYCTFM-HNNXBMFYSA-N 1 2 351.223 3.143 20 30 FGEDLO C=CCCn1cc(-c2nc(Cn3c4ccccc4[nH+]c3C(C)C)no2)nn1 ZINC000424355074 500491115 /nfs/dbraw/zinc/49/11/15/500491115.db2.gz JAXUQBFKDFUJFT-UHFFFAOYSA-N 1 2 363.425 3.426 20 30 FGEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000428360440 500500313 /nfs/dbraw/zinc/50/03/13/500500313.db2.gz BRYLSYFAYVWBGL-LJQANCHMSA-N 1 2 357.417 3.243 20 30 FGEDLO Cc1cc(N2CCN(Cc3cccc(F)c3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000428452745 500512006 /nfs/dbraw/zinc/51/20/06/500512006.db2.gz MTNUIXQEQFNSMY-UHFFFAOYSA-N 1 2 353.445 3.241 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000433289220 500662475 /nfs/dbraw/zinc/66/24/75/500662475.db2.gz PHOZWHUDQZWPIZ-HXUWFJFHSA-N 1 2 373.497 3.143 20 30 FGEDLO CC(C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000433289220 500662478 /nfs/dbraw/zinc/66/24/78/500662478.db2.gz PHOZWHUDQZWPIZ-HXUWFJFHSA-N 1 2 373.497 3.143 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433306113 500667908 /nfs/dbraw/zinc/66/79/08/500667908.db2.gz REBUCBQVEQBUPC-HNNXBMFYSA-N 1 2 351.397 3.265 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000433306113 500667910 /nfs/dbraw/zinc/66/79/10/500667910.db2.gz REBUCBQVEQBUPC-HNNXBMFYSA-N 1 2 351.397 3.265 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000433320655 500671902 /nfs/dbraw/zinc/67/19/02/500671902.db2.gz VGXLVMXCVMOYQK-GOSISDBHSA-N 1 2 362.408 3.400 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000433611317 500720424 /nfs/dbraw/zinc/72/04/24/500720424.db2.gz AVMZYBAXQKLRSV-UHFFFAOYSA-N 1 2 359.433 3.389 20 30 FGEDLO N#CCCN(CCc1cccc(Cl)c1Cl)CC[NH+]1CCOCC1 ZINC000434546714 500858978 /nfs/dbraw/zinc/85/89/78/500858978.db2.gz JDMWVSXLEXQIII-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@@H+](CCc1cccc(Cl)c1Cl)CCN1CCOCC1 ZINC000434546714 500858981 /nfs/dbraw/zinc/85/89/81/500858981.db2.gz JDMWVSXLEXQIII-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO N#CCC[N@H+](CCc1cccc(Cl)c1Cl)CCN1CCOCC1 ZINC000434546714 500858985 /nfs/dbraw/zinc/85/89/85/500858985.db2.gz JDMWVSXLEXQIII-UHFFFAOYSA-N 1 2 356.297 3.084 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000444717907 500886553 /nfs/dbraw/zinc/88/65/53/500886553.db2.gz JIYXVLUNZNYABW-YOEHRIQHSA-N 1 2 358.404 3.109 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1C ZINC000444717907 500886560 /nfs/dbraw/zinc/88/65/60/500886560.db2.gz JIYXVLUNZNYABW-YOEHRIQHSA-N 1 2 358.404 3.109 20 30 FGEDLO N#CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000439441584 500897413 /nfs/dbraw/zinc/89/74/13/500897413.db2.gz SJKVPIIDZIFPIY-HNNXBMFYSA-N 1 2 371.250 3.096 20 30 FGEDLO N#CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000439441584 500897417 /nfs/dbraw/zinc/89/74/17/500897417.db2.gz SJKVPIIDZIFPIY-HNNXBMFYSA-N 1 2 371.250 3.096 20 30 FGEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000439487103 500905392 /nfs/dbraw/zinc/90/53/92/500905392.db2.gz ZVTUQVYPOOHSKK-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000439487103 500905396 /nfs/dbraw/zinc/90/53/96/500905396.db2.gz ZVTUQVYPOOHSKK-HZPDHXFCSA-N 1 2 361.511 3.378 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC2)cc1 ZINC000435939355 501048803 /nfs/dbraw/zinc/04/88/03/501048803.db2.gz NLGAZRNURYPLPK-UHFFFAOYSA-N 1 2 350.809 3.207 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441082296 501085520 /nfs/dbraw/zinc/08/55/20/501085520.db2.gz WMSKOAREVRNDTK-NRFANRHFSA-N 1 2 361.445 3.121 20 30 FGEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441082296 501085522 /nfs/dbraw/zinc/08/55/22/501085522.db2.gz WMSKOAREVRNDTK-NRFANRHFSA-N 1 2 361.445 3.121 20 30 FGEDLO C=CCC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCC1 ZINC000449800854 501090888 /nfs/dbraw/zinc/09/08/88/501090888.db2.gz FUTVMRMSGYCBIZ-UHFFFAOYSA-N 1 2 372.509 3.150 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000441456547 501142899 /nfs/dbraw/zinc/14/28/99/501142899.db2.gz GUWCMNZVAUPJEE-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000441456547 501142901 /nfs/dbraw/zinc/14/29/01/501142901.db2.gz GUWCMNZVAUPJEE-OAHLLOKOSA-N 1 2 369.490 3.365 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)COc2ccc(C#N)cc2)c(C)c1 ZINC000441501114 501149596 /nfs/dbraw/zinc/14/95/96/501149596.db2.gz RQOZULPUUXQGJZ-OAQYLSRUSA-N 1 2 374.444 3.308 20 30 FGEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC12CCCC2 ZINC000450141883 501192438 /nfs/dbraw/zinc/19/24/38/501192438.db2.gz AQHYWYGAUVSZNV-HXUWFJFHSA-N 1 2 357.885 3.458 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000596070461 506239943 /nfs/dbraw/zinc/23/99/43/506239943.db2.gz DKEXJAWXIWHVCV-AWEZNQCLSA-N 1 2 355.873 3.447 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450234445 501215904 /nfs/dbraw/zinc/21/59/04/501215904.db2.gz SUFHNSYULPBUTP-DLBZAZTESA-N 1 2 360.820 3.163 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450234445 501215906 /nfs/dbraw/zinc/21/59/06/501215906.db2.gz SUFHNSYULPBUTP-DLBZAZTESA-N 1 2 360.820 3.163 20 30 FGEDLO CC1(C)C[N@@H+]([C@@H](CNc2nccc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000450312264 501231276 /nfs/dbraw/zinc/23/12/76/501231276.db2.gz GSJZBPQDXDNPDJ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO CC1(C)C[N@H+]([C@@H](CNc2nccc(C#N)n2)c2ccc(Cl)cc2)CCO1 ZINC000450312264 501231278 /nfs/dbraw/zinc/23/12/78/501231278.db2.gz GSJZBPQDXDNPDJ-KRWDZBQOSA-N 1 2 371.872 3.266 20 30 FGEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC2(CC#N)CC2)cc1 ZINC000451376873 501278664 /nfs/dbraw/zinc/27/86/64/501278664.db2.gz WEPGMNGOUCUIMP-UHFFFAOYSA-N 1 2 371.462 3.120 20 30 FGEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000451665922 501346929 /nfs/dbraw/zinc/34/69/29/501346929.db2.gz RCONBOSYTANOPW-UHFFFAOYSA-N 1 2 356.857 3.115 20 30 FGEDLO C=CC1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455857710 501401118 /nfs/dbraw/zinc/40/11/18/501401118.db2.gz ACISCEYGGBFWHZ-UHFFFAOYSA-N 1 2 353.264 3.340 20 30 FGEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626827 501492518 /nfs/dbraw/zinc/49/25/18/501492518.db2.gz PVHSWXBQKBHLRC-DLBZAZTESA-N 1 2 351.853 3.279 20 30 FGEDLO CC#CCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626827 501492520 /nfs/dbraw/zinc/49/25/20/501492520.db2.gz PVHSWXBQKBHLRC-DLBZAZTESA-N 1 2 351.853 3.279 20 30 FGEDLO C=CCC1(CNC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCCC1 ZINC000454328805 501514856 /nfs/dbraw/zinc/51/48/56/501514856.db2.gz RPZWLAJPRYPJQH-QGZVFWFLSA-N 1 2 372.513 3.242 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000456399053 501517487 /nfs/dbraw/zinc/51/74/87/501517487.db2.gz UJDSXPFFNLOVOU-CQSZACIVSA-N 1 2 364.405 3.438 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000454577574 501582461 /nfs/dbraw/zinc/58/24/61/501582461.db2.gz ADXQTSQKPCZUQB-ZDUSSCGKSA-N 1 2 364.371 3.334 20 30 FGEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1 ZINC000596107248 506262472 /nfs/dbraw/zinc/26/24/72/506262472.db2.gz LINQWTKVDRZQAH-CYBMUJFWSA-N 1 2 357.408 3.072 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000456834316 501607773 /nfs/dbraw/zinc/60/77/73/501607773.db2.gz JJSVHYAIOXRVNG-LJQANCHMSA-N 1 2 369.465 3.104 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000459254702 501619942 /nfs/dbraw/zinc/61/99/42/501619942.db2.gz FVPZGDKPGHIQLU-ZWKOTPCHSA-N 1 2 351.454 3.351 20 30 FGEDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459391494 501645250 /nfs/dbraw/zinc/64/52/50/501645250.db2.gz PWTUDFDZDWQAQG-SCLBCKFNSA-N 1 2 353.378 3.106 20 30 FGEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1OC ZINC000459389727 501645373 /nfs/dbraw/zinc/64/53/73/501645373.db2.gz HRKOSYFFUIJRBN-NSHDSACASA-N 1 2 359.357 3.474 20 30 FGEDLO Cc1cccnc1OC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459425102 501652108 /nfs/dbraw/zinc/65/21/08/501652108.db2.gz LPABAOMEXLYZNS-UHFFFAOYSA-N 1 2 352.394 3.213 20 30 FGEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459456833 501656876 /nfs/dbraw/zinc/65/68/76/501656876.db2.gz CKNJBYIHPQENDG-RNCFNFMXSA-N 1 2 370.236 3.000 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459797407 501715344 /nfs/dbraw/zinc/71/53/44/501715344.db2.gz SAXSXEAAFJXHLN-KBPBESRZSA-N 1 2 357.483 3.104 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255585 501770387 /nfs/dbraw/zinc/77/03/87/501770387.db2.gz UTTPRCZYQPVIIU-NSHGMRRFSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255585 501770390 /nfs/dbraw/zinc/77/03/90/501770390.db2.gz UTTPRCZYQPVIIU-NSHGMRRFSA-N 1 2 373.541 3.047 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N3CCc4c(CC#N)cccc4C3)[nH+]c12 ZINC000599001789 506272513 /nfs/dbraw/zinc/27/25/13/506272513.db2.gz RCOGMPKXSLUFGK-UHFFFAOYSA-N 1 2 373.460 3.019 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000481688080 501849127 /nfs/dbraw/zinc/84/91/27/501849127.db2.gz RAQFBCWAWJWVQJ-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000485575352 501865952 /nfs/dbraw/zinc/86/59/52/501865952.db2.gz YTQWUGCTLNKHJP-UHFFFAOYSA-N 1 2 365.437 3.477 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471167487 501944194 /nfs/dbraw/zinc/94/41/94/501944194.db2.gz CCWJVBSXOHSPID-LJQANCHMSA-N 1 2 357.417 3.129 20 30 FGEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471167487 501944196 /nfs/dbraw/zinc/94/41/96/501944196.db2.gz CCWJVBSXOHSPID-LJQANCHMSA-N 1 2 357.417 3.129 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N[C@@H](C#N)C(C)C)[nH+]c12 ZINC000464312027 501950312 /nfs/dbraw/zinc/95/03/12/501950312.db2.gz PIDIZJSSGLSGTE-SFHVURJKSA-N 1 2 362.433 3.500 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000478430352 501980343 /nfs/dbraw/zinc/98/03/43/501980343.db2.gz QZSMDWJJDRCFDZ-UHFFFAOYSA-N 1 2 358.463 3.370 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000478430352 501980348 /nfs/dbraw/zinc/98/03/48/501980348.db2.gz QZSMDWJJDRCFDZ-UHFFFAOYSA-N 1 2 358.463 3.370 20 30 FGEDLO Cc1oc2ccccc2c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000464650368 502055006 /nfs/dbraw/zinc/05/50/06/502055006.db2.gz SHRNYTXFNKICRP-UHFFFAOYSA-N 1 2 373.456 3.500 20 30 FGEDLO CCc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000596176512 506294110 /nfs/dbraw/zinc/29/41/10/506294110.db2.gz HNKCMYWMQQJOEX-LPHOPBHVSA-N 1 2 371.872 3.048 20 30 FGEDLO CCc1nc(C#N)cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000596176512 506294115 /nfs/dbraw/zinc/29/41/15/506294115.db2.gz HNKCMYWMQQJOEX-LPHOPBHVSA-N 1 2 371.872 3.048 20 30 FGEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602782925 506295695 /nfs/dbraw/zinc/29/56/95/506295695.db2.gz CBZDRIDCUHGBMX-CQSZACIVSA-N 1 2 357.483 3.171 20 30 FGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2ccc(C#N)cn2)CC1 ZINC000468706154 502153711 /nfs/dbraw/zinc/15/37/11/502153711.db2.gz HUVUAWAAZAMHQI-UHFFFAOYSA-N 1 2 359.433 3.145 20 30 FGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475562472 502213494 /nfs/dbraw/zinc/21/34/94/502213494.db2.gz SWXHYCBQTNDZSC-UHFFFAOYSA-N 1 2 352.276 3.021 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475562472 502213499 /nfs/dbraw/zinc/21/34/99/502213499.db2.gz SWXHYCBQTNDZSC-UHFFFAOYSA-N 1 2 352.276 3.021 20 30 FGEDLO N#Cc1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1F ZINC000483102224 502272208 /nfs/dbraw/zinc/27/22/08/502272208.db2.gz QHGKXOBLXHIABK-AWEZNQCLSA-N 1 2 354.303 3.419 20 30 FGEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483249927 502327809 /nfs/dbraw/zinc/32/78/09/502327809.db2.gz LDXVTMSENZSVIM-OAHLLOKOSA-N 1 2 364.232 3.127 20 30 FGEDLO C=CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000483349214 502358197 /nfs/dbraw/zinc/35/81/97/502358197.db2.gz YHZMCZBDGSJEIJ-HXUWFJFHSA-N 1 2 351.450 3.059 20 30 FGEDLO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000483349214 502358203 /nfs/dbraw/zinc/35/82/03/502358203.db2.gz YHZMCZBDGSJEIJ-HXUWFJFHSA-N 1 2 351.450 3.059 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000483522573 502420872 /nfs/dbraw/zinc/42/08/72/502420872.db2.gz ZSTXMZDRWVYWLM-LJQANCHMSA-N 1 2 368.525 3.157 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000487342852 502422460 /nfs/dbraw/zinc/42/24/60/502422460.db2.gz GZSWMXMQBJVOPH-UHFFFAOYSA-N 1 2 370.456 3.414 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000487342852 502422463 /nfs/dbraw/zinc/42/24/63/502422463.db2.gz GZSWMXMQBJVOPH-UHFFFAOYSA-N 1 2 370.456 3.414 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(C4CCC4)no3)CC2)c(F)c1 ZINC000602828597 506316885 /nfs/dbraw/zinc/31/68/85/506316885.db2.gz OLNVJHOOLIDRKC-UHFFFAOYSA-N 1 2 356.401 3.391 20 30 FGEDLO COc1cccc(C=C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000473014584 502499765 /nfs/dbraw/zinc/49/97/65/502499765.db2.gz KEADEQKZMIBYFE-OAQYLSRUSA-N 1 2 361.445 3.273 20 30 FGEDLO CO[C@]1(C)CCCN(c2cc(C)[nH+]c(N3CCC[C@](C)(OC)C3)c2C#N)C1 ZINC000596223204 506319073 /nfs/dbraw/zinc/31/90/73/506319073.db2.gz OKSGHPVPJDDBFW-RTWAWAEBSA-N 1 2 372.513 3.272 20 30 FGEDLO C=CCN(CCOC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000484470624 502648510 /nfs/dbraw/zinc/64/85/10/502648510.db2.gz GHIZUDUVMDNWLV-UHFFFAOYSA-N 1 2 352.438 3.268 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854261 506327972 /nfs/dbraw/zinc/32/79/72/506327972.db2.gz AXHDVYDVUYEZKE-MLHJIOFPSA-N 1 2 356.514 3.445 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000488389171 502701406 /nfs/dbraw/zinc/70/14/06/502701406.db2.gz JCCASLLVLZJNPL-HNNXBMFYSA-N 1 2 362.458 3.485 20 30 FGEDLO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100261 502820947 /nfs/dbraw/zinc/82/09/47/502820947.db2.gz ZCPHIZANLPPDML-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000509100261 502820951 /nfs/dbraw/zinc/82/09/51/502820951.db2.gz ZCPHIZANLPPDML-FOIQADDNSA-N 1 2 351.837 3.494 20 30 FGEDLO CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc(C#N)c1 ZINC000512967404 502823165 /nfs/dbraw/zinc/82/31/65/502823165.db2.gz PWWVUIANKRXXOU-UHFFFAOYSA-N 1 2 362.408 3.477 20 30 FGEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000513088412 502849019 /nfs/dbraw/zinc/84/90/19/502849019.db2.gz HRVZHDRMHMTHJC-NRFANRHFSA-N 1 2 374.423 3.300 20 30 FGEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cn1 ZINC000513088412 502849024 /nfs/dbraw/zinc/84/90/24/502849024.db2.gz HRVZHDRMHMTHJC-NRFANRHFSA-N 1 2 374.423 3.300 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000513122344 502857086 /nfs/dbraw/zinc/85/70/86/502857086.db2.gz NKBLWMCHZRMBNC-HNNXBMFYSA-N 1 2 372.490 3.251 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513122344 502857091 /nfs/dbraw/zinc/85/70/91/502857091.db2.gz NKBLWMCHZRMBNC-HNNXBMFYSA-N 1 2 372.490 3.251 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509509464 502921217 /nfs/dbraw/zinc/92/12/17/502921217.db2.gz QIKAKUOHHXCEPJ-CYBMUJFWSA-N 1 2 364.287 3.130 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509509464 502921214 /nfs/dbraw/zinc/92/12/14/502921214.db2.gz QIKAKUOHHXCEPJ-CYBMUJFWSA-N 1 2 364.287 3.130 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1c(F)cccc1C#N ZINC000513391493 502923388 /nfs/dbraw/zinc/92/33/88/502923388.db2.gz CPVDGEVXCZXWBD-UHFFFAOYSA-N 1 2 367.424 3.019 20 30 FGEDLO CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000505563775 502937128 /nfs/dbraw/zinc/93/71/28/502937128.db2.gz BAXCFJNXSRJWKK-WOJBJXKFSA-N 1 2 354.498 3.354 20 30 FGEDLO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513655048 502991692 /nfs/dbraw/zinc/99/16/92/502991692.db2.gz OXGWUWVHVBIURM-JTSKRJEESA-N 1 2 361.445 3.319 20 30 FGEDLO CC(C)Oc1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513655048 502991697 /nfs/dbraw/zinc/99/16/97/502991697.db2.gz OXGWUWVHVBIURM-JTSKRJEESA-N 1 2 361.445 3.319 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000505971684 503023487 /nfs/dbraw/zinc/02/34/87/503023487.db2.gz QRKXUBIRHIHRQZ-HNNXBMFYSA-N 1 2 358.323 3.277 20 30 FGEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031196 503094492 /nfs/dbraw/zinc/09/44/92/503094492.db2.gz AAHPOKKPTJZFIA-LAUBAEHRSA-N 1 2 372.513 3.089 20 30 FGEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031196 503094495 /nfs/dbraw/zinc/09/44/95/503094495.db2.gz AAHPOKKPTJZFIA-LAUBAEHRSA-N 1 2 372.513 3.089 20 30 FGEDLO C[C@H]1CCc2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)sc2C1 ZINC000506389121 503107276 /nfs/dbraw/zinc/10/72/76/503107276.db2.gz YGKQWTWRSKHVKI-HNNXBMFYSA-N 1 2 352.507 3.462 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924063 506352799 /nfs/dbraw/zinc/35/27/99/506352799.db2.gz BJMKWFUWCHHTHL-SFHVURJKSA-N 1 2 367.497 3.287 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000602924063 506352801 /nfs/dbraw/zinc/35/28/01/506352801.db2.gz BJMKWFUWCHHTHL-SFHVURJKSA-N 1 2 367.497 3.287 20 30 FGEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000593046728 506356997 /nfs/dbraw/zinc/35/69/97/506356997.db2.gz RLSVNKADBMUXMM-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000593046728 506357000 /nfs/dbraw/zinc/35/70/00/506357000.db2.gz RLSVNKADBMUXMM-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)c(F)c1 ZINC000507185082 503245221 /nfs/dbraw/zinc/24/52/21/503245221.db2.gz VOWFBJVOJMKJBV-UHFFFAOYSA-N 1 2 371.387 3.025 20 30 FGEDLO CNC(=O)C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000515006959 503248257 /nfs/dbraw/zinc/24/82/57/503248257.db2.gz DFPDVRSLSCAQFW-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000602944650 506361183 /nfs/dbraw/zinc/36/11/83/506361183.db2.gz WDOFYOASCXOXDT-KRWDZBQOSA-N 1 2 353.470 3.102 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000602944650 506361188 /nfs/dbraw/zinc/36/11/88/506361188.db2.gz WDOFYOASCXOXDT-KRWDZBQOSA-N 1 2 353.470 3.102 20 30 FGEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507294321 503271603 /nfs/dbraw/zinc/27/16/03/503271603.db2.gz VZKLXCQEWAZRJP-UHFFFAOYSA-N 1 2 362.477 3.122 20 30 FGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491356727 503299738 /nfs/dbraw/zinc/29/97/38/503299738.db2.gz QRMPEILEIYJULJ-UHFFFAOYSA-N 1 2 367.449 3.076 20 30 FGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491356727 503299741 /nfs/dbraw/zinc/29/97/41/503299741.db2.gz QRMPEILEIYJULJ-UHFFFAOYSA-N 1 2 367.449 3.076 20 30 FGEDLO N#Cc1c2c(cnc1N1CC[NH+](Cc3cc4ccccc4[nH]3)CC1)CCC2 ZINC000599188012 506365549 /nfs/dbraw/zinc/36/55/49/506365549.db2.gz UGXVNTIJPKANFT-UHFFFAOYSA-N 1 2 357.461 3.245 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1OC ZINC000503084000 503343350 /nfs/dbraw/zinc/34/33/50/503343350.db2.gz JTZFJCPMRBEWHQ-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1OC ZINC000503084000 503343351 /nfs/dbraw/zinc/34/33/51/503343351.db2.gz JTZFJCPMRBEWHQ-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000511572188 503346543 /nfs/dbraw/zinc/34/65/43/503346543.db2.gz JMLGLKLTHXOUNX-MRXNPFEDSA-N 1 2 362.408 3.423 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507705962 503351973 /nfs/dbraw/zinc/35/19/73/503351973.db2.gz XLPVOYUNQFUONB-SJLPKXTDSA-N 1 2 371.308 3.308 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507705962 503351976 /nfs/dbraw/zinc/35/19/76/503351976.db2.gz XLPVOYUNQFUONB-SJLPKXTDSA-N 1 2 371.308 3.308 20 30 FGEDLO COc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507767775 503362974 /nfs/dbraw/zinc/36/29/74/503362974.db2.gz DVEXMSZNBMMGSV-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO C=CCNc1ncc(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)s1 ZINC000507822354 503374724 /nfs/dbraw/zinc/37/47/24/503374724.db2.gz CMQFUSLVKJJTDE-CQSZACIVSA-N 1 2 371.510 3.497 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCN1CC(F)F ZINC000492585482 503376004 /nfs/dbraw/zinc/37/60/04/503376004.db2.gz WYEKCIABDHVFIF-CQSZACIVSA-N 1 2 372.257 3.482 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCN1CC(F)F ZINC000492585482 503376005 /nfs/dbraw/zinc/37/60/05/503376005.db2.gz WYEKCIABDHVFIF-CQSZACIVSA-N 1 2 372.257 3.482 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000503252349 503377842 /nfs/dbraw/zinc/37/78/42/503377842.db2.gz QCORCDUAKHOSAL-OAQYLSRUSA-N 1 2 374.444 3.207 20 30 FGEDLO N#Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000493128818 503407685 /nfs/dbraw/zinc/40/76/85/503407685.db2.gz CVIHMPXCYNHJDI-UHFFFAOYSA-N 1 2 372.837 3.257 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000512200526 503484413 /nfs/dbraw/zinc/48/44/13/503484413.db2.gz GHHLSWRUGGTPFH-OAHLLOKOSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000512200526 503484415 /nfs/dbraw/zinc/48/44/15/503484415.db2.gz GHHLSWRUGGTPFH-OAHLLOKOSA-N 1 2 353.422 3.049 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512217833 503489805 /nfs/dbraw/zinc/48/98/05/503489805.db2.gz HALXCWWUEHMATM-PXNSSMCTSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(CO)o1 ZINC000512217833 503489810 /nfs/dbraw/zinc/48/98/10/503489810.db2.gz HALXCWWUEHMATM-PXNSSMCTSA-N 1 2 360.498 3.331 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000494163104 503497185 /nfs/dbraw/zinc/49/71/85/503497185.db2.gz LLWIHGSVSQCUHE-UHFFFAOYSA-N 1 2 370.840 3.438 20 30 FGEDLO Cn1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000508455503 503497186 /nfs/dbraw/zinc/49/71/86/503497186.db2.gz YQTJLMVIGGKWAI-UHFFFAOYSA-N 1 2 369.432 3.211 20 30 FGEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000516376390 503503511 /nfs/dbraw/zinc/50/35/11/503503511.db2.gz XSNMPISGWAKSTC-OCCSQVGLSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000516376390 503503516 /nfs/dbraw/zinc/50/35/16/503503516.db2.gz XSNMPISGWAKSTC-OCCSQVGLSA-N 1 2 367.434 3.279 20 30 FGEDLO CC(C)c1ccc(-c2ncc(C[NH+]3CCN(C(=O)CC#N)CC3)s2)cc1 ZINC000516488527 503519391 /nfs/dbraw/zinc/51/93/91/503519391.db2.gz FKJMMWOHMSCYSU-UHFFFAOYSA-N 1 2 368.506 3.491 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C1=O ZINC000500026752 503536335 /nfs/dbraw/zinc/53/63/35/503536335.db2.gz SJOFSYAJPBXZOE-IBGZPJMESA-N 1 2 369.440 3.018 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)C1=O ZINC000500026752 503536340 /nfs/dbraw/zinc/53/63/40/503536340.db2.gz SJOFSYAJPBXZOE-IBGZPJMESA-N 1 2 369.440 3.018 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000512416435 503543534 /nfs/dbraw/zinc/54/35/34/503543534.db2.gz TZJXJVGWVHQJKC-UHFFFAOYSA-N 1 2 369.421 3.409 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000512416435 503543539 /nfs/dbraw/zinc/54/35/39/503543539.db2.gz TZJXJVGWVHQJKC-UHFFFAOYSA-N 1 2 369.421 3.409 20 30 FGEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516684854 503568278 /nfs/dbraw/zinc/56/82/78/503568278.db2.gz NIEHEXMJLUZTEJ-XLIONFOSSA-N 1 2 354.498 3.212 20 30 FGEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000494709745 503598843 /nfs/dbraw/zinc/59/88/43/503598843.db2.gz OMGZQWNXFRYQMY-UXHICEINSA-N 1 2 357.498 3.118 20 30 FGEDLO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654852 503604724 /nfs/dbraw/zinc/60/47/24/503604724.db2.gz PGEBSAFTVPMKEG-NBCNXNJRSA-N 1 2 367.468 3.231 20 30 FGEDLO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512654852 503604729 /nfs/dbraw/zinc/60/47/29/503604729.db2.gz PGEBSAFTVPMKEG-NBCNXNJRSA-N 1 2 367.468 3.231 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000543209121 503681039 /nfs/dbraw/zinc/68/10/39/503681039.db2.gz YMRDPYZUTCAMMF-UHFFFAOYSA-N 1 2 356.857 3.246 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1C#N ZINC000540332328 503740545 /nfs/dbraw/zinc/74/05/45/503740545.db2.gz KEVZAUFFQMXAIH-CYBMUJFWSA-N 1 2 351.406 3.154 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000540465805 503779581 /nfs/dbraw/zinc/77/95/81/503779581.db2.gz SJXFQKVKTFYTLV-UHFFFAOYSA-N 1 2 372.472 3.317 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1F ZINC000537048245 503789086 /nfs/dbraw/zinc/78/90/86/503789086.db2.gz VOAWZTHKHZWUDC-IBGZPJMESA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1F ZINC000537048245 503789090 /nfs/dbraw/zinc/78/90/90/503789090.db2.gz VOAWZTHKHZWUDC-IBGZPJMESA-N 1 2 351.425 3.482 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000517694867 503808450 /nfs/dbraw/zinc/80/84/50/503808450.db2.gz VAUUFVPBISBZPH-IKGGRYGDSA-N 1 2 374.872 3.196 20 30 FGEDLO COCc1cnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000537162685 503822416 /nfs/dbraw/zinc/82/24/16/503822416.db2.gz RMQUETIHEFRUDT-UHFFFAOYSA-N 1 2 370.478 3.012 20 30 FGEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)o1 ZINC000527575018 503838620 /nfs/dbraw/zinc/83/86/20/503838620.db2.gz AXRMLJMWFHCQDU-UHFFFAOYSA-N 1 2 355.413 3.302 20 30 FGEDLO N#CC1(CCC[S@](=O)Cc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000543787182 503893256 /nfs/dbraw/zinc/89/32/56/503893256.db2.gz IVUXCXGPVUDQQG-SANMLTNESA-N 1 2 371.506 3.281 20 30 FGEDLO C[C@@H](C#N)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000543805258 503899344 /nfs/dbraw/zinc/89/93/44/503899344.db2.gz JLIRLPMGONIYIG-WFASDCNBSA-N 1 2 352.841 3.075 20 30 FGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(F)c(Br)cc2F)nn1 ZINC000527910485 503995013 /nfs/dbraw/zinc/99/50/13/503995013.db2.gz ONGBVXWZYJUFSQ-SECBINFHSA-N 1 2 357.202 3.356 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683071 504003878 /nfs/dbraw/zinc/00/38/78/504003878.db2.gz CWSRQJHWIUEJHE-CABCVRRESA-N 1 2 372.465 3.479 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537683071 504003882 /nfs/dbraw/zinc/00/38/82/504003882.db2.gz CWSRQJHWIUEJHE-CABCVRRESA-N 1 2 372.465 3.479 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CSCc3ccc(C#N)cc3)n2)C1 ZINC000547236988 504030155 /nfs/dbraw/zinc/03/01/55/504030155.db2.gz KRFHERMYFMYSOS-MRXNPFEDSA-N 1 2 358.467 3.156 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CSCc3ccc(C#N)cc3)n2)C1 ZINC000547236988 504030159 /nfs/dbraw/zinc/03/01/59/504030159.db2.gz KRFHERMYFMYSOS-MRXNPFEDSA-N 1 2 358.467 3.156 20 30 FGEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000531386325 504289245 /nfs/dbraw/zinc/28/92/45/504289245.db2.gz ALMXXMQIZSIVAX-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO CN(C)C(=O)N1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000538628908 504309323 /nfs/dbraw/zinc/30/93/23/504309323.db2.gz YKYSKAOPXIEUCZ-UHFFFAOYSA-N 1 2 367.415 3.135 20 30 FGEDLO CN(C)C(=O)N1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000538628908 504309327 /nfs/dbraw/zinc/30/93/27/504309327.db2.gz YKYSKAOPXIEUCZ-UHFFFAOYSA-N 1 2 367.415 3.135 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000548425097 504441154 /nfs/dbraw/zinc/44/11/54/504441154.db2.gz NSDANRPPIGXHDZ-YLJYHZDGSA-N 1 2 355.482 3.049 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000548425097 504441158 /nfs/dbraw/zinc/44/11/58/504441158.db2.gz NSDANRPPIGXHDZ-YLJYHZDGSA-N 1 2 355.482 3.049 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000542610317 504551223 /nfs/dbraw/zinc/55/12/23/504551223.db2.gz KKATUIGQVKWDFO-AWEZNQCLSA-N 1 2 360.433 3.259 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc3c(c2C#N)CCC3)cc1 ZINC000520800267 504585630 /nfs/dbraw/zinc/58/56/30/504585630.db2.gz LAEVKZRCRDSYDL-OAQYLSRUSA-N 1 2 362.477 3.236 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000529223708 504591362 /nfs/dbraw/zinc/59/13/62/504591362.db2.gz SIZYEJDLBMOOEL-UHFFFAOYSA-N 1 2 359.433 3.018 20 30 FGEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566405 504611065 /nfs/dbraw/zinc/61/10/65/504611065.db2.gz UPFZIBSOULZKEZ-XJKSGUPXSA-N 1 2 353.388 3.288 20 30 FGEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566405 504611069 /nfs/dbraw/zinc/61/10/69/504611069.db2.gz UPFZIBSOULZKEZ-XJKSGUPXSA-N 1 2 353.388 3.288 20 30 FGEDLO C=CCc1ccc(OCC(=O)NCc2cn3cccc(C)c3[nH+]2)c(OC)c1 ZINC000521056562 504639156 /nfs/dbraw/zinc/63/91/56/504639156.db2.gz QPVDLRDWSVBZDT-UHFFFAOYSA-N 1 2 365.433 3.075 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000521194999 504674140 /nfs/dbraw/zinc/67/41/40/504674140.db2.gz LLIQLZLTBAXKQR-UHFFFAOYSA-N 1 2 359.429 3.470 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000521194999 504674146 /nfs/dbraw/zinc/67/41/46/504674146.db2.gz LLIQLZLTBAXKQR-UHFFFAOYSA-N 1 2 359.429 3.470 20 30 FGEDLO CN1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000532546687 504688220 /nfs/dbraw/zinc/68/82/20/504688220.db2.gz MZPOKSSZQUBTTI-UHFFFAOYSA-N 1 2 354.841 3.102 20 30 FGEDLO CN1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000532546687 504688223 /nfs/dbraw/zinc/68/82/23/504688223.db2.gz MZPOKSSZQUBTTI-UHFFFAOYSA-N 1 2 354.841 3.102 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532647588 504723953 /nfs/dbraw/zinc/72/39/53/504723953.db2.gz LSLXUQKXBFLRLS-ZDUSSCGKSA-N 1 2 363.483 3.002 20 30 FGEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000532647588 504723960 /nfs/dbraw/zinc/72/39/60/504723960.db2.gz LSLXUQKXBFLRLS-ZDUSSCGKSA-N 1 2 363.483 3.002 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000559350512 504843787 /nfs/dbraw/zinc/84/37/87/504843787.db2.gz MZLNVWLLDIMUAT-ZBFHGGJFSA-N 1 2 350.466 3.304 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000559350512 504843790 /nfs/dbraw/zinc/84/37/90/504843790.db2.gz MZLNVWLLDIMUAT-ZBFHGGJFSA-N 1 2 350.466 3.304 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000565308338 504849938 /nfs/dbraw/zinc/84/99/38/504849938.db2.gz UNPQLIFGLMXOIW-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565328122 504855302 /nfs/dbraw/zinc/85/53/02/504855302.db2.gz ZBXDYJISCVABAA-LJQANCHMSA-N 1 2 356.397 3.060 20 30 FGEDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565328122 504855306 /nfs/dbraw/zinc/85/53/06/504855306.db2.gz ZBXDYJISCVABAA-LJQANCHMSA-N 1 2 356.397 3.060 20 30 FGEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549634220 504865160 /nfs/dbraw/zinc/86/51/60/504865160.db2.gz JYGCAUHELTZQSN-UHFFFAOYSA-N 1 2 354.502 3.164 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000563060272 505036523 /nfs/dbraw/zinc/03/65/23/505036523.db2.gz XTKVSTDFPJRBHL-SFHVURJKSA-N 1 2 372.494 3.026 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1C ZINC000563081678 505041869 /nfs/dbraw/zinc/04/18/69/505041869.db2.gz PZTGWIRAICHVCG-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1C ZINC000563081678 505041873 /nfs/dbraw/zinc/04/18/73/505041873.db2.gz PZTGWIRAICHVCG-QGZVFWFLSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000557102548 505065993 /nfs/dbraw/zinc/06/59/93/505065993.db2.gz IVVBEVKPPFUCOL-AUSIDOKSSA-N 1 2 374.484 3.022 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000563218483 505078547 /nfs/dbraw/zinc/07/85/47/505078547.db2.gz ZCHLSOZOYGISRX-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000563218483 505078551 /nfs/dbraw/zinc/07/85/51/505078551.db2.gz ZCHLSOZOYGISRX-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000557587772 505176198 /nfs/dbraw/zinc/17/61/98/505176198.db2.gz QYTCERUZFOORSU-UHFFFAOYSA-N 1 2 365.433 3.235 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC000561116050 505254341 /nfs/dbraw/zinc/25/43/41/505254341.db2.gz OGPSXTSXOOPYEO-LJQANCHMSA-N 1 2 373.416 3.360 20 30 FGEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000554799749 505268175 /nfs/dbraw/zinc/26/81/75/505268175.db2.gz KOAZCAGWMCIBHK-SFHVURJKSA-N 1 2 350.422 3.298 20 30 FGEDLO C=CCn1cccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000554799749 505268177 /nfs/dbraw/zinc/26/81/77/505268177.db2.gz KOAZCAGWMCIBHK-SFHVURJKSA-N 1 2 350.422 3.298 20 30 FGEDLO CC1=C(c2ccco2)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000554836941 505276507 /nfs/dbraw/zinc/27/65/07/505276507.db2.gz CKLWBHKVPSHFJY-INIZCTEOSA-N 1 2 353.447 3.497 20 30 FGEDLO CC1=C(c2ccco2)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000554836941 505276509 /nfs/dbraw/zinc/27/65/09/505276509.db2.gz CKLWBHKVPSHFJY-INIZCTEOSA-N 1 2 353.447 3.497 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000561211354 505282685 /nfs/dbraw/zinc/28/26/85/505282685.db2.gz URUOAXGEGCATRW-OAHLLOKOSA-N 1 2 371.481 3.328 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000561211354 505282690 /nfs/dbraw/zinc/28/26/90/505282690.db2.gz URUOAXGEGCATRW-OAHLLOKOSA-N 1 2 371.481 3.328 20 30 FGEDLO Cc1nc2[nH]ccc2c(N2CCC(Oc3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000561394834 505334833 /nfs/dbraw/zinc/33/48/33/505334833.db2.gz OQSSQYGRZICJIC-UHFFFAOYSA-N 1 2 351.385 3.325 20 30 FGEDLO Cc1nsc(N2CC[NH+](CCSc3ccccc3F)CC2)c1C#N ZINC000558470838 505400586 /nfs/dbraw/zinc/40/05/86/505400586.db2.gz ITECSOSZAXRDMV-UHFFFAOYSA-N 1 2 362.499 3.377 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000564397434 505407570 /nfs/dbraw/zinc/40/75/70/505407570.db2.gz DJIHOGREJMCJMV-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000564397434 505407572 /nfs/dbraw/zinc/40/75/72/505407572.db2.gz DJIHOGREJMCJMV-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000558571970 505426950 /nfs/dbraw/zinc/42/69/50/505426950.db2.gz QIFVJVGAOREBCB-UHFFFAOYSA-N 1 2 354.479 3.210 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000552270747 505446378 /nfs/dbraw/zinc/44/63/78/505446378.db2.gz BEBKOLZILSFKDF-MSOLQXFVSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000552270747 505446383 /nfs/dbraw/zinc/44/63/83/505446383.db2.gz BEBKOLZILSFKDF-MSOLQXFVSA-N 1 2 357.454 3.073 20 30 FGEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000561875778 505456815 /nfs/dbraw/zinc/45/68/15/505456815.db2.gz OJCJKKWZCHJFIJ-UHFFFAOYSA-N 1 2 371.506 3.340 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1Cl ZINC000561895475 505462295 /nfs/dbraw/zinc/46/22/95/505462295.db2.gz ZDJFZWJBVBNAMV-UHFFFAOYSA-N 1 2 370.678 3.097 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1Cl ZINC000561895475 505462299 /nfs/dbraw/zinc/46/22/99/505462299.db2.gz ZDJFZWJBVBNAMV-UHFFFAOYSA-N 1 2 370.678 3.097 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)N=c1ncn(C2CCCCC2)[nH]1)C(C)C ZINC000567523098 505487024 /nfs/dbraw/zinc/48/70/24/505487024.db2.gz KWGNRACLPPHSHP-GOSISDBHSA-N 1 2 374.533 3.025 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)N=c1ncn(C2CCCCC2)[nH]1)C(C)C ZINC000567523099 505487422 /nfs/dbraw/zinc/48/74/22/505487422.db2.gz KWGNRACLPPHSHP-SFHVURJKSA-N 1 2 374.533 3.025 20 30 FGEDLO C[C@](C#N)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000555903748 505536913 /nfs/dbraw/zinc/53/69/13/505536913.db2.gz CKZFPLRNXRAEEX-LJQANCHMSA-N 1 2 367.409 3.373 20 30 FGEDLO COc1cccc(Oc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)c1 ZINC000567702012 505541737 /nfs/dbraw/zinc/54/17/37/505541737.db2.gz QWNJHUFPGNCZJO-QGZVFWFLSA-N 1 2 355.438 3.106 20 30 FGEDLO COc1cccc(Oc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)c1 ZINC000567702012 505541740 /nfs/dbraw/zinc/54/17/40/505541740.db2.gz QWNJHUFPGNCZJO-QGZVFWFLSA-N 1 2 355.438 3.106 20 30 FGEDLO CCOc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000612121597 506448840 /nfs/dbraw/zinc/44/88/40/506448840.db2.gz IKRYQIWOPFLFBZ-LJQANCHMSA-N 1 2 354.429 3.002 20 30 FGEDLO N#Cc1ccc(C[S@@](=O)Cc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000593201752 506461289 /nfs/dbraw/zinc/46/12/89/506461289.db2.gz CVAPPFFMVNWONP-HSZRJFAPSA-N 1 2 361.776 3.419 20 30 FGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(CC2(C#N)CCOCC2)n1 ZINC000596593341 506479442 /nfs/dbraw/zinc/47/94/42/506479442.db2.gz QWLOLDFUOFSZMK-UHFFFAOYSA-N 1 2 365.437 3.454 20 30 FGEDLO C[C@@]1(C#N)CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000612306397 506521108 /nfs/dbraw/zinc/52/11/08/506521108.db2.gz FPECYQJJMTXEHW-IBGZPJMESA-N 1 2 353.426 3.120 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC2(C#N)CCCCC2)cc1 ZINC000596672927 506524796 /nfs/dbraw/zinc/52/47/96/506524796.db2.gz GAFBOVDNROBYQV-HXUWFJFHSA-N 1 2 369.509 3.349 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646535 506550018 /nfs/dbraw/zinc/55/00/18/506550018.db2.gz LGMSPKKJANINHA-ZGOJQLDESA-N 1 2 355.482 3.070 20 30 FGEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646535 506550024 /nfs/dbraw/zinc/55/00/24/506550024.db2.gz LGMSPKKJANINHA-ZGOJQLDESA-N 1 2 355.482 3.070 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(O)cccc3C2)c1C ZINC000599649119 506550714 /nfs/dbraw/zinc/55/07/14/506550714.db2.gz XWGJMNGVCSPKGI-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3c(O)cccc3C2)c1C ZINC000599649119 506550724 /nfs/dbraw/zinc/55/07/24/506550724.db2.gz XWGJMNGVCSPKGI-UHFFFAOYSA-N 1 2 363.461 3.314 20 30 FGEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000612406858 506567377 /nfs/dbraw/zinc/56/73/77/506567377.db2.gz VOLQZHXNQJDXGV-KKSFZXQISA-N 1 2 373.497 3.066 20 30 FGEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000612406858 506567381 /nfs/dbraw/zinc/56/73/81/506567381.db2.gz VOLQZHXNQJDXGV-KKSFZXQISA-N 1 2 373.497 3.066 20 30 FGEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603691341 506598200 /nfs/dbraw/zinc/59/82/00/506598200.db2.gz CPLDRBQUCIHWJY-AWEZNQCLSA-N 1 2 362.393 3.152 20 30 FGEDLO Cc1cccc([C@@H](CNC(=O)CC2(C#N)CCCCC2)[NH+]2CCOCC2)c1 ZINC000596793827 506602867 /nfs/dbraw/zinc/60/28/67/506602867.db2.gz LWWWUOGBRIJSKX-HXUWFJFHSA-N 1 2 369.509 3.349 20 30 FGEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCC1 ZINC000593429924 506616103 /nfs/dbraw/zinc/61/61/03/506616103.db2.gz MEUBXCSSCRCMPH-RBUKOAKNSA-N 1 2 363.465 3.495 20 30 FGEDLO C=CCN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000600009071 506745618 /nfs/dbraw/zinc/74/56/18/506745618.db2.gz BUBFQFRKKMLANN-UHFFFAOYSA-N 1 2 350.462 3.347 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000609096596 506774055 /nfs/dbraw/zinc/77/40/55/506774055.db2.gz QZCPBXFXNYZPIY-FQEVSTJZSA-N 1 2 357.417 3.351 20 30 FGEDLO C[C@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000597150227 506801157 /nfs/dbraw/zinc/80/11/57/506801157.db2.gz XSGGXQKHRCGSAD-PBHICJAKSA-N 1 2 363.889 3.158 20 30 FGEDLO C[C@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000597150227 506801160 /nfs/dbraw/zinc/80/11/60/506801160.db2.gz XSGGXQKHRCGSAD-PBHICJAKSA-N 1 2 363.889 3.158 20 30 FGEDLO C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000597150240 506801449 /nfs/dbraw/zinc/80/14/49/506801449.db2.gz XSGGXQKHRCGSAD-YOEHRIQHSA-N 1 2 363.889 3.158 20 30 FGEDLO C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000597150240 506801457 /nfs/dbraw/zinc/80/14/57/506801457.db2.gz XSGGXQKHRCGSAD-YOEHRIQHSA-N 1 2 363.889 3.158 20 30 FGEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000597183568 506819894 /nfs/dbraw/zinc/81/98/94/506819894.db2.gz LKDFSMCMURGPEG-UHFFFAOYSA-N 1 2 353.451 3.234 20 30 FGEDLO C=CC1CC[NH+](CC(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 ZINC000609540542 506914030 /nfs/dbraw/zinc/91/40/30/506914030.db2.gz JKYAYQDMDCEFKP-UHFFFAOYSA-N 1 2 350.484 3.324 20 30 FGEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000609706105 506979357 /nfs/dbraw/zinc/97/93/57/506979357.db2.gz XNZFAIIRPXTHDX-HXUWFJFHSA-N 1 2 365.502 3.273 20 30 FGEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000609706105 506979365 /nfs/dbraw/zinc/97/93/65/506979365.db2.gz XNZFAIIRPXTHDX-HXUWFJFHSA-N 1 2 365.502 3.273 20 30 FGEDLO N#CCC1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000590828012 506985198 /nfs/dbraw/zinc/98/51/98/506985198.db2.gz KLNUKXDRJRGPDT-UHFFFAOYSA-N 1 2 357.845 3.361 20 30 FGEDLO C=CCOc1ccc(Br)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000583881513 507028236 /nfs/dbraw/zinc/02/82/36/507028236.db2.gz DEYXRPWTVBDHQT-UHFFFAOYSA-N 1 2 353.260 3.294 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)NCCCNc3cccc[nH+]3)cc2)nc1 ZINC000609884404 507036571 /nfs/dbraw/zinc/03/65/71/507036571.db2.gz XAJDSTHDQXPTSM-UHFFFAOYSA-N 1 2 373.416 3.373 20 30 FGEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677919 507060192 /nfs/dbraw/zinc/06/01/92/507060192.db2.gz DFSQFEBWMZFJFF-UHFFFAOYSA-N 1 2 358.445 3.306 20 30 FGEDLO N#CC1(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCCCC1 ZINC000600678273 507062353 /nfs/dbraw/zinc/06/23/53/507062353.db2.gz HTSWSGSDRHJZPD-UHFFFAOYSA-N 1 2 350.466 3.286 20 30 FGEDLO C[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609986213 507062358 /nfs/dbraw/zinc/06/23/58/507062358.db2.gz ZRRXOBBYEIKMFX-QGZVFWFLSA-N 1 2 365.452 3.220 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C(=O)c1cscn1 ZINC000590962155 507062618 /nfs/dbraw/zinc/06/26/18/507062618.db2.gz XAZOJOSTLCMZNN-HNNXBMFYSA-N 1 2 368.506 3.291 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C(=O)c1cscn1 ZINC000590962155 507062623 /nfs/dbraw/zinc/06/26/23/507062623.db2.gz XAZOJOSTLCMZNN-HNNXBMFYSA-N 1 2 368.506 3.291 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000594536690 507176738 /nfs/dbraw/zinc/17/67/38/507176738.db2.gz GOVLPCULERMKKS-ZTFGCOKTSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000594536690 507176749 /nfs/dbraw/zinc/17/67/49/507176749.db2.gz GOVLPCULERMKKS-ZTFGCOKTSA-N 1 2 352.438 3.213 20 30 FGEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597998767 507211495 /nfs/dbraw/zinc/21/14/95/507211495.db2.gz QTPPGAFRGHSSPC-SJORKVTESA-N 1 2 363.461 3.064 20 30 FGEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597998767 507211503 /nfs/dbraw/zinc/21/15/03/507211503.db2.gz QTPPGAFRGHSSPC-SJORKVTESA-N 1 2 363.461 3.064 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCCO[C@@H](c3ccccc3)C2)C1=O ZINC000610581912 507302377 /nfs/dbraw/zinc/30/23/77/507302377.db2.gz SODDSRSZDKXPKW-ZWKOTPCHSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCCO[C@@H](c3ccccc3)C2)C1=O ZINC000610581912 507302382 /nfs/dbraw/zinc/30/23/82/507302382.db2.gz SODDSRSZDKXPKW-ZWKOTPCHSA-N 1 2 367.474 3.189 20 30 FGEDLO N#Cc1cc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)ccc1F ZINC000610719757 507363895 /nfs/dbraw/zinc/36/38/95/507363895.db2.gz GUYYUGFSZNHHAV-HXUWFJFHSA-N 1 2 373.859 3.202 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000584622715 507432814 /nfs/dbraw/zinc/43/28/14/507432814.db2.gz QUNPREDOYNCFLR-LJQANCHMSA-N 1 2 356.857 3.339 20 30 FGEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cc2c(cc1Br)OCCO2 ZINC000592091638 507479114 /nfs/dbraw/zinc/47/91/14/507479114.db2.gz ABFQENOVVADVEG-LLVKDONJSA-N 1 2 374.238 3.338 20 30 FGEDLO N#Cc1ccc(CC[N@@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000595396869 507480227 /nfs/dbraw/zinc/48/02/27/507480227.db2.gz SYWRVLAZKUMGTP-SFHVURJKSA-N 1 2 373.378 3.293 20 30 FGEDLO N#Cc1ccc(CC[N@H+]2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000595396869 507480234 /nfs/dbraw/zinc/48/02/34/507480234.db2.gz SYWRVLAZKUMGTP-SFHVURJKSA-N 1 2 373.378 3.293 20 30 FGEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)cc1 ZINC000611012099 507481855 /nfs/dbraw/zinc/48/18/55/507481855.db2.gz GDJCIECRBVMZLN-HNNXBMFYSA-N 1 2 359.389 3.143 20 30 FGEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146448 507509037 /nfs/dbraw/zinc/50/90/37/507509037.db2.gz HTIOJSOULMXDLQ-BDJLRTHQSA-N 1 2 366.343 3.167 20 30 FGEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146448 507509043 /nfs/dbraw/zinc/50/90/43/507509043.db2.gz HTIOJSOULMXDLQ-BDJLRTHQSA-N 1 2 366.343 3.167 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000598592936 507510729 /nfs/dbraw/zinc/51/07/29/507510729.db2.gz NYUSZXZGFJTICC-CYBMUJFWSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000598592936 507510732 /nfs/dbraw/zinc/51/07/32/507510732.db2.gz NYUSZXZGFJTICC-CYBMUJFWSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000592157119 507512483 /nfs/dbraw/zinc/51/24/83/507512483.db2.gz MFMYAPMLCZUDEJ-UHFFFAOYSA-N 1 2 363.483 3.002 20 30 FGEDLO C[C@@H](C#N)CN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C1CC1 ZINC000611095377 507514900 /nfs/dbraw/zinc/51/49/00/507514900.db2.gz WXBNHSRIHNMWOV-HOTGVXAUSA-N 1 2 356.470 3.236 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000598604361 507516062 /nfs/dbraw/zinc/51/60/62/507516062.db2.gz LTRVGATUAIAAEW-ZDUSSCGKSA-N 1 2 356.297 3.416 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C(F)(F)F)c1 ZINC000595477403 507518995 /nfs/dbraw/zinc/51/89/95/507518995.db2.gz XJQZCRDAXFQSLT-GFCCVEGCSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C(F)(F)F)c1 ZINC000595477403 507519000 /nfs/dbraw/zinc/51/90/00/507519000.db2.gz XJQZCRDAXFQSLT-GFCCVEGCSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)c1 ZINC000595477403 507519005 /nfs/dbraw/zinc/51/90/05/507519005.db2.gz XJQZCRDAXFQSLT-GFCCVEGCSA-N 1 2 352.316 3.045 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)c1 ZINC000595477403 507519009 /nfs/dbraw/zinc/51/90/09/507519009.db2.gz XJQZCRDAXFQSLT-GFCCVEGCSA-N 1 2 352.316 3.045 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520171 507541627 /nfs/dbraw/zinc/54/16/27/507541627.db2.gz YRGDPYYOJUVVAQ-STQMWFEESA-N 1 2 361.877 3.217 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520171 507541635 /nfs/dbraw/zinc/54/16/35/507541635.db2.gz YRGDPYYOJUVVAQ-STQMWFEESA-N 1 2 361.877 3.217 20 30 FGEDLO N#CCCN1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000611175019 507545895 /nfs/dbraw/zinc/54/58/95/507545895.db2.gz VIPTUBWPUIRPDR-UHFFFAOYSA-N 1 2 372.694 3.013 20 30 FGEDLO N#CCCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)cc1 ZINC000602097003 507590120 /nfs/dbraw/zinc/59/01/20/507590120.db2.gz PSJMQXRETVQSHG-AWEZNQCLSA-N 1 2 354.307 3.463 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000602129592 507602908 /nfs/dbraw/zinc/60/29/08/507602908.db2.gz QZMKQTMKTZQRAO-SFTDATJTSA-N 1 2 363.461 3.431 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000602129592 507602912 /nfs/dbraw/zinc/60/29/12/507602912.db2.gz QZMKQTMKTZQRAO-SFTDATJTSA-N 1 2 363.461 3.431 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000595639625 507608597 /nfs/dbraw/zinc/60/85/97/507608597.db2.gz ZLGXVNFVUUTQCU-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665009 507609569 /nfs/dbraw/zinc/60/95/69/507609569.db2.gz KLWFURGRAYFCQA-MJGOQNOKSA-N 1 2 368.481 3.148 20 30 FGEDLO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccccc1 ZINC000614665009 507609575 /nfs/dbraw/zinc/60/95/75/507609575.db2.gz KLWFURGRAYFCQA-MJGOQNOKSA-N 1 2 368.481 3.148 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000595645073 507610834 /nfs/dbraw/zinc/61/08/34/507610834.db2.gz FBVQKUBSNCNOHI-AWEZNQCLSA-N 1 2 357.845 3.361 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1C#N ZINC000611347831 507632068 /nfs/dbraw/zinc/63/20/68/507632068.db2.gz JZCSFGICXZMWJV-FQEVSTJZSA-N 1 2 360.465 3.431 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1C#N ZINC000611347831 507632074 /nfs/dbraw/zinc/63/20/74/507632074.db2.gz JZCSFGICXZMWJV-FQEVSTJZSA-N 1 2 360.465 3.431 20 30 FGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595711679 507643468 /nfs/dbraw/zinc/64/34/68/507643468.db2.gz CDHGVLYICMEUIS-IBGZPJMESA-N 1 2 361.449 3.040 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000595723288 507648370 /nfs/dbraw/zinc/64/83/70/507648370.db2.gz VBXOWUGBJDHBQV-MRXNPFEDSA-N 1 2 362.474 3.257 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1F ZINC000595751804 507666670 /nfs/dbraw/zinc/66/66/70/507666670.db2.gz HJOGPOUAJQMKSE-LJQANCHMSA-N 1 2 367.424 3.159 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1F ZINC000595751804 507666676 /nfs/dbraw/zinc/66/66/76/507666676.db2.gz HJOGPOUAJQMKSE-LJQANCHMSA-N 1 2 367.424 3.159 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccn1 ZINC000586772781 507666969 /nfs/dbraw/zinc/66/69/69/507666969.db2.gz YXZIHSFMNJDURG-HXUWFJFHSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccn1 ZINC000586772781 507666976 /nfs/dbraw/zinc/66/69/76/507666976.db2.gz YXZIHSFMNJDURG-HXUWFJFHSA-N 1 2 362.477 3.057 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000595758215 507670837 /nfs/dbraw/zinc/67/08/37/507670837.db2.gz DGSYCMAVRQSXLL-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000595758215 507670840 /nfs/dbraw/zinc/67/08/40/507670840.db2.gz DGSYCMAVRQSXLL-UHFFFAOYSA-N 1 2 355.825 3.217 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779429 507680578 /nfs/dbraw/zinc/68/05/78/507680578.db2.gz AFXCJEYXTZIHHE-OAGGEKHMSA-N 1 2 361.511 3.376 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779429 507680582 /nfs/dbraw/zinc/68/05/82/507680582.db2.gz AFXCJEYXTZIHHE-OAGGEKHMSA-N 1 2 361.511 3.376 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1C#N ZINC000595821285 507700286 /nfs/dbraw/zinc/70/02/86/507700286.db2.gz CMKUZNKHJRNVQK-UHFFFAOYSA-N 1 2 362.477 3.443 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1C#N ZINC000595821285 507700292 /nfs/dbraw/zinc/70/02/92/507700292.db2.gz CMKUZNKHJRNVQK-UHFFFAOYSA-N 1 2 362.477 3.443 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830661 507705384 /nfs/dbraw/zinc/70/53/84/507705384.db2.gz GWCXVWYSLHWOPV-QGZVFWFLSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830661 507705389 /nfs/dbraw/zinc/70/53/89/507705389.db2.gz GWCXVWYSLHWOPV-QGZVFWFLSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC2)c1 ZINC000602433743 507711571 /nfs/dbraw/zinc/71/15/71/507711571.db2.gz BYHDEAJIUVDKJM-UHFFFAOYSA-N 1 2 365.387 3.102 20 30 FGEDLO COc1ccccc1OCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551598 507733719 /nfs/dbraw/zinc/73/37/19/507733719.db2.gz MWJCLMXLRDPNJR-IBGZPJMESA-N 1 2 369.440 3.096 20 30 FGEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000611552826 507735054 /nfs/dbraw/zinc/73/50/54/507735054.db2.gz MGVKWBDXISJMQF-GOSISDBHSA-N 1 2 350.397 3.349 20 30 FGEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)Cc1cccc(C#N)c1 ZINC000737407567 599270203 /nfs/dbraw/zinc/27/02/03/599270203.db2.gz CSJNCLOOPUUOGS-UHFFFAOYSA-N 1 2 355.405 3.231 20 30 FGEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1ccccc1Cl ZINC000106067406 700506696 /nfs/dbraw/zinc/50/66/96/700506696.db2.gz ALIQGFIFMHXLON-UHFFFAOYSA-N 1 2 352.221 3.463 20 30 FGEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067400 700506802 /nfs/dbraw/zinc/50/68/02/700506802.db2.gz KJLBBYFMTWQXLN-UHFFFAOYSA-N 1 2 361.829 3.127 20 30 FGEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1ccc(F)cc1F ZINC000106067350 700506822 /nfs/dbraw/zinc/50/68/22/700506822.db2.gz PUCQHRBEFTWBPF-UHFFFAOYSA-N 1 2 353.756 3.088 20 30 FGEDLO C=C(Br)C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000116402125 700593223 /nfs/dbraw/zinc/59/32/23/700593223.db2.gz ZAKVQRNQGSHNDN-GFCCVEGCSA-N 1 2 368.193 3.286 20 30 FGEDLO C=C(Br)C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000116402125 700593226 /nfs/dbraw/zinc/59/32/26/700593226.db2.gz ZAKVQRNQGSHNDN-GFCCVEGCSA-N 1 2 368.193 3.286 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161893283 705285468 /nfs/dbraw/zinc/28/54/68/705285468.db2.gz ICSMPTRDIXJWOV-OAHLLOKOSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000161893283 705285470 /nfs/dbraw/zinc/28/54/70/705285470.db2.gz ICSMPTRDIXJWOV-OAHLLOKOSA-N 1 2 358.515 3.383 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000186317112 712715046 /nfs/dbraw/zinc/71/50/46/712715046.db2.gz AYFUHKUGNVLMGY-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000186317112 712715047 /nfs/dbraw/zinc/71/50/47/712715047.db2.gz AYFUHKUGNVLMGY-KRWDZBQOSA-N 1 2 372.266 3.288 20 30 FGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(S(C)(=O)=O)c(F)c3)n2c1 ZINC000255479424 713697203 /nfs/dbraw/zinc/69/72/03/713697203.db2.gz INBBUIYJLBFLPP-WAYWQWQTSA-N 1 2 358.394 3.081 20 30 FGEDLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329226504 713828307 /nfs/dbraw/zinc/82/83/07/713828307.db2.gz ALANJNDFRWNFJU-CABCVRRESA-N 1 2 367.852 3.193 20 30 FGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000521743315 714145498 /nfs/dbraw/zinc/14/54/98/714145498.db2.gz PCRLJXSCGAYVHN-GFCCVEGCSA-N 1 2 370.234 3.270 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619462601 714838863 /nfs/dbraw/zinc/83/88/63/714838863.db2.gz QNRYQQPSZDJGFI-UHFFFAOYSA-N 1 2 355.463 3.279 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619462601 714838866 /nfs/dbraw/zinc/83/88/66/714838866.db2.gz QNRYQQPSZDJGFI-UHFFFAOYSA-N 1 2 355.463 3.279 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)s1 ZINC000619695779 714862892 /nfs/dbraw/zinc/86/28/92/714862892.db2.gz GKLPOHYHUAWHRN-UHFFFAOYSA-N 1 2 367.400 3.059 20 30 FGEDLO CCCCCCC[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804940796 724567237 /nfs/dbraw/zinc/56/72/37/724567237.db2.gz YEVSQPNNCIBAAS-GBESFXJTSA-N 1 2 353.551 3.488 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncccn2)cc1OC ZINC000657734968 719702560 /nfs/dbraw/zinc/70/25/60/719702560.db2.gz YFDQIYZWBBUIRV-UHFFFAOYSA-N 1 2 364.243 3.102 20 30 FGEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660950321 720151209 /nfs/dbraw/zinc/15/12/09/720151209.db2.gz ORVRHOCUMQZFNT-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO C=CCOCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660950321 720151210 /nfs/dbraw/zinc/15/12/10/720151210.db2.gz ORVRHOCUMQZFNT-DLBZAZTESA-N 1 2 369.868 3.116 20 30 FGEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1 ZINC000782947528 724711399 /nfs/dbraw/zinc/71/13/99/724711399.db2.gz AQZRJXMXAFAWDK-UHFFFAOYSA-N 1 2 373.210 3.336 20 30 FGEDLO NC(=[NH+]OCc1cccc2c1OCCO2)c1ccc(Br)cc1 ZINC000782949505 724711759 /nfs/dbraw/zinc/71/17/59/724711759.db2.gz IPXDOMGPQLEGBL-UHFFFAOYSA-N 1 2 363.211 3.057 20 30 FGEDLO CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783707881 724780099 /nfs/dbraw/zinc/78/00/99/724780099.db2.gz TZGZAWKCAYBUQX-WAYWQWQTSA-N 1 2 373.459 3.201 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000677898567 721923335 /nfs/dbraw/zinc/92/33/35/721923335.db2.gz KNEAKFBVUHROKY-HNNXBMFYSA-N 1 2 359.495 3.187 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000677898567 721923336 /nfs/dbraw/zinc/92/33/36/721923336.db2.gz KNEAKFBVUHROKY-HNNXBMFYSA-N 1 2 359.495 3.187 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678655214 721971633 /nfs/dbraw/zinc/97/16/33/721971633.db2.gz GRSHVZRKRMYDCX-AEFFLSMTSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678655214 721971635 /nfs/dbraw/zinc/97/16/35/721971635.db2.gz GRSHVZRKRMYDCX-AEFFLSMTSA-N 1 2 354.853 3.323 20 30 FGEDLO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000683009865 722277411 /nfs/dbraw/zinc/27/74/11/722277411.db2.gz UUXOZFPDDFAHLK-NRFANRHFSA-N 1 2 354.881 3.043 20 30 FGEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C(C)C ZINC000728899370 722455277 /nfs/dbraw/zinc/45/52/77/722455277.db2.gz SOPMRHGIYWCAQJ-KRWDZBQOSA-N 1 2 353.825 3.100 20 30 FGEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O)C(C)C ZINC000728899370 722455278 /nfs/dbraw/zinc/45/52/78/722455278.db2.gz SOPMRHGIYWCAQJ-KRWDZBQOSA-N 1 2 353.825 3.100 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1cccs1 ZINC000729810421 722462687 /nfs/dbraw/zinc/46/26/87/722462687.db2.gz XTDMMSJLHYYVIR-HNNXBMFYSA-N 1 2 353.443 3.234 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1cccs1 ZINC000729810421 722462688 /nfs/dbraw/zinc/46/26/88/722462688.db2.gz XTDMMSJLHYYVIR-HNNXBMFYSA-N 1 2 353.443 3.234 20 30 FGEDLO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392122 722727122 /nfs/dbraw/zinc/72/71/22/722727122.db2.gz RHNVELDSRZZQHH-NSHDSACASA-N 1 2 372.284 3.296 20 30 FGEDLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392122 722727123 /nfs/dbraw/zinc/72/71/23/722727123.db2.gz RHNVELDSRZZQHH-NSHDSACASA-N 1 2 372.284 3.296 20 30 FGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Cl)cc1Cl ZINC000755562510 722954500 /nfs/dbraw/zinc/95/45/00/722954500.db2.gz JWZFJBWAXNLTKJ-UHFFFAOYSA-N 1 2 368.268 3.318 20 30 FGEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Cl)c(Cl)c1 ZINC000755631814 722955222 /nfs/dbraw/zinc/95/52/22/722955222.db2.gz ADYPUBZXAVMCGU-UHFFFAOYSA-N 1 2 368.268 3.318 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cn1 ZINC000791051896 723208534 /nfs/dbraw/zinc/20/85/34/723208534.db2.gz LRNXMEUKZOJTMW-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000791451161 723245279 /nfs/dbraw/zinc/24/52/79/723245279.db2.gz LEGNQNQJRASHRI-UHFFFAOYSA-N 1 2 356.491 3.385 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000791451161 723245282 /nfs/dbraw/zinc/24/52/82/723245282.db2.gz LEGNQNQJRASHRI-UHFFFAOYSA-N 1 2 356.491 3.385 20 30 FGEDLO C#CCN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000764728049 723440502 /nfs/dbraw/zinc/44/05/02/723440502.db2.gz MWYPTGLJEPUVQX-INIZCTEOSA-N 1 2 363.864 3.251 20 30 FGEDLO C#CCN(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000764728049 723440506 /nfs/dbraw/zinc/44/05/06/723440506.db2.gz MWYPTGLJEPUVQX-INIZCTEOSA-N 1 2 363.864 3.251 20 30 FGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCC(=O)N2 ZINC000794726241 723543121 /nfs/dbraw/zinc/54/31/21/723543121.db2.gz TUAIVICSYCLANZ-HWKANZROSA-N 1 2 353.765 3.215 20 30 FGEDLO Cc1cc[nH+]c(N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)c1 ZINC000766159626 723558726 /nfs/dbraw/zinc/55/87/26/723558726.db2.gz JURWYKUEWADVRG-UHFFFAOYSA-N 1 2 356.857 3.268 20 30 FGEDLO COC[C@@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940170 723640703 /nfs/dbraw/zinc/64/07/03/723640703.db2.gz HGTZGNMBQGWNPQ-HUUCEWRRSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940170 723640706 /nfs/dbraw/zinc/64/07/06/723640706.db2.gz HGTZGNMBQGWNPQ-HUUCEWRRSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940169 723640735 /nfs/dbraw/zinc/64/07/35/723640735.db2.gz HGTZGNMBQGWNPQ-GJZGRUSLSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940169 723640736 /nfs/dbraw/zinc/64/07/36/723640736.db2.gz HGTZGNMBQGWNPQ-GJZGRUSLSA-N 1 2 357.479 3.221 20 30 FGEDLO C=CCn1nnn(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1=S ZINC000774609639 723910262 /nfs/dbraw/zinc/91/02/62/723910262.db2.gz OUEFQTMDHVEUNO-INIZCTEOSA-N 1 2 358.515 3.383 20 30 FGEDLO C=CCn1nnn(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1=S ZINC000774609639 723910263 /nfs/dbraw/zinc/91/02/63/723910263.db2.gz OUEFQTMDHVEUNO-INIZCTEOSA-N 1 2 358.515 3.383 20 30 FGEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544172 723941481 /nfs/dbraw/zinc/94/14/81/723941481.db2.gz FDOIOBDQGIGLHW-YESZJQIVSA-N 1 2 351.853 3.181 20 30 FGEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544172 723941484 /nfs/dbraw/zinc/94/14/84/723941484.db2.gz FDOIOBDQGIGLHW-YESZJQIVSA-N 1 2 351.853 3.181 20 30 FGEDLO N#Cc1ccc(OS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000799818134 724100160 /nfs/dbraw/zinc/10/01/60/724100160.db2.gz URXSZTRRVAUYIZ-UHFFFAOYSA-N 1 2 373.821 3.224 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000778159522 724305193 /nfs/dbraw/zinc/30/51/93/724305193.db2.gz ZIAPNFIXQIXQHA-UHFFFAOYSA-N 1 2 356.853 3.100 20 30 FGEDLO N#Cc1ccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000788334306 725058651 /nfs/dbraw/zinc/05/86/51/725058651.db2.gz UZTMXJLDFUXLQL-OAHLLOKOSA-N 1 2 358.854 3.457 20 30 FGEDLO OC[C@H](N[NH+]=Cc1sc(N2CCCC2)nc1Cl)c1ccccc1 ZINC000788459013 725065777 /nfs/dbraw/zinc/06/57/77/725065777.db2.gz ASFOKCHRKKGOKG-ZDUSSCGKSA-N 1 2 350.875 3.054 20 30 FGEDLO Brc1ccc(C=[NH+]O[C@@H]2CCCCO2)c(N2CCOCC2)c1 ZINC000788722316 725083561 /nfs/dbraw/zinc/08/35/61/725083561.db2.gz OSBRNPHXYZFDNZ-MRXNPFEDSA-N 1 2 369.259 3.163 20 30 FGEDLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccc(C#N)cc3)CC2)cs1 ZINC000805878068 725101808 /nfs/dbraw/zinc/10/18/08/725101808.db2.gz YUCOSVGUHBJPDL-UHFFFAOYSA-N 1 2 355.463 3.279 20 30 FGEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529376 725312748 /nfs/dbraw/zinc/31/27/48/725312748.db2.gz FGYOAVYFKBWUOJ-SGTLLEGYSA-N 1 2 365.836 3.200 20 30 FGEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000810529376 725312749 /nfs/dbraw/zinc/31/27/49/725312749.db2.gz FGYOAVYFKBWUOJ-SGTLLEGYSA-N 1 2 365.836 3.200 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccnc(Br)c2)CC1 ZINC000815016894 727019805 /nfs/dbraw/zinc/01/98/05/727019805.db2.gz BYCRQNGJBWARLJ-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccnc(Br)c2)CC1 ZINC000815016894 727019809 /nfs/dbraw/zinc/01/98/09/727019809.db2.gz BYCRQNGJBWARLJ-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000826724923 729413299 /nfs/dbraw/zinc/41/32/99/729413299.db2.gz RYXICFIEJMZBMM-IBGZPJMESA-N 1 2 351.475 3.094 20 30 FGEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000826724923 729413300 /nfs/dbraw/zinc/41/33/00/729413300.db2.gz RYXICFIEJMZBMM-IBGZPJMESA-N 1 2 351.475 3.094 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000842630153 730522250 /nfs/dbraw/zinc/52/22/50/730522250.db2.gz YLVXHPVNAGFUIZ-MRXNPFEDSA-N 1 2 356.495 3.223 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(C)c2=S)C1 ZINC000842630153 730522252 /nfs/dbraw/zinc/52/22/52/730522252.db2.gz YLVXHPVNAGFUIZ-MRXNPFEDSA-N 1 2 356.495 3.223 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343470 731048297 /nfs/dbraw/zinc/04/82/97/731048297.db2.gz VFUKXXRLWBWPOY-XWIAVFTESA-N 1 2 363.864 3.279 20 30 FGEDLO C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000847343470 731048298 /nfs/dbraw/zinc/04/82/98/731048298.db2.gz VFUKXXRLWBWPOY-XWIAVFTESA-N 1 2 363.864 3.279 20 30 FGEDLO Fc1cc(Br)cc2c1CCC2=NNCCCn1cc[nH+]c1 ZINC000848419110 731162270 /nfs/dbraw/zinc/16/22/70/731162270.db2.gz YVKXMLKJOJABGR-UHFFFAOYSA-N 1 2 351.223 3.115 20 30 FGEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000848719438 731201789 /nfs/dbraw/zinc/20/17/89/731201789.db2.gz FHRLQHRYBILXHP-UHFFFAOYSA-N 1 2 354.233 3.065 20 30 FGEDLO Cc1nc2sc3c(c2c(N=NCc2c[nH+]c4n2CCC4)n1)CCCC3 ZINC000853267592 731690036 /nfs/dbraw/zinc/69/00/36/731690036.db2.gz VSXBXRYXGDBFLL-UHFFFAOYSA-N 1 2 352.467 3.467 20 30 FGEDLO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866309450 733335146 /nfs/dbraw/zinc/33/51/46/733335146.db2.gz GPANVSIGNDSMIU-GDBMZVCRSA-N 1 2 358.463 3.167 20 30 FGEDLO Cc1nn(C)c2nc(Cl)cc(N[NH+]=C3CCCc4nc(N)ccc43)c12 ZINC000872422275 735627800 /nfs/dbraw/zinc/62/78/00/735627800.db2.gz KBTRNOYMDMPLNZ-UHFFFAOYSA-N 1 2 355.833 3.060 20 30 FGEDLO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007639 737097861 /nfs/dbraw/zinc/09/78/61/737097861.db2.gz KQXNJFYNODSDSW-JSGCOSHPSA-N 1 2 358.467 3.350 20 30 FGEDLO Cc1csc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007639 737097867 /nfs/dbraw/zinc/09/78/67/737097867.db2.gz KQXNJFYNODSDSW-JSGCOSHPSA-N 1 2 358.467 3.350 20 30 FGEDLO C=CCC1(O)CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000887199585 739341534 /nfs/dbraw/zinc/34/15/34/739341534.db2.gz FCUKWVXQPGLEKP-UHFFFAOYSA-N 1 2 364.515 3.064 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000896653699 742577919 /nfs/dbraw/zinc/57/79/19/742577919.db2.gz IUUTUXIAGFPPTB-INIZCTEOSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cncc(Br)c3)C2)nc1 ZINC000896653699 742577923 /nfs/dbraw/zinc/57/79/23/742577923.db2.gz IUUTUXIAGFPPTB-INIZCTEOSA-N 1 2 372.270 3.187 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+]CC(=O)N2CCCCc3ccccc32)c1 ZINC000896925426 742616419 /nfs/dbraw/zinc/61/64/19/742616419.db2.gz GVGCYKHYRSEAAG-UHFFFAOYSA-N 1 2 354.841 3.066 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940901378 762168077 /nfs/dbraw/zinc/16/80/77/762168077.db2.gz NLEOGRAKGMUTCQ-JKIFEVAISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940901378 762168085 /nfs/dbraw/zinc/16/80/85/762168085.db2.gz NLEOGRAKGMUTCQ-JKIFEVAISA-N 1 2 355.320 3.302 20 30 FGEDLO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cccc(C#N)c1O ZINC000924886049 759410789 /nfs/dbraw/zinc/41/07/89/759410789.db2.gz RDNNAHYGZUFUSC-SFHVURJKSA-N 1 2 358.463 3.049 20 30 FGEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927268563 759939425 /nfs/dbraw/zinc/93/94/25/759939425.db2.gz ZAGFNQSDYIDRGP-GXSJLCMTSA-N 1 2 373.272 3.270 20 30 FGEDLO Cn1nccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940481 761279661 /nfs/dbraw/zinc/27/96/61/761279661.db2.gz PVLDMJGPXQNXDT-IUCAKERBSA-N 1 2 363.252 3.023 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933646965 761444899 /nfs/dbraw/zinc/44/48/99/761444899.db2.gz SUEMGBRYAQJZSL-UHFFFAOYSA-N 1 2 361.239 3.158 20 30 FGEDLO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653014 761446444 /nfs/dbraw/zinc/44/64/44/761446444.db2.gz AFVYAGIWVVTCOO-CQSZACIVSA-N 1 2 360.479 3.073 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C(C)(C)C1 ZINC000974606129 763035602 /nfs/dbraw/zinc/03/56/02/763035602.db2.gz WCSNUZORTUILDZ-FGTMMUONSA-N 1 2 362.901 3.486 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C(C)(C)C1 ZINC000974606129 763035612 /nfs/dbraw/zinc/03/56/12/763035612.db2.gz WCSNUZORTUILDZ-FGTMMUONSA-N 1 2 362.901 3.486 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000981901716 763533787 /nfs/dbraw/zinc/53/37/87/763533787.db2.gz TXYJKCWVQZSSLL-HOTGVXAUSA-N 1 2 367.331 3.256 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000981901716 763533789 /nfs/dbraw/zinc/53/37/89/763533789.db2.gz TXYJKCWVQZSSLL-HOTGVXAUSA-N 1 2 367.331 3.256 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000981992801 763544740 /nfs/dbraw/zinc/54/47/40/763544740.db2.gz IZLXCJPEFFBLTN-HIFRSBDPSA-N 1 2 354.903 3.027 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000981992801 763544745 /nfs/dbraw/zinc/54/47/45/763544745.db2.gz IZLXCJPEFFBLTN-HIFRSBDPSA-N 1 2 354.903 3.027 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001001253770 765276752 /nfs/dbraw/zinc/27/67/52/765276752.db2.gz BRLHFNNGPHSOEK-RTBURBONSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 ZINC001001253770 765276761 /nfs/dbraw/zinc/27/67/61/765276761.db2.gz BRLHFNNGPHSOEK-RTBURBONSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001008811049 765706831 /nfs/dbraw/zinc/70/68/31/765706831.db2.gz POZFVHRFNXSNSB-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001008811049 765706836 /nfs/dbraw/zinc/70/68/36/765706836.db2.gz POZFVHRFNXSNSB-YCPHGPKFSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001014469316 765783195 /nfs/dbraw/zinc/78/31/95/765783195.db2.gz LNJKLBBQNSEAEU-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001014469316 765783201 /nfs/dbraw/zinc/78/32/01/765783201.db2.gz LNJKLBBQNSEAEU-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001015727274 765800616 /nfs/dbraw/zinc/80/06/16/765800616.db2.gz ZAUJSWJEQIQBRC-UXLLHSPISA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001015727274 765800625 /nfs/dbraw/zinc/80/06/25/765800625.db2.gz ZAUJSWJEQIQBRC-UXLLHSPISA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001015828446 765811135 /nfs/dbraw/zinc/81/11/35/765811135.db2.gz HTZFSYPKLQMBET-NOLJZWGESA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001015828446 765811145 /nfs/dbraw/zinc/81/11/45/765811145.db2.gz HTZFSYPKLQMBET-NOLJZWGESA-N 1 2 354.903 3.073 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015829033 765812142 /nfs/dbraw/zinc/81/21/42/765812142.db2.gz NVZSREPCNYTGRS-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001015829033 765812149 /nfs/dbraw/zinc/81/21/49/765812149.db2.gz NVZSREPCNYTGRS-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001027589864 766101455 /nfs/dbraw/zinc/10/14/55/766101455.db2.gz ZCRQFFHKNNBTMK-RBSFLKMASA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001027589864 766101456 /nfs/dbraw/zinc/10/14/56/766101456.db2.gz ZCRQFFHKNNBTMK-RBSFLKMASA-N 1 2 367.287 3.215 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1C ZINC001032638054 766200195 /nfs/dbraw/zinc/20/01/95/766200195.db2.gz HECAIKGZEBPRHC-OKYOBFRVSA-N 1 2 360.885 3.025 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1C ZINC001032638054 766200200 /nfs/dbraw/zinc/20/02/00/766200200.db2.gz HECAIKGZEBPRHC-OKYOBFRVSA-N 1 2 360.885 3.025 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001033259712 766210093 /nfs/dbraw/zinc/21/00/93/766210093.db2.gz PPHLYHBJLVMKNU-KNBMTAEXSA-N 1 2 360.885 3.012 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001033259712 766210097 /nfs/dbraw/zinc/21/00/97/766210097.db2.gz PPHLYHBJLVMKNU-KNBMTAEXSA-N 1 2 360.885 3.012 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034416225 766241304 /nfs/dbraw/zinc/24/13/04/766241304.db2.gz YMRBKTVSFSERCD-RBSFLKMASA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034416225 766241308 /nfs/dbraw/zinc/24/13/08/766241308.db2.gz YMRBKTVSFSERCD-RBSFLKMASA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001034439967 766242354 /nfs/dbraw/zinc/24/23/54/766242354.db2.gz RYQUVBGKXYEBDK-LBKMJPPLSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001034439967 766242357 /nfs/dbraw/zinc/24/23/57/766242357.db2.gz RYQUVBGKXYEBDK-LBKMJPPLSA-N 1 2 361.313 3.257 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001038795775 766287706 /nfs/dbraw/zinc/28/77/06/766287706.db2.gz BQOZYKNWIOMKHU-AOIWGVFYSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1Cl ZINC001038795775 766287708 /nfs/dbraw/zinc/28/77/08/766287708.db2.gz BQOZYKNWIOMKHU-AOIWGVFYSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001046844420 766607368 /nfs/dbraw/zinc/60/73/68/766607368.db2.gz AKQIQOUNWQGVSY-IYOUNJFTSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001046844420 766607374 /nfs/dbraw/zinc/60/73/74/766607374.db2.gz AKQIQOUNWQGVSY-IYOUNJFTSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607886 766799617 /nfs/dbraw/zinc/79/96/17/766799617.db2.gz YXSMURUATAUYRF-PNBKFKSVSA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607886 766799618 /nfs/dbraw/zinc/79/96/18/766799618.db2.gz YXSMURUATAUYRF-PNBKFKSVSA-N 1 2 353.304 3.151 20 30 FGEDLO Cc1ccc([C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000052488409 257345603 /nfs/dbraw/zinc/34/56/03/257345603.db2.gz RBJGEZPLJXNHOI-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c(Cl)s2)C1=O ZINC000467519689 501813623 /nfs/dbraw/zinc/81/36/23/501813623.db2.gz FMWOOYRNRJCFRZ-LLVKDONJSA-N 1 2 363.708 3.383 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(Cl)s2)C1=O ZINC000467519689 501813631 /nfs/dbraw/zinc/81/36/31/501813631.db2.gz FMWOOYRNRJCFRZ-LLVKDONJSA-N 1 2 363.708 3.383 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1-c1ccccc1 ZINC000579665740 505597726 /nfs/dbraw/zinc/59/77/26/505597726.db2.gz BONYATDVLNOBQM-UHFFFAOYSA-N 1 2 374.448 3.138 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000579692242 505603296 /nfs/dbraw/zinc/60/32/96/505603296.db2.gz XFVYWWULDGJXAO-XPGWFJOJSA-N 1 2 363.465 3.425 20 30 FGEDLO Cc1ccc2[nH+]c(CNC(=O)CSCc3ccc(C#N)cc3)cn2c1 ZINC000579742405 505611100 /nfs/dbraw/zinc/61/11/00/505611100.db2.gz ZZSZTLCHIFFGEO-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000573931681 505655011 /nfs/dbraw/zinc/65/50/11/505655011.db2.gz KKGWIRIFPSLUPO-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO CCOc1ccc(-c2nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000580081566 505673765 /nfs/dbraw/zinc/67/37/65/505673765.db2.gz UZLCNQLIAQBVTN-LJQANCHMSA-N 1 2 372.494 3.091 20 30 FGEDLO C=CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1OC ZINC000057517173 493770008 /nfs/dbraw/zinc/77/00/08/493770008.db2.gz WNVZATWJSMIBTA-UHFFFAOYSA-N 1 2 369.465 3.431 20 30 FGEDLO C=CCOc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1OC ZINC000068244917 493784197 /nfs/dbraw/zinc/78/41/97/493784197.db2.gz VMTWIPQAKCYWFD-UHFFFAOYSA-N 1 2 352.434 3.006 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc(C#N)c1)c1cccc(F)c1 ZINC000048254770 493808498 /nfs/dbraw/zinc/80/84/98/493808498.db2.gz WBCIOGPMURABJA-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068546799 493838728 /nfs/dbraw/zinc/83/87/28/493838728.db2.gz BZEICLHKTFUUKZ-UHFFFAOYSA-N 1 2 364.449 3.483 20 30 FGEDLO CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000058268554 493839668 /nfs/dbraw/zinc/83/96/68/493839668.db2.gz PRGGRZNFBBOLOJ-UHFFFAOYSA-N 1 2 372.472 3.491 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068551746 493839704 /nfs/dbraw/zinc/83/97/04/493839704.db2.gz VHHFRCFPBVZETN-UHFFFAOYSA-N 1 2 368.452 3.486 20 30 FGEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)cc1 ZINC000003540515 493852521 /nfs/dbraw/zinc/85/25/21/493852521.db2.gz OSBUGRHMDCRMNQ-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)cc1 ZINC000003540515 493852525 /nfs/dbraw/zinc/85/25/25/493852525.db2.gz OSBUGRHMDCRMNQ-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000048966913 493854520 /nfs/dbraw/zinc/85/45/20/493854520.db2.gz OQFRNYQMMCIVTQ-INIZCTEOSA-N 1 2 359.433 3.363 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069067661 493914763 /nfs/dbraw/zinc/91/47/63/493914763.db2.gz LCSIATOEARTEHB-MRXNPFEDSA-N 1 2 372.469 3.238 20 30 FGEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069067661 493914769 /nfs/dbraw/zinc/91/47/69/493914769.db2.gz LCSIATOEARTEHB-MRXNPFEDSA-N 1 2 372.469 3.238 20 30 FGEDLO CN1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)Cc2ccccc21 ZINC000069089117 493919564 /nfs/dbraw/zinc/91/95/64/493919564.db2.gz DSXZVXDMJMUYLX-UHFFFAOYSA-N 1 2 366.490 3.193 20 30 FGEDLO CN1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)Cc2ccccc21 ZINC000069089117 493919570 /nfs/dbraw/zinc/91/95/70/493919570.db2.gz DSXZVXDMJMUYLX-UHFFFAOYSA-N 1 2 366.490 3.193 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084131519 494049623 /nfs/dbraw/zinc/04/96/23/494049623.db2.gz IAGZXKRFBHAAHO-IBGZPJMESA-N 1 2 352.482 3.394 20 30 FGEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000084131519 494049624 /nfs/dbraw/zinc/04/96/24/494049624.db2.gz IAGZXKRFBHAAHO-IBGZPJMESA-N 1 2 352.482 3.394 20 30 FGEDLO Cc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccco2)s1 ZINC000053084533 494091438 /nfs/dbraw/zinc/09/14/38/494091438.db2.gz GXPHEZMDOKIZAV-LJQANCHMSA-N 1 2 357.479 3.460 20 30 FGEDLO Cc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccco2)s1 ZINC000053084533 494091443 /nfs/dbraw/zinc/09/14/43/494091443.db2.gz GXPHEZMDOKIZAV-LJQANCHMSA-N 1 2 357.479 3.460 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1F ZINC000011011083 494168805 /nfs/dbraw/zinc/16/88/05/494168805.db2.gz COXBMLZZVIFHAE-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1F ZINC000011011083 494168807 /nfs/dbraw/zinc/16/88/07/494168807.db2.gz COXBMLZZVIFHAE-UHFFFAOYSA-N 1 2 368.412 3.116 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cccc(C#N)c1)c1cccc(F)c1 ZINC000041788079 494177197 /nfs/dbraw/zinc/17/71/97/494177197.db2.gz YSQRJICZNLWHAV-NDDJGDGRSA-N 1 2 360.392 3.350 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(OC)cc1 ZINC000054272001 494214877 /nfs/dbraw/zinc/21/48/77/494214877.db2.gz ZVBVXCMPZKPQIO-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(OC)cc1 ZINC000054272001 494214882 /nfs/dbraw/zinc/21/48/82/494214882.db2.gz ZVBVXCMPZKPQIO-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000054295352 494218483 /nfs/dbraw/zinc/21/84/83/494218483.db2.gz HAJMFISENCINAA-VGOFRKELSA-N 1 2 369.509 3.333 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898023 494278554 /nfs/dbraw/zinc/27/85/54/494278554.db2.gz SZTISXVRUCWWSR-SJORKVTESA-N 1 2 350.447 3.028 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072898023 494278556 /nfs/dbraw/zinc/27/85/56/494278556.db2.gz SZTISXVRUCWWSR-SJORKVTESA-N 1 2 350.447 3.028 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000043390577 494293243 /nfs/dbraw/zinc/29/32/43/494293243.db2.gz BCWXCUSUWVARIQ-UHFFFAOYSA-N 1 2 360.461 3.397 20 30 FGEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)c1 ZINC000043984588 494333425 /nfs/dbraw/zinc/33/34/25/494333425.db2.gz WQBXVGOQFJCJGL-LJQANCHMSA-N 1 2 360.417 3.321 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000066530915 494351131 /nfs/dbraw/zinc/35/11/31/494351131.db2.gz VOJRGZAXVARYEN-IERDGZPVSA-N 1 2 368.456 3.250 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000066530915 494351136 /nfs/dbraw/zinc/35/11/36/494351136.db2.gz VOJRGZAXVARYEN-IERDGZPVSA-N 1 2 368.456 3.250 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSc3ccc(F)cc3)CC2)cc1 ZINC000015742089 494367180 /nfs/dbraw/zinc/36/71/80/494367180.db2.gz QYTXDOYGWHVPRN-UHFFFAOYSA-N 1 2 369.465 3.134 20 30 FGEDLO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000045343729 494418129 /nfs/dbraw/zinc/41/81/29/494418129.db2.gz BUOZFJJRMMXYSU-UHFFFAOYSA-N 1 2 368.506 3.075 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000067319675 494514783 /nfs/dbraw/zinc/51/47/83/494514783.db2.gz YYYOVUCXGLQCQW-UHFFFAOYSA-N 1 2 366.465 3.386 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)no1 ZINC000067347626 494517941 /nfs/dbraw/zinc/51/79/41/494517941.db2.gz YTCLMBWRNCNPIX-UHFFFAOYSA-N 1 2 350.344 3.196 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNc3ccc(Cl)c(C#N)n3)c[nH+]2)C[C@@H](C)O1 ZINC000067367988 494524193 /nfs/dbraw/zinc/52/41/93/494524193.db2.gz ZQGLXNUHCBLPMY-CHWSQXEVSA-N 1 2 357.845 3.227 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)Cc1ccccc1F ZINC000079889090 494544190 /nfs/dbraw/zinc/54/41/90/494544190.db2.gz VUHIWUWREJSPRM-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(COC)cc1)Cc1ccccc1F ZINC000079889090 494544194 /nfs/dbraw/zinc/54/41/94/494544194.db2.gz VUHIWUWREJSPRM-UHFFFAOYSA-N 1 2 356.441 3.277 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000125950031 494585204 /nfs/dbraw/zinc/58/52/04/494585204.db2.gz SEDLTDLMJPYVRG-QAPCUYQASA-N 1 2 369.465 3.352 20 30 FGEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125966290 494590368 /nfs/dbraw/zinc/59/03/68/494590368.db2.gz GMZCCOGXQCBWAS-QFIPXVFZSA-N 1 2 374.488 3.453 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(Oc2cccnc2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361414 494605664 /nfs/dbraw/zinc/60/56/64/494605664.db2.gz QGVQJZWQGGQKIX-SFHVURJKSA-N 1 2 372.490 3.357 20 30 FGEDLO C=CC[N@H+](Cc1ccc(Oc2cccnc2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361414 494605667 /nfs/dbraw/zinc/60/56/67/494605667.db2.gz QGVQJZWQGGQKIX-SFHVURJKSA-N 1 2 372.490 3.357 20 30 FGEDLO C=CCc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(OC)c1OC ZINC000121181660 494635149 /nfs/dbraw/zinc/63/51/49/494635149.db2.gz WUAHDAXVBJHWIA-SFHVURJKSA-N 1 2 368.433 3.121 20 30 FGEDLO N#CCSCCC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000074989801 494669896 /nfs/dbraw/zinc/66/98/96/494669896.db2.gz ICKGPMHSKBNIAM-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCSCCC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000074989801 494669903 /nfs/dbraw/zinc/66/99/03/494669903.db2.gz ICKGPMHSKBNIAM-HNNXBMFYSA-N 1 2 355.301 3.469 20 30 FGEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000091979505 494740119 /nfs/dbraw/zinc/74/01/19/494740119.db2.gz SZQMTEOIPCLPJQ-UHFFFAOYSA-N 1 2 361.405 3.376 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000047880531 494786517 /nfs/dbraw/zinc/78/65/17/494786517.db2.gz CIKAHDJLEDZTJO-OAHLLOKOSA-N 1 2 368.868 3.361 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000026349723 494822039 /nfs/dbraw/zinc/82/20/39/494822039.db2.gz GESYNSMKCJSNHW-LBPRGKRZSA-N 1 2 356.382 3.135 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000026349723 494822043 /nfs/dbraw/zinc/82/20/43/494822043.db2.gz GESYNSMKCJSNHW-LBPRGKRZSA-N 1 2 356.382 3.135 20 30 FGEDLO COCC[N@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093099949 494825951 /nfs/dbraw/zinc/82/59/51/494825951.db2.gz DLBLKCGORWDXKN-UHFFFAOYSA-N 1 2 352.360 3.253 20 30 FGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093099949 494825956 /nfs/dbraw/zinc/82/59/56/494825956.db2.gz DLBLKCGORWDXKN-UHFFFAOYSA-N 1 2 352.360 3.253 20 30 FGEDLO CCc1nsc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000093643001 494907332 /nfs/dbraw/zinc/90/73/32/494907332.db2.gz IKMSKSTWLNLQCH-UHFFFAOYSA-N 1 2 371.510 3.105 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765442 494915659 /nfs/dbraw/zinc/91/56/59/494915659.db2.gz SDZFHRQPUNSUDZ-UHFFFAOYSA-N 1 2 365.462 3.314 20 30 FGEDLO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000110116253 494949510 /nfs/dbraw/zinc/94/95/10/494949510.db2.gz CGIIUUYEBAJMCH-SFHVURJKSA-N 1 2 351.454 3.092 20 30 FGEDLO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000110116253 494949515 /nfs/dbraw/zinc/94/95/15/494949515.db2.gz CGIIUUYEBAJMCH-SFHVURJKSA-N 1 2 351.454 3.092 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000118399756 495000294 /nfs/dbraw/zinc/00/02/94/495000294.db2.gz QTUXTFFOXGGJLQ-PGRDOPGGSA-N 1 2 374.488 3.042 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574368174 505756297 /nfs/dbraw/zinc/75/62/97/505756297.db2.gz DGLQZUPOIYTVNM-IRLDBZIGSA-N 1 2 362.429 3.242 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574368174 505756300 /nfs/dbraw/zinc/75/63/00/505756300.db2.gz DGLQZUPOIYTVNM-IRLDBZIGSA-N 1 2 362.429 3.242 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981593 495027851 /nfs/dbraw/zinc/02/78/51/495027851.db2.gz MXMHPEZUYXPLLD-GJZGRUSLSA-N 1 2 352.425 3.027 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981593 495027853 /nfs/dbraw/zinc/02/78/53/495027853.db2.gz MXMHPEZUYXPLLD-GJZGRUSLSA-N 1 2 352.425 3.027 20 30 FGEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250925 495054851 /nfs/dbraw/zinc/05/48/51/495054851.db2.gz LFDRLOLKQFXALX-CQSZACIVSA-N 1 2 351.441 3.274 20 30 FGEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250925 495054854 /nfs/dbraw/zinc/05/48/54/495054854.db2.gz LFDRLOLKQFXALX-CQSZACIVSA-N 1 2 351.441 3.274 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CC#Cc2cccc(Cl)c2)CCO)c1 ZINC000118967047 495060578 /nfs/dbraw/zinc/06/05/78/495060578.db2.gz MHQBSVPETJEZIC-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CC#Cc2cccc(Cl)c2)CCO)c1 ZINC000118967047 495060582 /nfs/dbraw/zinc/06/05/82/495060582.db2.gz MHQBSVPETJEZIC-UHFFFAOYSA-N 1 2 359.853 3.203 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000128220471 495063800 /nfs/dbraw/zinc/06/38/00/495063800.db2.gz PWVFSQALCVCRFR-INIZCTEOSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000128220471 495063803 /nfs/dbraw/zinc/06/38/03/495063803.db2.gz PWVFSQALCVCRFR-INIZCTEOSA-N 1 2 355.825 3.303 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000101554556 495076644 /nfs/dbraw/zinc/07/66/44/495076644.db2.gz JMMONZRLHQAEHR-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128388035 495089270 /nfs/dbraw/zinc/08/92/70/495089270.db2.gz SJSKAZBZHSEARV-ZDUSSCGKSA-N 1 2 364.417 3.303 20 30 FGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128388035 495089273 /nfs/dbraw/zinc/08/92/73/495089273.db2.gz SJSKAZBZHSEARV-ZDUSSCGKSA-N 1 2 364.417 3.303 20 30 FGEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000128655869 495130937 /nfs/dbraw/zinc/13/09/37/495130937.db2.gz MPNLBPNYIZDWEI-UHFFFAOYSA-N 1 2 355.463 3.331 20 30 FGEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000128655869 495130939 /nfs/dbraw/zinc/13/09/39/495130939.db2.gz MPNLBPNYIZDWEI-UHFFFAOYSA-N 1 2 355.463 3.331 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845010 495166335 /nfs/dbraw/zinc/16/63/35/495166335.db2.gz DRKGEYUEVWIHEW-KRWDZBQOSA-N 1 2 354.841 3.337 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845010 495166337 /nfs/dbraw/zinc/16/63/37/495166337.db2.gz DRKGEYUEVWIHEW-KRWDZBQOSA-N 1 2 354.841 3.337 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)s1 ZINC000119729319 495228166 /nfs/dbraw/zinc/22/81/66/495228166.db2.gz LBDOZFOXANKWQP-UHFFFAOYSA-N 1 2 374.267 3.457 20 30 FGEDLO C#CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(OC)cc2)cc1 ZINC000113319176 495296799 /nfs/dbraw/zinc/29/67/99/495296799.db2.gz FNBUFCXFRNRYIJ-NRFANRHFSA-N 1 2 361.445 3.320 20 30 FGEDLO C=CCNc1ncc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC000136282020 495369299 /nfs/dbraw/zinc/36/92/99/495369299.db2.gz HFMWJPODBBGRIK-ZDUSSCGKSA-N 1 2 366.437 3.052 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000125189154 495403798 /nfs/dbraw/zinc/40/37/98/495403798.db2.gz SMXVGMMCEOSUGA-CYBMUJFWSA-N 1 2 369.421 3.014 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000125189154 495403801 /nfs/dbraw/zinc/40/38/01/495403801.db2.gz SMXVGMMCEOSUGA-CYBMUJFWSA-N 1 2 369.421 3.014 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000114724717 495416383 /nfs/dbraw/zinc/41/63/83/495416383.db2.gz SJDUUMFNCHGIOI-HNNXBMFYSA-N 1 2 371.462 3.413 20 30 FGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1OC ZINC000114724717 495416385 /nfs/dbraw/zinc/41/63/85/495416385.db2.gz SJDUUMFNCHGIOI-HNNXBMFYSA-N 1 2 371.462 3.413 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115018805 495453093 /nfs/dbraw/zinc/45/30/93/495453093.db2.gz CWDNJLNDERAXGI-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO C=C(C)COc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000130894966 495463016 /nfs/dbraw/zinc/46/30/16/495463016.db2.gz YBKDIQYYTKLYJC-LJQANCHMSA-N 1 2 358.413 3.105 20 30 FGEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C(N)=O)cc1 ZINC000115597484 495520629 /nfs/dbraw/zinc/52/06/29/495520629.db2.gz GIUDQLSGSKVBFI-QFIPXVFZSA-N 1 2 371.440 3.453 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000158677651 495564612 /nfs/dbraw/zinc/56/46/12/495564612.db2.gz YVESQCJKPQASRX-UHFFFAOYSA-N 1 2 363.436 3.499 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000173596196 495605057 /nfs/dbraw/zinc/60/50/57/495605057.db2.gz UWKKRGWIGTUUSB-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000158931724 495618685 /nfs/dbraw/zinc/61/86/85/495618685.db2.gz IBTMWCTWASAHDT-UHFFFAOYSA-N 1 2 361.474 3.399 20 30 FGEDLO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cn1cc[nH+]c1 ZINC000176386389 495631450 /nfs/dbraw/zinc/63/14/50/495631450.db2.gz UIYVELDWEDRNML-KRWDZBQOSA-N 1 2 374.444 3.400 20 30 FGEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000176447771 495653881 /nfs/dbraw/zinc/65/38/81/495653881.db2.gz MNPDIWPIRNUVHU-FQEVSTJZSA-N 1 2 368.502 3.005 20 30 FGEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000176447771 495653885 /nfs/dbraw/zinc/65/38/85/495653885.db2.gz MNPDIWPIRNUVHU-FQEVSTJZSA-N 1 2 368.502 3.005 20 30 FGEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000182675053 495659703 /nfs/dbraw/zinc/65/97/03/495659703.db2.gz MGAFOODKCJMMMV-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000182675053 495659705 /nfs/dbraw/zinc/65/97/05/495659705.db2.gz MGAFOODKCJMMMV-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)ccc1OC ZINC000179737785 495711862 /nfs/dbraw/zinc/71/18/62/495711862.db2.gz OUENXMQMZQDMCW-UHFFFAOYSA-N 1 2 371.481 3.264 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000171109518 495727200 /nfs/dbraw/zinc/72/72/00/495727200.db2.gz WLSLNLAJKZHWHX-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000171109518 495727206 /nfs/dbraw/zinc/72/72/06/495727206.db2.gz WLSLNLAJKZHWHX-MRXNPFEDSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000185937829 495788908 /nfs/dbraw/zinc/78/89/08/495788908.db2.gz ZZRIPYJDRABMDP-IINYFYTJSA-N 1 2 362.421 3.257 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1Br ZINC000179987295 495811084 /nfs/dbraw/zinc/81/10/84/495811084.db2.gz RQXCONHHQPQDJL-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000155260952 495895675 /nfs/dbraw/zinc/89/56/75/495895675.db2.gz HGPVZILSGNLGCP-QHCPKHFHSA-N 1 2 371.488 3.314 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000174333643 495915123 /nfs/dbraw/zinc/91/51/23/495915123.db2.gz XVXUWPCYTZIWMR-UONOGXRCSA-N 1 2 360.433 3.339 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2C)ccc1Cl ZINC000177101303 495926615 /nfs/dbraw/zinc/92/66/15/495926615.db2.gz WFEOCTZNQLAOKD-CQSZACIVSA-N 1 2 351.903 3.332 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2C)ccc1Cl ZINC000177101303 495926621 /nfs/dbraw/zinc/92/66/21/495926621.db2.gz WFEOCTZNQLAOKD-CQSZACIVSA-N 1 2 351.903 3.332 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(O)c1 ZINC000568943697 505813351 /nfs/dbraw/zinc/81/33/51/505813351.db2.gz JZDDSDTUZNRMEU-LBPRGKRZSA-N 1 2 355.463 3.273 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(O)c1 ZINC000568943697 505813354 /nfs/dbraw/zinc/81/33/54/505813354.db2.gz JZDDSDTUZNRMEU-LBPRGKRZSA-N 1 2 355.463 3.273 20 30 FGEDLO Cc1sc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(C#N)c1C ZINC000177145622 495948541 /nfs/dbraw/zinc/94/85/41/495948541.db2.gz KAUIYFSSSGIRHG-UHFFFAOYSA-N 1 2 371.510 3.090 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171622092 495952557 /nfs/dbraw/zinc/95/25/57/495952557.db2.gz LRHILYJEYQURGS-UHFFFAOYSA-N 1 2 354.410 3.237 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171622092 495952558 /nfs/dbraw/zinc/95/25/58/495952558.db2.gz LRHILYJEYQURGS-UHFFFAOYSA-N 1 2 354.410 3.237 20 30 FGEDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OCC#N)cc1 ZINC000186436528 495998024 /nfs/dbraw/zinc/99/80/24/495998024.db2.gz CMZWXCNTTXQKDH-OAHLLOKOSA-N 1 2 363.421 3.137 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@H+]2CCCN(CC(F)F)CC2)c2ccccc21 ZINC000180547023 496040261 /nfs/dbraw/zinc/04/02/61/496040261.db2.gz HRWNSURWAXAZQQ-UHFFFAOYSA-N 1 2 374.435 3.010 20 30 FGEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCCN(CC(F)F)CC2)c2ccccc21 ZINC000180547023 496040268 /nfs/dbraw/zinc/04/02/68/496040268.db2.gz HRWNSURWAXAZQQ-UHFFFAOYSA-N 1 2 374.435 3.010 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000174830907 496124762 /nfs/dbraw/zinc/12/47/62/496124762.db2.gz VVGTTZDAVIMUCV-UHFFFAOYSA-N 1 2 374.872 3.043 20 30 FGEDLO C[C@@H](NC(=O)NCCc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000571834840 505824616 /nfs/dbraw/zinc/82/46/16/505824616.db2.gz FHUJNKITPIPQRK-MRXNPFEDSA-N 1 2 359.433 3.347 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000152361441 496127148 /nfs/dbraw/zinc/12/71/48/496127148.db2.gz UTHFBIUBZZAOBJ-PMACEKPBSA-N 1 2 370.884 3.468 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177601862 496128342 /nfs/dbraw/zinc/12/83/42/496128342.db2.gz DBTMGENCZFTMHR-PBHICJAKSA-N 1 2 353.426 3.268 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184315978 496332748 /nfs/dbraw/zinc/33/27/48/496332748.db2.gz UKOSSZNEKWVDNE-AWEZNQCLSA-N 1 2 363.421 3.457 20 30 FGEDLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Cl)ccc1C#N ZINC000156844150 496346405 /nfs/dbraw/zinc/34/64/05/496346405.db2.gz USGPDTJDRACFSA-LJQANCHMSA-N 1 2 369.852 3.075 20 30 FGEDLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Cl)ccc1C#N ZINC000156844150 496346414 /nfs/dbraw/zinc/34/64/14/496346414.db2.gz USGPDTJDRACFSA-LJQANCHMSA-N 1 2 369.852 3.075 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162761499 496408251 /nfs/dbraw/zinc/40/82/51/496408251.db2.gz LIHOGFMQTYOICB-UHFFFAOYSA-N 1 2 362.437 3.375 20 30 FGEDLO CSCC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nnc2ccccn21 ZINC000184607847 496462577 /nfs/dbraw/zinc/46/25/77/496462577.db2.gz OHOFLPQLEMJACW-MRXNPFEDSA-N 1 2 355.442 3.324 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(C)o1 ZINC000184739204 496513977 /nfs/dbraw/zinc/51/39/77/496513977.db2.gz YCGBVCSGAOPDIO-SJLPKXTDSA-N 1 2 355.438 3.201 20 30 FGEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000574758461 505849156 /nfs/dbraw/zinc/84/91/56/505849156.db2.gz QQIIJAJPXFMTOM-UHFFFAOYSA-N 1 2 374.370 3.330 20 30 FGEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000181736117 496523339 /nfs/dbraw/zinc/52/33/39/496523339.db2.gz MJFGLRDBQSQVRP-GFCCVEGCSA-N 1 2 366.845 3.475 20 30 FGEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000163940548 496571787 /nfs/dbraw/zinc/57/17/87/496571787.db2.gz PQPGKGHHSQKLQO-INIZCTEOSA-N 1 2 361.287 3.010 20 30 FGEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153855747 496603657 /nfs/dbraw/zinc/60/36/57/496603657.db2.gz XZBKJHIOHWMRHB-WIYYLYMNSA-N 1 2 368.525 3.048 20 30 FGEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000158062199 496618571 /nfs/dbraw/zinc/61/85/71/496618571.db2.gz MHWYSIHIHANATJ-UHFFFAOYSA-N 1 2 374.444 3.492 20 30 FGEDLO COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000165302735 496655298 /nfs/dbraw/zinc/65/52/98/496655298.db2.gz JNYIWSSWBDUFEH-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO N#CCc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000574806084 505859650 /nfs/dbraw/zinc/85/96/50/505859650.db2.gz FIHAWWAURWVSAE-UHFFFAOYSA-N 1 2 363.465 3.137 20 30 FGEDLO N#Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000167437379 496700907 /nfs/dbraw/zinc/70/09/07/496700907.db2.gz XYHPDYUHBADZQJ-UHFFFAOYSA-N 1 2 373.416 3.468 20 30 FGEDLO C#CCCCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194858843 496737798 /nfs/dbraw/zinc/73/77/98/496737798.db2.gz FHEUPMUCCKNVSK-UHFFFAOYSA-N 1 2 351.406 3.041 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@](=O)C1 ZINC000277414952 496766026 /nfs/dbraw/zinc/76/60/26/496766026.db2.gz IPKDWIKBARPUHF-MRDQGFSESA-N 1 2 368.502 3.338 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@](=O)C1 ZINC000277414952 496766032 /nfs/dbraw/zinc/76/60/32/496766032.db2.gz IPKDWIKBARPUHF-MRDQGFSESA-N 1 2 368.502 3.338 20 30 FGEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)c1 ZINC000191562823 496813092 /nfs/dbraw/zinc/81/30/92/496813092.db2.gz ADFWREDXINKECO-ZDUSSCGKSA-N 1 2 374.404 3.115 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CSc1ccc(C#N)cc1 ZINC000264151587 496823202 /nfs/dbraw/zinc/82/32/02/496823202.db2.gz MUWKPSVJDJDEHI-UHFFFAOYSA-N 1 2 368.384 3.068 20 30 FGEDLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000264201611 496837495 /nfs/dbraw/zinc/83/74/95/496837495.db2.gz FHDPNMHUJAIAFT-GFCCVEGCSA-N 1 2 365.359 3.220 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(F)c(F)c(F)c1F ZINC000264229529 496844500 /nfs/dbraw/zinc/84/45/00/496844500.db2.gz XUCDCOCVPWADCI-UHFFFAOYSA-N 1 2 369.240 3.274 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccncc3)CC2)c(C#N)c1C ZINC000191665128 496849197 /nfs/dbraw/zinc/84/91/97/496849197.db2.gz YUZAVXGYBQLVOK-AWEZNQCLSA-N 1 2 352.438 3.370 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000264256886 496853853 /nfs/dbraw/zinc/85/38/53/496853853.db2.gz QNOZWXGXFWXEJE-UHFFFAOYSA-N 1 2 355.295 3.120 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1ccc(CC#N)cc1 ZINC000264282833 496861912 /nfs/dbraw/zinc/86/19/12/496861912.db2.gz PDKGCFDGBNGECB-UHFFFAOYSA-N 1 2 351.332 3.175 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188667645 496870422 /nfs/dbraw/zinc/87/04/22/496870422.db2.gz GSSLBXNEYGWSFS-YQVWRLOYSA-N 1 2 352.425 3.055 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188667645 496870427 /nfs/dbraw/zinc/87/04/27/496870427.db2.gz GSSLBXNEYGWSFS-YQVWRLOYSA-N 1 2 352.425 3.055 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000247634085 496896984 /nfs/dbraw/zinc/89/69/84/496896984.db2.gz CIWSQYFCMHXZHR-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO COC(=O)C[N@H+](Cc1ccc(OCC#N)cc1)Cc1cc(Cl)ccc1O ZINC000264622743 496945912 /nfs/dbraw/zinc/94/59/12/496945912.db2.gz RUJVITODMQBGGI-UHFFFAOYSA-N 1 2 374.824 3.123 20 30 FGEDLO COC(=O)C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cc(Cl)ccc1O ZINC000264622743 496945916 /nfs/dbraw/zinc/94/59/16/496945916.db2.gz RUJVITODMQBGGI-UHFFFAOYSA-N 1 2 374.824 3.123 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1F ZINC000192057147 496979945 /nfs/dbraw/zinc/97/99/45/496979945.db2.gz HAKOEEKKNYYJTI-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1F ZINC000192057147 496979953 /nfs/dbraw/zinc/97/99/53/496979953.db2.gz HAKOEEKKNYYJTI-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000278198483 497034814 /nfs/dbraw/zinc/03/48/14/497034814.db2.gz PSUGUYJJRRZONP-UHFFFAOYSA-N 1 2 355.829 3.269 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248834460 497114044 /nfs/dbraw/zinc/11/40/44/497114044.db2.gz MVTCUPMIYAZASC-RBSFLKMASA-N 1 2 361.511 3.253 20 30 FGEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000274633474 497134512 /nfs/dbraw/zinc/13/45/12/497134512.db2.gz YVVAHEDOPNJYCZ-UHFFFAOYSA-N 1 2 362.355 3.421 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249685070 497232296 /nfs/dbraw/zinc/23/22/96/497232296.db2.gz LPFLQJZNPNYDEH-CHWSQXEVSA-N 1 2 369.494 3.038 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249685070 497232302 /nfs/dbraw/zinc/23/23/02/497232302.db2.gz LPFLQJZNPNYDEH-CHWSQXEVSA-N 1 2 369.494 3.038 20 30 FGEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[nH+]1 ZINC000279055721 497319332 /nfs/dbraw/zinc/31/93/32/497319332.db2.gz HVGJOZBHBSMYAG-LBPRGKRZSA-N 1 2 373.457 3.188 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000279103649 497334234 /nfs/dbraw/zinc/33/42/34/497334234.db2.gz XMSKBLBBNRVKQS-QZTJIDSGSA-N 1 2 355.438 3.017 20 30 FGEDLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000275467217 497335637 /nfs/dbraw/zinc/33/56/37/497335637.db2.gz ZPBYFNWZVKGFHT-LJQANCHMSA-N 1 2 354.498 3.427 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000190087433 497352586 /nfs/dbraw/zinc/35/25/86/497352586.db2.gz KXGNMJXIGDGREK-CQSZACIVSA-N 1 2 369.852 3.436 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245610530 497472449 /nfs/dbraw/zinc/47/24/49/497472449.db2.gz SPPVGHQLVKYKCS-DOTOQJQBSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245610530 497472453 /nfs/dbraw/zinc/47/24/53/497472453.db2.gz SPPVGHQLVKYKCS-DOTOQJQBSA-N 1 2 360.820 3.244 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1)[NH+]1CCOCC1 ZINC000267999582 497655560 /nfs/dbraw/zinc/65/55/60/497655560.db2.gz VABIOTLQHMECGF-ZDUSSCGKSA-N 1 2 371.387 3.482 20 30 FGEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280326631 497720976 /nfs/dbraw/zinc/72/09/76/497720976.db2.gz HIOXXWREEXBJPF-QGZVFWFLSA-N 1 2 365.271 3.091 20 30 FGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]2(CCOC2)O1 ZINC000280326631 497720980 /nfs/dbraw/zinc/72/09/80/497720980.db2.gz HIOXXWREEXBJPF-QGZVFWFLSA-N 1 2 365.271 3.091 20 30 FGEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1 ZINC000191173754 497733562 /nfs/dbraw/zinc/73/35/62/497733562.db2.gz UPVLGZHMNPHFHP-UHFFFAOYSA-N 1 2 364.371 3.376 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C#N)n(C)c1 ZINC000191173754 497733567 /nfs/dbraw/zinc/73/35/67/497733567.db2.gz UPVLGZHMNPHFHP-UHFFFAOYSA-N 1 2 364.371 3.376 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000263646347 497804532 /nfs/dbraw/zinc/80/45/32/497804532.db2.gz BTHAQJSUFAUDLF-UHFFFAOYSA-N 1 2 355.442 3.057 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246783714 497810459 /nfs/dbraw/zinc/81/04/59/497810459.db2.gz PHSGGHRBZNXUAN-SJLPKXTDSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246783714 497810460 /nfs/dbraw/zinc/81/04/60/497810460.db2.gz PHSGGHRBZNXUAN-SJLPKXTDSA-N 1 2 354.853 3.323 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329608656 497844371 /nfs/dbraw/zinc/84/43/71/497844371.db2.gz BQAYJHSQMZVJQF-UHFFFAOYSA-N 1 2 357.458 3.275 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329732938 497882235 /nfs/dbraw/zinc/88/22/35/497882235.db2.gz QOAIYYRLOWWADK-AXVVYFOYSA-N 1 2 350.466 3.449 20 30 FGEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329732938 497882246 /nfs/dbraw/zinc/88/22/46/497882246.db2.gz QOAIYYRLOWWADK-AXVVYFOYSA-N 1 2 350.466 3.449 20 30 FGEDLO Cc1cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)n1C ZINC000569463213 505941446 /nfs/dbraw/zinc/94/14/46/505941446.db2.gz MORRWBMXAWMFDC-UHFFFAOYSA-N 1 2 351.450 3.240 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000288735409 497884379 /nfs/dbraw/zinc/88/43/79/497884379.db2.gz JQOAEYNGLAPVTE-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCS1 ZINC000329778337 497898747 /nfs/dbraw/zinc/89/87/47/497898747.db2.gz PZMITPZMVIGKAB-ZIAGYGMSSA-N 1 2 350.532 3.237 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000296068407 497910265 /nfs/dbraw/zinc/91/02/65/497910265.db2.gz VDXXSCTYFDRKGZ-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3cccnc3)C2)c(C#N)c1C ZINC000296068407 497910272 /nfs/dbraw/zinc/91/02/72/497910272.db2.gz VDXXSCTYFDRKGZ-CQSZACIVSA-N 1 2 350.422 3.279 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3OC[C@H]4COCC[C@H]43)n2)C1 ZINC000329855494 497928863 /nfs/dbraw/zinc/92/88/63/497928863.db2.gz UCIWYVOLOCOFRG-RRCSTGOVSA-N 1 2 365.499 3.015 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3OC[C@H]4COCC[C@H]43)n2)C1 ZINC000329855494 497928866 /nfs/dbraw/zinc/92/88/66/497928866.db2.gz UCIWYVOLOCOFRG-RRCSTGOVSA-N 1 2 365.499 3.015 20 30 FGEDLO Cc1ccn(-c2ccccc2NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000329890365 497940864 /nfs/dbraw/zinc/94/08/64/497940864.db2.gz GDMPGOQDKQYBRF-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO Cc1ccn(-c2ccccc2NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000329890365 497940868 /nfs/dbraw/zinc/94/08/68/497940868.db2.gz GDMPGOQDKQYBRF-UHFFFAOYSA-N 1 2 350.426 3.329 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000569508508 505951856 /nfs/dbraw/zinc/95/18/56/505951856.db2.gz SKGWZOCELVNGNW-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329900973 497945850 /nfs/dbraw/zinc/94/58/50/497945850.db2.gz GMUCZYYBVLTZRD-JCGIZDLHSA-N 1 2 354.454 3.431 20 30 FGEDLO CC1(C)C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)c2ccc(F)cc2O1 ZINC000329924074 497955013 /nfs/dbraw/zinc/95/50/13/497955013.db2.gz UUTLGUNPAZVYRK-CJNGLKHVSA-N 1 2 372.444 3.391 20 30 FGEDLO CCN1CCN(C(=O)NC[C@H](C)c2cccc(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329967212 497973372 /nfs/dbraw/zinc/97/33/72/497973372.db2.gz SKJXFAQIWXHLIZ-WMZOPIPTSA-N 1 2 355.486 3.114 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000281027536 497993224 /nfs/dbraw/zinc/99/32/24/497993224.db2.gz UXPXREIVJWIYKD-UHFFFAOYSA-N 1 2 351.397 3.261 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364525380 498002556 /nfs/dbraw/zinc/00/25/56/498002556.db2.gz VFEOETGJEMMPOF-HNNXBMFYSA-N 1 2 365.462 3.245 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364525380 498002567 /nfs/dbraw/zinc/00/25/67/498002567.db2.gz VFEOETGJEMMPOF-HNNXBMFYSA-N 1 2 365.462 3.245 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)sc1C ZINC000330098942 498019883 /nfs/dbraw/zinc/01/98/83/498019883.db2.gz CLSLMTLPSRQSFJ-BNLOLNQZSA-N 1 2 353.488 3.006 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)sc1C ZINC000330098942 498019890 /nfs/dbraw/zinc/01/98/90/498019890.db2.gz CLSLMTLPSRQSFJ-BNLOLNQZSA-N 1 2 353.488 3.006 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)s1 ZINC000330147376 498038700 /nfs/dbraw/zinc/03/87/00/498038700.db2.gz IQTSTDGQXZEHLM-KBXCAEBGSA-N 1 2 352.500 3.037 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)s1 ZINC000330147376 498038706 /nfs/dbraw/zinc/03/87/06/498038706.db2.gz IQTSTDGQXZEHLM-KBXCAEBGSA-N 1 2 352.500 3.037 20 30 FGEDLO CC1(C)C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2O1 ZINC000330179508 498051371 /nfs/dbraw/zinc/05/13/71/498051371.db2.gz FJNFZLICJGWASZ-ZFWWWQNUSA-N 1 2 358.417 3.143 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330240832 498075090 /nfs/dbraw/zinc/07/50/90/498075090.db2.gz BOHIEZRTDCMHQM-NXOAAHMSSA-N 1 2 358.486 3.302 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)no1 ZINC000301372441 498078627 /nfs/dbraw/zinc/07/86/27/498078627.db2.gz VWLRKIPCTQTHPI-UHFFFAOYSA-N 1 2 361.449 3.342 20 30 FGEDLO CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330277340 498091301 /nfs/dbraw/zinc/09/13/01/498091301.db2.gz OBNBAYQTLYMTQT-IRXDYDNUSA-N 1 2 370.501 3.427 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000330297131 498096559 /nfs/dbraw/zinc/09/65/59/498096559.db2.gz KQLIELVMWUHNMT-MRXNPFEDSA-N 1 2 357.458 3.262 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000330301783 498098511 /nfs/dbraw/zinc/09/85/11/498098511.db2.gz NZJPMJYJCLOSLE-CABCVRRESA-N 1 2 367.457 3.148 20 30 FGEDLO CCN1CCN(C(=O)Nc2cc(Cl)ccc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330312986 498102030 /nfs/dbraw/zinc/10/20/30/498102030.db2.gz WVLAVEXYRNAHRI-CQSZACIVSA-N 1 2 351.813 3.127 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H](O)C12CCCC2 ZINC000330317898 498103188 /nfs/dbraw/zinc/10/31/88/498103188.db2.gz BZIQZGPLABUZDC-HNNXBMFYSA-N 1 2 364.515 3.054 20 30 FGEDLO C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)NC1=O ZINC000330334429 498109268 /nfs/dbraw/zinc/10/92/68/498109268.db2.gz QRBVLBRVZUYMFG-HWWQOWPSSA-N 1 2 370.409 3.014 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285507800 498112134 /nfs/dbraw/zinc/11/21/34/498112134.db2.gz YBAATAHIXGZPJH-QGZVFWFLSA-N 1 2 359.499 3.019 20 30 FGEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000285535412 498119660 /nfs/dbraw/zinc/11/96/60/498119660.db2.gz FQFAHSVXZVBQCS-AWTNTWDUSA-N 1 2 364.440 3.330 20 30 FGEDLO N#Cc1cc(C(F)(F)F)ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000301470444 498122926 /nfs/dbraw/zinc/12/29/26/498122926.db2.gz IYUFWYVKVXXXHF-MRXNPFEDSA-N 1 2 371.428 3.197 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330460934 498135198 /nfs/dbraw/zinc/13/51/98/498135198.db2.gz RPBAFEAMQSQEMD-JYJNAYRXSA-N 1 2 371.884 3.135 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NC[C@H](O)C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330460934 498135204 /nfs/dbraw/zinc/13/52/04/498135204.db2.gz RPBAFEAMQSQEMD-JYJNAYRXSA-N 1 2 371.884 3.135 20 30 FGEDLO Cc1cc(C)c2ncc(C#N)c(N3CCN(C4=[NH+]C[C@H](C)S4)CC3)c2c1 ZINC000301505770 498140001 /nfs/dbraw/zinc/14/00/01/498140001.db2.gz CQZLKDJRWGDAKW-HNNXBMFYSA-N 1 2 365.506 3.337 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1F ZINC000330542602 498149167 /nfs/dbraw/zinc/14/91/67/498149167.db2.gz SNPDFIGLYVKAPP-UHFFFAOYSA-N 1 2 361.820 3.363 20 30 FGEDLO Cc1c(Cl)cc(F)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1F ZINC000330542602 498149172 /nfs/dbraw/zinc/14/91/72/498149172.db2.gz SNPDFIGLYVKAPP-UHFFFAOYSA-N 1 2 361.820 3.363 20 30 FGEDLO CCOC(=O)c1csc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)n1 ZINC000572536417 505992506 /nfs/dbraw/zinc/99/25/06/505992506.db2.gz ISCXKDBVVZUXQG-UHFFFAOYSA-N 1 2 362.480 3.028 20 30 FGEDLO Cc1nn(CCC#N)c(C)c1CCc1nc(CCc2[nH+]cccc2C)no1 ZINC000351135569 498183971 /nfs/dbraw/zinc/18/39/71/498183971.db2.gz ZHFMUFLSJINICS-UHFFFAOYSA-N 1 2 364.453 3.070 20 30 FGEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000301608416 498185412 /nfs/dbraw/zinc/18/54/12/498185412.db2.gz ZZUYVUHFQDTNRH-CYBMUJFWSA-N 1 2 369.469 3.167 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000281583693 498202309 /nfs/dbraw/zinc/20/23/09/498202309.db2.gz FCFPSMALXQCFSU-UHFFFAOYSA-N 1 2 355.417 3.141 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360036147 498237661 /nfs/dbraw/zinc/23/76/61/498237661.db2.gz LVQDGHAFQCBTHS-WBVHZDCISA-N 1 2 354.454 3.363 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360036147 498237663 /nfs/dbraw/zinc/23/76/63/498237663.db2.gz LVQDGHAFQCBTHS-WBVHZDCISA-N 1 2 354.454 3.363 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000364995633 498246826 /nfs/dbraw/zinc/24/68/26/498246826.db2.gz FZNVJDLLUWJQCF-LJQANCHMSA-N 1 2 369.490 3.126 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000364995633 498246830 /nfs/dbraw/zinc/24/68/30/498246830.db2.gz FZNVJDLLUWJQCF-LJQANCHMSA-N 1 2 369.490 3.126 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nc(C)n[nH]2)CC1 ZINC000365120611 498307272 /nfs/dbraw/zinc/30/72/72/498307272.db2.gz ZMHPLCWUUFIKQF-UHFFFAOYSA-N 1 2 371.510 3.209 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2n[nH]c(C)n2)CC1 ZINC000365120611 498307278 /nfs/dbraw/zinc/30/72/78/498307278.db2.gz ZMHPLCWUUFIKQF-UHFFFAOYSA-N 1 2 371.510 3.209 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139598 498318212 /nfs/dbraw/zinc/31/82/12/498318212.db2.gz RQGRNJWESJQTQZ-MOPGFXCFSA-N 1 2 350.422 3.187 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+]2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000365139598 498318218 /nfs/dbraw/zinc/31/82/18/498318218.db2.gz RQGRNJWESJQTQZ-MOPGFXCFSA-N 1 2 350.422 3.187 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331412798 498323561 /nfs/dbraw/zinc/32/35/61/498323561.db2.gz JQAVRCXBKVPUDV-MRXNPFEDSA-N 1 2 353.426 3.195 20 30 FGEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1cccc(Cl)c1 ZINC000286267968 498345023 /nfs/dbraw/zinc/34/50/23/498345023.db2.gz TXLFKKVNZHMFOD-QGZVFWFLSA-N 1 2 357.845 3.147 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)c1cccc(Cl)c1 ZINC000286267968 498345017 /nfs/dbraw/zinc/34/50/17/498345017.db2.gz TXLFKKVNZHMFOD-QGZVFWFLSA-N 1 2 357.845 3.147 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144806 498399038 /nfs/dbraw/zinc/39/90/38/498399038.db2.gz ZUZXBSOSIWVIHG-IRXDYDNUSA-N 1 2 352.438 3.051 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1=O ZINC000282144806 498399044 /nfs/dbraw/zinc/39/90/44/498399044.db2.gz ZUZXBSOSIWVIHG-IRXDYDNUSA-N 1 2 352.438 3.051 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365327549 498407226 /nfs/dbraw/zinc/40/72/26/498407226.db2.gz PZPCZPRAJKXHRX-KRWDZBQOSA-N 1 2 352.438 3.046 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365327549 498407232 /nfs/dbraw/zinc/40/72/32/498407232.db2.gz PZPCZPRAJKXHRX-KRWDZBQOSA-N 1 2 352.438 3.046 20 30 FGEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000290068405 498416314 /nfs/dbraw/zinc/41/63/14/498416314.db2.gz BQMDQJQXSBWZJJ-OAQYLSRUSA-N 1 2 363.461 3.076 20 30 FGEDLO Cc1cc2ccccc2c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000297374152 498426586 /nfs/dbraw/zinc/42/65/86/498426586.db2.gz KTMVPNFGRRIAKD-UHFFFAOYSA-N 1 2 366.465 3.228 20 30 FGEDLO Cc1cccc([C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000302194157 498436621 /nfs/dbraw/zinc/43/66/21/498436621.db2.gz CZOALHIPOUDUSQ-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293686298 498454682 /nfs/dbraw/zinc/45/46/82/498454682.db2.gz RTZRWNPSSCMDPS-SFHVURJKSA-N 1 2 351.454 3.208 20 30 FGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000332100195 498561126 /nfs/dbraw/zinc/56/11/26/498561126.db2.gz DTWCAYQOVPCXNR-CQSZACIVSA-N 1 2 354.841 3.126 20 30 FGEDLO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365620271 498561736 /nfs/dbraw/zinc/56/17/36/498561736.db2.gz SYICOXPXTQBESY-UHFFFAOYSA-N 1 2 370.434 3.106 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287180466 498662845 /nfs/dbraw/zinc/66/28/45/498662845.db2.gz KDQBJJKJNHIMAZ-UHFFFAOYSA-N 1 2 362.231 3.071 20 30 FGEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282936186 498715728 /nfs/dbraw/zinc/71/57/28/498715728.db2.gz MFWMGFBVZSLWKU-UHFFFAOYSA-N 1 2 372.517 3.061 20 30 FGEDLO N#Cc1cc(F)c(N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000320304603 498806391 /nfs/dbraw/zinc/80/63/91/498806391.db2.gz JJGFATAOXZVYRT-UHFFFAOYSA-N 1 2 361.218 3.181 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cscc1C(F)(F)F ZINC000579063295 506084578 /nfs/dbraw/zinc/08/45/78/506084578.db2.gz YIGFXYZWBLMHPG-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cscc1C(F)(F)F ZINC000579063295 506084581 /nfs/dbraw/zinc/08/45/81/506084581.db2.gz YIGFXYZWBLMHPG-NSHDSACASA-N 1 2 367.400 3.139 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283335924 498855631 /nfs/dbraw/zinc/85/56/31/498855631.db2.gz ARAXIWFHEWAKCN-SCTDSRPQSA-N 1 2 372.513 3.090 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCCC13CCOCC3)C2 ZINC000328700325 498906176 /nfs/dbraw/zinc/90/61/76/498906176.db2.gz IQHMFEBXDWNTOW-KRWDZBQOSA-N 1 2 360.502 3.165 20 30 FGEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000328749481 498925717 /nfs/dbraw/zinc/92/57/17/498925717.db2.gz BQKMWBLJHFODCA-KRWDZBQOSA-N 1 2 358.486 3.260 20 30 FGEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000328749481 498925722 /nfs/dbraw/zinc/92/57/22/498925722.db2.gz BQKMWBLJHFODCA-KRWDZBQOSA-N 1 2 358.486 3.260 20 30 FGEDLO C#Cc1ccccc1CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000291400450 498926061 /nfs/dbraw/zinc/92/60/61/498926061.db2.gz IOCVDTQIDVMFIM-UHFFFAOYSA-N 1 2 369.468 3.235 20 30 FGEDLO Cc1[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c[nH+]1 ZINC000328790731 498940489 /nfs/dbraw/zinc/94/04/89/498940489.db2.gz QMPDMGVQYGOVBV-JTQLQIEISA-N 1 2 373.766 3.369 20 30 FGEDLO N#Cc1ccc(N2CCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000363699220 498949625 /nfs/dbraw/zinc/94/96/25/498949625.db2.gz QTWSCBMYTUEOKG-UHFFFAOYSA-N 1 2 371.444 3.096 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363721289 498959954 /nfs/dbraw/zinc/95/99/54/498959954.db2.gz UADYMKGUAVHBIV-WBVHZDCISA-N 1 2 365.399 3.439 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363721289 498959956 /nfs/dbraw/zinc/95/99/56/498959956.db2.gz UADYMKGUAVHBIV-WBVHZDCISA-N 1 2 365.399 3.439 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1OC ZINC000366533969 498967862 /nfs/dbraw/zinc/96/78/62/498967862.db2.gz JOTRIPJCMBGPGX-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1OC ZINC000366533969 498967866 /nfs/dbraw/zinc/96/78/66/498967866.db2.gz JOTRIPJCMBGPGX-KRWDZBQOSA-N 1 2 367.511 3.049 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1)c1ccc2c(c1)OCCO2 ZINC000328882941 498972726 /nfs/dbraw/zinc/97/27/26/498972726.db2.gz MZYQMMDPGKARJF-UWJYYQICSA-N 1 2 374.481 3.222 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCOC[C@H]1C1CC1)c1ccc2c(c1)OCCO2 ZINC000328882941 498972732 /nfs/dbraw/zinc/97/27/32/498972732.db2.gz MZYQMMDPGKARJF-UWJYYQICSA-N 1 2 374.481 3.222 20 30 FGEDLO CO[C@@H]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000328902731 498979652 /nfs/dbraw/zinc/97/96/52/498979652.db2.gz GYHYVXDKIGESGN-UKRRQHHQSA-N 1 2 352.504 3.031 20 30 FGEDLO CO[C@@H]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000328902731 498979659 /nfs/dbraw/zinc/97/96/59/498979659.db2.gz GYHYVXDKIGESGN-UKRRQHHQSA-N 1 2 352.504 3.031 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000328914743 498983292 /nfs/dbraw/zinc/98/32/92/498983292.db2.gz JCHGLKICBGRIEV-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000328914743 498983298 /nfs/dbraw/zinc/98/32/98/498983298.db2.gz JCHGLKICBGRIEV-UHFFFAOYSA-N 1 2 355.482 3.195 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Cl)c1 ZINC000328920438 498985524 /nfs/dbraw/zinc/98/55/24/498985524.db2.gz BBQRBGDKAPKUAF-CFVMTHIKSA-N 1 2 364.877 3.236 20 30 FGEDLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Cl)c1 ZINC000328920438 498985527 /nfs/dbraw/zinc/98/55/27/498985527.db2.gz BBQRBGDKAPKUAF-CFVMTHIKSA-N 1 2 364.877 3.236 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328933794 498990894 /nfs/dbraw/zinc/99/08/94/498990894.db2.gz BYYFTGHIODFKCX-KFKAGJAMSA-N 1 2 360.498 3.434 20 30 FGEDLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328933794 498990898 /nfs/dbraw/zinc/99/08/98/498990898.db2.gz BYYFTGHIODFKCX-KFKAGJAMSA-N 1 2 360.498 3.434 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000328973600 499002633 /nfs/dbraw/zinc/00/26/33/499002633.db2.gz PJXLFTOBICGKSH-DIKOGFFKSA-N 1 2 372.513 3.360 20 30 FGEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C2CCC(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000328993235 499009237 /nfs/dbraw/zinc/00/92/37/499009237.db2.gz VTVWCASLKQMHIJ-ROUUACIJSA-N 1 2 364.873 3.428 20 30 FGEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C2CCC(=O)CC2)c2ccc(Cl)cc2)C1 ZINC000328993235 499009240 /nfs/dbraw/zinc/00/92/40/499009240.db2.gz VTVWCASLKQMHIJ-ROUUACIJSA-N 1 2 364.873 3.428 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329025406 499018388 /nfs/dbraw/zinc/01/83/88/499018388.db2.gz JKUXZWNYOXCECG-JQWIXIFHSA-N 1 2 361.833 3.461 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329025406 499018392 /nfs/dbraw/zinc/01/83/92/499018392.db2.gz JKUXZWNYOXCECG-JQWIXIFHSA-N 1 2 361.833 3.461 20 30 FGEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329073776 499033499 /nfs/dbraw/zinc/03/34/99/499033499.db2.gz OYCFYYTUZZQZAL-BHIYHBOVSA-N 1 2 360.502 3.410 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000363916580 499051862 /nfs/dbraw/zinc/05/18/62/499051862.db2.gz BFYFXFHXFLJNOB-KRWDZBQOSA-N 1 2 369.494 3.120 20 30 FGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000363916580 499051866 /nfs/dbraw/zinc/05/18/66/499051866.db2.gz BFYFXFHXFLJNOB-KRWDZBQOSA-N 1 2 369.494 3.120 20 30 FGEDLO COc1ccc2c(c1)CCN2C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329227038 499077868 /nfs/dbraw/zinc/07/78/68/499077868.db2.gz HWDUMVXRYPEWMJ-HNNXBMFYSA-N 1 2 368.481 3.481 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865961 499098898 /nfs/dbraw/zinc/09/88/98/499098898.db2.gz PWZVZMZDGHKCDZ-WFASDCNBSA-N 1 2 360.845 3.170 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000366865961 499098904 /nfs/dbraw/zinc/09/89/04/499098904.db2.gz PWZVZMZDGHKCDZ-WFASDCNBSA-N 1 2 360.845 3.170 20 30 FGEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1snc(C)c1C#N ZINC000329335313 499102771 /nfs/dbraw/zinc/10/27/71/499102771.db2.gz OKUBPRZKZIGSBQ-STQMWFEESA-N 1 2 365.503 3.137 20 30 FGEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1snc(C)c1C#N ZINC000329335313 499102773 /nfs/dbraw/zinc/10/27/73/499102773.db2.gz OKUBPRZKZIGSBQ-STQMWFEESA-N 1 2 365.503 3.137 20 30 FGEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2C2CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329368516 499110167 /nfs/dbraw/zinc/11/01/67/499110167.db2.gz HXXOXYSJJLCKLR-QGTPRVQTSA-N 1 2 358.486 3.471 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCOCC4(CC4)C3)sc2c1 ZINC000329487851 499127768 /nfs/dbraw/zinc/12/77/68/499127768.db2.gz XXBWMIVGFAFUQC-UHFFFAOYSA-N 1 2 361.467 3.395 20 30 FGEDLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCOCC4(CC4)C3)sc2c1 ZINC000329487851 499127769 /nfs/dbraw/zinc/12/77/69/499127769.db2.gz XXBWMIVGFAFUQC-UHFFFAOYSA-N 1 2 361.467 3.395 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000372537286 499142186 /nfs/dbraw/zinc/14/21/86/499142186.db2.gz HWWBWHIAAVUJQU-RDJZCZTQSA-N 1 2 363.506 3.119 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000372537286 499142188 /nfs/dbraw/zinc/14/21/88/499142188.db2.gz HWWBWHIAAVUJQU-RDJZCZTQSA-N 1 2 363.506 3.119 20 30 FGEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000372606700 499153009 /nfs/dbraw/zinc/15/30/09/499153009.db2.gz GXZWCMDVFIEHDJ-HSZRJFAPSA-N 1 2 370.456 3.291 20 30 FGEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000372606700 499153011 /nfs/dbraw/zinc/15/30/11/499153011.db2.gz GXZWCMDVFIEHDJ-HSZRJFAPSA-N 1 2 370.456 3.291 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000370532648 499229391 /nfs/dbraw/zinc/22/93/91/499229391.db2.gz CLHNZEFZEPSMHO-UHFFFAOYSA-N 1 2 351.841 3.440 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)NCC(C)(C)CCC#N)c1[nH+]ccn1C ZINC000367899797 499243253 /nfs/dbraw/zinc/24/32/53/499243253.db2.gz ILAJJCQCGVRBKU-QGZVFWFLSA-N 1 2 369.469 3.147 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cscc3C#N)CC2)c1 ZINC000576365487 506141170 /nfs/dbraw/zinc/14/11/70/506141170.db2.gz YAQIONYTUWEKCB-AWEZNQCLSA-N 1 2 355.463 3.147 20 30 FGEDLO C#C[C@H]([NH2+]Cc1cnc(-c2cnn(C)c2)nc1)c1ccc(Cl)cc1F ZINC000368039851 499258414 /nfs/dbraw/zinc/25/84/14/499258414.db2.gz SEMGYPBSKKBIMY-KRWDZBQOSA-N 1 2 355.804 3.134 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1)OCC ZINC000371066360 499285348 /nfs/dbraw/zinc/28/53/48/499285348.db2.gz ZWBHCIYCQUBKRS-MJGOQNOKSA-N 1 2 357.454 3.006 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000368668343 499319983 /nfs/dbraw/zinc/31/99/83/499319983.db2.gz LCAFQKOYOMYKBJ-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]n1 ZINC000368668343 499319984 /nfs/dbraw/zinc/31/99/84/499319984.db2.gz LCAFQKOYOMYKBJ-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000368668343 499319985 /nfs/dbraw/zinc/31/99/85/499319985.db2.gz LCAFQKOYOMYKBJ-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1 ZINC000368668343 499319986 /nfs/dbraw/zinc/31/99/86/499319986.db2.gz LCAFQKOYOMYKBJ-AWEZNQCLSA-N 1 2 357.845 3.061 20 30 FGEDLO COCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464211 499330502 /nfs/dbraw/zinc/33/05/02/499330502.db2.gz PRQFAMMXGNTLQX-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO COCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371464211 499330503 /nfs/dbraw/zinc/33/05/03/499330503.db2.gz PRQFAMMXGNTLQX-NRFANRHFSA-N 1 2 352.434 3.157 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000371478388 499332430 /nfs/dbraw/zinc/33/24/30/499332430.db2.gz WRWLNBITOJJYQA-JOCHJYFZSA-N 1 2 358.445 3.160 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368812322 499335336 /nfs/dbraw/zinc/33/53/36/499335336.db2.gz NCCLCWTVCDBXBV-ZIAGYGMSSA-N 1 2 360.433 3.339 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1C ZINC000368870980 499341866 /nfs/dbraw/zinc/34/18/66/499341866.db2.gz VPTQSPOLTDGSCK-GOSISDBHSA-N 1 2 371.481 3.370 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1C ZINC000368870980 499341867 /nfs/dbraw/zinc/34/18/67/499341867.db2.gz VPTQSPOLTDGSCK-GOSISDBHSA-N 1 2 371.481 3.370 20 30 FGEDLO Cc1[nH+]c2ccc(C(=O)N3CCCN(c4ccccc4C#N)CC3)cc2n1C ZINC000369131983 499369022 /nfs/dbraw/zinc/36/90/22/499369022.db2.gz WKVWHJKZVWQOMG-UHFFFAOYSA-N 1 2 373.460 3.106 20 30 FGEDLO C=CCc1ccc(OCC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000372251033 499413454 /nfs/dbraw/zinc/41/34/54/499413454.db2.gz HSTKVSKDZHZGOU-QGZVFWFLSA-N 1 2 369.465 3.001 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369675732 499435023 /nfs/dbraw/zinc/43/50/23/499435023.db2.gz IMMKBWKAHUBQFK-UHFFFAOYSA-N 1 2 373.254 3.154 20 30 FGEDLO CC[N@H+](CC(=O)N(CCC#N)Cc1ccccn1)Cc1ccccc1Cl ZINC000573214838 506146470 /nfs/dbraw/zinc/14/64/70/506146470.db2.gz HZLCSXRRSITPTB-UHFFFAOYSA-N 1 2 370.884 3.499 20 30 FGEDLO CC[N@@H+](CC(=O)N(CCC#N)Cc1ccccn1)Cc1ccccc1Cl ZINC000573214838 506146474 /nfs/dbraw/zinc/14/64/74/506146474.db2.gz HZLCSXRRSITPTB-UHFFFAOYSA-N 1 2 370.884 3.499 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107376 499451775 /nfs/dbraw/zinc/45/17/75/499451775.db2.gz RYOIVIUBTVDTSQ-PBHICJAKSA-N 1 2 365.355 3.348 20 30 FGEDLO N#Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000373107376 499451776 /nfs/dbraw/zinc/45/17/76/499451776.db2.gz RYOIVIUBTVDTSQ-PBHICJAKSA-N 1 2 365.355 3.348 20 30 FGEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000373126507 499452751 /nfs/dbraw/zinc/45/27/51/499452751.db2.gz QMTSYSMKFJWMGD-MRXNPFEDSA-N 1 2 359.433 3.293 20 30 FGEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1OC ZINC000373752388 499486502 /nfs/dbraw/zinc/48/65/02/499486502.db2.gz WMQBXROOEALJDC-ROUUACIJSA-N 1 2 359.466 3.220 20 30 FGEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1OC ZINC000373752388 499486503 /nfs/dbraw/zinc/48/65/03/499486503.db2.gz WMQBXROOEALJDC-ROUUACIJSA-N 1 2 359.466 3.220 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000378442036 499517262 /nfs/dbraw/zinc/51/72/62/499517262.db2.gz BWWYPWBGMZOGIG-CRAIPNDOSA-N 1 2 369.469 3.031 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000378442038 499517455 /nfs/dbraw/zinc/51/74/55/499517455.db2.gz BWWYPWBGMZOGIG-QAPCUYQASA-N 1 2 369.469 3.031 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@](C)(O)C1 ZINC000408052243 499574899 /nfs/dbraw/zinc/57/48/99/499574899.db2.gz ALRGMOLLNWBYDZ-DJJJIMSYSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@](C)(O)C1 ZINC000408052243 499574901 /nfs/dbraw/zinc/57/49/01/499574901.db2.gz ALRGMOLLNWBYDZ-DJJJIMSYSA-N 1 2 361.511 3.062 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]3OCC[C@H]32)ccc1Cl ZINC000376666584 499627271 /nfs/dbraw/zinc/62/72/71/499627271.db2.gz UPEFKGADFRWETB-QZTJIDSGSA-N 1 2 361.873 3.148 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]3OCC[C@H]32)ccc1Cl ZINC000376666584 499627273 /nfs/dbraw/zinc/62/72/73/499627273.db2.gz UPEFKGADFRWETB-QZTJIDSGSA-N 1 2 361.873 3.148 20 30 FGEDLO N#CC1(c2ccccn2)CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000376736469 499633021 /nfs/dbraw/zinc/63/30/21/499633021.db2.gz LBYKLABLMABCTJ-UHFFFAOYSA-N 1 2 357.461 3.384 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000376736469 499633022 /nfs/dbraw/zinc/63/30/22/499633022.db2.gz LBYKLABLMABCTJ-UHFFFAOYSA-N 1 2 357.461 3.384 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376962546 499649841 /nfs/dbraw/zinc/64/98/41/499649841.db2.gz VNSCAODKJYBSCD-MJGOQNOKSA-N 1 2 362.395 3.018 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376962546 499649842 /nfs/dbraw/zinc/64/98/42/499649842.db2.gz VNSCAODKJYBSCD-MJGOQNOKSA-N 1 2 362.395 3.018 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000411135824 499701534 /nfs/dbraw/zinc/70/15/34/499701534.db2.gz MFKDNOIUEOZXQY-CQSZACIVSA-N 1 2 357.479 3.123 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000411135824 499701536 /nfs/dbraw/zinc/70/15/36/499701536.db2.gz MFKDNOIUEOZXQY-CQSZACIVSA-N 1 2 357.479 3.123 20 30 FGEDLO Cc1ccc2ncc(C[N@@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400742 499735071 /nfs/dbraw/zinc/73/50/71/499735071.db2.gz KWTDAPYMSAUKTI-MBSDFSHPSA-N 1 2 368.440 3.389 20 30 FGEDLO Cc1ccc2ncc(C[N@H+]3C[C@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400742 499735073 /nfs/dbraw/zinc/73/50/73/499735073.db2.gz KWTDAPYMSAUKTI-MBSDFSHPSA-N 1 2 368.440 3.389 20 30 FGEDLO C=C(C)C(C)(C)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000424859629 499956826 /nfs/dbraw/zinc/95/68/26/499956826.db2.gz APHQQZKHIACCNF-UHFFFAOYSA-N 1 2 368.275 3.222 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945223 499965968 /nfs/dbraw/zinc/96/59/68/499965968.db2.gz KCTVZLNNUFYUQH-XOKHGSTOSA-N 1 2 368.399 3.254 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000428945223 499965970 /nfs/dbraw/zinc/96/59/70/499965970.db2.gz KCTVZLNNUFYUQH-XOKHGSTOSA-N 1 2 368.399 3.254 20 30 FGEDLO Cc1ccn2cc(CNC(=O)Nc3cc(C)c(N(C)C)cc3C#N)[nH+]c2c1 ZINC000417124258 499979382 /nfs/dbraw/zinc/97/93/82/499979382.db2.gz DFDKXDCYCLDFRT-UHFFFAOYSA-N 1 2 362.437 3.211 20 30 FGEDLO COc1ccc(C)cc1C1(CNc2cc(C)[nH+]cc2C#N)CCOCC1 ZINC000425205618 500043806 /nfs/dbraw/zinc/04/38/06/500043806.db2.gz BVMMGBHWKYOLOO-UHFFFAOYSA-N 1 2 351.450 3.161 20 30 FGEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000425375323 500089484 /nfs/dbraw/zinc/08/94/84/500089484.db2.gz SRLIMTQAUSJRED-UHFFFAOYSA-N 1 2 357.410 3.169 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425381815 500090053 /nfs/dbraw/zinc/09/00/53/500090053.db2.gz HJFMKQXWIVKDMW-UHFFFAOYSA-N 1 2 356.538 3.248 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425381815 500090055 /nfs/dbraw/zinc/09/00/55/500090055.db2.gz HJFMKQXWIVKDMW-UHFFFAOYSA-N 1 2 356.538 3.248 20 30 FGEDLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000429722136 500131814 /nfs/dbraw/zinc/13/18/14/500131814.db2.gz RZHRPMFNDQTSKL-IBGZPJMESA-N 1 2 362.433 3.458 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000570488197 506178836 /nfs/dbraw/zinc/17/88/36/506178836.db2.gz POHQMPXPZZMOTM-CYBMUJFWSA-N 1 2 357.483 3.240 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000570488197 506178837 /nfs/dbraw/zinc/17/88/37/506178837.db2.gz POHQMPXPZZMOTM-CYBMUJFWSA-N 1 2 357.483 3.240 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(CC#N)CC2)C[C@@H](C)O1 ZINC000431111102 500337275 /nfs/dbraw/zinc/33/72/75/500337275.db2.gz JYFYXKPELKYVBN-HZPDHXFCSA-N 1 2 356.470 3.111 20 30 FGEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(CC#N)CC2)C[C@H](C)O1 ZINC000431111098 500337450 /nfs/dbraw/zinc/33/74/50/500337450.db2.gz JYFYXKPELKYVBN-HOTGVXAUSA-N 1 2 356.470 3.111 20 30 FGEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000427678363 500420460 /nfs/dbraw/zinc/42/04/60/500420460.db2.gz LISOPKLHGMVQRX-INIZCTEOSA-N 1 2 366.465 3.268 20 30 FGEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1 ZINC000432401837 500511111 /nfs/dbraw/zinc/51/11/11/500511111.db2.gz OIMXQEDTHYRQKS-UHFFFAOYSA-N 1 2 359.433 3.491 20 30 FGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000428462218 500513547 /nfs/dbraw/zinc/51/35/47/500513547.db2.gz KDBSJJOTLQIEBA-UHFFFAOYSA-N 1 2 355.388 3.231 20 30 FGEDLO C=CCC(C)(C)CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000432560555 500532394 /nfs/dbraw/zinc/53/23/94/500532394.db2.gz VDUUJIQKLCTKGQ-UHFFFAOYSA-N 1 2 359.518 3.342 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000428848982 500565737 /nfs/dbraw/zinc/56/57/37/500565737.db2.gz GKOYQJFEPAIVJU-ZDUSSCGKSA-N 1 2 355.511 3.342 20 30 FGEDLO C=CC[N@H+](CCC#N)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000428848982 500565738 /nfs/dbraw/zinc/56/57/38/500565738.db2.gz GKOYQJFEPAIVJU-ZDUSSCGKSA-N 1 2 355.511 3.342 20 30 FGEDLO N#Cc1ccc(F)c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447814790 500668394 /nfs/dbraw/zinc/66/83/94/500668394.db2.gz BMVHCLQHDWCFJT-UHFFFAOYSA-N 1 2 370.384 3.050 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448334729 500748442 /nfs/dbraw/zinc/74/84/42/500748442.db2.gz KGLYOHIQFQQMSS-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c(F)c1 ZINC000448334275 500748541 /nfs/dbraw/zinc/74/85/41/500748541.db2.gz YQVVCCWOZRWTLD-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000448589929 500779200 /nfs/dbraw/zinc/77/92/00/500779200.db2.gz OAHDSZODIHCKAI-UHFFFAOYSA-N 1 2 356.491 3.200 20 30 FGEDLO Cn1c(C#N)ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448689870 500804653 /nfs/dbraw/zinc/80/46/53/500804653.db2.gz JLUHXZNCMRQAOT-QGZVFWFLSA-N 1 2 374.847 3.256 20 30 FGEDLO C=CC[C@@H](CO)CNC(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434255627 500817174 /nfs/dbraw/zinc/81/71/74/500817174.db2.gz VYMQTELTGFROAK-RDTXWAMCSA-N 1 2 368.880 3.307 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000444205683 500817526 /nfs/dbraw/zinc/81/75/26/500817526.db2.gz NJBWYQWPAVVZOQ-FDYSRKEFSA-N 1 2 361.530 3.341 20 30 FGEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000444205683 500817528 /nfs/dbraw/zinc/81/75/28/500817528.db2.gz NJBWYQWPAVVZOQ-FDYSRKEFSA-N 1 2 361.530 3.341 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611575308 506219204 /nfs/dbraw/zinc/21/92/04/506219204.db2.gz FZNJKZQXCKGMJR-GOSISDBHSA-N 1 2 364.367 3.492 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611575308 506219209 /nfs/dbraw/zinc/21/92/09/506219209.db2.gz FZNJKZQXCKGMJR-GOSISDBHSA-N 1 2 364.367 3.492 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722714 500887717 /nfs/dbraw/zinc/88/77/17/500887717.db2.gz INZBAYGKABSUAO-TZMCWYRMSA-N 1 2 364.314 3.295 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722714 500887719 /nfs/dbraw/zinc/88/77/19/500887719.db2.gz INZBAYGKABSUAO-TZMCWYRMSA-N 1 2 364.314 3.295 20 30 FGEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000444762615 500894072 /nfs/dbraw/zinc/89/40/72/500894072.db2.gz AQWNAKNFBSSFNY-ZDUSSCGKSA-N 1 2 373.840 3.474 20 30 FGEDLO Cn1c[nH+]cc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000439554483 500913331 /nfs/dbraw/zinc/91/33/31/500913331.db2.gz VPEQCMBMXSOTLF-UHFFFAOYSA-N 1 2 373.441 3.283 20 30 FGEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccn1 ZINC000435334568 500956921 /nfs/dbraw/zinc/95/69/21/500956921.db2.gz ZNNBORPZRRTAKM-UHFFFAOYSA-N 1 2 365.824 3.146 20 30 FGEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCc2ccccc21 ZINC000592747156 506227269 /nfs/dbraw/zinc/22/72/69/506227269.db2.gz LVUFCGMZJYGRCT-HSZRJFAPSA-N 1 2 359.473 3.107 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cn1 ZINC000440491890 501015191 /nfs/dbraw/zinc/01/51/91/501015191.db2.gz XDEQFOLFPRSFJX-UHFFFAOYSA-N 1 2 369.494 3.286 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cn1 ZINC000440491890 501015193 /nfs/dbraw/zinc/01/51/93/501015193.db2.gz XDEQFOLFPRSFJX-UHFFFAOYSA-N 1 2 369.494 3.286 20 30 FGEDLO CCOc1ccccc1OCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000440628971 501030888 /nfs/dbraw/zinc/03/08/88/501030888.db2.gz XEXYTGLQCWEXAO-HXUWFJFHSA-N 1 2 365.477 3.347 20 30 FGEDLO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2cc(C#N)cn2C)c1 ZINC000440875985 501059108 /nfs/dbraw/zinc/05/91/08/501059108.db2.gz PLEAREGLILYAGB-UHFFFAOYSA-N 1 2 353.813 3.429 20 30 FGEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000436115736 501073068 /nfs/dbraw/zinc/07/30/68/501073068.db2.gz QLVNPDCWTIQZHB-UHFFFAOYSA-N 1 2 373.210 3.108 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000450333733 501093011 /nfs/dbraw/zinc/09/30/11/501093011.db2.gz QWWZNRQRRHUAAQ-UHFFFAOYSA-N 1 2 371.488 3.320 20 30 FGEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc(OC)c1 ZINC000441205856 501103246 /nfs/dbraw/zinc/10/32/46/501103246.db2.gz KXDONIPTSHXAPQ-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc(OC)c1 ZINC000441205856 501103249 /nfs/dbraw/zinc/10/32/49/501103249.db2.gz KXDONIPTSHXAPQ-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO CCc1nc(C(C)(C)[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)no1 ZINC000441205656 501103564 /nfs/dbraw/zinc/10/35/64/501103564.db2.gz IUMZEIWEASPWGV-UHFFFAOYSA-N 1 2 358.442 3.348 20 30 FGEDLO N#Cc1cccc(C#N)c1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000436317958 501106787 /nfs/dbraw/zinc/10/67/87/501106787.db2.gz AKGFTIPEGGPPPS-UHFFFAOYSA-N 1 2 352.195 3.452 20 30 FGEDLO C=C(C)COCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441521737 501151315 /nfs/dbraw/zinc/15/13/15/501151315.db2.gz FCXMEJVYYHRSRI-LJQANCHMSA-N 1 2 356.470 3.133 20 30 FGEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000455284806 501262788 /nfs/dbraw/zinc/26/27/88/501262788.db2.gz SJHPAWSLMSPUCX-YJBOKZPZSA-N 1 2 360.889 3.250 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)ncc1C#N ZINC000457796232 501310543 /nfs/dbraw/zinc/31/05/43/501310543.db2.gz DZXVTLRZPWONFU-UHFFFAOYSA-N 1 2 368.868 3.182 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000451597348 501333482 /nfs/dbraw/zinc/33/34/82/501333482.db2.gz MNNCSVQBTWALMP-MSOLQXFVSA-N 1 2 359.857 3.156 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC#N)c1)c1c(F)cccc1F ZINC000455924324 501417080 /nfs/dbraw/zinc/41/70/80/501417080.db2.gz VOPKBNTYEZYICY-QGZVFWFLSA-N 1 2 358.392 3.455 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000458498967 501459100 /nfs/dbraw/zinc/45/91/00/501459100.db2.gz IGHVNZQXTDWYDX-CVEARBPZSA-N 1 2 365.543 3.411 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000458498967 501459104 /nfs/dbraw/zinc/45/91/04/501459104.db2.gz IGHVNZQXTDWYDX-CVEARBPZSA-N 1 2 365.543 3.411 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458573756 501477913 /nfs/dbraw/zinc/47/79/13/501477913.db2.gz AFFRRSLMUGBEPQ-HOTGVXAUSA-N 1 2 366.868 3.463 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458573756 501477912 /nfs/dbraw/zinc/47/79/12/501477912.db2.gz AFFRRSLMUGBEPQ-HOTGVXAUSA-N 1 2 366.868 3.463 20 30 FGEDLO N#CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000611687838 506256494 /nfs/dbraw/zinc/25/64/94/506256494.db2.gz LKULXBJYZRLKFV-UHFFFAOYSA-N 1 2 350.344 3.480 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458794814 501533322 /nfs/dbraw/zinc/53/33/22/501533322.db2.gz BPIIPGFHRHZLBQ-MSOLQXFVSA-N 1 2 351.454 3.354 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)c1C ZINC000459126550 501598977 /nfs/dbraw/zinc/59/89/77/501598977.db2.gz RSIQCCJRVPMCEP-UHFFFAOYSA-N 1 2 356.401 3.059 20 30 FGEDLO CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000459391012 501645262 /nfs/dbraw/zinc/64/52/62/501645262.db2.gz JUUDCRLKSRVCSL-MRXNPFEDSA-N 1 2 353.378 3.479 20 30 FGEDLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459450412 501656115 /nfs/dbraw/zinc/65/61/15/501656115.db2.gz AHOQLAFYDLLGTA-TZMCWYRMSA-N 1 2 363.483 3.016 20 30 FGEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459456839 501657242 /nfs/dbraw/zinc/65/72/42/501657242.db2.gz CKNJBYIHPQENDG-ZANVPECISA-N 1 2 370.236 3.000 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000459485417 501661563 /nfs/dbraw/zinc/66/15/63/501661563.db2.gz JFAMOUOLFMROAL-LJQANCHMSA-N 1 2 351.406 3.460 20 30 FGEDLO COCCCOC1C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000459590033 501682907 /nfs/dbraw/zinc/68/29/07/501682907.db2.gz ISJQWMXTSSMEIM-UHFFFAOYSA-N 1 2 366.461 3.375 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccn(C)n2)c1C#N ZINC000459775232 501712277 /nfs/dbraw/zinc/71/22/77/501712277.db2.gz CRUJKSJTUZFDIK-CQSZACIVSA-N 1 2 368.485 3.115 20 30 FGEDLO N#CC[C@]1(O)CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000592843906 506275733 /nfs/dbraw/zinc/27/57/33/506275733.db2.gz HQSHSIDRPMZUET-SFHVURJKSA-N 1 2 357.797 3.018 20 30 FGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)C(=O)OC ZINC000602735352 506278686 /nfs/dbraw/zinc/27/86/86/506278686.db2.gz VSRYFMLQUMCNRS-DOMZBBRYSA-N 1 2 368.861 3.163 20 30 FGEDLO COC(=O)c1coc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470999114 501886692 /nfs/dbraw/zinc/88/66/92/501886692.db2.gz ZLOYXQGEPCNNHD-SFHVURJKSA-N 1 2 373.840 3.102 20 30 FGEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000474691943 501923199 /nfs/dbraw/zinc/92/31/99/501923199.db2.gz BNQAGKBFARSGOO-NSHDSACASA-N 1 2 354.360 3.372 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468139508 501970564 /nfs/dbraw/zinc/97/05/64/501970564.db2.gz BUSROPJGMDDDHQ-FQEVSTJZSA-N 1 2 365.502 3.182 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468139508 501970571 /nfs/dbraw/zinc/97/05/71/501970571.db2.gz BUSROPJGMDDDHQ-FQEVSTJZSA-N 1 2 365.502 3.182 20 30 FGEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000464563153 502026985 /nfs/dbraw/zinc/02/69/85/502026985.db2.gz FRXMHHHKRFBLRG-MRXNPFEDSA-N 1 2 350.890 3.465 20 30 FGEDLO CCCn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475335880 502139426 /nfs/dbraw/zinc/13/94/26/502139426.db2.gz NGLDYMKXIVHUAG-LJQANCHMSA-N 1 2 357.889 3.329 20 30 FGEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461958650 502253374 /nfs/dbraw/zinc/25/33/74/502253374.db2.gz NRPKYGGZLMKXOL-MSOLQXFVSA-N 1 2 355.486 3.022 20 30 FGEDLO CCOC(=O)c1ccc(C#N)c(SCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000483055234 502258366 /nfs/dbraw/zinc/25/83/66/502258366.db2.gz DZJYQOLLTVUPNJ-UHFFFAOYSA-N 1 2 370.356 3.181 20 30 FGEDLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cccc(C#N)c1 ZINC000462025984 502278939 /nfs/dbraw/zinc/27/89/39/502278939.db2.gz LIKZKJCZMWGUNY-RHSMWYFYSA-N 1 2 350.466 3.287 20 30 FGEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000476187741 502407729 /nfs/dbraw/zinc/40/77/29/502407729.db2.gz GXGSGPCPORKQRL-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO C=CCC1(C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)CCC1 ZINC000480018813 502447987 /nfs/dbraw/zinc/44/79/87/502447987.db2.gz QTPBJZMOFIRBDC-UHFFFAOYSA-N 1 2 368.481 3.123 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469515288 502448084 /nfs/dbraw/zinc/44/80/84/502448084.db2.gz KMDCASNYDWUCRF-OAHLLOKOSA-N 1 2 369.387 3.244 20 30 FGEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469515288 502448088 /nfs/dbraw/zinc/44/80/88/502448088.db2.gz KMDCASNYDWUCRF-OAHLLOKOSA-N 1 2 369.387 3.244 20 30 FGEDLO CC1(C)CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000466002762 502450061 /nfs/dbraw/zinc/45/00/61/502450061.db2.gz DAADYJCROXKFHA-UHFFFAOYSA-N 1 2 354.498 3.354 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148300 502528938 /nfs/dbraw/zinc/52/89/38/502528938.db2.gz AHECWTVNIGJPCV-VLIAUNLRSA-N 1 2 361.436 3.497 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473148300 502528943 /nfs/dbraw/zinc/52/89/43/502528943.db2.gz AHECWTVNIGJPCV-VLIAUNLRSA-N 1 2 361.436 3.497 20 30 FGEDLO Cc1cccc(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)[nH+]1 ZINC000480500268 502584023 /nfs/dbraw/zinc/58/40/23/502584023.db2.gz QBDPXOZQYAUEQA-UHFFFAOYSA-N 1 2 354.360 3.488 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)ccc1Cl ZINC000488196731 502655288 /nfs/dbraw/zinc/65/52/88/502655288.db2.gz JNMFRPKDBOAVLM-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)ccc1Cl ZINC000488196731 502655294 /nfs/dbraw/zinc/65/52/94/502655294.db2.gz JNMFRPKDBOAVLM-HNNXBMFYSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854267 506326995 /nfs/dbraw/zinc/32/69/95/506326995.db2.gz AXHDVYDVUYEZKE-XSLAGTTESA-N 1 2 356.514 3.445 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000488337436 502688524 /nfs/dbraw/zinc/68/85/24/502688524.db2.gz JEXYWJFPTLJQLH-SZNDQCEHSA-N 1 2 360.392 3.152 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)C[C@]12C(=O)Nc1ccccc12 ZINC000488337436 502688532 /nfs/dbraw/zinc/68/85/32/502688532.db2.gz JEXYWJFPTLJQLH-SZNDQCEHSA-N 1 2 360.392 3.152 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859400 506330047 /nfs/dbraw/zinc/33/00/47/506330047.db2.gz XXMDQBYCHBDGSE-ULQDDVLXSA-N 1 2 356.514 3.057 20 30 FGEDLO CCOCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000477459408 502779155 /nfs/dbraw/zinc/77/91/55/502779155.db2.gz JTQULNBIIJZQFK-UHFFFAOYSA-N 1 2 369.509 3.189 20 30 FGEDLO Cc1ccc(C(C)(C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000484994579 502795688 /nfs/dbraw/zinc/79/56/88/502795688.db2.gz QSTFYJCOCLETGK-UHFFFAOYSA-N 1 2 361.489 3.489 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1)CCCCC2 ZINC000602879844 506335555 /nfs/dbraw/zinc/33/55/55/506335555.db2.gz GLJBTSFMYZQIEZ-INIZCTEOSA-N 1 2 369.494 3.387 20 30 FGEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1)CCCCC2 ZINC000602879844 506335563 /nfs/dbraw/zinc/33/55/63/506335563.db2.gz GLJBTSFMYZQIEZ-INIZCTEOSA-N 1 2 369.494 3.387 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000509168842 502838923 /nfs/dbraw/zinc/83/89/23/502838923.db2.gz HIQIFUQROZKTQK-UHFFFAOYSA-N 1 2 353.557 3.057 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602883742 506337633 /nfs/dbraw/zinc/33/76/33/506337633.db2.gz XHSCSJAPJYUZDV-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602883742 506337637 /nfs/dbraw/zinc/33/76/37/506337637.db2.gz XHSCSJAPJYUZDV-LJQANCHMSA-N 1 2 351.454 3.110 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000593017608 506337780 /nfs/dbraw/zinc/33/77/80/506337780.db2.gz IKVLVDFTKIBBBY-NRFANRHFSA-N 1 2 350.466 3.251 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000488968190 502849770 /nfs/dbraw/zinc/84/97/70/502849770.db2.gz POPXUIUUMAKVNJ-HNNXBMFYSA-N 1 2 359.420 3.347 20 30 FGEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000488968190 502849773 /nfs/dbraw/zinc/84/97/73/502849773.db2.gz POPXUIUUMAKVNJ-HNNXBMFYSA-N 1 2 359.420 3.347 20 30 FGEDLO C=CCNC(=O)N1CC[NH+]([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000509399994 502892593 /nfs/dbraw/zinc/89/25/93/502892593.db2.gz OYBRGPCSXTWCNW-MRXNPFEDSA-N 1 2 366.303 3.413 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602897583 506341248 /nfs/dbraw/zinc/34/12/48/506341248.db2.gz KYZUIPHCJZGTII-UHFFFAOYSA-N 1 2 367.478 3.137 20 30 FGEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000505563770 502936582 /nfs/dbraw/zinc/93/65/82/502936582.db2.gz BAXCFJNXSRJWKK-UXHICEINSA-N 1 2 354.498 3.354 20 30 FGEDLO N#Cc1ccc(Cl)c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000505636485 502956717 /nfs/dbraw/zinc/95/67/17/502956717.db2.gz QQBSRAQPENYKGF-UHFFFAOYSA-N 1 2 350.809 3.386 20 30 FGEDLO CN(CC(C)(C)C#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000497448166 502962598 /nfs/dbraw/zinc/96/25/98/502962598.db2.gz VSWXUJBLDAXVEY-UHFFFAOYSA-N 1 2 366.465 3.165 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccoc2)c1C#N ZINC000497456823 502964347 /nfs/dbraw/zinc/96/43/47/502964347.db2.gz NDMRORXAZOPCPI-UHFFFAOYSA-N 1 2 366.421 3.281 20 30 FGEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccoc2)c1C#N ZINC000497456823 502964350 /nfs/dbraw/zinc/96/43/50/502964350.db2.gz NDMRORXAZOPCPI-UHFFFAOYSA-N 1 2 366.421 3.281 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000497752343 503032960 /nfs/dbraw/zinc/03/29/60/503032960.db2.gz ARRQHYGYHCNCJD-JOCHJYFZSA-N 1 2 359.473 3.396 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000506084291 503043804 /nfs/dbraw/zinc/04/38/04/503043804.db2.gz AFYQMTWWYSYNQF-UHFFFAOYSA-N 1 2 357.461 3.266 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4ccc(F)c(F)c4C3)C2=O)cc1 ZINC000489977623 503080347 /nfs/dbraw/zinc/08/03/47/503080347.db2.gz KAWPQIJAFIAUDI-LJQANCHMSA-N 1 2 367.399 3.390 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4ccc(F)c(F)c4C3)C2=O)cc1 ZINC000489977623 503080352 /nfs/dbraw/zinc/08/03/52/503080352.db2.gz KAWPQIJAFIAUDI-LJQANCHMSA-N 1 2 367.399 3.390 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000490037747 503096430 /nfs/dbraw/zinc/09/64/30/503096430.db2.gz JSOQJUZNIIGVDZ-LJQANCHMSA-N 1 2 371.868 3.147 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000490037747 503096434 /nfs/dbraw/zinc/09/64/34/503096434.db2.gz JSOQJUZNIIGVDZ-LJQANCHMSA-N 1 2 371.868 3.147 20 30 FGEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000502194821 503161011 /nfs/dbraw/zinc/16/10/11/503161011.db2.gz LMNNQTFLFSUPES-AWEZNQCLSA-N 1 2 367.453 3.476 20 30 FGEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000506771448 503169535 /nfs/dbraw/zinc/16/95/35/503169535.db2.gz FXNAOWRWAFWHPI-UHFFFAOYSA-N 1 2 358.413 3.470 20 30 FGEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000506771448 503169539 /nfs/dbraw/zinc/16/95/39/503169539.db2.gz FXNAOWRWAFWHPI-UHFFFAOYSA-N 1 2 358.413 3.470 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 ZINC000502512098 503214691 /nfs/dbraw/zinc/21/46/91/503214691.db2.gz RMRVKSUQIOSNLL-UHFFFAOYSA-N 1 2 370.456 3.284 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 ZINC000502512098 503214694 /nfs/dbraw/zinc/21/46/94/503214694.db2.gz RMRVKSUQIOSNLL-UHFFFAOYSA-N 1 2 370.456 3.284 20 30 FGEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000498584672 503220227 /nfs/dbraw/zinc/22/02/27/503220227.db2.gz RZWNKSCURWIXGB-YLJYHZDGSA-N 1 2 362.477 3.463 20 30 FGEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555499 503224077 /nfs/dbraw/zinc/22/40/77/503224077.db2.gz XUQWLAIDDQVAGU-UHFFFAOYSA-N 1 2 351.475 3.334 20 30 FGEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555499 503224081 /nfs/dbraw/zinc/22/40/81/503224081.db2.gz XUQWLAIDDQVAGU-UHFFFAOYSA-N 1 2 351.475 3.334 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000511093882 503253242 /nfs/dbraw/zinc/25/32/42/503253242.db2.gz FIHMZPJULKOWGJ-IBGZPJMESA-N 1 2 363.864 3.500 20 30 FGEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000511093882 503253244 /nfs/dbraw/zinc/25/32/44/503253244.db2.gz FIHMZPJULKOWGJ-IBGZPJMESA-N 1 2 363.864 3.500 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928809 503309476 /nfs/dbraw/zinc/30/94/76/503309476.db2.gz MONITTCEVBMXBF-RBUKOAKNSA-N 1 2 350.466 3.391 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1=O ZINC000502928809 503309480 /nfs/dbraw/zinc/30/94/80/503309480.db2.gz MONITTCEVBMXBF-RBUKOAKNSA-N 1 2 350.466 3.391 20 30 FGEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981039 506371602 /nfs/dbraw/zinc/37/16/02/506371602.db2.gz YWEADKWELRYPJV-UWJYYQICSA-N 1 2 362.477 3.408 20 30 FGEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981039 506371613 /nfs/dbraw/zinc/37/16/13/506371613.db2.gz YWEADKWELRYPJV-UWJYYQICSA-N 1 2 362.477 3.408 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977682 506372019 /nfs/dbraw/zinc/37/20/19/506372019.db2.gz FRJFPKUKVYSBLR-FZMZJTMJSA-N 1 2 370.316 3.093 20 30 FGEDLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977682 506372024 /nfs/dbraw/zinc/37/20/24/506372024.db2.gz FRJFPKUKVYSBLR-FZMZJTMJSA-N 1 2 370.316 3.093 20 30 FGEDLO C=C(C)C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(CO)o1 ZINC000512169092 503475730 /nfs/dbraw/zinc/47/57/30/503475730.db2.gz NMNIDWGKGBBYIN-UHFFFAOYSA-N 1 2 363.479 3.014 20 30 FGEDLO C=C(C)C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(CO)o1 ZINC000512169092 503475732 /nfs/dbraw/zinc/47/57/32/503475732.db2.gz NMNIDWGKGBBYIN-UHFFFAOYSA-N 1 2 363.479 3.014 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000512177891 503477434 /nfs/dbraw/zinc/47/74/34/503477434.db2.gz GXPIKTNLVOOQOG-UHFFFAOYSA-N 1 2 356.382 3.135 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000512177891 503477439 /nfs/dbraw/zinc/47/74/39/503477439.db2.gz GXPIKTNLVOOQOG-UHFFFAOYSA-N 1 2 356.382 3.135 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000512179702 503478685 /nfs/dbraw/zinc/47/86/85/503478685.db2.gz MOXZQPWTCBFVQB-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000512179702 503478689 /nfs/dbraw/zinc/47/86/89/503478689.db2.gz MOXZQPWTCBFVQB-CYBMUJFWSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512215791 503488416 /nfs/dbraw/zinc/48/84/16/503488416.db2.gz XRNCCHLYEHETFR-GOSISDBHSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512215791 503488420 /nfs/dbraw/zinc/48/84/20/503488420.db2.gz XRNCCHLYEHETFR-GOSISDBHSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512215792 503488547 /nfs/dbraw/zinc/48/85/47/503488547.db2.gz XRNCCHLYEHETFR-SFHVURJKSA-N 1 2 370.493 3.206 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccc(CO)o1 ZINC000512215792 503488549 /nfs/dbraw/zinc/48/85/49/503488549.db2.gz XRNCCHLYEHETFR-SFHVURJKSA-N 1 2 370.493 3.206 20 30 FGEDLO CSc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000499944345 503517934 /nfs/dbraw/zinc/51/79/34/503517934.db2.gz HYUFSFCDOKEFQB-UHFFFAOYSA-N 1 2 369.465 3.377 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516543335 503531479 /nfs/dbraw/zinc/53/14/79/503531479.db2.gz PUMXEYSYVKNSEP-CYBMUJFWSA-N 1 2 350.353 3.289 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000512450049 503555394 /nfs/dbraw/zinc/55/53/94/503555394.db2.gz OBCRHCONCTTYMJ-SFHVURJKSA-N 1 2 367.468 3.420 20 30 FGEDLO C[C@H](C#N)CN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504413327 503570603 /nfs/dbraw/zinc/57/06/03/503570603.db2.gz JGTCXGUXFOZTNH-CZUORRHYSA-N 1 2 364.287 3.204 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccc(OC)nc2[nH]1 ZINC000512556773 503583469 /nfs/dbraw/zinc/58/34/69/503583469.db2.gz GPJDOLHDFLWEST-UHFFFAOYSA-N 1 2 354.458 3.322 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nc2ccc(OC)nc2[nH]1 ZINC000512556773 503583476 /nfs/dbraw/zinc/58/34/76/503583476.db2.gz GPJDOLHDFLWEST-UHFFFAOYSA-N 1 2 354.458 3.322 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000516946737 503626957 /nfs/dbraw/zinc/62/69/57/503626957.db2.gz UNZNAGFRSYKIPH-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000516946737 503626961 /nfs/dbraw/zinc/62/69/61/503626961.db2.gz UNZNAGFRSYKIPH-MRXNPFEDSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)c2cccc(C#N)c2C)[NH+]2CCOCC2)s1 ZINC000512826965 503640962 /nfs/dbraw/zinc/64/09/62/503640962.db2.gz JBFUBZLIXJOXJC-SFHVURJKSA-N 1 2 369.490 3.040 20 30 FGEDLO C[C@H](C#N)CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000533139590 503741917 /nfs/dbraw/zinc/74/19/17/503741917.db2.gz IZUHEFTWPNMHCZ-OAHLLOKOSA-N 1 2 353.426 3.118 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000527482243 503804836 /nfs/dbraw/zinc/80/48/36/503804836.db2.gz FOFGNLXEGHXJFY-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cc4c3cccc4Cl)CC2)cc1 ZINC000527688759 503896511 /nfs/dbraw/zinc/89/65/11/503896511.db2.gz RWEIOJHWSOACNZ-LJQANCHMSA-N 1 2 365.864 3.196 20 30 FGEDLO N#CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000543811663 503902941 /nfs/dbraw/zinc/90/29/41/503902941.db2.gz VUBCXKHXWDUTBI-UHFFFAOYSA-N 1 2 354.223 3.152 20 30 FGEDLO Cc1cc(Br)ccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546916001 503925611 /nfs/dbraw/zinc/92/56/11/503925611.db2.gz DKUSNVGSWBFJAZ-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)OCC ZINC000533716168 503932361 /nfs/dbraw/zinc/93/23/61/503932361.db2.gz DJUDETVLDZYBDX-CTNGQTDRSA-N 1 2 374.525 3.107 20 30 FGEDLO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000537533387 503945059 /nfs/dbraw/zinc/94/50/59/503945059.db2.gz MNSWFVWYXIXDAF-ZDUSSCGKSA-N 1 2 353.397 3.091 20 30 FGEDLO COc1cc2c(cc1F)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000537533387 503945061 /nfs/dbraw/zinc/94/50/61/503945061.db2.gz MNSWFVWYXIXDAF-ZDUSSCGKSA-N 1 2 353.397 3.091 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)OC)cc1Cl ZINC000537618047 503976507 /nfs/dbraw/zinc/97/65/07/503976507.db2.gz MJUGXSSGLWQNAU-CQSZACIVSA-N 1 2 355.887 3.385 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)OC)cc1Cl ZINC000537618047 503976509 /nfs/dbraw/zinc/97/65/09/503976509.db2.gz MJUGXSSGLWQNAU-CQSZACIVSA-N 1 2 355.887 3.385 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541162636 504027451 /nfs/dbraw/zinc/02/74/51/504027451.db2.gz BOZAQEATVSGARD-PUECVXPYSA-N 1 2 370.415 3.337 20 30 FGEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541162636 504027455 /nfs/dbraw/zinc/02/74/55/504027455.db2.gz BOZAQEATVSGARD-PUECVXPYSA-N 1 2 370.415 3.337 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)nc1 ZINC000518920070 504093992 /nfs/dbraw/zinc/09/39/92/504093992.db2.gz BZUJMECJZPCNSC-KRWDZBQOSA-N 1 2 373.416 3.488 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1F ZINC000538140262 504144032 /nfs/dbraw/zinc/14/40/32/504144032.db2.gz SRJQVTKYCFLOKO-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1F ZINC000538140262 504144034 /nfs/dbraw/zinc/14/40/34/504144034.db2.gz SRJQVTKYCFLOKO-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000534545107 504170897 /nfs/dbraw/zinc/17/08/97/504170897.db2.gz NJFBWSNONHKBPA-INIZCTEOSA-N 1 2 365.905 3.321 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1F ZINC000531198943 504224284 /nfs/dbraw/zinc/22/42/84/504224284.db2.gz GOUBVUVROOKQHV-KRWDZBQOSA-N 1 2 367.359 3.481 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000531204694 504226737 /nfs/dbraw/zinc/22/67/37/504226737.db2.gz LMVWCMFAMBJAKZ-RTBURBONSA-N 1 2 351.454 3.145 20 30 FGEDLO C=CCCOCCCCC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000538411569 504240317 /nfs/dbraw/zinc/24/03/17/504240317.db2.gz SRHPTGGWCHDDDF-UHFFFAOYSA-N 1 2 357.458 3.289 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000534836987 504255146 /nfs/dbraw/zinc/25/51/46/504255146.db2.gz RBQDDWIVSGVTRA-UHFFFAOYSA-N 1 2 369.490 3.285 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC2 ZINC000534836987 504255150 /nfs/dbraw/zinc/25/51/50/504255150.db2.gz RBQDDWIVSGVTRA-UHFFFAOYSA-N 1 2 369.490 3.285 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)c(C#N)c1C ZINC000528573782 504278832 /nfs/dbraw/zinc/27/88/32/504278832.db2.gz GFBHQVDKQIXLDH-UHFFFAOYSA-N 1 2 371.412 3.389 20 30 FGEDLO N#Cc1cccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000531390134 504290621 /nfs/dbraw/zinc/29/06/21/504290621.db2.gz YFSONNMWFZXNTL-QGZVFWFLSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1cccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000531390134 504290624 /nfs/dbraw/zinc/29/06/24/504290624.db2.gz YFSONNMWFZXNTL-QGZVFWFLSA-N 1 2 369.415 3.160 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000528794059 504385411 /nfs/dbraw/zinc/38/54/11/504385411.db2.gz OZYMQEFCLNXSAJ-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000528794059 504385413 /nfs/dbraw/zinc/38/54/13/504385413.db2.gz OZYMQEFCLNXSAJ-UHFFFAOYSA-N 1 2 373.378 3.252 20 30 FGEDLO Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545505063 504508979 /nfs/dbraw/zinc/50/89/79/504508979.db2.gz AEQXCYRQOQMODN-UHFFFAOYSA-N 1 2 365.462 3.300 20 30 FGEDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539316075 504527380 /nfs/dbraw/zinc/52/73/80/504527380.db2.gz FBWRJPUJECQEPT-UHFFFAOYSA-N 1 2 359.433 3.300 20 30 FGEDLO N#Cc1cccc(Cc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c1 ZINC000545594610 504536630 /nfs/dbraw/zinc/53/66/30/504536630.db2.gz GBUXOUDQUHLJGV-UHFFFAOYSA-N 1 2 360.417 3.031 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000542581724 504546316 /nfs/dbraw/zinc/54/63/16/504546316.db2.gz STADVAAQLYQGHS-GHMZBOCLSA-N 1 2 373.482 3.258 20 30 FGEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000539461809 504580476 /nfs/dbraw/zinc/58/04/76/504580476.db2.gz ZGALJDSDJGVZQZ-SJORKVTESA-N 1 2 364.559 3.081 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000521319932 504708725 /nfs/dbraw/zinc/70/87/25/504708725.db2.gz UTBFDVWPSPFXEZ-CYBMUJFWSA-N 1 2 367.261 3.217 20 30 FGEDLO CCOC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000529667491 504755816 /nfs/dbraw/zinc/75/58/16/504755816.db2.gz WYMPECCCUIHASZ-QFIPXVFZSA-N 1 2 366.461 3.375 20 30 FGEDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000529667491 504755819 /nfs/dbraw/zinc/75/58/19/504755819.db2.gz WYMPECCCUIHASZ-QFIPXVFZSA-N 1 2 366.461 3.375 20 30 FGEDLO CCOc1ccc(C[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)cc1 ZINC000552904350 504785643 /nfs/dbraw/zinc/78/56/43/504785643.db2.gz WIMJHCFZPBFVIV-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553076315 504821806 /nfs/dbraw/zinc/82/18/06/504821806.db2.gz IGTPHZOTBZHFFE-UHFFFAOYSA-N 1 2 365.433 3.235 20 30 FGEDLO N#Cc1cc(Cl)cc(Br)c1NCC[NH+]1CCSCC1 ZINC000553376327 504898015 /nfs/dbraw/zinc/89/80/15/504898015.db2.gz KYABORXEYCJZSL-UHFFFAOYSA-N 1 2 360.708 3.435 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000549822644 504908672 /nfs/dbraw/zinc/90/86/72/504908672.db2.gz UFZRBBUEUSGSEI-HZPDHXFCSA-N 1 2 364.449 3.123 20 30 FGEDLO N#Cc1cscc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000559710137 504912617 /nfs/dbraw/zinc/91/26/17/504912617.db2.gz ROAUZYPYMDAABL-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1cscc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000559710137 504912619 /nfs/dbraw/zinc/91/26/19/504912619.db2.gz ROAUZYPYMDAABL-ZDUSSCGKSA-N 1 2 361.417 3.292 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCC2)O1 ZINC000565772744 504982722 /nfs/dbraw/zinc/98/27/22/504982722.db2.gz OKJKQWGFEWYVKG-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCC2)O1 ZINC000565772744 504982726 /nfs/dbraw/zinc/98/27/26/504982726.db2.gz OKJKQWGFEWYVKG-HNNXBMFYSA-N 1 2 361.873 3.230 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000563220753 505079443 /nfs/dbraw/zinc/07/94/43/505079443.db2.gz UOMUQNONVPHBLF-OAHLLOKOSA-N 1 2 360.310 3.187 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000566184591 505106722 /nfs/dbraw/zinc/10/67/22/505106722.db2.gz NPIIFXUAKVYZCJ-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000566184591 505106726 /nfs/dbraw/zinc/10/67/26/505106726.db2.gz NPIIFXUAKVYZCJ-GOSISDBHSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566618497 505224080 /nfs/dbraw/zinc/22/40/80/505224080.db2.gz OQRMDIWDMWZGDT-HZPDHXFCSA-N 1 2 359.445 3.104 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566618497 505224083 /nfs/dbraw/zinc/22/40/83/505224083.db2.gz OQRMDIWDMWZGDT-HZPDHXFCSA-N 1 2 359.445 3.104 20 30 FGEDLO N#Cc1ccc2ncc(C[NH2+][C@H](CO)c3c(Cl)cccc3Cl)n2c1 ZINC000551821716 505319404 /nfs/dbraw/zinc/31/94/04/505319404.db2.gz PIZFKSJREJDUIW-OAHLLOKOSA-N 1 2 361.232 3.336 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)ccn1 ZINC000567005900 505336018 /nfs/dbraw/zinc/33/60/18/505336018.db2.gz SMJBRDGVYVJZPA-CQSZACIVSA-N 1 2 359.389 3.143 20 30 FGEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000564234576 505359078 /nfs/dbraw/zinc/35/90/78/505359078.db2.gz GGYXDSINTOWBPQ-UHFFFAOYSA-N 1 2 374.444 3.092 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561900476 505463403 /nfs/dbraw/zinc/46/34/03/505463403.db2.gz JBBZWNXYISOOFJ-GOSISDBHSA-N 1 2 351.454 3.365 20 30 FGEDLO N#Cc1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1F ZINC000552485664 505501142 /nfs/dbraw/zinc/50/11/42/505501142.db2.gz HWPJVPOLUFWRIH-UHFFFAOYSA-N 1 2 357.816 3.139 20 30 FGEDLO N#Cc1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1F ZINC000552485664 505501146 /nfs/dbraw/zinc/50/11/46/505501146.db2.gz HWPJVPOLUFWRIH-UHFFFAOYSA-N 1 2 357.816 3.139 20 30 FGEDLO Cc1nsc(N2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)c1C#N ZINC000567746983 505555768 /nfs/dbraw/zinc/55/57/68/505555768.db2.gz PYNMSSAIKUXVFI-UHFFFAOYSA-N 1 2 353.426 3.337 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[C@H](OC)C1 ZINC000593107165 506396895 /nfs/dbraw/zinc/39/68/95/506396895.db2.gz UFUYMEAKMXZFDU-YTQUADARSA-N 1 2 358.482 3.324 20 30 FGEDLO COc1cccc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000582824845 506439003 /nfs/dbraw/zinc/43/90/03/506439003.db2.gz ZDGMZYVKOVEAOX-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO C[C@]1(C#N)CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000612108311 506439158 /nfs/dbraw/zinc/43/91/58/506439158.db2.gz HEPFERVHNYUCCU-HXUWFJFHSA-N 1 2 355.486 3.297 20 30 FGEDLO CCOc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000612121596 506448728 /nfs/dbraw/zinc/44/87/28/506448728.db2.gz IKRYQIWOPFLFBZ-IBGZPJMESA-N 1 2 354.429 3.002 20 30 FGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161936 506467445 /nfs/dbraw/zinc/46/74/45/506467445.db2.gz HEVQUFGOZKXJJE-VQIMIIECSA-N 1 2 363.408 3.409 20 30 FGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000612161936 506467447 /nfs/dbraw/zinc/46/74/47/506467447.db2.gz HEVQUFGOZKXJJE-VQIMIIECSA-N 1 2 363.408 3.409 20 30 FGEDLO CSc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000596657963 506515253 /nfs/dbraw/zinc/51/52/53/506515253.db2.gz DVHBGDQESQCTSB-UHFFFAOYSA-N 1 2 355.463 3.140 20 30 FGEDLO N#Cc1cccc(OCC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000603839002 506630726 /nfs/dbraw/zinc/63/07/26/506630726.db2.gz CBBYMGSTXHKIIX-UHFFFAOYSA-N 1 2 361.898 3.470 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000603904240 506653662 /nfs/dbraw/zinc/65/36/62/506653662.db2.gz RPDMEHROTSLBBZ-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)no1 ZINC000603904240 506653670 /nfs/dbraw/zinc/65/36/70/506653670.db2.gz RPDMEHROTSLBBZ-MRXNPFEDSA-N 1 2 353.426 3.059 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000603911014 506657184 /nfs/dbraw/zinc/65/71/84/506657184.db2.gz OCFHJJBUPASQJI-INIZCTEOSA-N 1 2 366.465 3.307 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3)CC2)c(C#N)c1C ZINC000603911014 506657190 /nfs/dbraw/zinc/65/71/90/506657190.db2.gz OCFHJJBUPASQJI-INIZCTEOSA-N 1 2 366.465 3.307 20 30 FGEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccsc3C#N)ccc2n1C1CC1 ZINC000593592964 506695473 /nfs/dbraw/zinc/69/54/73/506695473.db2.gz OVJWGBWMXBEDIM-UHFFFAOYSA-N 1 2 372.475 3.091 20 30 FGEDLO Cc1ccn2cc(CNC(=O)CSCc3ccc(C#N)cc3)[nH+]c2c1 ZINC000604199500 506748540 /nfs/dbraw/zinc/74/85/40/506748540.db2.gz WHUQTIKMKXOQML-UHFFFAOYSA-N 1 2 350.447 3.064 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276125 506771368 /nfs/dbraw/zinc/77/13/68/506771368.db2.gz GBSZTPDUSLYUKN-SDDRHHMPSA-N 1 2 373.341 3.057 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604276125 506771373 /nfs/dbraw/zinc/77/13/73/506771373.db2.gz GBSZTPDUSLYUKN-SDDRHHMPSA-N 1 2 373.341 3.057 20 30 FGEDLO CC(C)(C#N)c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000593945141 506839844 /nfs/dbraw/zinc/83/98/44/506839844.db2.gz IIMCVICMNFCACL-UHFFFAOYSA-N 1 2 350.466 3.327 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026181 506892668 /nfs/dbraw/zinc/89/26/68/506892668.db2.gz FGWLLSYJLXKUKV-MRXNPFEDSA-N 1 2 359.495 3.274 20 30 FGEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026181 506892672 /nfs/dbraw/zinc/89/26/72/506892672.db2.gz FGWLLSYJLXKUKV-MRXNPFEDSA-N 1 2 359.495 3.274 20 30 FGEDLO C[C@H]1Cc2ccccc2N1C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671904 506969567 /nfs/dbraw/zinc/96/95/67/506969567.db2.gz ZXXKNCNMLYQVJC-KSFYIVLOSA-N 1 2 374.488 3.000 20 30 FGEDLO Cc1ccn2cc(CNC(=O)NC3(c4ccc(C#N)cc4)CCC3)[nH+]c2c1 ZINC000594216766 507017393 /nfs/dbraw/zinc/01/73/93/507017393.db2.gz MWVZRWGECIYNCH-UHFFFAOYSA-N 1 2 359.433 3.393 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C#N)c3)CC2)s1 ZINC000610013972 507072167 /nfs/dbraw/zinc/07/21/67/507072167.db2.gz HSBRRYVPOWKFGD-UHFFFAOYSA-N 1 2 368.506 3.210 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000594336991 507083362 /nfs/dbraw/zinc/08/33/62/507083362.db2.gz BNQPMAWYMVCNJG-YJBOKZPZSA-N 1 2 353.388 3.439 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000594336991 507083368 /nfs/dbraw/zinc/08/33/68/507083368.db2.gz BNQPMAWYMVCNJG-YJBOKZPZSA-N 1 2 353.388 3.439 20 30 FGEDLO CC[N@@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000594336986 507083401 /nfs/dbraw/zinc/08/34/01/507083401.db2.gz BNQPMAWYMVCNJG-CRAIPNDOSA-N 1 2 353.388 3.439 20 30 FGEDLO CC[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000594336986 507083404 /nfs/dbraw/zinc/08/34/04/507083404.db2.gz BNQPMAWYMVCNJG-CRAIPNDOSA-N 1 2 353.388 3.439 20 30 FGEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000605149642 507092859 /nfs/dbraw/zinc/09/28/59/507092859.db2.gz IXGVFZUTLUXVJQ-UHFFFAOYSA-N 1 2 363.310 3.266 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600780681 507118244 /nfs/dbraw/zinc/11/82/44/507118244.db2.gz UJBQKSHBBRENAC-UHFFFAOYSA-N 1 2 358.445 3.250 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000610355277 507209639 /nfs/dbraw/zinc/20/96/39/507209639.db2.gz MWSOJJXKZGOUJT-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000610357476 507212093 /nfs/dbraw/zinc/21/20/93/507212093.db2.gz NOAPXEHPEHOFNF-KRWDZBQOSA-N 1 2 373.460 3.018 20 30 FGEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)n1 ZINC000601104014 507262071 /nfs/dbraw/zinc/26/20/71/507262071.db2.gz NMPKSYKKMMFCHU-INIZCTEOSA-N 1 2 374.448 3.195 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000610504351 507267309 /nfs/dbraw/zinc/26/73/09/507267309.db2.gz WLNHOGVBKZFGGK-GOSISDBHSA-N 1 2 352.413 3.372 20 30 FGEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)o2)cc1 ZINC000610582718 507303105 /nfs/dbraw/zinc/30/31/05/507303105.db2.gz QZWIECGMIVESSZ-IBGZPJMESA-N 1 2 370.416 3.336 20 30 FGEDLO Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)c(C#N)cc1[N+](=O)[O-] ZINC000601240091 507307907 /nfs/dbraw/zinc/30/79/07/507307907.db2.gz GGUVOBVAGGUKSB-UHFFFAOYSA-N 1 2 369.450 3.335 20 30 FGEDLO COc1ccnc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1F ZINC000594976895 507340206 /nfs/dbraw/zinc/34/02/06/507340206.db2.gz IBNZGORDEFIAMW-UHFFFAOYSA-N 1 2 359.401 3.210 20 30 FGEDLO C[C@H]1C[N@@H+]([C@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820183 507378974 /nfs/dbraw/zinc/37/89/74/507378974.db2.gz GYFCZGGGWDDWGJ-KBXCAEBGSA-N 1 2 368.506 3.377 20 30 FGEDLO C[C@H]1C[N@H+]([C@H](CNc2ncc3c(c2C#N)CCC3)c2cccs2)CCO1 ZINC000591820183 507378980 /nfs/dbraw/zinc/37/89/80/507378980.db2.gz GYFCZGGGWDDWGJ-KBXCAEBGSA-N 1 2 368.506 3.377 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)c1ccccc1 ZINC000601730873 507441274 /nfs/dbraw/zinc/44/12/74/507441274.db2.gz XDVVWIXFHDQBCS-FQEVSTJZSA-N 1 2 363.461 3.124 20 30 FGEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)c1 ZINC000610987003 507469197 /nfs/dbraw/zinc/46/91/97/507469197.db2.gz KGZJJBSFNWWZJY-HNNXBMFYSA-N 1 2 359.389 3.143 20 30 FGEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592060330 507469771 /nfs/dbraw/zinc/46/97/71/507469771.db2.gz JLBWLTFUFNEYFQ-UHFFFAOYSA-N 1 2 353.422 3.014 20 30 FGEDLO CC(C)(C)c1csc([C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589093 507508418 /nfs/dbraw/zinc/50/84/18/507508418.db2.gz CZAUDNRMGVOGIR-ZIAGYGMSSA-N 1 2 351.516 3.115 20 30 FGEDLO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)n1 ZINC000598589093 507508423 /nfs/dbraw/zinc/50/84/23/507508423.db2.gz CZAUDNRMGVOGIR-ZIAGYGMSSA-N 1 2 351.516 3.115 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152028 507509209 /nfs/dbraw/zinc/50/92/09/507509209.db2.gz SRWCCNYUGIIPPU-QLJPJBMISA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152028 507509215 /nfs/dbraw/zinc/50/92/15/507509215.db2.gz SRWCCNYUGIIPPU-QLJPJBMISA-N 1 2 367.236 3.455 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146566 507510690 /nfs/dbraw/zinc/51/06/90/507510690.db2.gz JKWSLAYSURCHRL-IRLDBZIGSA-N 1 2 363.461 3.334 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146566 507510694 /nfs/dbraw/zinc/51/06/94/507510694.db2.gz JKWSLAYSURCHRL-IRLDBZIGSA-N 1 2 363.461 3.334 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571357 507566956 /nfs/dbraw/zinc/56/69/56/507566956.db2.gz ZHGLUOIOSCKUSR-BQFCYCMXSA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571357 507566960 /nfs/dbraw/zinc/56/69/60/507566960.db2.gz ZHGLUOIOSCKUSR-BQFCYCMXSA-N 1 2 364.852 3.169 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000595610169 507588230 /nfs/dbraw/zinc/58/82/30/507588230.db2.gz SKZKVQANPZEDMP-WBVHZDCISA-N 1 2 366.421 3.176 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000595610169 507588237 /nfs/dbraw/zinc/58/82/37/507588237.db2.gz SKZKVQANPZEDMP-WBVHZDCISA-N 1 2 366.421 3.176 20 30 FGEDLO N#C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000602097932 507591050 /nfs/dbraw/zinc/59/10/50/507591050.db2.gz QPAMQWMZNHVDFR-STQMWFEESA-N 1 2 356.735 3.411 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595614919 507591979 /nfs/dbraw/zinc/59/19/79/507591979.db2.gz JPRGHEUBCMAMJV-LLVKDONJSA-N 1 2 354.223 3.152 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595614919 507591987 /nfs/dbraw/zinc/59/19/87/507591987.db2.gz JPRGHEUBCMAMJV-LLVKDONJSA-N 1 2 354.223 3.152 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccsc3C#N)CC2)c1C ZINC000595632232 507604130 /nfs/dbraw/zinc/60/41/30/507604130.db2.gz CGNQSUVKEGMRFK-INIZCTEOSA-N 1 2 368.506 3.386 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595722970 507648628 /nfs/dbraw/zinc/64/86/28/507648628.db2.gz KZYLNBSHTJBUJQ-KRWDZBQOSA-N 1 2 358.511 3.312 20 30 FGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000595753725 507668788 /nfs/dbraw/zinc/66/87/88/507668788.db2.gz SURCIFGOVPGLMQ-GOSISDBHSA-N 1 2 353.397 3.482 20 30 FGEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000595753725 507668797 /nfs/dbraw/zinc/66/87/97/507668797.db2.gz SURCIFGOVPGLMQ-GOSISDBHSA-N 1 2 353.397 3.482 20 30 FGEDLO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000611464835 507693886 /nfs/dbraw/zinc/69/38/86/507693886.db2.gz JYRWLFHCKRNUIH-LBPRGKRZSA-N 1 2 361.232 3.269 20 30 FGEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000611551113 507733489 /nfs/dbraw/zinc/73/34/89/507733489.db2.gz NEJGKSDODXGCRM-IBGZPJMESA-N 1 2 357.404 3.226 20 30 FGEDLO Cc1cccc2[nH+]c(CN3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cn21 ZINC000611550576 507733767 /nfs/dbraw/zinc/73/37/67/507733767.db2.gz HCZQGEUJOULODG-HXUWFJFHSA-N 1 2 363.440 3.164 20 30 FGEDLO Cc1cccc2[nH+]c(CN3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cn21 ZINC000611550575 507734091 /nfs/dbraw/zinc/73/40/91/507734091.db2.gz HCZQGEUJOULODG-FQEVSTJZSA-N 1 2 363.440 3.164 20 30 FGEDLO CC[N@H+](CCC#N)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825419706 608514707 /nfs/dbraw/zinc/51/47/07/608514707.db2.gz SUYLWNSORIQVFK-UHFFFAOYSA-N 1 2 362.437 3.181 20 30 FGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825419706 608514709 /nfs/dbraw/zinc/51/47/09/608514709.db2.gz SUYLWNSORIQVFK-UHFFFAOYSA-N 1 2 362.437 3.181 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380227 608749316 /nfs/dbraw/zinc/74/93/16/608749316.db2.gz RTAOBGXRKIFKPD-HOTGVXAUSA-N 1 2 350.451 3.200 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380227 608749317 /nfs/dbraw/zinc/74/93/17/608749317.db2.gz RTAOBGXRKIFKPD-HOTGVXAUSA-N 1 2 350.451 3.200 20 30 FGEDLO N#Cc1c2c(cnc1NCc1cc[nH+]c(N3CCSCC3)c1)CCC2 ZINC000601240520 673834958 /nfs/dbraw/zinc/83/49/58/673834958.db2.gz KETJXMSLMDRTFK-UHFFFAOYSA-N 1 2 351.479 3.002 20 30 FGEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCC2)nc1-c1cnccn1 ZINC000158616046 705192822 /nfs/dbraw/zinc/19/28/22/705192822.db2.gz HHIORCGTRGITIX-INIZCTEOSA-N 1 2 356.499 3.279 20 30 FGEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCC2)nc1-c1cnccn1 ZINC000158616046 705192825 /nfs/dbraw/zinc/19/28/25/705192825.db2.gz HHIORCGTRGITIX-INIZCTEOSA-N 1 2 356.499 3.279 20 30 FGEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000185889247 712704140 /nfs/dbraw/zinc/70/41/40/712704140.db2.gz XMAATVOQZZWSBK-SMDDNHRTSA-N 1 2 360.259 3.406 20 30 FGEDLO Cc1cc(N)nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)[nH+]1 ZINC000521724243 714144418 /nfs/dbraw/zinc/14/44/18/714144418.db2.gz XXYFPRBDGUPEQW-NSHDSACASA-N 1 2 373.507 3.180 20 30 FGEDLO Cc1sc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000525430474 714353172 /nfs/dbraw/zinc/35/31/72/714353172.db2.gz GRAYPGGEJLRPCR-QGZVFWFLSA-N 1 2 355.463 3.076 20 30 FGEDLO Cc1sc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000525430474 714353178 /nfs/dbraw/zinc/35/31/78/714353178.db2.gz GRAYPGGEJLRPCR-QGZVFWFLSA-N 1 2 355.463 3.076 20 30 FGEDLO C#CCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000780016793 724441197 /nfs/dbraw/zinc/44/11/97/724441197.db2.gz RQMVUIICUCQDOJ-UYAOXDASSA-N 1 2 362.901 3.412 20 30 FGEDLO C#CCCCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000780016793 724441198 /nfs/dbraw/zinc/44/11/98/724441198.db2.gz RQMVUIICUCQDOJ-UYAOXDASSA-N 1 2 362.901 3.412 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC=C(Br)C2)c(-c2ccc(C#N)cc2)n1 ZINC000799328118 724011626 /nfs/dbraw/zinc/01/16/26/724011626.db2.gz MEKCOKFGPANFAH-UHFFFAOYSA-N 1 2 357.255 3.443 20 30 FGEDLO Cn1cc(C[N@H+]2CCC=C(Br)C2)c(-c2ccc(C#N)cc2)n1 ZINC000799328118 724011631 /nfs/dbraw/zinc/01/16/31/724011631.db2.gz MEKCOKFGPANFAH-UHFFFAOYSA-N 1 2 357.255 3.443 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)nc1 ZINC000780557031 724479201 /nfs/dbraw/zinc/47/92/01/724479201.db2.gz RZNNCWQHSRLOSL-UHFFFAOYSA-N 1 2 351.391 3.275 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)nc1 ZINC000780555850 724479296 /nfs/dbraw/zinc/47/92/96/724479296.db2.gz JSVJAINQWFSONF-UHFFFAOYSA-N 1 2 368.238 3.396 20 30 FGEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)nn1 ZINC000653636926 719068610 /nfs/dbraw/zinc/06/86/10/719068610.db2.gz WHIXMEBWOCHLCZ-LBPRGKRZSA-N 1 2 365.275 3.476 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@H](C)COC ZINC000661242657 720214226 /nfs/dbraw/zinc/21/42/26/720214226.db2.gz RUCRNHJTEJNZNQ-GFCCVEGCSA-N 1 2 351.497 3.333 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@H](C)COC ZINC000661242657 720214229 /nfs/dbraw/zinc/21/42/29/720214229.db2.gz RUCRNHJTEJNZNQ-GFCCVEGCSA-N 1 2 351.497 3.333 20 30 FGEDLO C=CCOCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000664379686 720632877 /nfs/dbraw/zinc/63/28/77/720632877.db2.gz MDJHARMCMOEBSX-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CCOCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000664379686 720632880 /nfs/dbraw/zinc/63/28/80/720632880.db2.gz MDJHARMCMOEBSX-AWEZNQCLSA-N 1 2 352.504 3.089 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000729684292 722461582 /nfs/dbraw/zinc/46/15/82/722461582.db2.gz PPFBAHCGACJOHV-UHFFFAOYSA-N 1 2 368.238 3.191 20 30 FGEDLO Clc1ccccc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741810917 722549335 /nfs/dbraw/zinc/54/93/35/722549335.db2.gz MUKVUMXXSFEROU-UHFFFAOYSA-N 1 2 355.829 3.270 20 30 FGEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)c1=S ZINC000794631231 723536788 /nfs/dbraw/zinc/53/67/88/723536788.db2.gz JRDGKNMSWZPNGT-LJQANCHMSA-N 1 2 355.511 3.319 20 30 FGEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)c1=S ZINC000794631231 723536790 /nfs/dbraw/zinc/53/67/90/723536790.db2.gz JRDGKNMSWZPNGT-LJQANCHMSA-N 1 2 355.511 3.319 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2c(Cl)nc3sccn32)s1 ZINC000794699646 723541633 /nfs/dbraw/zinc/54/16/33/723541633.db2.gz FHRLPVPZKBIXIL-ARJAWSKDSA-N 1 2 352.872 3.463 20 30 FGEDLO COCCCO[NH+]=Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000795048655 723558773 /nfs/dbraw/zinc/55/87/73/723558773.db2.gz OMUPNJUMXKJBSQ-UHFFFAOYSA-N 1 2 350.850 3.287 20 30 FGEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000767044719 723605483 /nfs/dbraw/zinc/60/54/83/723605483.db2.gz BGJOYXLUXIOESD-UHFFFAOYSA-N 1 2 352.400 3.399 20 30 FGEDLO C=CCc1ccccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799743798 724091463 /nfs/dbraw/zinc/09/14/63/724091463.db2.gz BMSKCEUVDIEBQN-UHFFFAOYSA-N 1 2 354.431 3.428 20 30 FGEDLO FC(F)(F)Oc1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000777453106 724227997 /nfs/dbraw/zinc/22/79/97/724227997.db2.gz LOKXQIKISSSHKV-UHFFFAOYSA-N 1 2 351.332 3.421 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000805777729 725094709 /nfs/dbraw/zinc/09/47/09/725094709.db2.gz LBDRGIIFYJYKJQ-MRXNPFEDSA-N 1 2 360.820 3.466 20 30 FGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000809620408 725253003 /nfs/dbraw/zinc/25/30/03/725253003.db2.gz HXZCXCPEHJXNBJ-AWEZNQCLSA-N 1 2 359.451 3.159 20 30 FGEDLO C#C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F ZINC000809699681 725260346 /nfs/dbraw/zinc/26/03/46/725260346.db2.gz RWXVABMCACSFBK-KRWDZBQOSA-N 1 2 356.784 3.039 20 30 FGEDLO CC(=[NH+]NC(=S)Nc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000812383854 725395485 /nfs/dbraw/zinc/39/54/85/725395485.db2.gz BTGPBIMGQZFAJT-UHFFFAOYSA-N 1 2 354.479 3.234 20 30 FGEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817440994 727252232 /nfs/dbraw/zinc/25/22/32/727252232.db2.gz BWJAJEHJASZYNR-UHFFFAOYSA-N 1 2 362.207 3.189 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OC2CCCC2)c(Cl)c1 ZINC000819424687 727374307 /nfs/dbraw/zinc/37/43/07/727374307.db2.gz WYUDXOHKAPBTCR-OAHLLOKOSA-N 1 2 351.878 3.280 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OC2CCCC2)c(Cl)c1 ZINC000819424687 727374309 /nfs/dbraw/zinc/37/43/09/727374309.db2.gz WYUDXOHKAPBTCR-OAHLLOKOSA-N 1 2 351.878 3.280 20 30 FGEDLO C#C[C@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000820440072 728995148 /nfs/dbraw/zinc/99/51/48/728995148.db2.gz GAGAPODNGHGDHH-AWEZNQCLSA-N 1 2 362.836 3.299 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1F ZINC000820737699 729023207 /nfs/dbraw/zinc/02/32/07/729023207.db2.gz JHWDPGMNPMPYLJ-PBHICJAKSA-N 1 2 360.820 3.397 20 30 FGEDLO C[C@]1(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1(Cl)Cl ZINC000828127036 729440303 /nfs/dbraw/zinc/44/03/03/729440303.db2.gz YPFZCWXSPKPLJO-OAHLLOKOSA-N 1 2 355.269 3.130 20 30 FGEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000837406483 730026385 /nfs/dbraw/zinc/02/63/85/730026385.db2.gz XHSKKIAVYOIFSH-UHFFFAOYSA-N 1 2 351.277 3.487 20 30 FGEDLO Cn1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1Cl ZINC000844371322 730708337 /nfs/dbraw/zinc/70/83/37/730708337.db2.gz MJIFTIJULLSTPD-CYBMUJFWSA-N 1 2 372.778 3.129 20 30 FGEDLO Cn1nc(C(F)(F)F)c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1Cl ZINC000844371322 730708345 /nfs/dbraw/zinc/70/83/45/730708345.db2.gz MJIFTIJULLSTPD-CYBMUJFWSA-N 1 2 372.778 3.129 20 30 FGEDLO CC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000846954849 730999172 /nfs/dbraw/zinc/99/91/72/730999172.db2.gz XLIRPIRWFSFTCK-UHFFFAOYSA-N 1 2 361.873 3.196 20 30 FGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000847023164 731007939 /nfs/dbraw/zinc/00/79/39/731007939.db2.gz BDVQNOJDCAHZOU-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000847023164 731007943 /nfs/dbraw/zinc/00/79/43/731007943.db2.gz BDVQNOJDCAHZOU-JTQLQIEISA-N 1 2 352.257 3.406 20 30 FGEDLO Fc1cccc(Cl)c1CN1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848418780 731162360 /nfs/dbraw/zinc/16/23/60/731162360.db2.gz UCPVBZJMTCNBLX-UHFFFAOYSA-N 1 2 363.868 3.307 20 30 FGEDLO CC(Cc1ccc(Br)cc1F)=NNCCCn1cc[nH+]c1 ZINC000848418589 731162410 /nfs/dbraw/zinc/16/24/10/731162410.db2.gz QPOSSNGLNIHXJE-UHFFFAOYSA-N 1 2 353.239 3.383 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000854249211 731808740 /nfs/dbraw/zinc/80/87/40/731808740.db2.gz YTYBPFIBPANKAU-MRXNPFEDSA-N 1 2 366.292 3.176 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000880477038 737178920 /nfs/dbraw/zinc/17/89/20/737178920.db2.gz AVTMKKGCNQIUBB-UHFFFAOYSA-N 1 2 357.479 3.027 20 30 FGEDLO C#CCC1(O)CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000880478050 737178959 /nfs/dbraw/zinc/17/89/59/737178959.db2.gz REZAOAFACBAJMX-UHFFFAOYSA-N 1 2 360.454 3.211 20 30 FGEDLO C=CCC1(O)CC[NH+](CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000884479856 737667721 /nfs/dbraw/zinc/66/77/21/737667721.db2.gz UTWSGMVMDFFWPA-UHFFFAOYSA-N 1 2 354.372 3.022 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Br)c1 ZINC000886808022 739304243 /nfs/dbraw/zinc/30/42/43/739304243.db2.gz BLPXEURCLDZIIG-ZDUSSCGKSA-N 1 2 363.177 3.067 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Br)c1 ZINC000886808022 739304248 /nfs/dbraw/zinc/30/42/48/739304248.db2.gz BLPXEURCLDZIIG-ZDUSSCGKSA-N 1 2 363.177 3.067 20 30 FGEDLO N#CCc1ccsc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000890497009 739805887 /nfs/dbraw/zinc/80/58/87/739805887.db2.gz FMDRRUYYFLJSHU-UHFFFAOYSA-N 1 2 360.508 3.049 20 30 FGEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)CSCC2 ZINC000894084801 742236398 /nfs/dbraw/zinc/23/63/98/742236398.db2.gz MELRFQAYDQKDAD-VQIMIIECSA-N 1 2 352.507 3.481 20 30 FGEDLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)CSCC2 ZINC000894084801 742236400 /nfs/dbraw/zinc/23/64/00/742236400.db2.gz MELRFQAYDQKDAD-VQIMIIECSA-N 1 2 352.507 3.481 20 30 FGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000901476292 743287529 /nfs/dbraw/zinc/28/75/29/743287529.db2.gz BYHPKXOTLAFMMM-VMPITWQZSA-N 1 2 368.405 3.399 20 30 FGEDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C#N)ccn1 ZINC000902978925 743795674 /nfs/dbraw/zinc/79/56/74/743795674.db2.gz LVYJDBFWMDCBLC-NHYWBVRUSA-N 1 2 351.328 3.236 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000951699951 762491077 /nfs/dbraw/zinc/49/10/77/762491077.db2.gz RHFDJBRLLGGZPR-HKUYNNGSSA-N 1 2 362.901 3.008 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924759845 759381433 /nfs/dbraw/zinc/38/14/33/759381433.db2.gz ADIXKIYLORTLAK-UHFFFAOYSA-N 1 2 350.513 3.164 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926127623 759658661 /nfs/dbraw/zinc/65/86/61/759658661.db2.gz XEIZWTFPJWEQHL-SECBINFHSA-N 1 2 356.797 3.005 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000933645958 761445206 /nfs/dbraw/zinc/44/52/06/761445206.db2.gz ZMVLPTJTAIJBQC-UHFFFAOYSA-N 1 2 354.219 3.426 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C(C)(C)C1 ZINC000977283270 763352380 /nfs/dbraw/zinc/35/23/80/763352380.db2.gz GBXZGAFVICIZDP-KSZLIROESA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C(C)(C)C1 ZINC000977283270 763352384 /nfs/dbraw/zinc/35/23/84/763352384.db2.gz GBXZGAFVICIZDP-KSZLIROESA-N 1 2 362.901 3.378 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977322954 763354156 /nfs/dbraw/zinc/35/41/56/763354156.db2.gz DCICMMJFNGHAMW-KZNAEPCWSA-N 1 2 362.901 3.138 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977322954 763354161 /nfs/dbraw/zinc/35/41/61/763354161.db2.gz DCICMMJFNGHAMW-KZNAEPCWSA-N 1 2 362.901 3.138 20 30 FGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC001001245151 765275598 /nfs/dbraw/zinc/27/55/98/765275598.db2.gz NHNSGOUHHYQUMB-RBUKOAKNSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC001001245151 765275607 /nfs/dbraw/zinc/27/56/07/765275607.db2.gz NHNSGOUHHYQUMB-RBUKOAKNSA-N 1 2 360.885 3.300 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001015726574 765800240 /nfs/dbraw/zinc/80/02/40/765800240.db2.gz PRNVXRSQNPBWHF-LZWOXQAQSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001015726574 765800248 /nfs/dbraw/zinc/80/02/48/765800248.db2.gz PRNVXRSQNPBWHF-LZWOXQAQSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001015726295 765800447 /nfs/dbraw/zinc/80/04/47/765800447.db2.gz KVTOWMHRRZFGEA-CPUCHLNUSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001015726295 765800455 /nfs/dbraw/zinc/80/04/55/765800455.db2.gz KVTOWMHRRZFGEA-CPUCHLNUSA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670678 766061941 /nfs/dbraw/zinc/06/19/41/766061941.db2.gz SUDHCWHYAOYMGB-RRFJBIMHSA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670678 766061948 /nfs/dbraw/zinc/06/19/48/766061948.db2.gz SUDHCWHYAOYMGB-RRFJBIMHSA-N 1 2 367.287 3.262 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001028855454 766136965 /nfs/dbraw/zinc/13/69/65/766136965.db2.gz DBZWVOSEQGBFRP-ULCGPLCISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001028855454 766136970 /nfs/dbraw/zinc/13/69/70/766136970.db2.gz DBZWVOSEQGBFRP-ULCGPLCISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033961773 766229958 /nfs/dbraw/zinc/22/99/58/766229958.db2.gz NSYMOSOVMATMJV-RBSFLKMASA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033961773 766229960 /nfs/dbraw/zinc/22/99/60/766229960.db2.gz NSYMOSOVMATMJV-RBSFLKMASA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216964 766234291 /nfs/dbraw/zinc/23/42/91/766234291.db2.gz MDMMBHUDRXZQSR-LTIDMASMSA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216964 766234295 /nfs/dbraw/zinc/23/42/95/766234295.db2.gz MDMMBHUDRXZQSR-LTIDMASMSA-N 1 2 367.331 3.468 20 30 FGEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400015 766273877 /nfs/dbraw/zinc/27/38/77/766273877.db2.gz GHKORTGGWOREFZ-HSALFYBXSA-N 1 2 350.487 3.094 20 30 FGEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400015 766273882 /nfs/dbraw/zinc/27/38/82/766273882.db2.gz GHKORTGGWOREFZ-HSALFYBXSA-N 1 2 350.487 3.094 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777768 766810165 /nfs/dbraw/zinc/81/01/65/766810165.db2.gz RWCYZZZLCQZKQK-JJXSEGSLSA-N 1 2 353.304 3.006 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777768 766810179 /nfs/dbraw/zinc/81/01/79/766810179.db2.gz RWCYZZZLCQZKQK-JJXSEGSLSA-N 1 2 353.304 3.006 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)cc1 ZINC000567945611 505581052 /nfs/dbraw/zinc/58/10/52/505581052.db2.gz ZPSCJGBWUXXXRC-RTWAWAEBSA-N 1 2 351.494 3.419 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000576744234 505583847 /nfs/dbraw/zinc/58/38/47/505583847.db2.gz XQBXZNRVCRAVSQ-UHFFFAOYSA-N 1 2 361.405 3.133 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000579921243 505645954 /nfs/dbraw/zinc/64/59/54/505645954.db2.gz XQFRNEMXJSGISN-ZDUSSCGKSA-N 1 2 367.293 3.298 20 30 FGEDLO Cc1nnc([C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2ccccc2)n1C ZINC000069169540 493932202 /nfs/dbraw/zinc/93/22/02/493932202.db2.gz XYORRYMNMCIZLT-OAQYLSRUSA-N 1 2 374.492 3.353 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000083133451 493998876 /nfs/dbraw/zinc/99/88/76/493998876.db2.gz LOGMWZAZCKWBIZ-NHCUHLMSSA-N 1 2 364.445 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000063300242 494042391 /nfs/dbraw/zinc/04/23/91/494042391.db2.gz SDHGJKFDYQMZAB-UHFFFAOYSA-N 1 2 359.473 3.394 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000063300242 494042393 /nfs/dbraw/zinc/04/23/93/494042393.db2.gz SDHGJKFDYQMZAB-UHFFFAOYSA-N 1 2 359.473 3.394 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000008118055 494068677 /nfs/dbraw/zinc/06/86/77/494068677.db2.gz QTHVMLPKQLKRIM-KRWDZBQOSA-N 1 2 350.809 3.465 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000063753560 494084303 /nfs/dbraw/zinc/08/43/03/494084303.db2.gz FWBVSTWVVQUNFR-XLIONFOSSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000063753560 494084306 /nfs/dbraw/zinc/08/43/06/494084306.db2.gz FWBVSTWVVQUNFR-XLIONFOSSA-N 1 2 357.498 3.044 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000009957207 494138451 /nfs/dbraw/zinc/13/84/51/494138451.db2.gz WZIYCFUSDDEMLP-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000009957207 494138454 /nfs/dbraw/zinc/13/84/54/494138454.db2.gz WZIYCFUSDDEMLP-UHFFFAOYSA-N 1 2 355.438 3.365 20 30 FGEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000054537262 494244117 /nfs/dbraw/zinc/24/41/17/494244117.db2.gz ZVJRYMJNYAAYON-UHFFFAOYSA-N 1 2 353.426 3.128 20 30 FGEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nc1 ZINC000042848324 494247817 /nfs/dbraw/zinc/24/78/17/494247817.db2.gz KWZKJDDNYNXHBC-UHFFFAOYSA-N 1 2 362.462 3.281 20 30 FGEDLO CN(c1ccccc1)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000065956638 494260707 /nfs/dbraw/zinc/26/07/07/494260707.db2.gz HOZOAYGLNBMLGG-UHFFFAOYSA-N 1 2 354.479 3.159 20 30 FGEDLO CCC[C@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072896103 494277390 /nfs/dbraw/zinc/27/73/90/494277390.db2.gz HIRVFLORMKUABN-HRAATJIYSA-N 1 2 366.465 3.414 20 30 FGEDLO CCC[C@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072896103 494277393 /nfs/dbraw/zinc/27/73/93/494277393.db2.gz HIRVFLORMKUABN-HRAATJIYSA-N 1 2 366.465 3.414 20 30 FGEDLO CCC[C@@]1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072896104 494277540 /nfs/dbraw/zinc/27/75/40/494277540.db2.gz HIRVFLORMKUABN-KKSFZXQISA-N 1 2 366.465 3.414 20 30 FGEDLO CCC[C@@]1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000072896104 494277542 /nfs/dbraw/zinc/27/75/42/494277542.db2.gz HIRVFLORMKUABN-KKSFZXQISA-N 1 2 366.465 3.414 20 30 FGEDLO Cc1occc1C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000055054647 494295033 /nfs/dbraw/zinc/29/50/33/494295033.db2.gz TXMJPKARMKHPKE-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO Cc1occc1C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000055054647 494295037 /nfs/dbraw/zinc/29/50/37/494295037.db2.gz TXMJPKARMKHPKE-UHFFFAOYSA-N 1 2 364.367 3.207 20 30 FGEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cn1 ZINC000072980864 494297999 /nfs/dbraw/zinc/29/79/99/494297999.db2.gz RHUCFFXEZZUSPH-OAHLLOKOSA-N 1 2 371.510 3.225 20 30 FGEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cn1 ZINC000072980864 494298004 /nfs/dbraw/zinc/29/80/04/494298004.db2.gz RHUCFFXEZZUSPH-OAHLLOKOSA-N 1 2 371.510 3.225 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2scnc2C)cc1 ZINC000066563937 494356618 /nfs/dbraw/zinc/35/66/18/494356618.db2.gz LVRDCKWHRWOFGS-UHFFFAOYSA-N 1 2 372.494 3.229 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2scnc2C)cc1 ZINC000066563937 494356623 /nfs/dbraw/zinc/35/66/23/494356623.db2.gz LVRDCKWHRWOFGS-UHFFFAOYSA-N 1 2 372.494 3.229 20 30 FGEDLO CCCCc1noc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000044584765 494366877 /nfs/dbraw/zinc/36/68/77/494366877.db2.gz MKGPTONKMIIMOP-INIZCTEOSA-N 1 2 353.470 3.163 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577377128 505716829 /nfs/dbraw/zinc/71/68/29/505716829.db2.gz CUBUZJMIYRVPCG-IBGZPJMESA-N 1 2 351.406 3.300 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000577377128 505716832 /nfs/dbraw/zinc/71/68/32/505716832.db2.gz CUBUZJMIYRVPCG-IBGZPJMESA-N 1 2 351.406 3.300 20 30 FGEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000017843145 494418633 /nfs/dbraw/zinc/41/86/33/494418633.db2.gz FIHZSARNVOGGQI-UHFFFAOYSA-N 1 2 353.491 3.449 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066850062 494424572 /nfs/dbraw/zinc/42/45/72/494424572.db2.gz VGJTZIZEVMECMX-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066850062 494424576 /nfs/dbraw/zinc/42/45/76/494424576.db2.gz VGJTZIZEVMECMX-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899439 494435132 /nfs/dbraw/zinc/43/51/32/494435132.db2.gz GDENSFIOVXRRJI-HNNXBMFYSA-N 1 2 369.446 3.167 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899439 494435135 /nfs/dbraw/zinc/43/51/35/494435135.db2.gz GDENSFIOVXRRJI-HNNXBMFYSA-N 1 2 369.446 3.167 20 30 FGEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055996538 494440431 /nfs/dbraw/zinc/44/04/31/494440431.db2.gz ZMAOIQBJQWCZQM-MRXNPFEDSA-N 1 2 360.417 3.152 20 30 FGEDLO N#CCSc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000079405602 494449010 /nfs/dbraw/zinc/44/90/10/494449010.db2.gz GRVSWGVCBPGUOR-UHFFFAOYSA-N 1 2 352.463 3.096 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000019540517 494449337 /nfs/dbraw/zinc/44/93/37/494449337.db2.gz UQQCJTFKNPBJKL-UHFFFAOYSA-N 1 2 360.479 3.070 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000019540517 494449340 /nfs/dbraw/zinc/44/93/40/494449340.db2.gz UQQCJTFKNPBJKL-UHFFFAOYSA-N 1 2 360.479 3.070 20 30 FGEDLO N#CCSc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000079467305 494460125 /nfs/dbraw/zinc/46/01/25/494460125.db2.gz MEQRULVKBHXHJO-UHFFFAOYSA-N 1 2 362.458 3.477 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)COc3ccccc3C#N)n2)CC1 ZINC000022291563 494519300 /nfs/dbraw/zinc/51/93/00/494519300.db2.gz LFJWCJXPQLSWSM-UHFFFAOYSA-N 1 2 370.478 3.264 20 30 FGEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519204 494535550 /nfs/dbraw/zinc/53/55/50/494535550.db2.gz YIEUELQADWGDHE-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519204 494535552 /nfs/dbraw/zinc/53/55/52/494535552.db2.gz YIEUELQADWGDHE-UHFFFAOYSA-N 1 2 371.462 3.094 20 30 FGEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2ccccc12 ZINC000024430262 494629031 /nfs/dbraw/zinc/62/90/31/494629031.db2.gz FPPDEOXJZQIMQL-UHFFFAOYSA-N 1 2 357.461 3.128 20 30 FGEDLO N#CCC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000131719110 494709811 /nfs/dbraw/zinc/70/98/11/494709811.db2.gz JLTRLXKBLWTQNU-SFHVURJKSA-N 1 2 351.454 3.106 20 30 FGEDLO C[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000091964917 494739494 /nfs/dbraw/zinc/73/94/94/494739494.db2.gz LCQAJHQJWTUCMD-INIZCTEOSA-N 1 2 370.456 3.435 20 30 FGEDLO C[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000091964917 494739498 /nfs/dbraw/zinc/73/94/98/494739498.db2.gz LCQAJHQJWTUCMD-INIZCTEOSA-N 1 2 370.456 3.435 20 30 FGEDLO CCC[C@H](C#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000092006048 494750393 /nfs/dbraw/zinc/75/03/93/494750393.db2.gz CPRJTOMPVQFPHP-HZPDHXFCSA-N 1 2 364.287 3.394 20 30 FGEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040394 494766410 /nfs/dbraw/zinc/76/64/10/494766410.db2.gz MINLQTXHTAUEBF-ICSRJNTNSA-N 1 2 355.434 3.006 20 30 FGEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040394 494766417 /nfs/dbraw/zinc/76/64/17/494766417.db2.gz MINLQTXHTAUEBF-ICSRJNTNSA-N 1 2 355.434 3.006 20 30 FGEDLO C=CC[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000027220231 494857547 /nfs/dbraw/zinc/85/75/47/494857547.db2.gz QWOBKSDNUCBZEW-UHFFFAOYSA-N 1 2 366.490 3.238 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000027220231 494857551 /nfs/dbraw/zinc/85/75/51/494857551.db2.gz QWOBKSDNUCBZEW-UHFFFAOYSA-N 1 2 366.490 3.238 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000132438655 494873636 /nfs/dbraw/zinc/87/36/36/494873636.db2.gz BPLWWSAYHLNECY-GOSISDBHSA-N 1 2 350.466 3.466 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2cccnc2)c1 ZINC000132438655 494873641 /nfs/dbraw/zinc/87/36/41/494873641.db2.gz BPLWWSAYHLNECY-GOSISDBHSA-N 1 2 350.466 3.466 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093413463 494888174 /nfs/dbraw/zinc/88/81/74/494888174.db2.gz ZZRMUSJVAYJNPA-IBGZPJMESA-N 1 2 363.509 3.310 20 30 FGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1OCCCC#N ZINC000093536185 494899159 /nfs/dbraw/zinc/89/91/59/494899159.db2.gz GSIYMKBUUJFSEF-KRWDZBQOSA-N 1 2 360.454 3.294 20 30 FGEDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1OCCCC#N ZINC000093536185 494899161 /nfs/dbraw/zinc/89/91/61/494899161.db2.gz GSIYMKBUUJFSEF-KRWDZBQOSA-N 1 2 360.454 3.294 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109759600 494915111 /nfs/dbraw/zinc/91/51/11/494915111.db2.gz DZWYYTHRQPXMFR-CJNGLKHVSA-N 1 2 374.428 3.291 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109759600 494915115 /nfs/dbraw/zinc/91/51/15/494915115.db2.gz DZWYYTHRQPXMFR-CJNGLKHVSA-N 1 2 374.428 3.291 20 30 FGEDLO C=CCCOCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000122670398 495012969 /nfs/dbraw/zinc/01/29/69/495012969.db2.gz GTIIGXADWLEERA-MOPGFXCFSA-N 1 2 354.454 3.004 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCOCC3)CC2)c1C ZINC000133619340 495036182 /nfs/dbraw/zinc/03/61/82/495036182.db2.gz ODYKNYXSUUOLNX-UHFFFAOYSA-N 1 2 360.498 3.134 20 30 FGEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000122939097 495056257 /nfs/dbraw/zinc/05/62/57/495056257.db2.gz YQEVXYSLRRFBLG-CQSZACIVSA-N 1 2 364.367 3.459 20 30 FGEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000122939097 495056261 /nfs/dbraw/zinc/05/62/61/495056261.db2.gz YQEVXYSLRRFBLG-CQSZACIVSA-N 1 2 364.367 3.459 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000128280260 495071860 /nfs/dbraw/zinc/07/18/60/495071860.db2.gz HZGHREWOJFWIGZ-OAHLLOKOSA-N 1 2 361.873 3.136 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000128280260 495071865 /nfs/dbraw/zinc/07/18/65/495071865.db2.gz HZGHREWOJFWIGZ-OAHLLOKOSA-N 1 2 361.873 3.136 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000111450060 495075748 /nfs/dbraw/zinc/07/57/48/495075748.db2.gz QUOXBXCGURHKSJ-UHFFFAOYSA-N 1 2 366.465 3.246 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c(C)c1 ZINC000101554733 495076373 /nfs/dbraw/zinc/07/63/73/495076373.db2.gz SBMCXEKBTPEPKB-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO COc1cccc([C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)c1 ZINC000119185338 495112737 /nfs/dbraw/zinc/11/27/37/495112737.db2.gz CGYNLGNEUDCYLE-NRFANRHFSA-N 1 2 352.434 3.409 20 30 FGEDLO COc1cccc([C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)c1 ZINC000119185338 495112739 /nfs/dbraw/zinc/11/27/39/495112739.db2.gz CGYNLGNEUDCYLE-NRFANRHFSA-N 1 2 352.434 3.409 20 30 FGEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000112637021 495216238 /nfs/dbraw/zinc/21/62/38/495216238.db2.gz VJHOXDMTICIANW-SFHVURJKSA-N 1 2 357.523 3.428 20 30 FGEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000112637021 495216242 /nfs/dbraw/zinc/21/62/42/495216242.db2.gz VJHOXDMTICIANW-SFHVURJKSA-N 1 2 357.523 3.428 20 30 FGEDLO C=CCn1c(SCc2c(C)[nH+]c3ccccn32)nnc1-c1cnccn1 ZINC000124085309 495232223 /nfs/dbraw/zinc/23/22/23/495232223.db2.gz SRTUHWAFNAHPLD-UHFFFAOYSA-N 1 2 363.450 3.170 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124275115 495261256 /nfs/dbraw/zinc/26/12/56/495261256.db2.gz WTGHQBCATSHUDR-OAQYLSRUSA-N 1 2 372.513 3.267 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@](C)(O)C2)c1C#N ZINC000124275115 495261258 /nfs/dbraw/zinc/26/12/58/495261258.db2.gz WTGHQBCATSHUDR-OAQYLSRUSA-N 1 2 372.513 3.267 20 30 FGEDLO N#CC1(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000124461159 495291740 /nfs/dbraw/zinc/29/17/40/495291740.db2.gz BDHLOWXQQIQHDK-UHFFFAOYSA-N 1 2 366.292 3.374 20 30 FGEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000124915872 495363758 /nfs/dbraw/zinc/36/37/58/495363758.db2.gz OIVSFRKPUNDXIT-UHFFFAOYSA-N 1 2 367.449 3.185 20 30 FGEDLO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114815327 495430282 /nfs/dbraw/zinc/43/02/82/495430282.db2.gz WJEIUUAFKCXNEF-KRWDZBQOSA-N 1 2 364.449 3.004 20 30 FGEDLO N#CCCN(C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000141814778 495510798 /nfs/dbraw/zinc/51/07/98/495510798.db2.gz LYTGKXSBJPEMTD-HXUWFJFHSA-N 1 2 367.449 3.207 20 30 FGEDLO N#CCCN(C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000141814778 495510800 /nfs/dbraw/zinc/51/08/00/495510800.db2.gz LYTGKXSBJPEMTD-HXUWFJFHSA-N 1 2 367.449 3.207 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000115561327 495517328 /nfs/dbraw/zinc/51/73/28/495517328.db2.gz OKWMPBDVOFKPIS-GOSISDBHSA-N 1 2 357.523 3.461 20 30 FGEDLO CN(C(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1)C1(C#N)CCCCC1 ZINC000115561327 495517332 /nfs/dbraw/zinc/51/73/32/495517332.db2.gz OKWMPBDVOFKPIS-GOSISDBHSA-N 1 2 357.523 3.461 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000158610499 495550623 /nfs/dbraw/zinc/55/06/23/495550623.db2.gz ZKXXFAOTIGPGEO-HKUYNNGSSA-N 1 2 359.491 3.290 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000158610499 495550629 /nfs/dbraw/zinc/55/06/29/495550629.db2.gz ZKXXFAOTIGPGEO-HKUYNNGSSA-N 1 2 359.491 3.290 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000176246710 495562840 /nfs/dbraw/zinc/56/28/40/495562840.db2.gz AYTRUJPTFWKAFP-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000176246710 495562845 /nfs/dbraw/zinc/56/28/45/495562845.db2.gz AYTRUJPTFWKAFP-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO Cc1c(NC(=O)CC[N@H+](CCC#N)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000176296833 495584852 /nfs/dbraw/zinc/58/48/52/495584852.db2.gz SJIYNVVZWTVDRT-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO Cc1c(NC(=O)CC[N@@H+](CCC#N)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000176296833 495584855 /nfs/dbraw/zinc/58/48/55/495584855.db2.gz SJIYNVVZWTVDRT-UHFFFAOYSA-N 1 2 356.382 3.241 20 30 FGEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)no1 ZINC000182731767 495680568 /nfs/dbraw/zinc/68/05/68/495680568.db2.gz DFPQQQYPGOHMNW-XJKSGUPXSA-N 1 2 367.453 3.085 20 30 FGEDLO N#C[C@]1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC12CCCC2 ZINC000571732631 505800517 /nfs/dbraw/zinc/80/05/17/505800517.db2.gz WGKBBGJJIMCAOP-FQEVSTJZSA-N 1 2 357.885 3.288 20 30 FGEDLO N#C[C@]1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC12CCCC2 ZINC000571732631 505800520 /nfs/dbraw/zinc/80/05/20/505800520.db2.gz WGKBBGJJIMCAOP-FQEVSTJZSA-N 1 2 357.885 3.288 20 30 FGEDLO COc1c(Cl)cc(Cl)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154758903 495719911 /nfs/dbraw/zinc/71/99/11/495719911.db2.gz XSECUHLWDKKZNE-UHFFFAOYSA-N 1 2 372.296 3.050 20 30 FGEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000159668657 495783983 /nfs/dbraw/zinc/78/39/83/495783983.db2.gz SHZKZRMQRAKALA-CQSZACIVSA-N 1 2 372.469 3.347 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000174063228 495807765 /nfs/dbraw/zinc/80/77/65/495807765.db2.gz QOBUQDATJMNSFY-UONOGXRCSA-N 1 2 358.467 3.138 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)nc1 ZINC000179987708 495812589 /nfs/dbraw/zinc/81/25/89/495812589.db2.gz UPKWJHYHHIMJHH-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000180037249 495832691 /nfs/dbraw/zinc/83/26/91/495832691.db2.gz YCFKAJJOEHATQN-OAHLLOKOSA-N 1 2 353.426 3.386 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000171552818 495924368 /nfs/dbraw/zinc/92/43/68/495924368.db2.gz QQFPAPMCVIWFQQ-UHFFFAOYSA-N 1 2 374.444 3.286 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000186287092 495928921 /nfs/dbraw/zinc/92/89/21/495928921.db2.gz GYYKEFIEHAYFMF-INIZCTEOSA-N 1 2 366.440 3.015 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000174577004 496019121 /nfs/dbraw/zinc/01/91/21/496019121.db2.gz KOFRZUDPKAVUIE-HXUWFJFHSA-N 1 2 367.424 3.075 20 30 FGEDLO C=CC[N@H+](Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000171747766 496019552 /nfs/dbraw/zinc/01/95/52/496019552.db2.gz FYCCJSZNDFESJE-HXUWFJFHSA-N 1 2 371.502 3.441 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000171747766 496019559 /nfs/dbraw/zinc/01/95/59/496019559.db2.gz FYCCJSZNDFESJE-HXUWFJFHSA-N 1 2 371.502 3.441 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000180538611 496037143 /nfs/dbraw/zinc/03/71/43/496037143.db2.gz YDYPTIDVYJCWJB-YESZJQIVSA-N 1 2 360.502 3.239 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+](CCC#N)CC3CC3)ccc2c1 ZINC000174693235 496065191 /nfs/dbraw/zinc/06/51/91/496065191.db2.gz IEIFRBDHDGYZTC-UHFFFAOYSA-N 1 2 365.477 3.432 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+](CCC#N)CC3CC3)ccc2c1 ZINC000174693235 496065192 /nfs/dbraw/zinc/06/51/92/496065192.db2.gz IEIFRBDHDGYZTC-UHFFFAOYSA-N 1 2 365.477 3.432 20 30 FGEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174862837 496137911 /nfs/dbraw/zinc/13/79/11/496137911.db2.gz IZZIMUVAIAVZCA-KRWDZBQOSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174862837 496137916 /nfs/dbraw/zinc/13/79/16/496137916.db2.gz IZZIMUVAIAVZCA-KRWDZBQOSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccco1 ZINC000184145769 496257999 /nfs/dbraw/zinc/25/79/99/496257999.db2.gz OYAHZEXPQZAFMB-CRAIPNDOSA-N 1 2 355.438 3.482 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)s1 ZINC000172402578 496284335 /nfs/dbraw/zinc/28/43/35/496284335.db2.gz MHFHHNQPKSTJRH-UHFFFAOYSA-N 1 2 353.491 3.335 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000156764229 496329095 /nfs/dbraw/zinc/32/90/95/496329095.db2.gz OUANZFJMOQQCMK-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000156764229 496329100 /nfs/dbraw/zinc/32/91/00/496329100.db2.gz OUANZFJMOQQCMK-INIZCTEOSA-N 1 2 368.437 3.162 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000184343017 496342520 /nfs/dbraw/zinc/34/25/20/496342520.db2.gz YXEVDPBNFYINAR-QGZVFWFLSA-N 1 2 365.477 3.454 20 30 FGEDLO N#CCCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181400299 496379441 /nfs/dbraw/zinc/37/94/41/496379441.db2.gz JXYOTEWSNUPETA-HOTGVXAUSA-N 1 2 371.378 3.356 20 30 FGEDLO N#CCCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000181400299 496379447 /nfs/dbraw/zinc/37/94/47/496379447.db2.gz JXYOTEWSNUPETA-HOTGVXAUSA-N 1 2 371.378 3.356 20 30 FGEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178534335 496490807 /nfs/dbraw/zinc/49/08/07/496490807.db2.gz VSSBAQDMSFCRAB-OAHLLOKOSA-N 1 2 368.485 3.335 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000157805827 496559117 /nfs/dbraw/zinc/55/91/17/496559117.db2.gz JWDNCEYCLYLXJM-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000157805827 496559125 /nfs/dbraw/zinc/55/91/25/496559125.db2.gz JWDNCEYCLYLXJM-HXUWFJFHSA-N 1 2 356.397 3.158 20 30 FGEDLO C=CCn1c(SCc2cn3c(cccc3C)[nH+]2)nnc1-c1cnccn1 ZINC000157839458 496567927 /nfs/dbraw/zinc/56/79/27/496567927.db2.gz SMIYIGBLZRHSQU-UHFFFAOYSA-N 1 2 363.450 3.170 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000157863880 496572073 /nfs/dbraw/zinc/57/20/73/496572073.db2.gz IVYRFZRMWQCADI-UHFFFAOYSA-N 1 2 367.453 3.242 20 30 FGEDLO CC(C)C(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158183677 496645147 /nfs/dbraw/zinc/64/51/47/496645147.db2.gz QENHHTYXGCTHRL-UHFFFAOYSA-N 1 2 368.399 3.127 20 30 FGEDLO CC(C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158183677 496645150 /nfs/dbraw/zinc/64/51/50/496645150.db2.gz QENHHTYXGCTHRL-UHFFFAOYSA-N 1 2 368.399 3.127 20 30 FGEDLO COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1[nH+]ccn1C ZINC000165303990 496654852 /nfs/dbraw/zinc/65/48/52/496654852.db2.gz WQQZPYUHUMOCPA-SFHVURJKSA-N 1 2 363.377 3.410 20 30 FGEDLO C[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000277397358 496759860 /nfs/dbraw/zinc/75/98/60/496759860.db2.gz GVOHELRDCKDESD-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000277397358 496759865 /nfs/dbraw/zinc/75/98/65/496759865.db2.gz GVOHELRDCKDESD-MRDQGFSESA-N 1 2 368.502 3.480 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000191457732 496770237 /nfs/dbraw/zinc/77/02/37/496770237.db2.gz VVDTWOPPXHQZAE-QGZVFWFLSA-N 1 2 371.462 3.407 20 30 FGEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)n1 ZINC000191457732 496770244 /nfs/dbraw/zinc/77/02/44/496770244.db2.gz VVDTWOPPXHQZAE-QGZVFWFLSA-N 1 2 371.462 3.407 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000569162087 505866359 /nfs/dbraw/zinc/86/63/59/505866359.db2.gz SKTZCRNSGHHYFC-CXAGYDPISA-N 1 2 354.372 3.347 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCCOC2)O1 ZINC000569162087 505866363 /nfs/dbraw/zinc/86/63/63/505866363.db2.gz SKTZCRNSGHHYFC-CXAGYDPISA-N 1 2 354.372 3.347 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000191775011 496885124 /nfs/dbraw/zinc/88/51/24/496885124.db2.gz APHRNVLCSJUTEL-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191778422 496886470 /nfs/dbraw/zinc/88/64/70/496886470.db2.gz NSCJYNLFBJELMY-INIZCTEOSA-N 1 2 364.287 3.154 20 30 FGEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191778422 496886475 /nfs/dbraw/zinc/88/64/75/496886475.db2.gz NSCJYNLFBJELMY-INIZCTEOSA-N 1 2 364.287 3.154 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191932174 496934581 /nfs/dbraw/zinc/93/45/81/496934581.db2.gz DLBLHYCXDMZVMX-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000191932174 496934589 /nfs/dbraw/zinc/93/45/89/496934589.db2.gz DLBLHYCXDMZVMX-UHFFFAOYSA-N 1 2 351.425 3.354 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000269414617 496942044 /nfs/dbraw/zinc/94/20/44/496942044.db2.gz HAZSRHWTNLMVNS-ZBSNKRKSSA-N 1 2 373.478 3.137 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000269414617 496942046 /nfs/dbraw/zinc/94/20/46/496942046.db2.gz HAZSRHWTNLMVNS-ZBSNKRKSSA-N 1 2 373.478 3.137 20 30 FGEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000264658754 496956186 /nfs/dbraw/zinc/95/61/86/496956186.db2.gz IKNICEKPRDGRKA-UHFFFAOYSA-N 1 2 352.438 3.237 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1F ZINC000192039865 496973006 /nfs/dbraw/zinc/97/30/06/496973006.db2.gz BQFXVPKRXQQBMZ-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(CC#N)cc3)CC2)c1 ZINC000270331164 497103343 /nfs/dbraw/zinc/10/33/43/497103343.db2.gz XUMWZHYHTBVSJW-KRWDZBQOSA-N 1 2 363.461 3.280 20 30 FGEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1O ZINC000189918388 497292528 /nfs/dbraw/zinc/29/25/28/497292528.db2.gz KLENEGVGMTXKJZ-UHFFFAOYSA-N 1 2 369.852 3.312 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)[nH]n1 ZINC000271577652 497388585 /nfs/dbraw/zinc/38/85/85/497388585.db2.gz BFIHIEVAJQQGCX-UHFFFAOYSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)n[nH]1 ZINC000271577652 497388588 /nfs/dbraw/zinc/38/85/88/497388588.db2.gz BFIHIEVAJQQGCX-UHFFFAOYSA-N 1 2 357.845 3.061 20 30 FGEDLO C=CCCN(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276131437 497505300 /nfs/dbraw/zinc/50/53/00/497505300.db2.gz IUIJKHSJHNVFJR-UHFFFAOYSA-N 1 2 351.248 3.123 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000279845287 497562313 /nfs/dbraw/zinc/56/23/13/497562313.db2.gz RKCKLMMMGDLKFN-WMZOPIPTSA-N 1 2 358.461 3.091 20 30 FGEDLO CC1(C#N)CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000272510835 497647983 /nfs/dbraw/zinc/64/79/83/497647983.db2.gz GBKKZRHGXONGAX-UHFFFAOYSA-N 1 2 354.479 3.450 20 30 FGEDLO CC1(C#N)CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000272539836 497655283 /nfs/dbraw/zinc/65/52/83/497655283.db2.gz JOPUSHIEUMPQTG-INIZCTEOSA-N 1 2 366.421 3.176 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000578353614 505920979 /nfs/dbraw/zinc/92/09/79/505920979.db2.gz OIBKEBBUTQTADM-PBHICJAKSA-N 1 2 353.422 3.248 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000578353614 505920982 /nfs/dbraw/zinc/92/09/82/505920982.db2.gz OIBKEBBUTQTADM-PBHICJAKSA-N 1 2 353.422 3.248 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1OC ZINC000272562020 497664305 /nfs/dbraw/zinc/66/43/05/497664305.db2.gz CAFVBNWXHUNVFX-KRWDZBQOSA-N 1 2 359.426 3.092 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1OC ZINC000272562020 497664307 /nfs/dbraw/zinc/66/43/07/497664307.db2.gz CAFVBNWXHUNVFX-KRWDZBQOSA-N 1 2 359.426 3.092 20 30 FGEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280283206 497707190 /nfs/dbraw/zinc/70/71/90/497707190.db2.gz WOQOEEVPBOBBRI-QGZVFWFLSA-N 1 2 362.477 3.402 20 30 FGEDLO CC(C)(C)[C@@H](C#N)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000272740551 497717945 /nfs/dbraw/zinc/71/79/45/497717945.db2.gz MBKWXMMNVQOFQU-QGZVFWFLSA-N 1 2 366.465 3.211 20 30 FGEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000246484998 497749745 /nfs/dbraw/zinc/74/97/45/497749745.db2.gz JUPPUPGEJRMGEM-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000246484998 497749750 /nfs/dbraw/zinc/74/97/50/497749750.db2.gz JUPPUPGEJRMGEM-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291977793 497822406 /nfs/dbraw/zinc/82/24/06/497822406.db2.gz WBTJKDLANSVOBL-HOTGVXAUSA-N 1 2 369.494 3.163 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291977793 497822409 /nfs/dbraw/zinc/82/24/09/497822409.db2.gz WBTJKDLANSVOBL-HOTGVXAUSA-N 1 2 369.494 3.163 20 30 FGEDLO COc1ccc2ccccc2c1-c1cc(CO[NH+]=C(N)[C@@H]2CCCO2)on1 ZINC000284589336 497838123 /nfs/dbraw/zinc/83/81/23/497838123.db2.gz XVNUDADAYAADON-SFHVURJKSA-N 1 2 367.405 3.471 20 30 FGEDLO Cc1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)sc1C ZINC000329608253 497843718 /nfs/dbraw/zinc/84/37/18/497843718.db2.gz IPUHNVIYGQMPFU-ZIAGYGMSSA-N 1 2 359.499 3.134 20 30 FGEDLO Cc1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)sc1C ZINC000329608253 497843724 /nfs/dbraw/zinc/84/37/24/497843724.db2.gz IPUHNVIYGQMPFU-ZIAGYGMSSA-N 1 2 359.499 3.134 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2(CCC2)[C@H]1C1CC1)C1CCOCC1 ZINC000329610033 497845060 /nfs/dbraw/zinc/84/50/60/497845060.db2.gz CZEJLIZUNSHMNL-IAGOWNOFSA-N 1 2 358.486 3.066 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1Cc3ccccc3C1)C2 ZINC000329617148 497847469 /nfs/dbraw/zinc/84/74/69/497847469.db2.gz QBAKNUSXSPJEOB-INIZCTEOSA-N 1 2 352.482 3.166 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1Cc3ccccc3C1)C2 ZINC000329617148 497847475 /nfs/dbraw/zinc/84/74/75/497847475.db2.gz QBAKNUSXSPJEOB-INIZCTEOSA-N 1 2 352.482 3.166 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccnc(-n3cccn3)c1)C2 ZINC000329785678 497900665 /nfs/dbraw/zinc/90/06/65/497900665.db2.gz QDISRUJWODBGBD-OAHLLOKOSA-N 1 2 364.453 3.081 20 30 FGEDLO CCn1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cn1 ZINC000364363114 497920809 /nfs/dbraw/zinc/92/08/09/497920809.db2.gz NHWNMAJBBYQQLN-UHFFFAOYSA-N 1 2 371.872 3.279 20 30 FGEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000329875624 497936495 /nfs/dbraw/zinc/93/64/95/497936495.db2.gz GVWKRJSDYBEFFW-SJORKVTESA-N 1 2 374.485 3.495 20 30 FGEDLO Cc1cc(N[C@@H]2CCc3[nH+]c(-c4ccc(F)cc4F)cn3C2)c(C#N)cn1 ZINC000575258652 505951261 /nfs/dbraw/zinc/95/12/61/505951261.db2.gz SBVRCPAHFDGESN-OAHLLOKOSA-N 1 2 365.387 3.252 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000292250630 497940445 /nfs/dbraw/zinc/94/04/45/497940445.db2.gz QVNJIBVFUKDFJU-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccco4)n3)C2)nc1 ZINC000292250630 497940452 /nfs/dbraw/zinc/94/04/52/497940452.db2.gz QVNJIBVFUKDFJU-HNNXBMFYSA-N 1 2 352.419 3.323 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329918308 497952442 /nfs/dbraw/zinc/95/24/42/497952442.db2.gz RCLXXOAFYPHIHV-WMZOPIPTSA-N 1 2 355.486 3.382 20 30 FGEDLO CCN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329919965 497952540 /nfs/dbraw/zinc/95/25/40/497952540.db2.gz GQZXYDIREYYOGC-ZWKOTPCHSA-N 1 2 353.470 3.154 20 30 FGEDLO CCN1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329932184 497957950 /nfs/dbraw/zinc/95/79/50/497957950.db2.gz IOEYLZRSZCCSNS-DLBZAZTESA-N 1 2 355.486 3.382 20 30 FGEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000329954484 497967725 /nfs/dbraw/zinc/96/77/25/497967725.db2.gz OLDSWRRODJPJOG-KBXCAEBGSA-N 1 2 366.531 3.421 20 30 FGEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000329954484 497967731 /nfs/dbraw/zinc/96/77/31/497967731.db2.gz OLDSWRRODJPJOG-KBXCAEBGSA-N 1 2 366.531 3.421 20 30 FGEDLO C[C@]1(c2ccccc2)CCCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329954825 497967924 /nfs/dbraw/zinc/96/79/24/497967924.db2.gz NZAVBLKIVFDCRC-UWJYYQICSA-N 1 2 352.482 3.413 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H]1c1ccccc1 ZINC000329994759 497984210 /nfs/dbraw/zinc/98/42/10/497984210.db2.gz ZOEDQDMUCCFLIA-UONOGXRCSA-N 1 2 359.499 3.029 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H]1c1ccccc1 ZINC000329994759 497984219 /nfs/dbraw/zinc/98/42/19/497984219.db2.gz ZOEDQDMUCCFLIA-UONOGXRCSA-N 1 2 359.499 3.029 20 30 FGEDLO C#CCC1(C(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)CCCCC1 ZINC000364521409 497999336 /nfs/dbraw/zinc/99/93/36/497999336.db2.gz YDMNBMPNSSLIGH-SFHVURJKSA-N 1 2 372.513 3.165 20 30 FGEDLO C#CCC1(C(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)CCCCC1 ZINC000364521409 497999345 /nfs/dbraw/zinc/99/93/45/497999345.db2.gz YDMNBMPNSSLIGH-SFHVURJKSA-N 1 2 372.513 3.165 20 30 FGEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330103919 498023357 /nfs/dbraw/zinc/02/33/57/498023357.db2.gz HEASMZUCHQLIRI-UGKGYDQZSA-N 1 2 374.525 3.381 20 30 FGEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330103919 498023364 /nfs/dbraw/zinc/02/33/64/498023364.db2.gz HEASMZUCHQLIRI-UGKGYDQZSA-N 1 2 374.525 3.381 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)c(F)c1 ZINC000285347137 498058995 /nfs/dbraw/zinc/05/89/95/498058995.db2.gz ALGVYTBYFWQYMS-UHFFFAOYSA-N 1 2 368.368 3.384 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)s1 ZINC000330244524 498075653 /nfs/dbraw/zinc/07/56/53/498075653.db2.gz DFEINCURWJNHBX-CYBMUJFWSA-N 1 2 352.504 3.172 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)s1 ZINC000330244524 498075659 /nfs/dbraw/zinc/07/56/59/498075659.db2.gz DFEINCURWJNHBX-CYBMUJFWSA-N 1 2 352.504 3.172 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1)[NH+]1CCOCC1 ZINC000296571312 498100077 /nfs/dbraw/zinc/10/00/77/498100077.db2.gz TTWYHPMCUAIKBT-BXWFABGCSA-N 1 2 356.470 3.284 20 30 FGEDLO C#Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296570639 498101139 /nfs/dbraw/zinc/10/11/39/498101139.db2.gz DMODOLFQQFGPEV-LJQANCHMSA-N 1 2 362.477 3.290 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCOC[C@@H]3C)n2)C1 ZINC000330315585 498103027 /nfs/dbraw/zinc/10/30/27/498103027.db2.gz YUPOENRAHFNPIG-VNHYZAJKSA-N 1 2 352.504 3.126 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCOC[C@@H]3C)n2)C1 ZINC000330315585 498103034 /nfs/dbraw/zinc/10/30/34/498103034.db2.gz YUPOENRAHFNPIG-VNHYZAJKSA-N 1 2 352.504 3.126 20 30 FGEDLO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cn1 ZINC000330333612 498108095 /nfs/dbraw/zinc/10/80/95/498108095.db2.gz PXKUCCDPWMMSGS-HYVNUMGLSA-N 1 2 357.458 3.020 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1c(F)cncc1F ZINC000285535415 498120670 /nfs/dbraw/zinc/12/06/70/498120670.db2.gz FQFAHSVXZVBQCS-SGJMOYSZSA-N 1 2 364.440 3.330 20 30 FGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000292814344 498156695 /nfs/dbraw/zinc/15/66/95/498156695.db2.gz PDLJPFOMKRXOJY-UHFFFAOYSA-N 1 2 364.287 3.187 20 30 FGEDLO C=CC[N@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC000292814344 498156700 /nfs/dbraw/zinc/15/67/00/498156700.db2.gz PDLJPFOMKRXOJY-UHFFFAOYSA-N 1 2 364.287 3.187 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289551490 498189624 /nfs/dbraw/zinc/18/96/24/498189624.db2.gz NCENQQVAVIJBAI-XKQJLSEDSA-N 1 2 357.454 3.129 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(C#N)c1C ZINC000289551490 498189628 /nfs/dbraw/zinc/18/96/28/498189628.db2.gz NCENQQVAVIJBAI-XKQJLSEDSA-N 1 2 357.454 3.129 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1F ZINC000330805289 498197428 /nfs/dbraw/zinc/19/74/28/498197428.db2.gz HGDUCSOMPWHQJV-UHFFFAOYSA-N 1 2 371.428 3.189 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1F ZINC000330805289 498197431 /nfs/dbraw/zinc/19/74/31/498197431.db2.gz HGDUCSOMPWHQJV-UHFFFAOYSA-N 1 2 371.428 3.189 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281814404 498278850 /nfs/dbraw/zinc/27/88/50/498278850.db2.gz OCPFKXFFVVBFTB-MJGOQNOKSA-N 1 2 372.513 3.090 20 30 FGEDLO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000331236090 498280940 /nfs/dbraw/zinc/28/09/40/498280940.db2.gz MCZRRGVCXQDCDW-UHFFFAOYSA-N 1 2 359.651 3.375 20 30 FGEDLO C[N@@H+]1CC=C(CNC(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000331236090 498280944 /nfs/dbraw/zinc/28/09/44/498280944.db2.gz MCZRRGVCXQDCDW-UHFFFAOYSA-N 1 2 359.651 3.375 20 30 FGEDLO C[N@@H+]1CCN(CCNC(=O)c2ccc(Cl)c(Cl)c2O)CC1(C)C ZINC000331261585 498288079 /nfs/dbraw/zinc/28/80/79/498288079.db2.gz CQVYHHLEFAUFJN-UHFFFAOYSA-N 1 2 360.285 3.030 20 30 FGEDLO C[N@H+]1CCN(CCNC(=O)c2ccc(Cl)c(Cl)c2O)CC1(C)C ZINC000331261585 498288083 /nfs/dbraw/zinc/28/80/83/498288083.db2.gz CQVYHHLEFAUFJN-UHFFFAOYSA-N 1 2 360.285 3.030 20 30 FGEDLO N#Cc1nccnc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000301856317 498295623 /nfs/dbraw/zinc/29/56/23/498295623.db2.gz CENSYSHTKJVVDL-UHFFFAOYSA-N 1 2 362.264 3.020 20 30 FGEDLO N#CC1(CCC[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)CCOCC1 ZINC000281886412 498305099 /nfs/dbraw/zinc/30/50/99/498305099.db2.gz DMJNXCQDGZJXJA-IBGZPJMESA-N 1 2 356.466 3.061 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)CCOCC1 ZINC000281886412 498305107 /nfs/dbraw/zinc/30/51/07/498305107.db2.gz DMJNXCQDGZJXJA-IBGZPJMESA-N 1 2 356.466 3.061 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc(Br)cc1C#N)C2 ZINC000297136042 498328659 /nfs/dbraw/zinc/32/86/59/498328659.db2.gz NIAVDFLQSKUNDI-UHFFFAOYSA-N 1 2 360.259 3.135 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520072 506006583 /nfs/dbraw/zinc/00/65/83/506006583.db2.gz FCEGKZHYGCKPQY-NOLJZWGESA-N 1 2 352.356 3.351 20 30 FGEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520072 506006587 /nfs/dbraw/zinc/00/65/87/506006587.db2.gz FCEGKZHYGCKPQY-NOLJZWGESA-N 1 2 352.356 3.351 20 30 FGEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289964637 498373350 /nfs/dbraw/zinc/37/33/50/498373350.db2.gz BJQPZKBBMTVHTC-UHFFFAOYSA-N 1 2 368.380 3.349 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC000365304577 498396753 /nfs/dbraw/zinc/39/67/53/498396753.db2.gz ANFPYQAJCRQALQ-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC000365304577 498396759 /nfs/dbraw/zinc/39/67/59/498396759.db2.gz ANFPYQAJCRQALQ-UHFFFAOYSA-N 1 2 369.494 3.317 20 30 FGEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000293495653 498400202 /nfs/dbraw/zinc/40/02/02/498400202.db2.gz UAOWDLMBNGJEKJ-HNNXBMFYSA-N 1 2 370.453 3.013 20 30 FGEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000293495653 498400206 /nfs/dbraw/zinc/40/02/06/498400206.db2.gz UAOWDLMBNGJEKJ-HNNXBMFYSA-N 1 2 370.453 3.013 20 30 FGEDLO C=CCOc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000286460074 498404977 /nfs/dbraw/zinc/40/49/77/498404977.db2.gz GEXDMBFKBCAZOW-UHFFFAOYSA-N 1 2 366.465 3.246 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000290068402 498416854 /nfs/dbraw/zinc/41/68/54/498416854.db2.gz BQMDQJQXSBWZJJ-NRFANRHFSA-N 1 2 363.461 3.076 20 30 FGEDLO Cc1nc(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc[nH+]1 ZINC000302150821 498418500 /nfs/dbraw/zinc/41/85/00/498418500.db2.gz KGBPGCOBIPLXRY-UHFFFAOYSA-N 1 2 364.840 3.185 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000302194142 498436737 /nfs/dbraw/zinc/43/67/37/498436737.db2.gz CYSOZMXUBQHVPM-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO N#Cc1cccc([C@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)CCO2)c1 ZINC000362065480 498460496 /nfs/dbraw/zinc/46/04/96/498460496.db2.gz SPDZCNXHSQZIRO-OAQYLSRUSA-N 1 2 358.445 3.377 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000569912548 506045606 /nfs/dbraw/zinc/04/56/06/506045606.db2.gz IAPYWBBOAJMUSR-PKOBYXMFSA-N 1 2 363.465 3.189 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000569912548 506045609 /nfs/dbraw/zinc/04/56/09/506045609.db2.gz IAPYWBBOAJMUSR-PKOBYXMFSA-N 1 2 363.465 3.189 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)cs1 ZINC000365537368 498520513 /nfs/dbraw/zinc/52/05/13/498520513.db2.gz VSVGSWOXZBQLJQ-UHFFFAOYSA-N 1 2 351.479 3.161 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(c3c(C#N)cccc3C#N)CC2)cs1 ZINC000365537368 498520518 /nfs/dbraw/zinc/52/05/18/498520518.db2.gz VSVGSWOXZBQLJQ-UHFFFAOYSA-N 1 2 351.479 3.161 20 30 FGEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@](F)(c4cccc(Cl)c4)C3)cnc12 ZINC000575988991 506049753 /nfs/dbraw/zinc/04/97/53/506049753.db2.gz DJJHSBWBMAKUHD-GOSISDBHSA-N 1 2 355.804 3.325 20 30 FGEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@](F)(c4cccc(Cl)c4)C3)cnc12 ZINC000575988991 506049758 /nfs/dbraw/zinc/04/97/58/506049758.db2.gz DJJHSBWBMAKUHD-GOSISDBHSA-N 1 2 355.804 3.325 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222029 498607697 /nfs/dbraw/zinc/60/76/97/498607697.db2.gz WEGUOIRDOMOWBQ-HZPDHXFCSA-N 1 2 373.501 3.104 20 30 FGEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000332222029 498607704 /nfs/dbraw/zinc/60/77/04/498607704.db2.gz WEGUOIRDOMOWBQ-HZPDHXFCSA-N 1 2 373.501 3.104 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000294410165 498686862 /nfs/dbraw/zinc/68/68/62/498686862.db2.gz AMOQLNUAJHCTOQ-KKSFZXQISA-N 1 2 353.466 3.492 20 30 FGEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C#N ZINC000332451183 498691441 /nfs/dbraw/zinc/69/14/41/498691441.db2.gz MRONICGNDUAEOJ-ZDUSSCGKSA-N 1 2 357.439 3.115 20 30 FGEDLO Cc1cccc(C[N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1C ZINC000298220901 498699423 /nfs/dbraw/zinc/69/94/23/498699423.db2.gz GAXOLLWCLYECHW-GOSISDBHSA-N 1 2 374.444 3.261 20 30 FGEDLO Cc1cccc(C[N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1C ZINC000298220901 498699433 /nfs/dbraw/zinc/69/94/33/498699433.db2.gz GAXOLLWCLYECHW-GOSISDBHSA-N 1 2 374.444 3.261 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000332613927 498742335 /nfs/dbraw/zinc/74/23/35/498742335.db2.gz GJXDLXIODSCVJG-LBPRGKRZSA-N 1 2 358.392 3.075 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)nc12 ZINC000363289546 498746884 /nfs/dbraw/zinc/74/68/84/498746884.db2.gz WAFOYRFWDUDILQ-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)nc12 ZINC000363289546 498746890 /nfs/dbraw/zinc/74/68/90/498746890.db2.gz WAFOYRFWDUDILQ-UXHICEINSA-N 1 2 358.445 3.275 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](c3ccsc3)C1)CCC2 ZINC000328645280 498888262 /nfs/dbraw/zinc/88/82/62/498888262.db2.gz GHVDTQNUCSUAHL-HOCLYGCPSA-N 1 2 360.483 3.118 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000366443672 498929985 /nfs/dbraw/zinc/92/99/85/498929985.db2.gz RFIHQAKNSATYLI-MRXNPFEDSA-N 1 2 363.446 3.125 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000366443672 498929994 /nfs/dbraw/zinc/92/99/94/498929994.db2.gz RFIHQAKNSATYLI-MRXNPFEDSA-N 1 2 363.446 3.125 20 30 FGEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000283581220 498930151 /nfs/dbraw/zinc/93/01/51/498930151.db2.gz KIAUKYVGMBYDRN-HNNXBMFYSA-N 1 2 372.517 3.295 20 30 FGEDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803588 498944829 /nfs/dbraw/zinc/94/48/29/498944829.db2.gz KBIDIOIUCHDZCQ-ZFWWWQNUSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803588 498944835 /nfs/dbraw/zinc/94/48/35/498944835.db2.gz KBIDIOIUCHDZCQ-ZFWWWQNUSA-N 1 2 361.442 3.167 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cnc(OCC3CC3)cn1)C2 ZINC000328835940 498955511 /nfs/dbraw/zinc/95/55/11/498955511.db2.gz MPPPAOHHOCAHBI-AWEZNQCLSA-N 1 2 369.469 3.079 20 30 FGEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000328861206 498964008 /nfs/dbraw/zinc/96/40/08/498964008.db2.gz ZGJVBVCIKOQEKB-HZPDHXFCSA-N 1 2 364.515 3.318 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000328881742 498972432 /nfs/dbraw/zinc/97/24/32/498972432.db2.gz WRTSJRGTLJDLAB-MGPQQGTHSA-N 1 2 358.408 3.492 20 30 FGEDLO C[C@@H]1C[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1=O ZINC000328921157 498985481 /nfs/dbraw/zinc/98/54/81/498985481.db2.gz CCFFAJPTWRKJFV-IAGOWNOFSA-N 1 2 350.503 3.231 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)CC[C@@H]21 ZINC000328937463 498991369 /nfs/dbraw/zinc/99/13/69/498991369.db2.gz CZCCNQOEPZKFHB-MSOLQXFVSA-N 1 2 370.497 3.103 20 30 FGEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3(c4ccccc4)CCC3)CC[C@@H]21 ZINC000328937463 498991373 /nfs/dbraw/zinc/99/13/73/498991373.db2.gz CZCCNQOEPZKFHB-MSOLQXFVSA-N 1 2 370.497 3.103 20 30 FGEDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000328987499 499007817 /nfs/dbraw/zinc/00/78/17/499007817.db2.gz HHHORDGFHULACJ-UHFFFAOYSA-N 1 2 354.410 3.028 20 30 FGEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Br)C2)n1 ZINC000329026386 499018284 /nfs/dbraw/zinc/01/82/84/499018284.db2.gz JUSLRKKKQGBQMK-LLVKDONJSA-N 1 2 365.231 3.218 20 30 FGEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Br)C2)n1 ZINC000329026386 499018287 /nfs/dbraw/zinc/01/82/87/499018287.db2.gz JUSLRKKKQGBQMK-LLVKDONJSA-N 1 2 365.231 3.218 20 30 FGEDLO CC1CCN(c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000295501287 499035861 /nfs/dbraw/zinc/03/58/61/499035861.db2.gz KTFUAMFQGCXRSM-UHFFFAOYSA-N 1 2 352.398 3.105 20 30 FGEDLO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCC(=O)N3)c[nH+]2)C[C@H](C)O1 ZINC000329319630 499097856 /nfs/dbraw/zinc/09/78/56/499097856.db2.gz GEMSZKDVALFXBP-LZWOXQAQSA-N 1 2 360.458 3.051 20 30 FGEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329317211 499097937 /nfs/dbraw/zinc/09/79/37/499097937.db2.gz HTRAHTXDIGMZJR-LAVFITLUSA-N 1 2 360.502 3.455 20 30 FGEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329340132 499103601 /nfs/dbraw/zinc/10/36/01/499103601.db2.gz RJCPMRAEAWZNSZ-ZDUSSCGKSA-N 1 2 352.504 3.237 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329380251 499111935 /nfs/dbraw/zinc/11/19/35/499111935.db2.gz NKUAAXPZEITGNK-MSOLQXFVSA-N 1 2 350.503 3.326 20 30 FGEDLO O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329380251 499111940 /nfs/dbraw/zinc/11/19/40/499111940.db2.gz NKUAAXPZEITGNK-MSOLQXFVSA-N 1 2 350.503 3.326 20 30 FGEDLO C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329396623 499114921 /nfs/dbraw/zinc/11/49/21/499114921.db2.gz XOMSONBFCLUUGZ-AEFFLSMTSA-N 1 2 374.529 3.170 20 30 FGEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCO1 ZINC000329413373 499117883 /nfs/dbraw/zinc/11/78/83/499117883.db2.gz CGLRTXCQZOAADB-HZPDHXFCSA-N 1 2 362.518 3.409 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000329503894 499128398 /nfs/dbraw/zinc/12/83/98/499128398.db2.gz WLTQQKMNOLQOPU-CZUORRHYSA-N 1 2 358.417 3.176 20 30 FGEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367066312 499142542 /nfs/dbraw/zinc/14/25/42/499142542.db2.gz MIXCWIVGYLPGMV-GOSISDBHSA-N 1 2 366.509 3.334 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)NCCCNc3cccc[nH+]3)CC2)cc1 ZINC000367208644 499162016 /nfs/dbraw/zinc/16/20/16/499162016.db2.gz KVAYVBGTRJRNJZ-UHFFFAOYSA-N 1 2 361.449 3.254 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370205337 499197123 /nfs/dbraw/zinc/19/71/23/499197123.db2.gz ZGYGMRDFTNPPOY-DJIMGWMZSA-N 1 2 359.495 3.273 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370205337 499197125 /nfs/dbraw/zinc/19/71/25/499197125.db2.gz ZGYGMRDFTNPPOY-DJIMGWMZSA-N 1 2 359.495 3.273 20 30 FGEDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370309489 499208112 /nfs/dbraw/zinc/20/81/12/499208112.db2.gz SQJFCEGVYOYBFE-QGZVFWFLSA-N 1 2 358.449 3.281 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1)OCC ZINC000371066356 499285536 /nfs/dbraw/zinc/28/55/36/499285536.db2.gz ZWBHCIYCQUBKRS-HKUYNNGSSA-N 1 2 357.454 3.006 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccn3)CC2)c(C#N)c1C ZINC000371324458 499310402 /nfs/dbraw/zinc/31/04/02/499310402.db2.gz XMLGSBZTIYFHPC-CQSZACIVSA-N 1 2 352.438 3.370 20 30 FGEDLO C#CC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000371367789 499315982 /nfs/dbraw/zinc/31/59/82/499315982.db2.gz BLYBBTTXQRUPRT-HKUYNNGSSA-N 1 2 350.466 3.149 20 30 FGEDLO CC(C)n1cc(C[N@@H+]2CCCN(c3snc(Cl)c3C#N)CC2)cn1 ZINC000371613557 499347398 /nfs/dbraw/zinc/34/73/98/499347398.db2.gz JWOZROGOCPJDDN-UHFFFAOYSA-N 1 2 364.906 3.158 20 30 FGEDLO CC(C)n1cc(C[N@H+]2CCCN(c3snc(Cl)c3C#N)CC2)cn1 ZINC000371613557 499347399 /nfs/dbraw/zinc/34/73/99/499347399.db2.gz JWOZROGOCPJDDN-UHFFFAOYSA-N 1 2 364.906 3.158 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369119912 499367564 /nfs/dbraw/zinc/36/75/64/499367564.db2.gz NWYJUCWTSNBNPW-NRFANRHFSA-N 1 2 350.466 3.173 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369119912 499367565 /nfs/dbraw/zinc/36/75/65/499367565.db2.gz NWYJUCWTSNBNPW-NRFANRHFSA-N 1 2 350.466 3.173 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000570336437 506144241 /nfs/dbraw/zinc/14/42/41/506144241.db2.gz ZTCROHDMOHYRAB-UHFFFAOYSA-N 1 2 370.840 3.438 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2)ccn1 ZINC000582152056 506145408 /nfs/dbraw/zinc/14/54/08/506145408.db2.gz CGYIYHSALXDPIZ-OAHLLOKOSA-N 1 2 374.404 3.079 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@]12c1ccccc1NC2=O ZINC000369515021 499411244 /nfs/dbraw/zinc/41/12/44/499411244.db2.gz GJFBXODYKAQTLS-KSFYIVLOSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@]12c1ccccc1NC2=O ZINC000369515021 499411245 /nfs/dbraw/zinc/41/12/45/499411245.db2.gz GJFBXODYKAQTLS-KSFYIVLOSA-N 1 2 354.413 3.080 20 30 FGEDLO Cc1cc(NCc2[nH+]ccn2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000372268625 499415497 /nfs/dbraw/zinc/41/54/97/499415497.db2.gz QXCUQFUMJARBRF-UHFFFAOYSA-N 1 2 368.444 3.331 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)c2)cc1 ZINC000372331015 499421599 /nfs/dbraw/zinc/42/15/99/499421599.db2.gz HNFKPPBPFCFLCW-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)c2)cc1 ZINC000372331015 499421601 /nfs/dbraw/zinc/42/16/01/499421601.db2.gz HNFKPPBPFCFLCW-GOSISDBHSA-N 1 2 372.428 3.148 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369627691 499428437 /nfs/dbraw/zinc/42/84/37/499428437.db2.gz CQUGVDPFLASCJU-GOEBONIOSA-N 1 2 352.394 3.058 20 30 FGEDLO COc1cccc([C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)c2nccn2C)c1 ZINC000369673212 499435076 /nfs/dbraw/zinc/43/50/76/499435076.db2.gz CTXLRYNSKMYMOI-HXUWFJFHSA-N 1 2 362.433 3.188 20 30 FGEDLO Cc1nsc(N2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)CC2)n1 ZINC000372985992 499446125 /nfs/dbraw/zinc/44/61/25/499446125.db2.gz WTNBZHMWOZHSMN-UHFFFAOYSA-N 1 2 365.865 3.223 20 30 FGEDLO Cc1nsc(N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)CC2)n1 ZINC000372985992 499446126 /nfs/dbraw/zinc/44/61/26/499446126.db2.gz WTNBZHMWOZHSMN-UHFFFAOYSA-N 1 2 365.865 3.223 20 30 FGEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000378353547 499505924 /nfs/dbraw/zinc/50/59/24/499505924.db2.gz GDAUARCAPJFVDC-UHFFFAOYSA-N 1 2 355.401 3.068 20 30 FGEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1OC ZINC000378412702 499513892 /nfs/dbraw/zinc/51/38/92/499513892.db2.gz RRJOMOVJNMEQCU-DYLHUKMJSA-N 1 2 353.422 3.360 20 30 FGEDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000378623639 499538650 /nfs/dbraw/zinc/53/86/50/499538650.db2.gz NNPFTHUQMOELGO-INIZCTEOSA-N 1 2 359.433 3.482 20 30 FGEDLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[NH2+]1 ZINC000375899593 499566448 /nfs/dbraw/zinc/56/64/48/499566448.db2.gz CUYLEGPBSAUQBF-KRWDZBQOSA-N 1 2 355.825 3.007 20 30 FGEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(-c4[nH]cc[nH+]4)c3)n2)c1 ZINC000409899650 499628221 /nfs/dbraw/zinc/62/82/21/499628221.db2.gz UGIHNBQFZKMLNN-UHFFFAOYSA-N 1 2 368.400 3.064 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000376698275 499629896 /nfs/dbraw/zinc/62/98/96/499629896.db2.gz CLCZKUVBUMCVOM-INIZCTEOSA-N 1 2 367.428 3.500 20 30 FGEDLO COc1cccc([C@H](NC(=O)NCC(C)(C)CCC#N)c2[nH+]ccn2C)c1 ZINC000376794457 499634484 /nfs/dbraw/zinc/63/44/84/499634484.db2.gz ZEPKZCCDTFRPSB-KRWDZBQOSA-N 1 2 369.469 3.147 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000376916656 499646186 /nfs/dbraw/zinc/64/61/86/499646186.db2.gz QOYPBXBFJRYJNS-DLBZAZTESA-N 1 2 364.440 3.339 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000376916656 499646187 /nfs/dbraw/zinc/64/61/87/499646187.db2.gz QOYPBXBFJRYJNS-DLBZAZTESA-N 1 2 364.440 3.339 20 30 FGEDLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000410319625 499654547 /nfs/dbraw/zinc/65/45/47/499654547.db2.gz ORVSGRGFONZFFA-GOSISDBHSA-N 1 2 355.463 3.046 20 30 FGEDLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000410319625 499654549 /nfs/dbraw/zinc/65/45/49/499654549.db2.gz ORVSGRGFONZFFA-GOSISDBHSA-N 1 2 355.463 3.046 20 30 FGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@]12CCCCO2 ZINC000377119552 499664014 /nfs/dbraw/zinc/66/40/14/499664014.db2.gz JYHDXVCYSCJYKW-RCZSKKKRSA-N 1 2 367.493 3.076 20 30 FGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCC[C@]12CCCCO2 ZINC000377119552 499664015 /nfs/dbraw/zinc/66/40/15/499664015.db2.gz JYHDXVCYSCJYKW-RCZSKKKRSA-N 1 2 367.493 3.076 20 30 FGEDLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cc(F)cc(C#N)c1 ZINC000377130254 499664788 /nfs/dbraw/zinc/66/47/88/499664788.db2.gz CSONICLLJDGPFM-UHFFFAOYSA-N 1 2 362.408 3.477 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000377190811 499669358 /nfs/dbraw/zinc/66/93/58/499669358.db2.gz YMHLQJYWTSDKCG-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000377190811 499669360 /nfs/dbraw/zinc/66/93/60/499669360.db2.gz YMHLQJYWTSDKCG-UHFFFAOYSA-N 1 2 367.400 3.141 20 30 FGEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000411133062 499701369 /nfs/dbraw/zinc/70/13/69/499701369.db2.gz ZJFQDBVSAVITLM-GGAORHGYSA-N 1 2 359.473 3.396 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411194262 499709344 /nfs/dbraw/zinc/70/93/44/499709344.db2.gz PTXODZQNXVZGSV-UHFFFAOYSA-N 1 2 351.450 3.203 20 30 FGEDLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000377912975 499747633 /nfs/dbraw/zinc/74/76/33/499747633.db2.gz MKJAUPZTZKTYRP-CQSZACIVSA-N 1 2 361.453 3.032 20 30 FGEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cn21 ZINC000416682092 500085320 /nfs/dbraw/zinc/08/53/20/500085320.db2.gz JBUNLDVDVJNVRA-LJQANCHMSA-N 1 2 359.433 3.391 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548053 500141403 /nfs/dbraw/zinc/14/14/03/500141403.db2.gz GDMAQYHKESXIJC-MOPGFXCFSA-N 1 2 354.450 3.053 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548053 500141405 /nfs/dbraw/zinc/14/14/05/500141405.db2.gz GDMAQYHKESXIJC-MOPGFXCFSA-N 1 2 354.450 3.053 20 30 FGEDLO CCOc1cccc(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000576527346 506179043 /nfs/dbraw/zinc/17/90/43/506179043.db2.gz XWYNVKGDBOFAEI-CQSZACIVSA-N 1 2 371.872 3.111 20 30 FGEDLO CCOc1cccc(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000576527346 506179047 /nfs/dbraw/zinc/17/90/47/506179047.db2.gz XWYNVKGDBOFAEI-CQSZACIVSA-N 1 2 371.872 3.111 20 30 FGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425627760 500163827 /nfs/dbraw/zinc/16/38/27/500163827.db2.gz PHNXSKPVUVYWHA-MAUKXSAKSA-N 1 2 360.889 3.168 20 30 FGEDLO Cc1ncc(S(=O)(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1C#N ZINC000427212502 500369015 /nfs/dbraw/zinc/36/90/15/500369015.db2.gz LVRMSLIIAQJKNR-UHFFFAOYSA-N 1 2 366.402 3.250 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000432121304 500473324 /nfs/dbraw/zinc/47/33/24/500473324.db2.gz VFYXFUBBFHUIQH-OAHLLOKOSA-N 1 2 351.516 3.023 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)nc2ccccc12 ZINC000428160029 500475655 /nfs/dbraw/zinc/47/56/55/500475655.db2.gz NHSLGILFDUEJHN-UHFFFAOYSA-N 1 2 368.444 3.305 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(F)c3C#N)[C@H](C)C2)cc1 ZINC000428401795 500505661 /nfs/dbraw/zinc/50/56/61/500505661.db2.gz GSXAKGUYFGLPET-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc(F)c3C#N)[C@H](C)C2)cc1 ZINC000428401795 500505665 /nfs/dbraw/zinc/50/56/65/500505665.db2.gz GSXAKGUYFGLPET-OAHLLOKOSA-N 1 2 367.424 3.195 20 30 FGEDLO CC[N@H+](CCOc1ccccc1C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000420971706 500544644 /nfs/dbraw/zinc/54/46/44/500544644.db2.gz IXIQJHKVGMMYNM-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO CC[N@@H+](CCOc1ccccc1C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000420971706 500544645 /nfs/dbraw/zinc/54/46/45/500544645.db2.gz IXIQJHKVGMMYNM-UHFFFAOYSA-N 1 2 372.490 3.041 20 30 FGEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428768649 500554710 /nfs/dbraw/zinc/55/47/10/500554710.db2.gz AXHNCWPFGSKBAT-LJQANCHMSA-N 1 2 365.433 3.208 20 30 FGEDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428768649 500554713 /nfs/dbraw/zinc/55/47/13/500554713.db2.gz AXHNCWPFGSKBAT-LJQANCHMSA-N 1 2 365.433 3.208 20 30 FGEDLO C=CCC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000424812075 500568038 /nfs/dbraw/zinc/56/80/38/500568038.db2.gz YNHYMNKAKCYIKI-UHFFFAOYSA-N 1 2 362.901 3.187 20 30 FGEDLO C=CCC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000424812075 500568040 /nfs/dbraw/zinc/56/80/40/500568040.db2.gz YNHYMNKAKCYIKI-UHFFFAOYSA-N 1 2 362.901 3.187 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)oc1C ZINC000432926935 500592301 /nfs/dbraw/zinc/59/23/01/500592301.db2.gz FDPSQYJTJBRDRM-AWEZNQCLSA-N 1 2 353.422 3.130 20 30 FGEDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874479 500637885 /nfs/dbraw/zinc/63/78/85/500637885.db2.gz NFXDRINMICSFLD-NQIIRXRSSA-N 1 2 357.498 3.440 20 30 FGEDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000442874479 500637888 /nfs/dbraw/zinc/63/78/88/500637888.db2.gz NFXDRINMICSFLD-NQIIRXRSSA-N 1 2 357.498 3.440 20 30 FGEDLO C=CCN(Cc1c[nH+]cn1Cc1ccccc1)S(=O)(=O)c1cccs1 ZINC000437597755 500665860 /nfs/dbraw/zinc/66/58/60/500665860.db2.gz DKZKFUPBJYHCSN-UHFFFAOYSA-N 1 2 373.503 3.370 20 30 FGEDLO COCC[N@H+](Cc1cncs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000447831641 500673122 /nfs/dbraw/zinc/67/31/22/500673122.db2.gz NXMGKZSTGDCZET-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO COCC[N@@H+](Cc1cncs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000447831641 500673127 /nfs/dbraw/zinc/67/31/27/500673127.db2.gz NXMGKZSTGDCZET-UHFFFAOYSA-N 1 2 367.478 3.064 20 30 FGEDLO CCN1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000570674932 506212879 /nfs/dbraw/zinc/21/28/79/506212879.db2.gz PMTQGRGJJIJFJT-MRXNPFEDSA-N 1 2 372.860 3.040 20 30 FGEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437892382 500712908 /nfs/dbraw/zinc/71/29/08/500712908.db2.gz SGODSRAFBRFZAP-IRXDYDNUSA-N 1 2 373.440 3.345 20 30 FGEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437892382 500712910 /nfs/dbraw/zinc/71/29/10/500712910.db2.gz SGODSRAFBRFZAP-IRXDYDNUSA-N 1 2 373.440 3.345 20 30 FGEDLO N#Cc1ccc(-n2ccc(NCc3c[nH+]cn3Cc3ccccc3)n2)c(F)c1 ZINC000438319364 500768550 /nfs/dbraw/zinc/76/85/50/500768550.db2.gz NHELTXQQDKJKSI-UHFFFAOYSA-N 1 2 372.407 3.162 20 30 FGEDLO C=CCOc1ccc(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000448712703 500811731 /nfs/dbraw/zinc/81/17/31/500811731.db2.gz FWVUCBDKGMMZNK-UHFFFAOYSA-N 1 2 365.477 3.496 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000434294113 500822343 /nfs/dbraw/zinc/82/23/43/500822343.db2.gz SEHGXLGLHVELGX-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000434294113 500822346 /nfs/dbraw/zinc/82/23/46/500822346.db2.gz SEHGXLGLHVELGX-GOSISDBHSA-N 1 2 358.825 3.437 20 30 FGEDLO CC(C)CCN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448916588 500868757 /nfs/dbraw/zinc/86/87/57/500868757.db2.gz XEBWXCBCTUSDAQ-UHFFFAOYSA-N 1 2 355.398 3.182 20 30 FGEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444767982 500895610 /nfs/dbraw/zinc/89/56/10/500895610.db2.gz SHZXPAQJNDVCPR-INIZCTEOSA-N 1 2 374.916 3.125 20 30 FGEDLO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444789689 500901109 /nfs/dbraw/zinc/90/11/09/500901109.db2.gz FWUXOWSDPKCHNC-KRWDZBQOSA-N 1 2 364.511 3.095 20 30 FGEDLO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444789689 500901112 /nfs/dbraw/zinc/90/11/12/500901112.db2.gz FWUXOWSDPKCHNC-KRWDZBQOSA-N 1 2 364.511 3.095 20 30 FGEDLO N#Cc1cccc(C2(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000435049878 500927314 /nfs/dbraw/zinc/92/73/14/500927314.db2.gz SXPXRFRELUXCCJ-UHFFFAOYSA-N 1 2 356.429 3.151 20 30 FGEDLO C=CCC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCC1 ZINC000449154479 500936178 /nfs/dbraw/zinc/93/61/78/500936178.db2.gz IKAGVQAXBGHJIJ-UHFFFAOYSA-N 1 2 352.482 3.115 20 30 FGEDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440485465 501014490 /nfs/dbraw/zinc/01/44/90/501014490.db2.gz WMVJZCFCEPBCCC-KRWDZBQOSA-N 1 2 365.481 3.367 20 30 FGEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cn1 ZINC000440485465 501014492 /nfs/dbraw/zinc/01/44/92/501014492.db2.gz WMVJZCFCEPBCCC-KRWDZBQOSA-N 1 2 365.481 3.367 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000435891545 501042091 /nfs/dbraw/zinc/04/20/91/501042091.db2.gz AFWVYKFPYPPEMF-IFXJQAMLSA-N 1 2 360.454 3.270 20 30 FGEDLO Cc1ccc([C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435891544 501042113 /nfs/dbraw/zinc/04/21/13/501042113.db2.gz AFWVYKFPYPPEMF-AUUYWEPGSA-N 1 2 360.454 3.270 20 30 FGEDLO O[C@H]([C@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665254 501054780 /nfs/dbraw/zinc/05/47/80/501054780.db2.gz CHTGPYBIHMGCME-QPUJVOFHSA-N 1 2 361.257 3.469 20 30 FGEDLO O[C@H]([C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1)C(F)(F)F ZINC000449665254 501054781 /nfs/dbraw/zinc/05/47/81/501054781.db2.gz CHTGPYBIHMGCME-QPUJVOFHSA-N 1 2 361.257 3.469 20 30 FGEDLO C=CC[N@H+](Cc1nnc(C2CC2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450387191 501108048 /nfs/dbraw/zinc/10/80/48/501108048.db2.gz GGZXPBOZDJPVCR-ZDUSSCGKSA-N 1 2 367.482 3.140 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(C2CC2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450387191 501108050 /nfs/dbraw/zinc/10/80/50/501108050.db2.gz GGZXPBOZDJPVCR-ZDUSSCGKSA-N 1 2 367.482 3.140 20 30 FGEDLO C=CC[N@@H+](Cc1nnc(C(C)C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450398578 501111063 /nfs/dbraw/zinc/11/10/63/501111063.db2.gz ZSKHBFQHDFAXQP-AWEZNQCLSA-N 1 2 369.498 3.386 20 30 FGEDLO C=CC[N@H+](Cc1nnc(C(C)C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450398578 501111065 /nfs/dbraw/zinc/11/10/65/501111065.db2.gz ZSKHBFQHDFAXQP-AWEZNQCLSA-N 1 2 369.498 3.386 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441429483 501137482 /nfs/dbraw/zinc/13/74/82/501137482.db2.gz PFMNQUOBCPXXRZ-AVRDEDQJSA-N 1 2 374.525 3.347 20 30 FGEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441429483 501137484 /nfs/dbraw/zinc/13/74/84/501137484.db2.gz PFMNQUOBCPXXRZ-AVRDEDQJSA-N 1 2 374.525 3.347 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)c(C)n2)c(C)c1 ZINC000441480840 501145980 /nfs/dbraw/zinc/14/59/80/501145980.db2.gz YYFXGMRIZLGYFA-FQEVSTJZSA-N 1 2 359.433 3.246 20 30 FGEDLO Cc1cc(S(=O)(=O)Nc2cccc(-c3[nH+]ccn3C)c2)ccc1C#N ZINC000446809306 501167144 /nfs/dbraw/zinc/16/71/44/501167144.db2.gz QJQXZMCQJZMPCN-UHFFFAOYSA-N 1 2 352.419 3.068 20 30 FGEDLO N#Cc1cccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000450221022 501213120 /nfs/dbraw/zinc/21/31/20/501213120.db2.gz NNTCDIJNCBWMPE-OAHLLOKOSA-N 1 2 358.423 3.013 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1Cl ZINC000451046088 501241644 /nfs/dbraw/zinc/24/16/44/501241644.db2.gz OLANSNUQMHAYDW-UHFFFAOYSA-N 1 2 362.886 3.307 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1F ZINC000455270554 501259801 /nfs/dbraw/zinc/25/98/01/501259801.db2.gz DLZCRADYKLCLGS-GRDNDAEWSA-N 1 2 355.417 3.030 20 30 FGEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451325927 501265999 /nfs/dbraw/zinc/26/59/99/501265999.db2.gz PCXACZFEGFWUFJ-IBGZPJMESA-N 1 2 371.868 3.252 20 30 FGEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451325927 501266001 /nfs/dbraw/zinc/26/60/01/501266001.db2.gz PCXACZFEGFWUFJ-IBGZPJMESA-N 1 2 371.868 3.252 20 30 FGEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Br)cc1C#N ZINC000451398779 501283064 /nfs/dbraw/zinc/28/30/64/501283064.db2.gz FJKPJHNXJSZDFY-UHFFFAOYSA-N 1 2 373.254 3.126 20 30 FGEDLO CC#CCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457676251 501284117 /nfs/dbraw/zinc/28/41/17/501284117.db2.gz RVURSXZAQVKHLU-INIZCTEOSA-N 1 2 351.853 3.281 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)cc(F)c3F)CC2)cc1 ZINC000455590732 501340967 /nfs/dbraw/zinc/34/09/67/501340967.db2.gz VWIGVGFCXCDZHU-UHFFFAOYSA-N 1 2 374.366 3.325 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455781393 501384603 /nfs/dbraw/zinc/38/46/03/501384603.db2.gz XMIHXFYHVANGJT-UHFFFAOYSA-N 1 2 354.410 3.461 20 30 FGEDLO CC(C)(C)Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1C#N ZINC000455802833 501389401 /nfs/dbraw/zinc/38/94/01/501389401.db2.gz UQOOVQCVGHMNRZ-UHFFFAOYSA-N 1 2 353.426 3.364 20 30 FGEDLO CCO[C@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@H](OCC)C3)c2C#N)C1 ZINC000596087588 506250388 /nfs/dbraw/zinc/25/03/88/506250388.db2.gz IFSIWFFRQWJNAH-ROUUACIJSA-N 1 2 372.513 3.272 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451890940 501394086 /nfs/dbraw/zinc/39/40/86/501394086.db2.gz NUHDZOBHIUDEMQ-ZWNOBZJWSA-N 1 2 363.177 3.066 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451890940 501394089 /nfs/dbraw/zinc/39/40/89/501394089.db2.gz NUHDZOBHIUDEMQ-ZWNOBZJWSA-N 1 2 363.177 3.066 20 30 FGEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000453838478 501412029 /nfs/dbraw/zinc/41/20/29/501412029.db2.gz WABUJKRZYIMXAV-KRWDZBQOSA-N 1 2 366.465 3.087 20 30 FGEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000453881229 501421631 /nfs/dbraw/zinc/42/16/31/501421631.db2.gz OIMCSZBUEYLVJJ-UHFFFAOYSA-N 1 2 354.454 3.030 20 30 FGEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452036050 501422341 /nfs/dbraw/zinc/42/23/41/501422341.db2.gz IKFJQKHDOARCHM-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452036050 501422342 /nfs/dbraw/zinc/42/23/42/501422342.db2.gz IKFJQKHDOARCHM-AWEZNQCLSA-N 1 2 361.511 3.328 20 30 FGEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000611682904 506255477 /nfs/dbraw/zinc/25/54/77/506255477.db2.gz SRRPFBBFHOFGEC-MRXNPFEDSA-N 1 2 361.239 3.153 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(OC)c1 ZINC000452451082 501503698 /nfs/dbraw/zinc/50/36/98/501503698.db2.gz JUQAEHJPOMVJDS-IBGZPJMESA-N 1 2 369.465 3.146 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000456377945 501512697 /nfs/dbraw/zinc/51/26/97/501512697.db2.gz IIWVLAOPMRAZMF-CQSZACIVSA-N 1 2 364.405 3.438 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456401706 501518048 /nfs/dbraw/zinc/51/80/48/501518048.db2.gz VZKGDTNIXQIGJL-GUYCJALGSA-N 1 2 362.389 3.363 20 30 FGEDLO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000598978933 506258102 /nfs/dbraw/zinc/25/81/02/506258102.db2.gz YKNXTIYPAOOKLW-FCHUYYIVSA-N 1 2 359.473 3.315 20 30 FGEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)CC#N)C[C@@H](C)O1 ZINC000459260440 501620994 /nfs/dbraw/zinc/62/09/94/501620994.db2.gz QGSPAFOKKRIHBI-HZPDHXFCSA-N 1 2 358.486 3.357 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454763650 501624361 /nfs/dbraw/zinc/62/43/61/501624361.db2.gz PEOFZXKVZHSMHU-HRCADAONSA-N 1 2 374.510 3.066 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454763650 501624364 /nfs/dbraw/zinc/62/43/64/501624364.db2.gz PEOFZXKVZHSMHU-HRCADAONSA-N 1 2 374.510 3.066 20 30 FGEDLO CCCCCC(=O)NC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459321749 501630520 /nfs/dbraw/zinc/63/05/20/501630520.db2.gz HHIIWHWRANQMFP-UHFFFAOYSA-N 1 2 358.442 3.127 20 30 FGEDLO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352518 501637522 /nfs/dbraw/zinc/63/75/22/501637522.db2.gz YBIICDOXROSNPP-FQEVSTJZSA-N 1 2 353.422 3.486 20 30 FGEDLO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352518 501637523 /nfs/dbraw/zinc/63/75/23/501637523.db2.gz YBIICDOXROSNPP-FQEVSTJZSA-N 1 2 353.422 3.486 20 30 FGEDLO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C#N)sc2C)cc1 ZINC000459458699 501657399 /nfs/dbraw/zinc/65/73/99/501657399.db2.gz FTAQMPOAHUUCJV-HOCLYGCPSA-N 1 2 370.478 3.348 20 30 FGEDLO CSc1nc(C2CC2)cc(C(=O)Nc2nc(C[NH+](C)C)cs2)c1C#N ZINC000457287290 501676809 /nfs/dbraw/zinc/67/68/09/501676809.db2.gz ISYFDVQLNIZNJQ-UHFFFAOYSA-N 1 2 373.507 3.323 20 30 FGEDLO CC1(C)Cc2ccsc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459577871 501680117 /nfs/dbraw/zinc/68/01/17/501680117.db2.gz HXDMUVMRFSDNJB-UHFFFAOYSA-N 1 2 360.504 3.230 20 30 FGEDLO CC1(C)Cc2ccsc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459577871 501680118 /nfs/dbraw/zinc/68/01/18/501680118.db2.gz HXDMUVMRFSDNJB-UHFFFAOYSA-N 1 2 360.504 3.230 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000485255587 501771209 /nfs/dbraw/zinc/77/12/09/501771209.db2.gz UTTPRCZYQPVIIU-QWFCFKBJSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000485255587 501771213 /nfs/dbraw/zinc/77/12/13/501771213.db2.gz UTTPRCZYQPVIIU-QWFCFKBJSA-N 1 2 373.541 3.047 20 30 FGEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000485257526 501772181 /nfs/dbraw/zinc/77/21/81/501772181.db2.gz QWJKJRMRICWUAV-UHFFFAOYSA-N 1 2 370.416 3.447 20 30 FGEDLO C=C(C)C[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccccc1 ZINC000470905322 501848940 /nfs/dbraw/zinc/84/89/40/501848940.db2.gz FSIARKBDSPGECR-UHFFFAOYSA-N 1 2 373.460 3.160 20 30 FGEDLO C=C(C)C[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccccc1 ZINC000470905322 501848944 /nfs/dbraw/zinc/84/89/44/501848944.db2.gz FSIARKBDSPGECR-UHFFFAOYSA-N 1 2 373.460 3.160 20 30 FGEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1c[nH+]cn1C ZINC000481747989 501873147 /nfs/dbraw/zinc/87/31/47/501873147.db2.gz JJBODJZGEZYJQZ-UHFFFAOYSA-N 1 2 359.430 3.208 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCc1noc(COc2ccccc2C#N)n1 ZINC000460825954 501930541 /nfs/dbraw/zinc/93/05/41/501930541.db2.gz AEMFYLCXNFFZPG-UHFFFAOYSA-N 1 2 359.389 3.421 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C#N)ccc3C)CC2)cs1 ZINC000596155031 506283645 /nfs/dbraw/zinc/28/36/45/506283645.db2.gz PZKGRDJFYQMQDC-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc(C#N)ccc3C)CC2)cs1 ZINC000596155031 506283648 /nfs/dbraw/zinc/28/36/48/506283648.db2.gz PZKGRDJFYQMQDC-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485867935 501968115 /nfs/dbraw/zinc/96/81/15/501968115.db2.gz ISXCMDWHBHTYNC-GOSISDBHSA-N 1 2 369.383 3.064 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000485867935 501968117 /nfs/dbraw/zinc/96/81/17/501968117.db2.gz ISXCMDWHBHTYNC-GOSISDBHSA-N 1 2 369.383 3.064 20 30 FGEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000478415613 501974751 /nfs/dbraw/zinc/97/47/51/501974751.db2.gz IAOSNWQYWWFNIQ-KRWDZBQOSA-N 1 2 372.490 3.042 20 30 FGEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000478415613 501974757 /nfs/dbraw/zinc/97/47/57/501974757.db2.gz IAOSNWQYWWFNIQ-KRWDZBQOSA-N 1 2 372.490 3.042 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000478450181 501985836 /nfs/dbraw/zinc/98/58/36/501985836.db2.gz BBROURVZWLOHKR-INIZCTEOSA-N 1 2 362.861 3.007 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464586739 502037977 /nfs/dbraw/zinc/03/79/77/502037977.db2.gz KXGZSGACBWZJIF-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000464586739 502037983 /nfs/dbraw/zinc/03/79/83/502037983.db2.gz KXGZSGACBWZJIF-MRXNPFEDSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N3CC(C)(C#N)C3)[nH+]c12 ZINC000482582463 502116883 /nfs/dbraw/zinc/11/68/83/502116883.db2.gz MNUCQUJAIRQTJJ-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N3CC(C)(C#N)C3)cn2c1 ZINC000482619391 502128883 /nfs/dbraw/zinc/12/88/83/502128883.db2.gz VFRHZYYYZBEIFF-UHFFFAOYSA-N 1 2 360.417 3.207 20 30 FGEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1CC ZINC000486437867 502153496 /nfs/dbraw/zinc/15/34/96/502153496.db2.gz UCODPJVAEAXIHE-UHFFFAOYSA-N 1 2 351.450 3.234 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475595837 502223128 /nfs/dbraw/zinc/22/31/28/502223128.db2.gz MSFMPXOLANGFNJ-OAHLLOKOSA-N 1 2 364.371 3.491 20 30 FGEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000472127947 502241321 /nfs/dbraw/zinc/24/13/21/502241321.db2.gz KQHFWCKRAYFCRU-IBGZPJMESA-N 1 2 350.466 3.448 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000475733263 502269602 /nfs/dbraw/zinc/26/96/02/502269602.db2.gz SUFMJZXTLYYWHU-QGZVFWFLSA-N 1 2 365.477 3.454 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483096711 502270355 /nfs/dbraw/zinc/27/03/55/502270355.db2.gz JXJOZOLOLOCSGX-OAHLLOKOSA-N 1 2 366.339 3.289 20 30 FGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483425031 502387325 /nfs/dbraw/zinc/38/73/25/502387325.db2.gz GONVCDWRENQDHT-CRAIPNDOSA-N 1 2 369.383 3.207 20 30 FGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483425031 502387331 /nfs/dbraw/zinc/38/73/31/502387331.db2.gz GONVCDWRENQDHT-CRAIPNDOSA-N 1 2 369.383 3.207 20 30 FGEDLO N#Cc1ccccc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000483506775 502414671 /nfs/dbraw/zinc/41/46/71/502414671.db2.gz PDRGTVBAMLJXLJ-UHFFFAOYSA-N 1 2 351.269 3.377 20 30 FGEDLO N#Cc1ccccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000483506775 502414675 /nfs/dbraw/zinc/41/46/75/502414675.db2.gz PDRGTVBAMLJXLJ-UHFFFAOYSA-N 1 2 351.269 3.377 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000466086977 502474634 /nfs/dbraw/zinc/47/46/34/502474634.db2.gz QEDCGFRMMJYHID-RTWAWAEBSA-N 1 2 366.509 3.354 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469699187 502506303 /nfs/dbraw/zinc/50/63/03/502506303.db2.gz SCEFHPAEAPNCKH-BNEJOLLZSA-N 1 2 366.864 3.322 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469699187 502506308 /nfs/dbraw/zinc/50/63/08/502506308.db2.gz SCEFHPAEAPNCKH-BNEJOLLZSA-N 1 2 366.864 3.322 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)N(C)Cc3ccccc3)CC2)ccc1C#N ZINC000488189544 502651468 /nfs/dbraw/zinc/65/14/68/502651468.db2.gz YHHIYMIVLNWFAN-UHFFFAOYSA-N 1 2 362.477 3.236 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488229445 502664014 /nfs/dbraw/zinc/66/40/14/502664014.db2.gz JGAGWIVIEBSOFU-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488229445 502664032 /nfs/dbraw/zinc/66/40/32/502664032.db2.gz JGAGWIVIEBSOFU-UHFFFAOYSA-N 1 2 363.230 3.454 20 30 FGEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463045050 502673080 /nfs/dbraw/zinc/67/30/80/502673080.db2.gz UIQHHJXRDLJTLF-HOTGVXAUSA-N 1 2 369.490 3.292 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000484679610 502705542 /nfs/dbraw/zinc/70/55/42/502705542.db2.gz NLDCEQHJOLXZQB-AWEZNQCLSA-N 1 2 361.511 3.350 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000484679610 502705550 /nfs/dbraw/zinc/70/55/50/502705550.db2.gz NLDCEQHJOLXZQB-AWEZNQCLSA-N 1 2 361.511 3.350 20 30 FGEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000488431475 502712853 /nfs/dbraw/zinc/71/28/53/502712853.db2.gz OVCBKRNVIJERAT-UHFFFAOYSA-N 1 2 363.377 3.004 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000602869762 506331886 /nfs/dbraw/zinc/33/18/86/506331886.db2.gz ONPUPDAZXSHQJQ-HNNXBMFYSA-N 1 2 368.506 3.447 20 30 FGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369775 502752361 /nfs/dbraw/zinc/75/23/61/502752361.db2.gz QDUKDMQDFWKPRQ-HOTGVXAUSA-N 1 2 363.889 3.394 20 30 FGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470369775 502752366 /nfs/dbraw/zinc/75/23/66/502752366.db2.gz QDUKDMQDFWKPRQ-HOTGVXAUSA-N 1 2 363.889 3.394 20 30 FGEDLO C=CCCCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000474085163 502803253 /nfs/dbraw/zinc/80/32/53/502803253.db2.gz VBIXODKJKSWPFR-LJQANCHMSA-N 1 2 359.514 3.275 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500577071 502818085 /nfs/dbraw/zinc/81/80/85/502818085.db2.gz WARHCMHUEKHPOX-LSDHHAIUSA-N 1 2 352.841 3.073 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500577071 502818088 /nfs/dbraw/zinc/81/80/88/502818088.db2.gz WARHCMHUEKHPOX-LSDHHAIUSA-N 1 2 352.841 3.073 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)[nH+]cn2)CC1 ZINC000596278632 506338533 /nfs/dbraw/zinc/33/85/33/506338533.db2.gz PYGSLPFGZOMMPG-SFHVURJKSA-N 1 2 363.465 3.189 20 30 FGEDLO CC1(O)CCN(c2cc(N[C@H]3CCCc4cc(C#N)ccc43)nc[nH+]2)CC1 ZINC000596278632 506338538 /nfs/dbraw/zinc/33/85/38/506338538.db2.gz PYGSLPFGZOMMPG-SFHVURJKSA-N 1 2 363.465 3.189 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489158070 502890229 /nfs/dbraw/zinc/89/02/29/502890229.db2.gz GVXQLPGWKUICNP-LJQANCHMSA-N 1 2 357.425 3.189 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489158070 502890233 /nfs/dbraw/zinc/89/02/33/502890233.db2.gz GVXQLPGWKUICNP-LJQANCHMSA-N 1 2 357.425 3.189 20 30 FGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000602896505 506342096 /nfs/dbraw/zinc/34/20/96/506342096.db2.gz SDYUHUNJNGXQCF-UHFFFAOYSA-N 1 2 358.449 3.215 20 30 FGEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513417534 502932749 /nfs/dbraw/zinc/93/27/49/502932749.db2.gz WNQWSNPRSHFHFE-NRFANRHFSA-N 1 2 363.461 3.094 20 30 FGEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513417534 502932754 /nfs/dbraw/zinc/93/27/54/502932754.db2.gz WNQWSNPRSHFHFE-NRFANRHFSA-N 1 2 363.461 3.094 20 30 FGEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501208747 502959012 /nfs/dbraw/zinc/95/90/12/502959012.db2.gz YRVQXTCTUUKYDI-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501208747 502959016 /nfs/dbraw/zinc/95/90/16/502959016.db2.gz YRVQXTCTUUKYDI-UHFFFAOYSA-N 1 2 352.434 3.175 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505884182 503005026 /nfs/dbraw/zinc/00/50/26/503005026.db2.gz GKTVEOYTFUWWBB-FXAWDEMLSA-N 1 2 350.418 3.173 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505884182 503005030 /nfs/dbraw/zinc/00/50/30/503005030.db2.gz GKTVEOYTFUWWBB-FXAWDEMLSA-N 1 2 350.418 3.173 20 30 FGEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cccc(C#N)c4)C3)nn2)cc1 ZINC000501762713 503074205 /nfs/dbraw/zinc/07/42/05/503074205.db2.gz BLSSNJINSRSPQS-UHFFFAOYSA-N 1 2 359.433 3.272 20 30 FGEDLO CCOc1ccc(-c2cn(C3C[NH+](Cc4cc(C#N)cs4)C3)nn2)cc1 ZINC000501763463 503075034 /nfs/dbraw/zinc/07/50/34/503075034.db2.gz OOQNBEJFRKJTTE-UHFFFAOYSA-N 1 2 365.462 3.334 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510439069 503115798 /nfs/dbraw/zinc/11/57/98/503115798.db2.gz XSBUTOCDDCYMFT-UHFFFAOYSA-N 1 2 362.408 3.450 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510439069 503115802 /nfs/dbraw/zinc/11/58/02/503115802.db2.gz XSBUTOCDDCYMFT-UHFFFAOYSA-N 1 2 362.408 3.450 20 30 FGEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000593040884 506354679 /nfs/dbraw/zinc/35/46/79/506354679.db2.gz NUHOWQGTFQUZBB-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000593040884 506354685 /nfs/dbraw/zinc/35/46/85/506354685.db2.gz NUHOWQGTFQUZBB-FQEVSTJZSA-N 1 2 372.465 3.135 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000514600878 503146468 /nfs/dbraw/zinc/14/64/68/503146468.db2.gz UPNXXENUZSVGCK-TZMCWYRMSA-N 1 2 362.393 3.298 20 30 FGEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510900690 503213814 /nfs/dbraw/zinc/21/38/14/503213814.db2.gz FKKCAKLGEDJJJJ-UHFFFAOYSA-N 1 2 358.244 3.279 20 30 FGEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000510963346 503225763 /nfs/dbraw/zinc/22/57/63/503225763.db2.gz AZFRJZJOYPFUMP-AWEZNQCLSA-N 1 2 371.334 3.018 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510966388 503226988 /nfs/dbraw/zinc/22/69/88/503226988.db2.gz HRSJHVKIVLGRTC-KRWDZBQOSA-N 1 2 356.445 3.266 20 30 FGEDLO CCN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000507203387 503249588 /nfs/dbraw/zinc/24/95/88/503249588.db2.gz ITDKNCKDYYKUGB-UHFFFAOYSA-N 1 2 372.488 3.001 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000507290071 503270446 /nfs/dbraw/zinc/27/04/46/503270446.db2.gz CSQYSJDULCBZJW-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1OC ZINC000511496885 503332088 /nfs/dbraw/zinc/33/20/88/503332088.db2.gz WVOHRUMVOSIWFH-UHFFFAOYSA-N 1 2 373.522 3.424 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)cc1 ZINC000593058511 506365230 /nfs/dbraw/zinc/36/52/30/506365230.db2.gz NHXCEGCCPWSNNJ-IEBWSBKVSA-N 1 2 373.497 3.221 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](CC)OC[C@H]2CC)cc1 ZINC000593058511 506365235 /nfs/dbraw/zinc/36/52/35/506365235.db2.gz NHXCEGCCPWSNNJ-IEBWSBKVSA-N 1 2 373.497 3.221 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000507674803 503344494 /nfs/dbraw/zinc/34/44/94/503344494.db2.gz VFIVQGABXXVUIS-MOPGFXCFSA-N 1 2 373.541 3.187 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000507774012 503363512 /nfs/dbraw/zinc/36/35/12/503363512.db2.gz VWPKIXNXYSZQDT-UHFFFAOYSA-N 1 2 370.840 3.089 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000503252348 503377835 /nfs/dbraw/zinc/37/78/35/503377835.db2.gz QCORCDUAKHOSAL-NRFANRHFSA-N 1 2 374.444 3.207 20 30 FGEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000492723562 503382499 /nfs/dbraw/zinc/38/24/99/503382499.db2.gz QKLOXLSQPWDPFC-UHFFFAOYSA-N 1 2 363.177 3.210 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](Cc2csc(Br)c2)C2CC2)C1=O ZINC000499578209 503436127 /nfs/dbraw/zinc/43/61/27/503436127.db2.gz YWXJYXNXCNKYHY-CYBMUJFWSA-N 1 2 355.301 3.262 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](Cc2csc(Br)c2)C2CC2)C1=O ZINC000499578209 503436132 /nfs/dbraw/zinc/43/61/32/503436132.db2.gz YWXJYXNXCNKYHY-CYBMUJFWSA-N 1 2 355.301 3.262 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000512219077 503489451 /nfs/dbraw/zinc/48/94/51/503489451.db2.gz NFELYFVMXDQHNN-CQSZACIVSA-N 1 2 354.410 3.356 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000512219077 503489454 /nfs/dbraw/zinc/48/94/54/503489454.db2.gz NFELYFVMXDQHNN-CQSZACIVSA-N 1 2 354.410 3.356 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954590 503521267 /nfs/dbraw/zinc/52/12/67/503521267.db2.gz MNCOXPXLFFVCFM-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000499954590 503521269 /nfs/dbraw/zinc/52/12/69/503521269.db2.gz MNCOXPXLFFVCFM-XHDPSFHLSA-N 1 2 370.280 3.039 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cnn(C(C)C)c1 ZINC000512506071 503572388 /nfs/dbraw/zinc/57/23/88/503572388.db2.gz GRPZOSHGKMHEIK-VQTJNVASSA-N 1 2 374.529 3.012 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000516697450 503572297 /nfs/dbraw/zinc/57/22/97/503572297.db2.gz PUVQPWHXSAVMDS-IBGZPJMESA-N 1 2 355.388 3.242 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cnn(C(C)C)c1 ZINC000512506071 503572393 /nfs/dbraw/zinc/57/23/93/503572393.db2.gz GRPZOSHGKMHEIK-VQTJNVASSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512506016 503572670 /nfs/dbraw/zinc/57/26/70/503572670.db2.gz GCVKHLPAAUWRJB-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512506016 503572674 /nfs/dbraw/zinc/57/26/74/503572674.db2.gz GCVKHLPAAUWRJB-UHFFFAOYSA-N 1 2 356.470 3.489 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512517674 503575190 /nfs/dbraw/zinc/57/51/90/503575190.db2.gz ZLZKSDLTJLMPNY-KRWDZBQOSA-N 1 2 372.517 3.220 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000512517674 503575194 /nfs/dbraw/zinc/57/51/94/503575194.db2.gz ZLZKSDLTJLMPNY-KRWDZBQOSA-N 1 2 372.517 3.220 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000512536514 503579503 /nfs/dbraw/zinc/57/95/03/503579503.db2.gz JKUILLSIPRGUCR-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1C)Cc1cnn(C(C)C)c1 ZINC000512536514 503579506 /nfs/dbraw/zinc/57/95/06/503579506.db2.gz JKUILLSIPRGUCR-UHFFFAOYSA-N 1 2 354.498 3.467 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000512698419 503615544 /nfs/dbraw/zinc/61/55/44/503615544.db2.gz AXCMPSWJHPVUBE-UHFFFAOYSA-N 1 2 353.853 3.308 20 30 FGEDLO Cc1c(C#N)cccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000512698419 503615548 /nfs/dbraw/zinc/61/55/48/503615548.db2.gz AXCMPSWJHPVUBE-UHFFFAOYSA-N 1 2 353.853 3.308 20 30 FGEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000536649997 503659447 /nfs/dbraw/zinc/65/94/47/503659447.db2.gz NKZKIURPRLEEKY-UHFFFAOYSA-N 1 2 370.474 3.005 20 30 FGEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000495082072 503661068 /nfs/dbraw/zinc/66/10/68/503661068.db2.gz VEOQTUHQIGZGRS-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000546259342 503689674 /nfs/dbraw/zinc/68/96/74/503689674.db2.gz XAYNDWOLFADVRO-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000537028023 503782123 /nfs/dbraw/zinc/78/21/23/503782123.db2.gz AZMUDNAQBRKSPR-CYBMUJFWSA-N 1 2 361.405 3.417 20 30 FGEDLO C=CCOc1cccnc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000537089278 503797945 /nfs/dbraw/zinc/79/79/45/503797945.db2.gz WTYGVJZPGJVIMX-MRXNPFEDSA-N 1 2 367.449 3.292 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000517734642 503821113 /nfs/dbraw/zinc/82/11/13/503821113.db2.gz VXDYQBHLFOQXCS-BQFCYCMXSA-N 1 2 358.486 3.481 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)cc1 ZINC000527682534 503893462 /nfs/dbraw/zinc/89/34/62/503893462.db2.gz DWVWUTPEUIWNDN-RBUKOAKNSA-N 1 2 351.475 3.068 20 30 FGEDLO N#CC1(CCCNc2ccc([NH+]3CCCCC3)cc2C(N)=O)CCOCC1 ZINC000537508062 503937448 /nfs/dbraw/zinc/93/74/48/503937448.db2.gz VAHVGYGSBLGYHP-UHFFFAOYSA-N 1 2 370.497 3.288 20 30 FGEDLO C=CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255089 503937393 /nfs/dbraw/zinc/93/73/93/503937393.db2.gz FFAWHRGBWIZAML-ZDUSSCGKSA-N 1 2 370.438 3.381 20 30 FGEDLO C=CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255089 503937400 /nfs/dbraw/zinc/93/74/00/503937400.db2.gz FFAWHRGBWIZAML-ZDUSSCGKSA-N 1 2 370.438 3.381 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000543916846 503940957 /nfs/dbraw/zinc/94/09/57/503940957.db2.gz ITDGIYFKYNWOHN-HNNXBMFYSA-N 1 2 359.495 3.132 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000543916846 503940963 /nfs/dbraw/zinc/94/09/63/503940963.db2.gz ITDGIYFKYNWOHN-HNNXBMFYSA-N 1 2 359.495 3.132 20 30 FGEDLO Cc1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)nn1-c1cccc(C#N)c1 ZINC000547051619 503968689 /nfs/dbraw/zinc/96/86/89/503968689.db2.gz SPNOUHBHODJRIW-UHFFFAOYSA-N 1 2 356.389 3.397 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163240 504028135 /nfs/dbraw/zinc/02/81/35/504028135.db2.gz NOQONTDFOBMSEO-VQIMIIECSA-N 1 2 370.415 3.338 20 30 FGEDLO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541163240 504028136 /nfs/dbraw/zinc/02/81/36/504028136.db2.gz NOQONTDFOBMSEO-VQIMIIECSA-N 1 2 370.415 3.338 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000530722326 504065233 /nfs/dbraw/zinc/06/52/33/504065233.db2.gz ZJHOLTBCOIVLFQ-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO N#CCc1cc[nH+]c(NCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000547341429 504068584 /nfs/dbraw/zinc/06/85/84/504068584.db2.gz YIRGVQKAKFGOGQ-UHFFFAOYSA-N 1 2 360.211 3.293 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000519084258 504135799 /nfs/dbraw/zinc/13/57/99/504135799.db2.gz NXCNSVMNHNXQRC-UHFFFAOYSA-N 1 2 354.479 3.195 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)NCCNc3cccc[nH+]3)cc2)ccn1 ZINC000519736782 504320896 /nfs/dbraw/zinc/32/08/96/504320896.db2.gz VKVPGGNWCFCRJF-UHFFFAOYSA-N 1 2 374.404 3.374 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1C ZINC000545224928 504405289 /nfs/dbraw/zinc/40/52/89/504405289.db2.gz XUVOGKWWEZVKSL-SFHVURJKSA-N 1 2 372.431 3.499 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000539028836 504450869 /nfs/dbraw/zinc/45/08/69/504450869.db2.gz HNDDNNMICSKBCY-MSOLQXFVSA-N 1 2 363.889 3.072 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000539028836 504450876 /nfs/dbraw/zinc/45/08/76/504450876.db2.gz HNDDNNMICSKBCY-MSOLQXFVSA-N 1 2 363.889 3.072 20 30 FGEDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)c2[nH+]ccn21 ZINC000520348756 504474663 /nfs/dbraw/zinc/47/46/63/504474663.db2.gz VCOHAZWXEKSDTF-TVQRCGJNSA-N 1 2 360.215 3.345 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000548630519 504502581 /nfs/dbraw/zinc/50/25/81/504502581.db2.gz NNGHRMOMPNLMFN-FQEVSTJZSA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000548630519 504502585 /nfs/dbraw/zinc/50/25/85/504502585.db2.gz NNGHRMOMPNLMFN-FQEVSTJZSA-N 1 2 352.434 3.043 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000520466574 504507120 /nfs/dbraw/zinc/50/71/20/504507120.db2.gz OZCXSGDYZVLIMJ-GFCCVEGCSA-N 1 2 374.432 3.028 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000520466574 504507124 /nfs/dbraw/zinc/50/71/24/504507124.db2.gz OZCXSGDYZVLIMJ-GFCCVEGCSA-N 1 2 374.432 3.028 20 30 FGEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000542581729 504546043 /nfs/dbraw/zinc/54/60/43/504546043.db2.gz STADVAAQLYQGHS-WDEREUQCSA-N 1 2 373.482 3.258 20 30 FGEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000548791736 504569289 /nfs/dbraw/zinc/56/92/89/504569289.db2.gz GKMZRVILLOPBCT-UHFFFAOYSA-N 1 2 351.841 3.440 20 30 FGEDLO N#CC1(c2ccccn2)CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000548791736 504569294 /nfs/dbraw/zinc/56/92/94/504569294.db2.gz GKMZRVILLOPBCT-UHFFFAOYSA-N 1 2 351.841 3.440 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566403 504609788 /nfs/dbraw/zinc/60/97/88/504609788.db2.gz UPFZIBSOULZKEZ-CZUORRHYSA-N 1 2 353.388 3.288 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000539566403 504609792 /nfs/dbraw/zinc/60/97/92/504609792.db2.gz UPFZIBSOULZKEZ-CZUORRHYSA-N 1 2 353.388 3.288 20 30 FGEDLO CCc1[nH+]c2cc(CNS(=O)(=O)CCCCC#N)ccc2n1C1CC1 ZINC000548976320 504641322 /nfs/dbraw/zinc/64/13/22/504641322.db2.gz UYQBEJHSLNAIMU-UHFFFAOYSA-N 1 2 360.483 3.047 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)c1C ZINC000521211084 504680567 /nfs/dbraw/zinc/68/05/67/504680567.db2.gz JFLZTHVJGVJNCO-HNNXBMFYSA-N 1 2 353.422 3.005 20 30 FGEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cn2ccccc2c1C#N ZINC000549151536 504705079 /nfs/dbraw/zinc/70/50/79/504705079.db2.gz TUEVAFMCPSZYJK-UHFFFAOYSA-N 1 2 366.490 3.319 20 30 FGEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cn2ccccc2c1C#N ZINC000549151536 504705083 /nfs/dbraw/zinc/70/50/83/504705083.db2.gz TUEVAFMCPSZYJK-UHFFFAOYSA-N 1 2 366.490 3.319 20 30 FGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532727506 504746135 /nfs/dbraw/zinc/74/61/35/504746135.db2.gz HKMRGZQZHGGKFD-KRWDZBQOSA-N 1 2 357.845 3.111 20 30 FGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532727506 504746138 /nfs/dbraw/zinc/74/61/38/504746138.db2.gz HKMRGZQZHGGKFD-KRWDZBQOSA-N 1 2 357.845 3.111 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000565047891 504780774 /nfs/dbraw/zinc/78/07/74/504780774.db2.gz XXTNETZVHRKAJX-UHFFFAOYSA-N 1 2 358.348 3.067 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000559263967 504812752 /nfs/dbraw/zinc/81/27/52/504812752.db2.gz OIWUJMKFAXPRMI-JSGCOSHPSA-N 1 2 367.434 3.279 20 30 FGEDLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000559263967 504812757 /nfs/dbraw/zinc/81/27/57/504812757.db2.gz OIWUJMKFAXPRMI-JSGCOSHPSA-N 1 2 367.434 3.279 20 30 FGEDLO N#Cc1ncc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000556804986 504979394 /nfs/dbraw/zinc/97/93/94/504979394.db2.gz ZDAXJSQPJYWEIT-QGZVFWFLSA-N 1 2 372.881 3.335 20 30 FGEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c[nH]1 ZINC000550188300 504988772 /nfs/dbraw/zinc/98/87/72/504988772.db2.gz OXKUPMDTVALEFW-UHFFFAOYSA-N 1 2 353.813 3.079 20 30 FGEDLO C=CCc1ccc(OCC(=O)NCc2cn3cc(C)ccc3[nH+]2)c(OC)c1 ZINC000560190233 505015869 /nfs/dbraw/zinc/01/58/69/505015869.db2.gz URYIMLXRJZVPNL-UHFFFAOYSA-N 1 2 365.433 3.075 20 30 FGEDLO C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1noc(Cc2ccccc2)n1 ZINC000560260329 505032930 /nfs/dbraw/zinc/03/29/30/505032930.db2.gz RFWVWFXXKXBNAX-CQSZACIVSA-N 1 2 358.405 3.031 20 30 FGEDLO N#CCCC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000563066610 505038104 /nfs/dbraw/zinc/03/81/04/505038104.db2.gz XJHRIIJKWQWUIG-UHFFFAOYSA-N 1 2 364.375 3.197 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566618498 505224009 /nfs/dbraw/zinc/22/40/09/505224009.db2.gz OQRMDIWDMWZGDT-JKSUJKDBSA-N 1 2 359.445 3.104 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566618498 505224015 /nfs/dbraw/zinc/22/40/15/505224015.db2.gz OQRMDIWDMWZGDT-JKSUJKDBSA-N 1 2 359.445 3.104 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4ccccc4c3)CC2)cc1 ZINC000561043268 505236335 /nfs/dbraw/zinc/23/63/35/505236335.db2.gz QVDAMPCTYWFCES-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000554849408 505281292 /nfs/dbraw/zinc/28/12/92/505281292.db2.gz ZTCOTANUGXMGNQ-UHFFFAOYSA-N 1 2 372.440 3.147 20 30 FGEDLO C=CCNC(=O)C[N@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000554849408 505281297 /nfs/dbraw/zinc/28/12/97/505281297.db2.gz ZTCOTANUGXMGNQ-UHFFFAOYSA-N 1 2 372.440 3.147 20 30 FGEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000558183581 505329731 /nfs/dbraw/zinc/32/97/31/505329731.db2.gz PPFJLJAXFXZJFP-LJQANCHMSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000558183581 505329734 /nfs/dbraw/zinc/32/97/34/505329734.db2.gz PPFJLJAXFXZJFP-LJQANCHMSA-N 1 2 372.490 3.424 20 30 FGEDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561848710 505449809 /nfs/dbraw/zinc/44/98/09/505449809.db2.gz NDYKHYHQFOEXBE-CQSZACIVSA-N 1 2 364.287 3.059 20 30 FGEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000561848710 505449811 /nfs/dbraw/zinc/44/98/11/505449811.db2.gz NDYKHYHQFOEXBE-CQSZACIVSA-N 1 2 364.287 3.059 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OC(C)C ZINC000555685954 505491144 /nfs/dbraw/zinc/49/11/44/505491144.db2.gz LNVSVLDKCCOLRC-UHFFFAOYSA-N 1 2 366.465 3.071 20 30 FGEDLO C=CCOc1ccc(CNC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000552706854 505539794 /nfs/dbraw/zinc/53/97/94/505539794.db2.gz SPIIPKYFYUNFOG-HXUWFJFHSA-N 1 2 360.498 3.005 20 30 FGEDLO Cc1cc(N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000564903243 505554452 /nfs/dbraw/zinc/55/44/52/505554452.db2.gz KTIGNRBIYYRNSO-KRWDZBQOSA-N 1 2 366.440 3.324 20 30 FGEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599265696 506390623 /nfs/dbraw/zinc/39/06/23/506390623.db2.gz TXGVACMSMDPGGD-UHFFFAOYSA-N 1 2 363.461 3.223 20 30 FGEDLO Cc1cc(Br)cc2c(C(=O)N[C@](C)(C#N)C[NH+](C)C)coc21 ZINC000582789314 506421553 /nfs/dbraw/zinc/42/15/53/506421553.db2.gz VPYGLPIGCLTZTJ-MRXNPFEDSA-N 1 2 364.243 3.077 20 30 FGEDLO COC(=O)[C@@]1([NH2+]CCCCC#N)CCc2cc(Br)ccc2C1 ZINC000599595790 506521499 /nfs/dbraw/zinc/52/14/99/506521499.db2.gz QAGHSCSGEPGDEV-QGZVFWFLSA-N 1 2 365.271 3.133 20 30 FGEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000612346768 506537822 /nfs/dbraw/zinc/53/78/22/506537822.db2.gz XPYNVZJMGQBZCE-UHFFFAOYSA-N 1 2 362.389 3.444 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612375502 506551083 /nfs/dbraw/zinc/55/10/83/506551083.db2.gz WARMBRBMCNBUHV-FXAWDEMLSA-N 1 2 351.454 3.039 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000603550973 506552858 /nfs/dbraw/zinc/55/28/58/506552858.db2.gz QXPKNSLFCXLDNZ-IBGZPJMESA-N 1 2 364.449 3.056 20 30 FGEDLO CCc1nc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599677512 506574042 /nfs/dbraw/zinc/57/40/42/506574042.db2.gz KOGLESPBKNYNIQ-UHFFFAOYSA-N 1 2 354.479 3.077 20 30 FGEDLO CCc1nc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599677512 506574046 /nfs/dbraw/zinc/57/40/46/506574046.db2.gz KOGLESPBKNYNIQ-UHFFFAOYSA-N 1 2 354.479 3.077 20 30 FGEDLO N#Cc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000589622010 506608782 /nfs/dbraw/zinc/60/87/82/506608782.db2.gz VEILSZYQKXCFHM-UHFFFAOYSA-N 1 2 365.824 3.146 20 30 FGEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCC1 ZINC000593429921 506616198 /nfs/dbraw/zinc/61/61/98/506616198.db2.gz MEUBXCSSCRCMPH-MOPGFXCFSA-N 1 2 363.465 3.495 20 30 FGEDLO CS[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593433738 506617460 /nfs/dbraw/zinc/61/74/60/506617460.db2.gz MMMGMPKQEYKOTC-RTBURBONSA-N 1 2 372.538 3.060 20 30 FGEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000603834476 506628259 /nfs/dbraw/zinc/62/82/59/506628259.db2.gz VYYXHUWNWDCUJI-OAHLLOKOSA-N 1 2 369.856 3.128 20 30 FGEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000603834476 506628266 /nfs/dbraw/zinc/62/82/66/506628266.db2.gz VYYXHUWNWDCUJI-OAHLLOKOSA-N 1 2 369.856 3.128 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000583175833 506628730 /nfs/dbraw/zinc/62/87/30/506628730.db2.gz XSRHBTOYZHQLGB-UHFFFAOYSA-N 1 2 357.498 3.122 20 30 FGEDLO Cc1cc(C)c(C#N)c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000603858706 506639066 /nfs/dbraw/zinc/63/90/66/506639066.db2.gz VEJGZWZEGVJTCN-IYBDPMFKSA-N 1 2 351.454 3.191 20 30 FGEDLO COc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000603892991 506652013 /nfs/dbraw/zinc/65/20/13/506652013.db2.gz ORKNNSACTNSCTH-UHFFFAOYSA-N 1 2 365.433 3.049 20 30 FGEDLO N#Cc1c(F)cccc1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589984782 506695788 /nfs/dbraw/zinc/69/57/88/506695788.db2.gz ZTHWVLCXNFEWFE-FQEVSTJZSA-N 1 2 373.859 3.202 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000608976908 506757404 /nfs/dbraw/zinc/75/74/04/506757404.db2.gz HYUMCNHEDDIXNF-AWEZNQCLSA-N 1 2 358.486 3.141 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000608976908 506757410 /nfs/dbraw/zinc/75/74/10/506757410.db2.gz HYUMCNHEDDIXNF-AWEZNQCLSA-N 1 2 358.486 3.141 20 30 FGEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000590176209 506758117 /nfs/dbraw/zinc/75/81/17/506758117.db2.gz RCUCWWMNTWZYEQ-UHFFFAOYSA-N 1 2 370.350 3.482 20 30 FGEDLO Cc1nc(SCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c(C)c1C ZINC000609131030 506786285 /nfs/dbraw/zinc/78/62/85/506786285.db2.gz GPLGYROBQHGQJU-MRXNPFEDSA-N 1 2 369.494 3.031 20 30 FGEDLO C[C@H](c1cccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1)[NH+]1CCOCC1 ZINC000597154396 506802692 /nfs/dbraw/zinc/80/26/92/506802692.db2.gz NKPDSNKKZSBVDJ-CYBMUJFWSA-N 1 2 371.387 3.482 20 30 FGEDLO C[C@H](c1cccc(NC(=O)NCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000609209472 506814987 /nfs/dbraw/zinc/81/49/87/506814987.db2.gz HGKQQLWZZUUPDV-MRXNPFEDSA-N 1 2 364.449 3.273 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)ccc1C#N ZINC000600207350 506846122 /nfs/dbraw/zinc/84/61/22/506846122.db2.gz DEJZQRAJVNCUBX-UHFFFAOYSA-N 1 2 360.461 3.366 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000593963649 506853742 /nfs/dbraw/zinc/85/37/42/506853742.db2.gz QYFKCWVHMHRLBV-UHFFFAOYSA-N 1 2 372.419 3.457 20 30 FGEDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)NC1(C#N)CCCCC1 ZINC000594053536 506909585 /nfs/dbraw/zinc/90/95/85/506909585.db2.gz CBSNTSQBECPSMO-WMZOPIPTSA-N 1 2 366.465 3.279 20 30 FGEDLO N#Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000609530168 506909782 /nfs/dbraw/zinc/90/97/82/506909782.db2.gz XWMUYGSLKWKWPY-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO N#Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000609530168 506909785 /nfs/dbraw/zinc/90/97/85/506909785.db2.gz XWMUYGSLKWKWPY-CYBMUJFWSA-N 1 2 361.417 3.292 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1Br ZINC000609590671 506935059 /nfs/dbraw/zinc/93/50/59/506935059.db2.gz DQWRNYAICPFEOY-OAHLLOKOSA-N 1 2 369.222 3.020 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cc1 ZINC000609658714 506963589 /nfs/dbraw/zinc/96/35/89/506963589.db2.gz DDZUPONUBCORAC-OAQYLSRUSA-N 1 2 359.473 3.323 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793246 507004446 /nfs/dbraw/zinc/00/44/46/507004446.db2.gz APPBMFXOGYRNJH-KRWDZBQOSA-N 1 2 374.504 3.125 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594212695 507013086 /nfs/dbraw/zinc/01/30/86/507013086.db2.gz HUYDEHRKANZNQI-UHFFFAOYSA-N 1 2 359.433 3.332 20 30 FGEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000594215861 507015231 /nfs/dbraw/zinc/01/52/31/507015231.db2.gz GHZINIDBWJCUAM-MRXNPFEDSA-N 1 2 353.491 3.143 20 30 FGEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000609840311 507021025 /nfs/dbraw/zinc/02/10/25/507021025.db2.gz GFWTVTCCTPDCDS-CQSZACIVSA-N 1 2 357.454 3.358 20 30 FGEDLO CS[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000610059394 507085519 /nfs/dbraw/zinc/08/55/19/507085519.db2.gz YNVPUXFIPZVBMD-HXUWFJFHSA-N 1 2 365.502 3.307 20 30 FGEDLO N#CC1(C[C@@H](O)CNc2ccc(Oc3cc[nH+]cc3)cc2)CCOCC1 ZINC000600741862 507093462 /nfs/dbraw/zinc/09/34/62/507093462.db2.gz HLMUSVMBTXVHKX-QGZVFWFLSA-N 1 2 353.422 3.357 20 30 FGEDLO N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)CC1 ZINC000594511767 507162769 /nfs/dbraw/zinc/16/27/69/507162769.db2.gz OJRNOCNNUQMSKA-GNZRSQJKSA-N 1 2 351.454 3.150 20 30 FGEDLO C=CCCn1cc(CSC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000594565873 507188275 /nfs/dbraw/zinc/18/82/75/507188275.db2.gz PZKNLBLRZFVIHJ-KRWDZBQOSA-N 1 2 371.510 3.115 20 30 FGEDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000610321889 507193589 /nfs/dbraw/zinc/19/35/89/507193589.db2.gz MPVPNFZPNFXWFB-INIZCTEOSA-N 1 2 364.449 3.273 20 30 FGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610389868 507221709 /nfs/dbraw/zinc/22/17/09/507221709.db2.gz JSABQVWKYNXWEC-CYBMUJFWSA-N 1 2 367.409 3.215 20 30 FGEDLO Cc1cccn2cc(CCNc3c(C#N)cnc4c(F)ccc(F)c43)[nH+]c12 ZINC000610468896 507251443 /nfs/dbraw/zinc/25/14/43/507251443.db2.gz RSKXHJNJXCFSNL-UHFFFAOYSA-N 1 2 363.371 3.417 20 30 FGEDLO C=C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000594733843 507259194 /nfs/dbraw/zinc/25/91/94/507259194.db2.gz YETREEPLHRCNTA-UHFFFAOYSA-N 1 2 372.387 3.321 20 30 FGEDLO N#Cc1cnc(N2CCC[N@H+](Cc3cscn3)CC2)c2sccc21 ZINC000601110675 507264866 /nfs/dbraw/zinc/26/48/66/507264866.db2.gz JYIYAMALLUHYIG-UHFFFAOYSA-N 1 2 355.492 3.337 20 30 FGEDLO N#Cc1cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c2sccc21 ZINC000601110675 507264871 /nfs/dbraw/zinc/26/48/71/507264871.db2.gz JYIYAMALLUHYIG-UHFFFAOYSA-N 1 2 355.492 3.337 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000610668200 507339230 /nfs/dbraw/zinc/33/92/30/507339230.db2.gz YYNNSWKQEVRNPN-KRWDZBQOSA-N 1 2 366.371 3.284 20 30 FGEDLO N#Cc1cnccc1CN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000592075842 507476133 /nfs/dbraw/zinc/47/61/33/507476133.db2.gz PZHCMYSCMJYDOJ-UHFFFAOYSA-N 1 2 371.282 3.034 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@H](CC)CN1Cc1ccncc1C#N ZINC000592083892 507476475 /nfs/dbraw/zinc/47/64/75/507476475.db2.gz RSTSTEQADVOPLK-FGZHOGPDSA-N 1 2 374.492 3.095 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@H](CC)CN1Cc1ccncc1C#N ZINC000592083892 507476483 /nfs/dbraw/zinc/47/64/83/507476483.db2.gz RSTSTEQADVOPLK-FGZHOGPDSA-N 1 2 374.492 3.095 20 30 FGEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000614396074 507495818 /nfs/dbraw/zinc/49/58/18/507495818.db2.gz UWUMUVDOKCBBJZ-UHFFFAOYSA-N 1 2 365.477 3.202 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592129274 507496704 /nfs/dbraw/zinc/49/67/04/507496704.db2.gz TUXYLPDLCSTJBM-UHFFFAOYSA-N 1 2 363.421 3.277 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146568 507510100 /nfs/dbraw/zinc/51/01/00/507510100.db2.gz JKWSLAYSURCHRL-UNMCSNQZSA-N 1 2 363.461 3.334 20 30 FGEDLO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146568 507510105 /nfs/dbraw/zinc/51/01/05/507510105.db2.gz JKWSLAYSURCHRL-UNMCSNQZSA-N 1 2 363.461 3.334 20 30 FGEDLO C=CC[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000614466465 507526511 /nfs/dbraw/zinc/52/65/11/507526511.db2.gz SKEOYEOSUOKJKT-QGZVFWFLSA-N 1 2 354.454 3.032 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000598648210 507532867 /nfs/dbraw/zinc/53/28/67/507532867.db2.gz IEUTWPXAEXIPHT-HNNXBMFYSA-N 1 2 352.438 3.038 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000598648210 507532875 /nfs/dbraw/zinc/53/28/75/507532875.db2.gz IEUTWPXAEXIPHT-HNNXBMFYSA-N 1 2 352.438 3.038 20 30 FGEDLO C=CCOc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000611260243 507587199 /nfs/dbraw/zinc/58/71/99/507587199.db2.gz MXTQZNZQGFILPU-UHFFFAOYSA-N 1 2 364.449 3.311 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602162451 507610440 /nfs/dbraw/zinc/61/04/40/507610440.db2.gz BIEBVYWPFSDHSJ-HZPDHXFCSA-N 1 2 362.355 3.442 20 30 FGEDLO N#CCc1cccc2c1CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC000602196248 507625615 /nfs/dbraw/zinc/62/56/15/507625615.db2.gz PGHUAAQYUITWAB-MRXNPFEDSA-N 1 2 362.355 3.028 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598836589 507629450 /nfs/dbraw/zinc/62/94/50/507629450.db2.gz NPPVOEUKIWHGTJ-AZUAARDMSA-N 1 2 355.869 3.432 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595715114 507645500 /nfs/dbraw/zinc/64/55/00/507645500.db2.gz RAADSBCWZQTWAE-MRXNPFEDSA-N 1 2 363.465 3.456 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000595722971 507648417 /nfs/dbraw/zinc/64/84/17/507648417.db2.gz KZYLNBSHTJBUJQ-QGZVFWFLSA-N 1 2 358.511 3.312 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595757750 507669406 /nfs/dbraw/zinc/66/94/06/507669406.db2.gz FFFHAAVNMCTXOA-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595757750 507669409 /nfs/dbraw/zinc/66/94/09/507669409.db2.gz FFFHAAVNMCTXOA-IBGZPJMESA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000595768018 507676019 /nfs/dbraw/zinc/67/60/19/507676019.db2.gz WRJLNCXZCUWSJJ-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000595768018 507676024 /nfs/dbraw/zinc/67/60/24/507676024.db2.gz WRJLNCXZCUWSJJ-UHFFFAOYSA-N 1 2 372.465 3.383 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595770987 507678054 /nfs/dbraw/zinc/67/80/54/507678054.db2.gz YHGFBUYFHAHJBU-UNMCSNQZSA-N 1 2 364.445 3.445 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595770987 507678057 /nfs/dbraw/zinc/67/80/57/507678057.db2.gz YHGFBUYFHAHJBU-UNMCSNQZSA-N 1 2 364.445 3.445 20 30 FGEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587045599 507705522 /nfs/dbraw/zinc/70/55/22/507705522.db2.gz XEIPBVUYIRDXCE-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595833593 507707073 /nfs/dbraw/zinc/70/70/73/507707073.db2.gz DWCCQECTCDTTMQ-OAQYLSRUSA-N 1 2 351.450 3.042 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595833593 507707076 /nfs/dbraw/zinc/70/70/76/507707076.db2.gz DWCCQECTCDTTMQ-OAQYLSRUSA-N 1 2 351.450 3.042 20 30 FGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595838886 507708054 /nfs/dbraw/zinc/70/80/54/507708054.db2.gz ASWYGQPAMIXYNV-FPOVZHCZSA-N 1 2 355.482 3.374 20 30 FGEDLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595838886 507708068 /nfs/dbraw/zinc/70/80/68/507708068.db2.gz ASWYGQPAMIXYNV-FPOVZHCZSA-N 1 2 355.482 3.374 20 30 FGEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000595837446 507708934 /nfs/dbraw/zinc/70/89/34/507708934.db2.gz GWTZPMMARSJPAE-SFHVURJKSA-N 1 2 365.399 3.432 20 30 FGEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000595837446 507708937 /nfs/dbraw/zinc/70/89/37/507708937.db2.gz GWTZPMMARSJPAE-SFHVURJKSA-N 1 2 365.399 3.432 20 30 FGEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 ZINC000611550431 507733698 /nfs/dbraw/zinc/73/36/98/507733698.db2.gz AWUWPOMPNIGYQD-PBHICJAKSA-N 1 2 371.412 3.149 20 30 FGEDLO CCCc1c(Nc2cc(-n3cc[nH+]c3)ncn2)cnn1-c1cccc(C#N)c1 ZINC000615179617 507772209 /nfs/dbraw/zinc/77/22/09/507772209.db2.gz SATYZIMJQGCFLO-UHFFFAOYSA-N 1 2 370.420 3.416 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380228 608749069 /nfs/dbraw/zinc/74/90/69/608749069.db2.gz RTAOBGXRKIFKPD-HZPDHXFCSA-N 1 2 350.451 3.200 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000826380228 608749071 /nfs/dbraw/zinc/74/90/71/608749071.db2.gz RTAOBGXRKIFKPD-HZPDHXFCSA-N 1 2 350.451 3.200 20 30 FGEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000046519066 695841526 /nfs/dbraw/zinc/84/15/26/695841526.db2.gz YAXYFAWCWVPISU-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000046519066 695841531 /nfs/dbraw/zinc/84/15/31/695841531.db2.gz YAXYFAWCWVPISU-UHFFFAOYSA-N 1 2 358.785 3.190 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000132810556 700831591 /nfs/dbraw/zinc/83/15/91/700831591.db2.gz VLBAVYIMSSRVNL-UXHICEINSA-N 1 2 355.869 3.256 20 30 FGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1=S ZINC000172970056 705440390 /nfs/dbraw/zinc/44/03/90/705440390.db2.gz DWCZTYFZEVSQGK-GOSISDBHSA-N 1 2 358.511 3.405 20 30 FGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1=S ZINC000172970056 705440392 /nfs/dbraw/zinc/44/03/92/705440392.db2.gz DWCZTYFZEVSQGK-GOSISDBHSA-N 1 2 358.511 3.405 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000177591442 705629409 /nfs/dbraw/zinc/62/94/09/705629409.db2.gz FDMWKCCHJSHMKF-QINSGFPZSA-N 1 2 356.775 3.063 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c[nH]c[nH+]1 ZINC000189304671 712791402 /nfs/dbraw/zinc/79/14/02/712791402.db2.gz DXGJGFQPYXXKTF-UHFFFAOYSA-N 1 2 366.234 3.459 20 30 FGEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c[nH+]c[nH]1 ZINC000189304671 712791404 /nfs/dbraw/zinc/79/14/04/712791404.db2.gz DXGJGFQPYXXKTF-UHFFFAOYSA-N 1 2 366.234 3.459 20 30 FGEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nccn1C(F)F ZINC000237677761 713595988 /nfs/dbraw/zinc/59/59/88/713595988.db2.gz YYOSFSURSXKKHP-UHFFFAOYSA-N 1 2 370.197 3.343 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245588074 713607766 /nfs/dbraw/zinc/60/77/66/713607766.db2.gz KDUQWJMZJGDEFX-IAGOWNOFSA-N 1 2 351.853 3.327 20 30 FGEDLO C#CCCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245588074 713607767 /nfs/dbraw/zinc/60/77/67/713607767.db2.gz KDUQWJMZJGDEFX-IAGOWNOFSA-N 1 2 351.853 3.327 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374566616 713931461 /nfs/dbraw/zinc/93/14/61/713931461.db2.gz RCCHPKZWXMHKSM-CQSZACIVSA-N 1 2 357.841 3.447 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374566616 713931463 /nfs/dbraw/zinc/93/14/63/713931463.db2.gz RCCHPKZWXMHKSM-CQSZACIVSA-N 1 2 357.841 3.447 20 30 FGEDLO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488283437 714100870 /nfs/dbraw/zinc/10/08/70/714100870.db2.gz TVQZMZABGMUSNJ-QGZVFWFLSA-N 1 2 372.266 3.369 20 30 FGEDLO CC[N@@H+](Cc1cccc(Br)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488283437 714100873 /nfs/dbraw/zinc/10/08/73/714100873.db2.gz TVQZMZABGMUSNJ-QGZVFWFLSA-N 1 2 372.266 3.369 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cl ZINC000619746711 714865939 /nfs/dbraw/zinc/86/59/39/714865939.db2.gz JUWXPKBIMQTDRI-GOSISDBHSA-N 1 2 357.816 3.460 20 30 FGEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000619762452 714867910 /nfs/dbraw/zinc/86/79/10/714867910.db2.gz FNWCWQGGVCXIHN-OAHLLOKOSA-N 1 2 354.479 3.208 20 30 FGEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2Br)C1=O ZINC000802725895 724402374 /nfs/dbraw/zinc/40/23/74/724402374.db2.gz NRHGJXPIJMNAGA-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1Cc2c(cccc2Br)C1=O ZINC000802725895 724402376 /nfs/dbraw/zinc/40/23/76/724402376.db2.gz NRHGJXPIJMNAGA-UHFFFAOYSA-N 1 2 370.250 3.366 20 30 FGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(Cl)cc2-n2cncn2)ccc1F ZINC000794714308 723542616 /nfs/dbraw/zinc/54/26/16/723542616.db2.gz DPTPOYKREHFDFE-UHFFFAOYSA-N 1 2 359.792 3.205 20 30 FGEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1c(F)cc(F)c(F)c1F ZINC000635871656 717206197 /nfs/dbraw/zinc/20/61/97/717206197.db2.gz YPWFIJZIXXNDIZ-SNVBAGLBSA-N 1 2 369.240 3.249 20 30 FGEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncc[nH]2)cc1OCC ZINC000639373054 717549718 /nfs/dbraw/zinc/54/97/18/717549718.db2.gz UNPMVMSDQNVNAO-UHFFFAOYSA-N 1 2 366.259 3.426 20 30 FGEDLO C=CCCn1cc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nn1 ZINC000653559729 719057619 /nfs/dbraw/zinc/05/76/19/719057619.db2.gz PTGVIORSTRPVSL-MRXNPFEDSA-N 1 2 359.905 3.386 20 30 FGEDLO C#Cc1cccc(NC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783839828 724794951 /nfs/dbraw/zinc/79/49/51/724794951.db2.gz SUNQNOUCYNVQNV-UHFFFAOYSA-N 1 2 351.460 3.236 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2OC)CC1 ZINC001165035326 721873539 /nfs/dbraw/zinc/87/35/39/721873539.db2.gz ULGYMIPBCFFUGT-UHFFFAOYSA-N 1 2 360.845 3.239 20 30 FGEDLO O=C1Nc2ccc(Br)cc2C1=NNc1cc[nH+]c2ccccc12 ZINC000730147396 722465531 /nfs/dbraw/zinc/46/55/31/722465531.db2.gz DFCGYAUSSCRTJB-UHFFFAOYSA-N 1 2 367.206 3.188 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943280 722479737 /nfs/dbraw/zinc/47/97/37/722479737.db2.gz KQACXKIVHNCDDX-HNNXBMFYSA-N 1 2 355.910 3.484 20 30 FGEDLO C=C(C)CNC(=S)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943280 722479738 /nfs/dbraw/zinc/47/97/38/722479738.db2.gz KQACXKIVHNCDDX-HNNXBMFYSA-N 1 2 355.910 3.484 20 30 FGEDLO C=CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000732180820 722481894 /nfs/dbraw/zinc/48/18/94/722481894.db2.gz CXGQQJYKTLQFCT-INIZCTEOSA-N 1 2 353.875 3.024 20 30 FGEDLO Cc1[nH+]cc(CN=Nc2ccc(C)nn2)n1-c1ccc(Br)cc1 ZINC000734978740 722511626 /nfs/dbraw/zinc/51/16/26/722511626.db2.gz AMHPBMGCOKMYML-UHFFFAOYSA-N 1 2 371.242 3.488 20 30 FGEDLO NC(=[NH+]O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)cc1 ZINC000742353217 722556162 /nfs/dbraw/zinc/55/61/62/722556162.db2.gz VCTFFXPMWBLTTQ-INIZCTEOSA-N 1 2 361.804 3.312 20 30 FGEDLO CC(C)[N@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744391532 722576562 /nfs/dbraw/zinc/57/65/62/722576562.db2.gz YCBXQHGYCWYPLL-UHFFFAOYSA-N 1 2 352.463 3.392 20 30 FGEDLO CC(C)[N@@H+](Cc1cccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744391532 722576563 /nfs/dbraw/zinc/57/65/63/722576563.db2.gz YCBXQHGYCWYPLL-UHFFFAOYSA-N 1 2 352.463 3.392 20 30 FGEDLO C#C[C@@H](CC)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753274597 722892397 /nfs/dbraw/zinc/89/23/97/722892397.db2.gz ZXSQFGLTGCXSLD-BBRMVZONSA-N 1 2 351.853 3.327 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)C#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228270 722951493 /nfs/dbraw/zinc/95/14/93/722951493.db2.gz UZLGNTFFRRYKHJ-UYAOXDASSA-N 1 2 356.828 3.392 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)C#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755228270 722951494 /nfs/dbraw/zinc/95/14/94/722951494.db2.gz UZLGNTFFRRYKHJ-UYAOXDASSA-N 1 2 356.828 3.392 20 30 FGEDLO C[C@@H]1CCC[C@@H](NC(=S)N[NH+]=Cc2ccc(N3CCCC3)nc2)[C@@H]1C ZINC000758370939 722988691 /nfs/dbraw/zinc/98/86/91/722988691.db2.gz GUWPHGJFKFXBFA-BFYDXBDKSA-N 1 2 359.543 3.305 20 30 FGEDLO C[C@@H]1CCC[C@H](NC(=S)N[NH+]=Cc2ccc(N3CCCC3)nc2)[C@@H]1C ZINC000758370944 722988693 /nfs/dbraw/zinc/98/86/93/722988693.db2.gz GUWPHGJFKFXBFA-INMHGKMJSA-N 1 2 359.543 3.305 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1C#N ZINC000792913954 723381928 /nfs/dbraw/zinc/38/19/28/723381928.db2.gz WAQNOYULTDTODO-GOEBONIOSA-N 1 2 353.249 3.361 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1C#N ZINC000792913954 723381933 /nfs/dbraw/zinc/38/19/33/723381933.db2.gz WAQNOYULTDTODO-GOEBONIOSA-N 1 2 353.249 3.361 20 30 FGEDLO CN(C)c1ccc(C=[NH+]NCCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000794526347 723529365 /nfs/dbraw/zinc/52/93/65/723529365.db2.gz PJSXAGPVKLQFIT-UHFFFAOYSA-N 1 2 357.298 3.274 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)s1 ZINC000794709981 723542232 /nfs/dbraw/zinc/54/22/32/723542232.db2.gz DWIKEVNSLPWBPV-ARJAWSKDSA-N 1 2 365.505 3.207 20 30 FGEDLO COCCCO[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000795051084 723559036 /nfs/dbraw/zinc/55/90/36/723559036.db2.gz MPWUWGVPFBHNOK-UHFFFAOYSA-N 1 2 366.053 3.181 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cn2nccc2-c2ccc(F)c(Cl)c2)C1=O ZINC000799144226 723990933 /nfs/dbraw/zinc/99/09/33/723990933.db2.gz WIMKIUOGOVQXRH-KRWDZBQOSA-N 1 2 362.836 3.019 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2nccc2-c2ccc(F)c(Cl)c2)C1=O ZINC000799144226 723990934 /nfs/dbraw/zinc/99/09/34/723990934.db2.gz WIMKIUOGOVQXRH-KRWDZBQOSA-N 1 2 362.836 3.019 20 30 FGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789523371 725134057 /nfs/dbraw/zinc/13/40/57/725134057.db2.gz YKHGMQDXVJLMFN-FQEVSTJZSA-N 1 2 352.865 3.424 20 30 FGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789523371 725134059 /nfs/dbraw/zinc/13/40/59/725134059.db2.gz YKHGMQDXVJLMFN-FQEVSTJZSA-N 1 2 352.865 3.424 20 30 FGEDLO CCC(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(N)c1 ZINC000814828636 727004120 /nfs/dbraw/zinc/00/41/20/727004120.db2.gz MOPPJAYJJXECLX-UHFFFAOYSA-N 1 2 353.394 3.491 20 30 FGEDLO N#CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCSCC1 ZINC000820558422 729004413 /nfs/dbraw/zinc/00/44/13/729004413.db2.gz QPOLRFHJJINWSS-UHFFFAOYSA-N 1 2 360.870 3.179 20 30 FGEDLO C#C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1F ZINC000820738227 729023648 /nfs/dbraw/zinc/02/36/48/729023648.db2.gz VEYKWPJREWACPZ-QGZVFWFLSA-N 1 2 360.820 3.397 20 30 FGEDLO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1C#N ZINC000823215508 729263731 /nfs/dbraw/zinc/26/37/31/729263731.db2.gz OHJHWGSUAGNCRP-UHFFFAOYSA-N 1 2 356.451 3.262 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C#Cc3cccs3)CC2)c1 ZINC000825703072 729392165 /nfs/dbraw/zinc/39/21/65/729392165.db2.gz IKIQAEAZGMAJGZ-INIZCTEOSA-N 1 2 354.475 3.014 20 30 FGEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000830578752 729573416 /nfs/dbraw/zinc/57/34/16/729573416.db2.gz GXEZJGBKUDCXRC-INIZCTEOSA-N 1 2 354.372 3.220 20 30 FGEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000830578752 729573419 /nfs/dbraw/zinc/57/34/19/729573419.db2.gz GXEZJGBKUDCXRC-INIZCTEOSA-N 1 2 354.372 3.220 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000831691043 729661866 /nfs/dbraw/zinc/66/18/66/729661866.db2.gz HASLBXVQMXIFOU-GFCCVEGCSA-N 1 2 351.244 3.289 20 30 FGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000853983581 731781191 /nfs/dbraw/zinc/78/11/91/731781191.db2.gz COAKREHFHUKXTI-HNNXBMFYSA-N 1 2 350.340 3.437 20 30 FGEDLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000857899321 732166757 /nfs/dbraw/zinc/16/67/57/732166757.db2.gz BUFNCTACBVWAOZ-SNVBAGLBSA-N 1 2 367.352 3.112 20 30 FGEDLO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1OC ZINC000858160850 732187298 /nfs/dbraw/zinc/18/72/98/732187298.db2.gz SFYLUMOEXHGFGF-LLVKDONJSA-N 1 2 363.849 3.086 20 30 FGEDLO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866309453 733335249 /nfs/dbraw/zinc/33/52/49/733335249.db2.gz GPANVSIGNDSMIU-ZBFHGGJFSA-N 1 2 358.463 3.167 20 30 FGEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535436 733362508 /nfs/dbraw/zinc/36/25/08/733362508.db2.gz DFHKKXAWKVHJPJ-UONOGXRCSA-N 1 2 358.463 3.122 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880551064 737186262 /nfs/dbraw/zinc/18/62/62/737186262.db2.gz DHWDFNWGGXYHMN-MRXNPFEDSA-N 1 2 352.463 3.043 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880551064 737186264 /nfs/dbraw/zinc/18/62/64/737186264.db2.gz DHWDFNWGGXYHMN-MRXNPFEDSA-N 1 2 352.463 3.043 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOc3cc(Br)ccc3C2)CCC1 ZINC000886287515 739240487 /nfs/dbraw/zinc/24/04/87/739240487.db2.gz SVAIKNFPCJOXNP-HNNXBMFYSA-N 1 2 365.271 3.088 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCOc3cc(Br)ccc3C2)CCC1 ZINC000886287515 739240492 /nfs/dbraw/zinc/24/04/92/739240492.db2.gz SVAIKNFPCJOXNP-HNNXBMFYSA-N 1 2 365.271 3.088 20 30 FGEDLO COc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(Br)cc1O ZINC000903038543 743799372 /nfs/dbraw/zinc/79/93/72/743799372.db2.gz YDTCWXXSRVBDHL-SNVBAGLBSA-N 1 2 362.227 3.281 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000950593903 762442780 /nfs/dbraw/zinc/44/27/80/762442780.db2.gz PAHBZCZRRNYKLO-FKDQEEMOSA-N 1 2 360.885 3.089 20 30 FGEDLO C#CC1(O)CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000931144300 760789993 /nfs/dbraw/zinc/78/99/93/760789993.db2.gz VBIRJWDIEKYPNQ-UHFFFAOYSA-N 1 2 352.221 3.004 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](C#N)C3)sc2C1 ZINC000932155443 761070075 /nfs/dbraw/zinc/07/00/75/761070075.db2.gz FGPGTLJVOKRDKV-KBPBESRZSA-N 1 2 356.495 3.309 20 30 FGEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](C#N)C3)sc2C1 ZINC000932155443 761070084 /nfs/dbraw/zinc/07/00/84/761070084.db2.gz FGPGTLJVOKRDKV-KBPBESRZSA-N 1 2 356.495 3.309 20 30 FGEDLO N#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000932158828 761070842 /nfs/dbraw/zinc/07/08/42/761070842.db2.gz OZCPXHDHGNJNRA-NSHDSACASA-N 1 2 354.223 3.152 20 30 FGEDLO N#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000932158828 761070852 /nfs/dbraw/zinc/07/08/52/761070852.db2.gz OZCPXHDHGNJNRA-NSHDSACASA-N 1 2 354.223 3.152 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000932666742 761212695 /nfs/dbraw/zinc/21/26/95/761212695.db2.gz JOEBJODTIXKOPR-GFCCVEGCSA-N 1 2 361.854 3.444 20 30 FGEDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000932666742 761212701 /nfs/dbraw/zinc/21/27/01/761212701.db2.gz JOEBJODTIXKOPR-GFCCVEGCSA-N 1 2 361.854 3.444 20 30 FGEDLO N#CCOc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000933319205 761362556 /nfs/dbraw/zinc/36/25/56/761362556.db2.gz UIYBGDHXSSMOCB-UHFFFAOYSA-N 1 2 373.254 3.310 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717829 761463613 /nfs/dbraw/zinc/46/36/13/761463613.db2.gz RKBZFSPVIGSWRX-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717829 761463617 /nfs/dbraw/zinc/46/36/17/761463617.db2.gz RKBZFSPVIGSWRX-LBPRGKRZSA-N 1 2 350.319 3.496 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)s1 ZINC000982007930 763546926 /nfs/dbraw/zinc/54/69/26/763546926.db2.gz NDMULNAZBLOHCA-IAGOWNOFSA-N 1 2 355.463 3.051 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)s1 ZINC000982007930 763546936 /nfs/dbraw/zinc/54/69/36/763546936.db2.gz NDMULNAZBLOHCA-IAGOWNOFSA-N 1 2 355.463 3.051 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](C/C(Cl)=C\Cl)CC2 ZINC000992243930 764592393 /nfs/dbraw/zinc/59/23/93/764592393.db2.gz WYEOAIKAKLVOKK-LQMCRZJISA-N 1 2 359.297 3.010 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](C/C(Cl)=C\Cl)CC2 ZINC000992243930 764592400 /nfs/dbraw/zinc/59/24/00/764592400.db2.gz WYEOAIKAKLVOKK-LQMCRZJISA-N 1 2 359.297 3.010 20 30 FGEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001006035117 765503892 /nfs/dbraw/zinc/50/38/92/765503892.db2.gz KYZGUMYSIPBVKE-HUUCEWRRSA-N 1 2 367.287 3.215 20 30 FGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040808 766109983 /nfs/dbraw/zinc/10/99/83/766109983.db2.gz BILZSCYEPRJQHA-XUWVNRHRSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040808 766109985 /nfs/dbraw/zinc/10/99/85/766109985.db2.gz BILZSCYEPRJQHA-XUWVNRHRSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001028122111 766112074 /nfs/dbraw/zinc/11/20/74/766112074.db2.gz DRBJTVUXPYUHNZ-MGPQQGTHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001028122111 766112076 /nfs/dbraw/zinc/11/20/76/766112076.db2.gz DRBJTVUXPYUHNZ-MGPQQGTHSA-N 1 2 354.828 3.401 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)c2Cl)C1 ZINC001031988327 766190387 /nfs/dbraw/zinc/19/03/87/766190387.db2.gz UYNDZKJOCIFHKO-ZBFHGGJFSA-N 1 2 369.292 3.133 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1Cl ZINC001038267310 766270868 /nfs/dbraw/zinc/27/08/68/766270868.db2.gz RYBUJTRYPBCJOX-LMMKCTJWSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001038267310 766270873 /nfs/dbraw/zinc/27/08/73/766270873.db2.gz RYBUJTRYPBCJOX-LMMKCTJWSA-N 1 2 362.901 3.320 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001046632448 766597418 /nfs/dbraw/zinc/59/74/18/766597418.db2.gz YKKUQLNLUOZYCA-AYBZRNKSSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001046632448 766597421 /nfs/dbraw/zinc/59/74/21/766597421.db2.gz YKKUQLNLUOZYCA-AYBZRNKSSA-N 1 2 366.864 3.151 20 30 FGEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000021674467 220363786 /nfs/dbraw/zinc/36/37/86/220363786.db2.gz PXMMRKYUDUJUAC-FQEVSTJZSA-N 1 2 366.421 3.260 20 30 FGEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Br)c1 ZINC000270497507 257373493 /nfs/dbraw/zinc/37/34/93/257373493.db2.gz MALQSESTQVQHMD-UHFFFAOYSA-N 1 2 373.254 3.164 20 30 FGEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022772618 257334429 /nfs/dbraw/zinc/33/44/29/257334429.db2.gz DJOADHHBGLGPDJ-QPGLYAHGSA-N 1 2 374.488 3.216 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn2ccccc12 ZINC000110297846 132246445 /nfs/dbraw/zinc/24/64/45/132246445.db2.gz DKTPTFNVCDZGMP-UHFFFAOYSA-N 1 2 359.408 3.144 20 30 FGEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000057364286 132303876 /nfs/dbraw/zinc/30/38/76/132303876.db2.gz FLMWWPJVEKOMNL-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000567995214 505592759 /nfs/dbraw/zinc/59/27/59/505592759.db2.gz DYPDUJVNGWLWEE-FQEVSTJZSA-N 1 2 366.396 3.208 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000567995215 505592920 /nfs/dbraw/zinc/59/29/20/505592920.db2.gz DYPDUJVNGWLWEE-HXUWFJFHSA-N 1 2 366.396 3.208 20 30 FGEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989426 505591496 /nfs/dbraw/zinc/59/14/96/505591496.db2.gz FZQSWPDAUGOEJZ-SHZVTRLKSA-N 1 2 357.435 3.397 20 30 FGEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989426 505591497 /nfs/dbraw/zinc/59/14/97/505591497.db2.gz FZQSWPDAUGOEJZ-SHZVTRLKSA-N 1 2 357.435 3.397 20 30 FGEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000573737467 505607988 /nfs/dbraw/zinc/60/79/88/505607988.db2.gz QJSPMYXNSPDIBP-UFYCRDLUSA-N 1 2 373.460 3.175 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000573806313 505625743 /nfs/dbraw/zinc/62/57/43/505625743.db2.gz BLVIYVMRPGNAGK-GOSISDBHSA-N 1 2 364.877 3.020 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000048021491 493775240 /nfs/dbraw/zinc/77/52/40/493775240.db2.gz YQSBWZRPALBDKS-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO COc1cc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cc(OC)c1OC ZINC000068274255 493789039 /nfs/dbraw/zinc/78/90/39/493789039.db2.gz MDFMEYVVJACQTE-SNAWJCMRSA-N 1 2 370.327 3.367 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000080907876 493789250 /nfs/dbraw/zinc/78/92/50/493789250.db2.gz DGCOFZXXIIAEPL-JOCHJYFZSA-N 1 2 371.488 3.314 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000048247167 493807071 /nfs/dbraw/zinc/80/70/71/493807071.db2.gz JYFHCIXJYZPMRW-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000029446964 493839524 /nfs/dbraw/zinc/83/95/24/493839524.db2.gz DQSAVWDCNIBQAT-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214359 493879907 /nfs/dbraw/zinc/87/99/07/493879907.db2.gz LZGVPMCSKURYQS-LLVKDONJSA-N 1 2 362.227 3.373 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214359 493879908 /nfs/dbraw/zinc/87/99/08/493879908.db2.gz LZGVPMCSKURYQS-LLVKDONJSA-N 1 2 362.227 3.373 20 30 FGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000081513275 493907666 /nfs/dbraw/zinc/90/76/66/493907666.db2.gz KKVZIBGAHJCPDZ-CYBMUJFWSA-N 1 2 363.508 3.098 20 30 FGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000081513275 493907669 /nfs/dbraw/zinc/90/76/69/493907669.db2.gz KKVZIBGAHJCPDZ-CYBMUJFWSA-N 1 2 363.508 3.098 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000083138832 493999826 /nfs/dbraw/zinc/99/98/26/493999826.db2.gz LOGMWZAZCKWBIZ-SFTDATJTSA-N 1 2 364.445 3.218 20 30 FGEDLO C=CC[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297920 494041257 /nfs/dbraw/zinc/04/12/57/494041257.db2.gz IMJCLJXANLQIFS-UHFFFAOYSA-N 1 2 371.412 3.081 20 30 FGEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297920 494041259 /nfs/dbraw/zinc/04/12/59/494041259.db2.gz IMJCLJXANLQIFS-UHFFFAOYSA-N 1 2 371.412 3.081 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccc(C#N)c1 ZINC000063299776 494041414 /nfs/dbraw/zinc/04/14/14/494041414.db2.gz OZGFONZENXYXAC-UHFFFAOYSA-N 1 2 353.388 3.346 20 30 FGEDLO C=CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccc(C#N)c1 ZINC000063299776 494041417 /nfs/dbraw/zinc/04/14/17/494041417.db2.gz OZGFONZENXYXAC-UHFFFAOYSA-N 1 2 353.388 3.346 20 30 FGEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cscn1 ZINC000063590347 494067763 /nfs/dbraw/zinc/06/77/63/494067763.db2.gz SUMYLEVZZJSXBF-UHFFFAOYSA-N 1 2 360.508 3.416 20 30 FGEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cscn1 ZINC000063590347 494067767 /nfs/dbraw/zinc/06/77/67/494067767.db2.gz SUMYLEVZZJSXBF-UHFFFAOYSA-N 1 2 360.508 3.416 20 30 FGEDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cn1 ZINC000571295455 505701109 /nfs/dbraw/zinc/70/11/09/505701109.db2.gz YLCKJAWWUKWHBC-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cn1 ZINC000571295455 505701112 /nfs/dbraw/zinc/70/11/12/505701112.db2.gz YLCKJAWWUKWHBC-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000064483373 494127950 /nfs/dbraw/zinc/12/79/50/494127950.db2.gz SEVMUMSGEQHHGI-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000064483373 494127954 /nfs/dbraw/zinc/12/79/54/494127954.db2.gz SEVMUMSGEQHHGI-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000577288731 505701412 /nfs/dbraw/zinc/70/14/12/505701412.db2.gz JWZBXPUXMWPDPI-KBAYOESNSA-N 1 2 364.449 3.260 20 30 FGEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCCC1 ZINC000577339434 505707901 /nfs/dbraw/zinc/70/79/01/505707901.db2.gz OBFHVJHSLUAWNZ-UHFFFAOYSA-N 1 2 370.493 3.239 20 30 FGEDLO CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000072724596 494241450 /nfs/dbraw/zinc/24/14/50/494241450.db2.gz RIQJKPQAQJVJKW-OAHLLOKOSA-N 1 2 361.511 3.114 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2nccn2C)c1 ZINC000073123667 494324614 /nfs/dbraw/zinc/32/46/14/494324614.db2.gz ARWXMVBKZCDHQQ-FQEVSTJZSA-N 1 2 362.433 3.188 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 ZINC000017843596 494418538 /nfs/dbraw/zinc/41/85/38/494418538.db2.gz GAUWULBNHDBHST-UHFFFAOYSA-N 1 2 370.456 3.307 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000045808424 494464877 /nfs/dbraw/zinc/46/48/77/494464877.db2.gz JDBVWPLTAKJVNS-KRWDZBQOSA-N 1 2 373.460 3.487 20 30 FGEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023253010 494558436 /nfs/dbraw/zinc/55/84/36/494558436.db2.gz YHUAMNZNNYJGFJ-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO CCc1nnc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C#N)c1CC ZINC000121182792 494634842 /nfs/dbraw/zinc/63/48/42/494634842.db2.gz TVWLOIXHYGCKES-KRWDZBQOSA-N 1 2 371.510 3.020 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000108360721 494688307 /nfs/dbraw/zinc/68/83/07/494688307.db2.gz XUQAEWOBVORWFS-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000108360721 494688314 /nfs/dbraw/zinc/68/83/14/494688314.db2.gz XUQAEWOBVORWFS-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO CCc1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000092704411 494716568 /nfs/dbraw/zinc/71/65/68/494716568.db2.gz WSLPRCHMEVYRDS-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H](C#N)c1ccccc1Cl)C(F)(F)F ZINC000571462453 505739031 /nfs/dbraw/zinc/73/90/31/505739031.db2.gz PNSAZJVMSXQYPU-AAEUAGOBSA-N 1 2 370.762 3.491 20 30 FGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000131924642 494774805 /nfs/dbraw/zinc/77/48/05/494774805.db2.gz XXFJTUXKODBLCD-HNNXBMFYSA-N 1 2 367.453 3.049 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000025946793 494792248 /nfs/dbraw/zinc/79/22/48/494792248.db2.gz OZPMEMDURXKVPD-OAQYLSRUSA-N 1 2 373.456 3.258 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1cccs1 ZINC000075593243 494800636 /nfs/dbraw/zinc/80/06/36/494800636.db2.gz TWZHAWQXHFPTMU-UHFFFAOYSA-N 1 2 351.493 3.219 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1cccs1 ZINC000075593243 494800638 /nfs/dbraw/zinc/80/06/38/494800638.db2.gz TWZHAWQXHFPTMU-UHFFFAOYSA-N 1 2 351.493 3.219 20 30 FGEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000075623462 494804171 /nfs/dbraw/zinc/80/41/71/494804171.db2.gz BFLRYRXWQDOFGK-UHFFFAOYSA-N 1 2 362.389 3.359 20 30 FGEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000075623462 494804176 /nfs/dbraw/zinc/80/41/76/494804176.db2.gz BFLRYRXWQDOFGK-UHFFFAOYSA-N 1 2 362.389 3.359 20 30 FGEDLO C=CCNC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000126732487 494828484 /nfs/dbraw/zinc/82/84/84/494828484.db2.gz LXGBMOWFEJDNRI-LLVKDONJSA-N 1 2 373.869 3.252 20 30 FGEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000132350424 494860849 /nfs/dbraw/zinc/86/08/49/494860849.db2.gz ZUNAIABPDPEFBL-OAHLLOKOSA-N 1 2 370.428 3.058 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000132438857 494873964 /nfs/dbraw/zinc/87/39/64/494873964.db2.gz BPLWWSAYHLNECY-SFHVURJKSA-N 1 2 350.466 3.466 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2cccnc2)c1 ZINC000132438857 494873969 /nfs/dbraw/zinc/87/39/69/494873969.db2.gz BPLWWSAYHLNECY-SFHVURJKSA-N 1 2 350.466 3.466 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995151 494880642 /nfs/dbraw/zinc/88/06/42/494880642.db2.gz IQYXQXOVMJLALY-RBUKOAKNSA-N 1 2 357.450 3.130 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116995151 494880646 /nfs/dbraw/zinc/88/06/46/494880646.db2.gz IQYXQXOVMJLALY-RBUKOAKNSA-N 1 2 357.450 3.130 20 30 FGEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)cs1 ZINC000093737005 494915842 /nfs/dbraw/zinc/91/58/42/494915842.db2.gz KOQSCHMOCWBDMJ-AWEZNQCLSA-N 1 2 360.483 3.023 20 30 FGEDLO Cc1ccc(C#N)c(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000127625714 494972308 /nfs/dbraw/zinc/97/23/08/494972308.db2.gz VXMDDJBSCPENDJ-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO N#Cc1cccc(OCCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000127784984 494997105 /nfs/dbraw/zinc/99/71/05/494997105.db2.gz WAVZDXLSULRQJC-UHFFFAOYSA-N 1 2 351.450 3.271 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)c1C#N ZINC000122704018 495019223 /nfs/dbraw/zinc/01/92/23/495019223.db2.gz IFEXOJLZTPKKOI-KRWDZBQOSA-N 1 2 372.513 3.125 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](CO)C2)c1C#N ZINC000122704018 495019227 /nfs/dbraw/zinc/01/92/27/495019227.db2.gz IFEXOJLZTPKKOI-KRWDZBQOSA-N 1 2 372.513 3.125 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)s1 ZINC000128650420 495130428 /nfs/dbraw/zinc/13/04/28/495130428.db2.gz GYJGRPGYEMCWAU-UHFFFAOYSA-N 1 2 367.518 3.459 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000102846454 495166349 /nfs/dbraw/zinc/16/63/49/495166349.db2.gz IROPMJJFTXAGAD-QGZVFWFLSA-N 1 2 367.453 3.026 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000102846454 495166351 /nfs/dbraw/zinc/16/63/51/495166351.db2.gz IROPMJJFTXAGAD-QGZVFWFLSA-N 1 2 367.453 3.026 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CSc1ccc(C#N)cc1)C2 ZINC000112664741 495219898 /nfs/dbraw/zinc/21/98/98/495219898.db2.gz XEDNQCAEJAYPNI-UHFFFAOYSA-N 1 2 354.479 3.092 20 30 FGEDLO COCC[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000124225957 495253828 /nfs/dbraw/zinc/25/38/28/495253828.db2.gz VAWLBFSFKXFFQP-UHFFFAOYSA-N 1 2 356.495 3.262 20 30 FGEDLO COCC[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(C#N)cc1 ZINC000124225957 495253830 /nfs/dbraw/zinc/25/38/30/495253830.db2.gz VAWLBFSFKXFFQP-UHFFFAOYSA-N 1 2 356.495 3.262 20 30 FGEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124636181 495320334 /nfs/dbraw/zinc/32/03/34/495320334.db2.gz DPWXALLUHDILEB-UHFFFAOYSA-N 1 2 371.510 3.083 20 30 FGEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124636181 495320336 /nfs/dbraw/zinc/32/03/36/495320336.db2.gz DPWXALLUHDILEB-UHFFFAOYSA-N 1 2 371.510 3.083 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120458447 495383694 /nfs/dbraw/zinc/38/36/94/495383694.db2.gz UWPHNKVJIWNEBF-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000120458447 495383698 /nfs/dbraw/zinc/38/36/98/495383698.db2.gz UWPHNKVJIWNEBF-CQSZACIVSA-N 1 2 358.463 3.163 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000105986378 495399938 /nfs/dbraw/zinc/39/99/38/495399938.db2.gz PYGZUIVBWMUTPH-KRWDZBQOSA-N 1 2 374.529 3.317 20 30 FGEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C ZINC000125232243 495410028 /nfs/dbraw/zinc/41/00/28/495410028.db2.gz HFJHHYAQTOUIOH-AEFFLSMTSA-N 1 2 367.449 3.318 20 30 FGEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731461 495418840 /nfs/dbraw/zinc/41/88/40/495418840.db2.gz MFGXSSIXVVJAEK-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731461 495418845 /nfs/dbraw/zinc/41/88/45/495418845.db2.gz MFGXSSIXVVJAEK-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C)o1 ZINC000125384886 495436345 /nfs/dbraw/zinc/43/63/45/495436345.db2.gz ODDWWYPRHSBUMT-UHFFFAOYSA-N 1 2 361.829 3.200 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C)o1 ZINC000125384886 495436348 /nfs/dbraw/zinc/43/63/48/495436348.db2.gz ODDWWYPRHSBUMT-UHFFFAOYSA-N 1 2 361.829 3.200 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000106373343 495450521 /nfs/dbraw/zinc/45/05/21/495450521.db2.gz KDMSOCKZFROXIT-UHFFFAOYSA-N 1 2 371.872 3.065 20 30 FGEDLO C=C(C)COc1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)ccc1OC ZINC000130894751 495462570 /nfs/dbraw/zinc/46/25/70/495462570.db2.gz YBKDIQYYTKLYJC-IBGZPJMESA-N 1 2 358.413 3.105 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000140444011 495496030 /nfs/dbraw/zinc/49/60/30/495496030.db2.gz UUBQUTDZOLQXDF-KRWDZBQOSA-N 1 2 367.493 3.312 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000131236918 495511257 /nfs/dbraw/zinc/51/12/57/495511257.db2.gz VIZTTWKTNZDTKT-ZDUSSCGKSA-N 1 2 373.378 3.495 20 30 FGEDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OCC ZINC000115595236 495520450 /nfs/dbraw/zinc/52/04/50/495520450.db2.gz UCTJQENEJFROGW-JLTOFOAXSA-N 1 2 367.449 3.233 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000176213772 495549424 /nfs/dbraw/zinc/54/94/24/495549424.db2.gz RPQZKPARLPOASF-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000176213772 495549432 /nfs/dbraw/zinc/54/94/32/495549432.db2.gz RPQZKPARLPOASF-LJQANCHMSA-N 1 2 358.438 3.308 20 30 FGEDLO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cn1cc[nH+]c1 ZINC000176396840 495636688 /nfs/dbraw/zinc/63/66/88/495636688.db2.gz ZKNLLLVWWNSKCU-KRWDZBQOSA-N 1 2 374.444 3.400 20 30 FGEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000154824992 495738487 /nfs/dbraw/zinc/73/84/87/495738487.db2.gz PJCGRNNGLSJIFC-UHFFFAOYSA-N 1 2 364.405 3.089 20 30 FGEDLO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000185937789 495789369 /nfs/dbraw/zinc/78/93/69/495789369.db2.gz ZZRIPYJDRABMDP-HZMBPMFUSA-N 1 2 362.421 3.257 20 30 FGEDLO N#CCC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000151423523 495835549 /nfs/dbraw/zinc/83/55/49/495835549.db2.gz FNUXMGMOHLTJGN-RTBURBONSA-N 1 2 350.422 3.289 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000180067048 495842302 /nfs/dbraw/zinc/84/23/02/495842302.db2.gz VSBOUOUVAMMZKC-ZOBUZTSGSA-N 1 2 353.426 3.289 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000155286670 495905436 /nfs/dbraw/zinc/90/54/36/495905436.db2.gz IQPWMAJYZCDBIJ-HXUWFJFHSA-N 1 2 363.461 3.230 20 30 FGEDLO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000151714681 495926990 /nfs/dbraw/zinc/92/69/90/495926990.db2.gz WUSHFGKKNLGLIF-FOIQADDNSA-N 1 2 351.450 3.360 20 30 FGEDLO N#CCCCOc1cccnc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000186446034 496002556 /nfs/dbraw/zinc/00/25/56/496002556.db2.gz KYCORWUBVCIYKK-CQSZACIVSA-N 1 2 354.414 3.246 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000186591083 496060896 /nfs/dbraw/zinc/06/08/96/496060896.db2.gz KABVYWFHCXZNSZ-UHFFFAOYSA-N 1 2 358.810 3.198 20 30 FGEDLO COc1cc(NC(=O)C[N@H+](C)CC#Cc2ccc(Cl)cc2)cc(OC)c1 ZINC000177460327 496069885 /nfs/dbraw/zinc/06/98/85/496069885.db2.gz RQPQEVXYQPSYOW-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO COc1cc(NC(=O)C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc(OC)c1 ZINC000177460327 496069893 /nfs/dbraw/zinc/06/98/93/496069893.db2.gz RQPQEVXYQPSYOW-UHFFFAOYSA-N 1 2 372.852 3.279 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(Br)cn2)CC1 ZINC000171959615 496109287 /nfs/dbraw/zinc/10/92/87/496109287.db2.gz NPNMTGWXSVQKOL-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(Br)cn2)CC1 ZINC000171959615 496109291 /nfs/dbraw/zinc/10/92/91/496109291.db2.gz NPNMTGWXSVQKOL-UHFFFAOYSA-N 1 2 371.282 3.428 20 30 FGEDLO CC[C@H](CC#N)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000183858614 496139566 /nfs/dbraw/zinc/13/95/66/496139566.db2.gz VHLLSMPVENYOJE-HZPDHXFCSA-N 1 2 364.287 3.394 20 30 FGEDLO N#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1F ZINC000161381759 496165355 /nfs/dbraw/zinc/16/53/55/496165355.db2.gz XVELTYFNFFYQTR-RBUKOAKNSA-N 1 2 369.465 3.297 20 30 FGEDLO Cc1cccn2cc(COc3ccccc3C(=O)N[C@H](C#N)C3CC3)[nH+]c12 ZINC000161650178 496214101 /nfs/dbraw/zinc/21/41/01/496214101.db2.gz SGGQOVAIYPLJLP-GOSISDBHSA-N 1 2 360.417 3.254 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926259 496254299 /nfs/dbraw/zinc/25/42/99/496254299.db2.gz DUXYBSCAVCGSIC-UHFFFAOYSA-N 1 2 369.494 3.355 20 30 FGEDLO CCCCc1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926259 496254303 /nfs/dbraw/zinc/25/43/03/496254303.db2.gz DUXYBSCAVCGSIC-UHFFFAOYSA-N 1 2 369.494 3.355 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1C#N)c1c(F)cccc1F ZINC000177930309 496256354 /nfs/dbraw/zinc/25/63/54/496256354.db2.gz SIHHDMJULJUSHF-MRXNPFEDSA-N 1 2 362.355 3.400 20 30 FGEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000156527065 496269051 /nfs/dbraw/zinc/26/90/51/496269051.db2.gz YPRLXODIARDEAC-GOSISDBHSA-N 1 2 358.392 3.074 20 30 FGEDLO C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000156541563 496273331 /nfs/dbraw/zinc/27/33/31/496273331.db2.gz JXWODXIDTMGISU-IBGZPJMESA-N 1 2 373.497 3.360 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175169061 496275659 /nfs/dbraw/zinc/27/56/59/496275659.db2.gz LYOFYTQZJLJDIN-FQEVSTJZSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175169061 496275667 /nfs/dbraw/zinc/27/56/67/496275667.db2.gz LYOFYTQZJLJDIN-FQEVSTJZSA-N 1 2 351.425 3.482 20 30 FGEDLO N#Cc1ccsc1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000181136423 496283134 /nfs/dbraw/zinc/28/31/34/496283134.db2.gz CKZWNPCSTBCCEG-UHFFFAOYSA-N 1 2 362.458 3.257 20 30 FGEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000181162167 496292488 /nfs/dbraw/zinc/29/24/88/496292488.db2.gz MSYGLYSDYHUNFT-FQEVSTJZSA-N 1 2 372.852 3.092 20 30 FGEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1F ZINC000178330675 496414649 /nfs/dbraw/zinc/41/46/49/496414649.db2.gz KHLJRIPBPJDOBX-UHFFFAOYSA-N 1 2 356.376 3.186 20 30 FGEDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000175501753 496416905 /nfs/dbraw/zinc/41/69/05/496416905.db2.gz HEQZEZHCPYUCTC-CYBMUJFWSA-N 1 2 364.405 3.476 20 30 FGEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccco1 ZINC000184571316 496445330 /nfs/dbraw/zinc/44/53/30/496445330.db2.gz VOAIZMCFGGQWAA-INIZCTEOSA-N 1 2 361.829 3.157 20 30 FGEDLO CC(C)Oc1cc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccn1 ZINC000163131547 496470443 /nfs/dbraw/zinc/47/04/43/496470443.db2.gz WUKVZTAODWCSEW-UHFFFAOYSA-N 1 2 364.449 3.344 20 30 FGEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccn1 ZINC000163131547 496470450 /nfs/dbraw/zinc/47/04/50/496470450.db2.gz WUKVZTAODWCSEW-UHFFFAOYSA-N 1 2 364.449 3.344 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)C(CC)(CC)C2)cc1OC ZINC000187562645 496491573 /nfs/dbraw/zinc/49/15/73/496491573.db2.gz FVHGSSWTSRDPFN-DEOSSOPVSA-N 1 2 351.512 3.383 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)C(CC)(CC)C2)cc1OC ZINC000187562645 496491578 /nfs/dbraw/zinc/49/15/78/496491578.db2.gz FVHGSSWTSRDPFN-DEOSSOPVSA-N 1 2 351.512 3.383 20 30 FGEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178569545 496502313 /nfs/dbraw/zinc/50/23/13/496502313.db2.gz CMPFQTSFXHGAAW-UHFFFAOYSA-N 1 2 352.413 3.356 20 30 FGEDLO N#Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000157709541 496535225 /nfs/dbraw/zinc/53/52/25/496535225.db2.gz FYGWDQQUBKXHQW-IBGZPJMESA-N 1 2 370.384 3.091 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000158345393 496681603 /nfs/dbraw/zinc/68/16/03/496681603.db2.gz ZNURQDQXNAAJFU-UHFFFAOYSA-N 1 2 353.426 3.024 20 30 FGEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000185246651 496716357 /nfs/dbraw/zinc/71/63/57/496716357.db2.gz DGMCUQDWYQKWDJ-RHSMWYFYSA-N 1 2 370.453 3.079 20 30 FGEDLO N#Cc1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000277723391 496866831 /nfs/dbraw/zinc/86/68/31/496866831.db2.gz TXTSHUFVCWCGOA-UHFFFAOYSA-N 1 2 355.825 3.296 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418414 496896210 /nfs/dbraw/zinc/89/62/10/496896210.db2.gz LLIRNNXCTWHKTA-KBXCAEBGSA-N 1 2 372.428 3.131 20 30 FGEDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264418414 496896216 /nfs/dbraw/zinc/89/62/16/496896216.db2.gz LLIRNNXCTWHKTA-KBXCAEBGSA-N 1 2 372.428 3.131 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188927799 496950685 /nfs/dbraw/zinc/95/06/85/496950685.db2.gz BPOMWOYQEQTUCI-UHFFFAOYSA-N 1 2 361.424 3.205 20 30 FGEDLO C=CCc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc(OC)c1OC ZINC000273903004 496952609 /nfs/dbraw/zinc/95/26/09/496952609.db2.gz PJPAGUHERYKGMF-KRWDZBQOSA-N 1 2 371.437 3.018 20 30 FGEDLO C=CCc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc(OC)c1OC ZINC000273903004 496952614 /nfs/dbraw/zinc/95/26/14/496952614.db2.gz PJPAGUHERYKGMF-KRWDZBQOSA-N 1 2 371.437 3.018 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000192257379 497050706 /nfs/dbraw/zinc/05/07/06/497050706.db2.gz YKDIRFJTHOTFDE-INIZCTEOSA-N 1 2 354.454 3.023 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000189410137 497109844 /nfs/dbraw/zinc/10/98/44/497109844.db2.gz RLPLQPHXQNCBKD-ZDUSSCGKSA-N 1 2 373.378 3.370 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000189410137 497109851 /nfs/dbraw/zinc/10/98/51/497109851.db2.gz RLPLQPHXQNCBKD-ZDUSSCGKSA-N 1 2 373.378 3.370 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3ccn(CCC#N)n3)n2)C1 ZINC000265451540 497122707 /nfs/dbraw/zinc/12/27/07/497122707.db2.gz WRNFMTRICLVFEE-ZDUSSCGKSA-N 1 2 373.486 3.129 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3ccn(CCC#N)n3)n2)C1 ZINC000265451540 497122713 /nfs/dbraw/zinc/12/27/13/497122713.db2.gz WRNFMTRICLVFEE-ZDUSSCGKSA-N 1 2 373.486 3.129 20 30 FGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000192549727 497146817 /nfs/dbraw/zinc/14/68/17/497146817.db2.gz LBUVCPXGONLXRQ-UHFFFAOYSA-N 1 2 363.454 3.296 20 30 FGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000192549727 497146823 /nfs/dbraw/zinc/14/68/23/497146823.db2.gz LBUVCPXGONLXRQ-UHFFFAOYSA-N 1 2 363.454 3.296 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c(F)c1 ZINC000569253570 505889741 /nfs/dbraw/zinc/88/97/41/505889741.db2.gz UVFRSSUFRGLBAP-UHFFFAOYSA-N 1 2 367.428 3.357 20 30 FGEDLO N#Cc1ccc(OC2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c(F)c1 ZINC000569253570 505889747 /nfs/dbraw/zinc/88/97/47/505889747.db2.gz UVFRSSUFRGLBAP-UHFFFAOYSA-N 1 2 367.428 3.357 20 30 FGEDLO C=CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265805413 497185603 /nfs/dbraw/zinc/18/56/03/497185603.db2.gz OVOXSJCIWAQVFD-MRXNPFEDSA-N 1 2 352.438 3.190 20 30 FGEDLO C=CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265805413 497185609 /nfs/dbraw/zinc/18/56/09/497185609.db2.gz OVOXSJCIWAQVFD-MRXNPFEDSA-N 1 2 352.438 3.190 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000249898566 497257288 /nfs/dbraw/zinc/25/72/88/497257288.db2.gz SGORPLFIHFWNPA-HUUCEWRRSA-N 1 2 351.878 3.047 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000249898566 497257292 /nfs/dbraw/zinc/25/72/92/497257292.db2.gz SGORPLFIHFWNPA-HUUCEWRRSA-N 1 2 351.878 3.047 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278945359 497276146 /nfs/dbraw/zinc/27/61/46/497276146.db2.gz NYZRQQCURYMUEQ-SSDOTTSWSA-N 1 2 360.386 3.384 20 30 FGEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H]1C ZINC000252061260 497295813 /nfs/dbraw/zinc/29/58/13/497295813.db2.gz ZXCBQTWJDIGNIV-ZMSDIMECSA-N 1 2 361.511 3.376 20 30 FGEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[C@@H]1C ZINC000252061260 497295817 /nfs/dbraw/zinc/29/58/17/497295817.db2.gz ZXCBQTWJDIGNIV-ZMSDIMECSA-N 1 2 361.511 3.376 20 30 FGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-])CCCC2 ZINC000275501796 497345518 /nfs/dbraw/zinc/34/55/18/497345518.db2.gz CLRBGFFLYIQURS-KRWDZBQOSA-N 1 2 351.410 3.420 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000279347833 497414583 /nfs/dbraw/zinc/41/45/83/497414583.db2.gz FABQFHLERUYVQQ-UHFFFAOYSA-N 1 2 353.397 3.090 20 30 FGEDLO CO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000266982948 497461913 /nfs/dbraw/zinc/46/19/13/497461913.db2.gz BCIUFIVRXJRMHY-HNNXBMFYSA-N 1 2 356.495 3.040 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000572184044 505909539 /nfs/dbraw/zinc/90/95/39/505909539.db2.gz VBDGXXWYLQIRIW-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000572184044 505909544 /nfs/dbraw/zinc/90/95/44/505909544.db2.gz VBDGXXWYLQIRIW-HNNXBMFYSA-N 1 2 358.492 3.133 20 30 FGEDLO CC[N@H+](CCCNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC000272013113 497511742 /nfs/dbraw/zinc/51/17/42/497511742.db2.gz AZLAXGZHEOXLOF-UHFFFAOYSA-N 1 2 354.458 3.143 20 30 FGEDLO CC[N@@H+](CCCNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1 ZINC000272013113 497511746 /nfs/dbraw/zinc/51/17/46/497511746.db2.gz AZLAXGZHEOXLOF-UHFFFAOYSA-N 1 2 354.458 3.143 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC2(CCOCC2)O1 ZINC000279770775 497535892 /nfs/dbraw/zinc/53/58/92/497535892.db2.gz NBBKKLYQXJEOTL-ZDUSSCGKSA-N 1 2 365.271 3.091 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC2(CCOCC2)O1 ZINC000279770775 497535895 /nfs/dbraw/zinc/53/58/95/497535895.db2.gz NBBKKLYQXJEOTL-ZDUSSCGKSA-N 1 2 365.271 3.091 20 30 FGEDLO Cc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccn2)cc1 ZINC000280192039 497677164 /nfs/dbraw/zinc/67/71/64/497677164.db2.gz UDKSNHDPMQDOBF-SFTDATJTSA-N 1 2 350.466 3.124 20 30 FGEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000191078732 497702403 /nfs/dbraw/zinc/70/24/03/497702403.db2.gz NLMJEYMZCFQLRM-UHFFFAOYSA-N 1 2 367.421 3.161 20 30 FGEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000191078732 497702404 /nfs/dbraw/zinc/70/24/04/497702404.db2.gz NLMJEYMZCFQLRM-UHFFFAOYSA-N 1 2 367.421 3.161 20 30 FGEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000268304796 497723361 /nfs/dbraw/zinc/72/33/61/497723361.db2.gz XVTBXIRKCNTGQB-CYBMUJFWSA-N 1 2 353.451 3.035 20 30 FGEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000268304796 497723368 /nfs/dbraw/zinc/72/33/68/497723368.db2.gz XVTBXIRKCNTGQB-CYBMUJFWSA-N 1 2 353.451 3.035 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000191148097 497724386 /nfs/dbraw/zinc/72/43/86/497724386.db2.gz WBAGENGCDIJXFF-UHFFFAOYSA-N 1 2 359.495 3.267 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000191148097 497724389 /nfs/dbraw/zinc/72/43/89/497724389.db2.gz WBAGENGCDIJXFF-UHFFFAOYSA-N 1 2 359.495 3.267 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000246428578 497732019 /nfs/dbraw/zinc/73/20/19/497732019.db2.gz ILGMLSLIVDSRQE-SQNIBIBYSA-N 1 2 369.383 3.205 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000246428578 497732021 /nfs/dbraw/zinc/73/20/21/497732021.db2.gz ILGMLSLIVDSRQE-SQNIBIBYSA-N 1 2 369.383 3.205 20 30 FGEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000246600596 497785415 /nfs/dbraw/zinc/78/54/15/497785415.db2.gz KDVVKWTWBFTUCK-HMXCVIKNSA-N 1 2 368.525 3.048 20 30 FGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329683130 497867786 /nfs/dbraw/zinc/86/77/86/497867786.db2.gz YZGOPUUDTQDGNV-HUUCEWRRSA-N 1 2 373.453 3.309 20 30 FGEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329683130 497867792 /nfs/dbraw/zinc/86/77/92/497867792.db2.gz YZGOPUUDTQDGNV-HUUCEWRRSA-N 1 2 373.453 3.309 20 30 FGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753204 497889454 /nfs/dbraw/zinc/88/94/54/497889454.db2.gz WQFKAISRYBWWTH-VBHSOAQHSA-N 1 2 374.872 3.296 20 30 FGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753204 497889460 /nfs/dbraw/zinc/88/94/60/497889460.db2.gz WQFKAISRYBWWTH-VBHSOAQHSA-N 1 2 374.872 3.296 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@H]1CCCCS1 ZINC000329765296 497893126 /nfs/dbraw/zinc/89/31/26/497893126.db2.gz WVCQOYHUKAEDLZ-LLVKDONJSA-N 1 2 350.410 3.077 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@@H]1CCCCS1 ZINC000329765297 497893184 /nfs/dbraw/zinc/89/31/84/497893184.db2.gz WVCQOYHUKAEDLZ-NSHDSACASA-N 1 2 350.410 3.077 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCC1(c3ccccc3)CCCC1)CCO2 ZINC000329913785 497950799 /nfs/dbraw/zinc/95/07/99/497950799.db2.gz OVJGHJLHDJNRLO-AVRDEDQJSA-N 1 2 372.509 3.335 20 30 FGEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCC1(c3ccccc3)CCCC1)CCO2 ZINC000329913785 497950806 /nfs/dbraw/zinc/95/08/06/497950806.db2.gz OVJGHJLHDJNRLO-AVRDEDQJSA-N 1 2 372.509 3.335 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329933917 497959465 /nfs/dbraw/zinc/95/94/65/497959465.db2.gz JLVSBMHSJUEKLE-AEFFLSMTSA-N 1 2 355.486 3.382 20 30 FGEDLO C#CCSCCNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280952016 497963298 /nfs/dbraw/zinc/96/32/98/497963298.db2.gz RSPRDLJWQLDVSY-UHFFFAOYSA-N 1 2 356.495 3.058 20 30 FGEDLO CN1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946143 497965670 /nfs/dbraw/zinc/96/56/70/497965670.db2.gz JLUPKLLTLSJKDO-HZPDHXFCSA-N 1 2 366.412 3.329 20 30 FGEDLO CN1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946143 497965674 /nfs/dbraw/zinc/96/56/74/497965674.db2.gz JLUPKLLTLSJKDO-HZPDHXFCSA-N 1 2 366.412 3.329 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccccn12 ZINC000301142699 497970336 /nfs/dbraw/zinc/97/03/36/497970336.db2.gz CWEAJAHVAXDRQP-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO COc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000301151744 497973340 /nfs/dbraw/zinc/97/33/40/497973340.db2.gz PDZYCVJWUPJXJQ-SFHVURJKSA-N 1 2 372.856 3.101 20 30 FGEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330062642 498007827 /nfs/dbraw/zinc/00/78/27/498007827.db2.gz AXIMDLQYEJVLIZ-HBFSDRIKSA-N 1 2 362.445 3.256 20 30 FGEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330062642 498007831 /nfs/dbraw/zinc/00/78/31/498007831.db2.gz AXIMDLQYEJVLIZ-HBFSDRIKSA-N 1 2 362.445 3.256 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330101448 498021559 /nfs/dbraw/zinc/02/15/59/498021559.db2.gz FEWXKKQQFCZOTR-YVHKJVDXSA-N 1 2 372.509 3.463 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330101448 498021571 /nfs/dbraw/zinc/02/15/71/498021571.db2.gz FEWXKKQQFCZOTR-YVHKJVDXSA-N 1 2 372.509 3.463 20 30 FGEDLO O=C(N[C@H]1CCCc2c[nH]nc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000330130407 498032404 /nfs/dbraw/zinc/03/24/04/498032404.db2.gz OZLFTSWQHMQKJP-MEQKGCOVSA-N 1 2 365.481 3.032 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000330223011 498067506 /nfs/dbraw/zinc/06/75/06/498067506.db2.gz ABVVLDUXPVFROK-AABGKKOBSA-N 1 2 368.481 3.490 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000296520250 498077655 /nfs/dbraw/zinc/07/76/55/498077655.db2.gz OUQJKOAZLNEDAL-MZTNWIODSA-N 1 2 362.424 3.092 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000296520250 498077661 /nfs/dbraw/zinc/07/76/61/498077661.db2.gz OUQJKOAZLNEDAL-MZTNWIODSA-N 1 2 362.424 3.092 20 30 FGEDLO Cc1ccc([C@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCOCC2)o1 ZINC000301377121 498081674 /nfs/dbraw/zinc/08/16/74/498081674.db2.gz XZJJMLWHDGNGKM-FQEVSTJZSA-N 1 2 362.433 3.493 20 30 FGEDLO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281333781 498110309 /nfs/dbraw/zinc/11/03/09/498110309.db2.gz VZFKGLXNPLSQLU-IBGZPJMESA-N 1 2 371.481 3.117 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296591934 498112301 /nfs/dbraw/zinc/11/23/01/498112301.db2.gz JBJNUIFLDDQLQT-QGZVFWFLSA-N 1 2 354.454 3.278 20 30 FGEDLO Cc1cc(NC(=O)c2cc3n(n2)CCCO3)c[nH+]c1N1CCCC[C@H]1C ZINC000330346444 498112586 /nfs/dbraw/zinc/11/25/86/498112586.db2.gz GNTZLJLVHZNYDH-CQSZACIVSA-N 1 2 355.442 3.384 20 30 FGEDLO CC(C)N(C)c1cccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330358382 498117082 /nfs/dbraw/zinc/11/70/82/498117082.db2.gz UTLSOSONLZSFRZ-LPHOPBHVSA-N 1 2 371.485 3.320 20 30 FGEDLO CC[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)C(F)(F)F ZINC000569638307 505981676 /nfs/dbraw/zinc/98/16/76/505981676.db2.gz OKRDBPMLLNRXGB-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO CC[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)C(F)(F)F ZINC000569638307 505981678 /nfs/dbraw/zinc/98/16/78/505981678.db2.gz OKRDBPMLLNRXGB-GFCCVEGCSA-N 1 2 351.166 3.066 20 30 FGEDLO N#Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000296632486 498130828 /nfs/dbraw/zinc/13/08/28/498130828.db2.gz VSPDFVLLBWVZDY-UHFFFAOYSA-N 1 2 358.243 3.323 20 30 FGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000296660725 498142030 /nfs/dbraw/zinc/14/20/30/498142030.db2.gz FDGQYRDXUBBXEY-SJLPKXTDSA-N 1 2 355.438 3.151 20 30 FGEDLO C=CCOc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000296660725 498142035 /nfs/dbraw/zinc/14/20/35/498142035.db2.gz FDGQYRDXUBBXEY-SJLPKXTDSA-N 1 2 355.438 3.151 20 30 FGEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)S1 ZINC000301574180 498169463 /nfs/dbraw/zinc/16/94/63/498169463.db2.gz LTKNEQCNQLHROD-NSHDSACASA-N 1 2 354.401 3.190 20 30 FGEDLO N#Cc1cc(Cl)ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301642721 498202443 /nfs/dbraw/zinc/20/24/43/498202443.db2.gz MTBWABRZUGIFJP-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO N#Cc1cc(Cl)ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301642721 498202449 /nfs/dbraw/zinc/20/24/49/498202449.db2.gz MTBWABRZUGIFJP-UXHICEINSA-N 1 2 353.853 3.301 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318939 498299270 /nfs/dbraw/zinc/29/92/70/498299270.db2.gz KFYCBIWELXWDKP-MAUKXSAKSA-N 1 2 361.461 3.208 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318939 498299278 /nfs/dbraw/zinc/29/92/78/498299278.db2.gz KFYCBIWELXWDKP-MAUKXSAKSA-N 1 2 361.461 3.208 20 30 FGEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)ccc1Br ZINC000331339425 498304598 /nfs/dbraw/zinc/30/45/98/498304598.db2.gz JSVQJGPXZGZQOB-SLEUVZQESA-N 1 2 350.260 3.366 20 30 FGEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000293404114 498373166 /nfs/dbraw/zinc/37/31/66/498373166.db2.gz HSMDRHNJUZAYQW-OLZOCXBDSA-N 1 2 352.265 3.443 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000282095736 498382184 /nfs/dbraw/zinc/38/21/84/498382184.db2.gz XNWMRIANBPUJRG-GOSISDBHSA-N 1 2 367.453 3.242 20 30 FGEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3F)CC2)c2c([nH+]1)CCCC2 ZINC000302060234 498390604 /nfs/dbraw/zinc/39/06/04/498390604.db2.gz SPKXWUQZSHUTDO-UHFFFAOYSA-N 1 2 351.429 3.001 20 30 FGEDLO N#Cc1ccc(CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000365301508 498395311 /nfs/dbraw/zinc/39/53/11/498395311.db2.gz YXHIQYDHMFQJAH-IBGZPJMESA-N 1 2 360.461 3.361 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCS[C@H](C)C2)c1C#N ZINC000331645323 498406441 /nfs/dbraw/zinc/40/64/41/498406441.db2.gz STJOEANDLOPQOC-CYBMUJFWSA-N 1 2 360.527 3.468 20 30 FGEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCS[C@H](C)C2)c1C#N ZINC000331645323 498406444 /nfs/dbraw/zinc/40/64/44/498406444.db2.gz STJOEANDLOPQOC-CYBMUJFWSA-N 1 2 360.527 3.468 20 30 FGEDLO N#Cc1ccc(OC(F)F)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000361574753 498409714 /nfs/dbraw/zinc/40/97/14/498409714.db2.gz BJDYUMQLGVRMOO-CQSZACIVSA-N 1 2 372.375 3.410 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000361614286 498412438 /nfs/dbraw/zinc/41/24/38/498412438.db2.gz YXCPHLYCGCUUGX-UHFFFAOYSA-N 1 2 360.421 3.390 20 30 FGEDLO Cc1ccc([C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000302203060 498441634 /nfs/dbraw/zinc/44/16/34/498441634.db2.gz IMOUFOPJRRWMND-HXUWFJFHSA-N 1 2 366.421 3.260 20 30 FGEDLO Cn1cccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000365446991 498470973 /nfs/dbraw/zinc/47/09/73/498470973.db2.gz KYZFAWYNERPXGF-UHFFFAOYSA-N 1 2 374.847 3.084 20 30 FGEDLO Cc1cc(C=C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000362742002 498548883 /nfs/dbraw/zinc/54/88/83/498548883.db2.gz QEZFYIIQEALILN-FQEVSTJZSA-N 1 2 362.433 3.139 20 30 FGEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000332163138 498585187 /nfs/dbraw/zinc/58/51/87/498585187.db2.gz ZKOUWTBGRHZUBW-BEFAXECRSA-N 1 2 368.481 3.105 20 30 FGEDLO C=CCC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000287055729 498609652 /nfs/dbraw/zinc/60/96/52/498609652.db2.gz NBUVFVBOCGLQLX-SXLOBPIMSA-N 1 2 357.498 3.199 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000332244103 498616443 /nfs/dbraw/zinc/61/64/43/498616443.db2.gz APVUTLHYIFVGGM-KRWDZBQOSA-N 1 2 365.481 3.442 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NC4CCCC4)cc3)n2c1 ZINC000572945139 506089652 /nfs/dbraw/zinc/08/96/52/506089652.db2.gz RWDFAVHCBFRYGN-UHFFFAOYSA-N 1 2 359.433 3.490 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000581946289 506096541 /nfs/dbraw/zinc/09/65/41/506096541.db2.gz GZUSQVBNKBRYRY-UHFFFAOYSA-N 1 2 370.453 3.081 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000581946289 506096545 /nfs/dbraw/zinc/09/65/45/506096545.db2.gz GZUSQVBNKBRYRY-UHFFFAOYSA-N 1 2 370.453 3.081 20 30 FGEDLO CCN1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328610540 498873772 /nfs/dbraw/zinc/87/37/72/498873772.db2.gz NTMBQZPHZJOMRN-HNNXBMFYSA-N 1 2 363.412 3.446 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCN(c3ccc(F)cc3)C1=O)CCC2 ZINC000328641050 498886822 /nfs/dbraw/zinc/88/68/22/498886822.db2.gz CYVVQKQWXWFAMC-YOEHRIQHSA-N 1 2 370.428 3.218 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374327 498898913 /nfs/dbraw/zinc/89/89/13/498898913.db2.gz HTHUQRFXKIQKDB-CJNGLKHVSA-N 1 2 358.467 3.161 20 30 FGEDLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000366374327 498898916 /nfs/dbraw/zinc/89/89/16/498898916.db2.gz HTHUQRFXKIQKDB-CJNGLKHVSA-N 1 2 358.467 3.161 20 30 FGEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C2CC2)O1 ZINC000366378952 498901812 /nfs/dbraw/zinc/90/18/12/498901812.db2.gz NTJCCPXTJATEPG-BTYIYWSLSA-N 1 2 351.450 3.237 20 30 FGEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C2CC2)O1 ZINC000366378952 498901818 /nfs/dbraw/zinc/90/18/18/498901818.db2.gz NTJCCPXTJATEPG-BTYIYWSLSA-N 1 2 351.450 3.237 20 30 FGEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000328749483 498925492 /nfs/dbraw/zinc/92/54/92/498925492.db2.gz BQKMWBLJHFODCA-QGZVFWFLSA-N 1 2 358.486 3.260 20 30 FGEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000328749483 498925496 /nfs/dbraw/zinc/92/54/96/498925496.db2.gz BQKMWBLJHFODCA-QGZVFWFLSA-N 1 2 358.486 3.260 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N(C)[C@H](C)Cc1ccc(O)cc1)CCC2 ZINC000328774878 498934469 /nfs/dbraw/zinc/93/44/69/498934469.db2.gz SDGIAKZDYVQJIC-WBVHZDCISA-N 1 2 356.470 3.252 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCO1 ZINC000328837647 498956733 /nfs/dbraw/zinc/95/67/33/498956733.db2.gz TVFUXRDQKONALD-OAHLLOKOSA-N 1 2 352.504 3.175 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000328869359 498966833 /nfs/dbraw/zinc/96/68/33/498966833.db2.gz CUAWYKKPVKPPHI-IDHHARJASA-N 1 2 362.518 3.333 20 30 FGEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)C(C)(C)C ZINC000288306092 498990151 /nfs/dbraw/zinc/99/01/51/498990151.db2.gz FZLPSOGJUOIOKZ-GOSISDBHSA-N 1 2 365.433 3.285 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329011268 499014158 /nfs/dbraw/zinc/01/41/58/499014158.db2.gz ORYQZEFQGQALSC-FPOVZHCZSA-N 1 2 366.465 3.189 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027673 499018442 /nfs/dbraw/zinc/01/84/42/499018442.db2.gz KGDOBKUBGSACOT-GXFFZTMASA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)sc1C ZINC000329027673 499018448 /nfs/dbraw/zinc/01/84/48/499018448.db2.gz KGDOBKUBGSACOT-GXFFZTMASA-N 1 2 361.471 3.486 20 30 FGEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028739 499019726 /nfs/dbraw/zinc/01/97/26/499019726.db2.gz KPCJVLSZHKFAFI-CMPLNLGQSA-N 1 2 371.466 3.266 20 30 FGEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329028739 499019730 /nfs/dbraw/zinc/01/97/30/499019730.db2.gz KPCJVLSZHKFAFI-CMPLNLGQSA-N 1 2 371.466 3.266 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(F)c1 ZINC000329039346 499022940 /nfs/dbraw/zinc/02/29/40/499022940.db2.gz SHWRGXBCAKWPJV-XYPHTWIQSA-N 1 2 362.449 3.192 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(F)c1 ZINC000329039346 499022945 /nfs/dbraw/zinc/02/29/45/499022945.db2.gz SHWRGXBCAKWPJV-XYPHTWIQSA-N 1 2 362.449 3.192 20 30 FGEDLO C#CC[C@@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC000366755609 499061622 /nfs/dbraw/zinc/06/16/22/499061622.db2.gz HMECWNOPVOBFMO-LJQANCHMSA-N 1 2 368.506 3.171 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)[C@H]1CCCO1 ZINC000329267759 499087775 /nfs/dbraw/zinc/08/77/75/499087775.db2.gz GHUOFPKDMMFFPM-QGZVFWFLSA-N 1 2 368.437 3.197 20 30 FGEDLO CCO[C@@H]1C[C@@H](NC(=O)NCc2cn3ccccc3[nH+]2)C12CCCCC2 ZINC000329326257 499099835 /nfs/dbraw/zinc/09/98/35/499099835.db2.gz WPBHSGHXYZZRTL-IAGOWNOFSA-N 1 2 356.470 3.466 20 30 FGEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329340131 499103649 /nfs/dbraw/zinc/10/36/49/499103649.db2.gz RJCPMRAEAWZNSZ-CYBMUJFWSA-N 1 2 352.504 3.237 20 30 FGEDLO CS[C@@H]1CCCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329343848 499104561 /nfs/dbraw/zinc/10/45/61/499104561.db2.gz QHJFPOSUJALWPE-CVEARBPZSA-N 1 2 366.531 3.019 20 30 FGEDLO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329405931 499116149 /nfs/dbraw/zinc/11/61/49/499116149.db2.gz BZASAOVFFKAPHB-ONIAQPFYSA-N 1 2 358.486 3.017 20 30 FGEDLO CC(C)(CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000329458552 499124425 /nfs/dbraw/zinc/12/44/25/499124425.db2.gz REEIRFJPHJNHRI-QGZVFWFLSA-N 1 2 374.481 3.293 20 30 FGEDLO CC(C)(CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000329458552 499124427 /nfs/dbraw/zinc/12/44/27/499124427.db2.gz REEIRFJPHJNHRI-QGZVFWFLSA-N 1 2 374.481 3.293 20 30 FGEDLO O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329476355 499126928 /nfs/dbraw/zinc/12/69/28/499126928.db2.gz BLPJGBNMEGZRNV-GOSISDBHSA-N 1 2 354.454 3.177 20 30 FGEDLO O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329476355 499126930 /nfs/dbraw/zinc/12/69/30/499126930.db2.gz BLPJGBNMEGZRNV-GOSISDBHSA-N 1 2 354.454 3.177 20 30 FGEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)cc1 ZINC000369840926 499136949 /nfs/dbraw/zinc/13/69/49/499136949.db2.gz OSCFUJHGPYJUGX-LJQANCHMSA-N 1 2 356.429 3.301 20 30 FGEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068273 499143165 /nfs/dbraw/zinc/14/31/65/499143165.db2.gz WNSXGTXNIYVFAC-HNNXBMFYSA-N 1 2 360.421 3.145 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1)c1nnnn1C1CC1 ZINC000372811605 499179041 /nfs/dbraw/zinc/17/90/41/499179041.db2.gz HRZHEOZKNXLLEI-NEPJUHHUSA-N 1 2 365.466 3.415 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367816692 499235580 /nfs/dbraw/zinc/23/55/80/499235580.db2.gz UQLLZOXBKKQJGV-DYVFJYSZSA-N 1 2 374.847 3.476 20 30 FGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368052886 499260087 /nfs/dbraw/zinc/26/00/87/499260087.db2.gz ZTIYTFFAGVPKPY-CQSZACIVSA-N 1 2 364.726 3.278 20 30 FGEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000368052886 499260088 /nfs/dbraw/zinc/26/00/88/499260088.db2.gz ZTIYTFFAGVPKPY-CQSZACIVSA-N 1 2 364.726 3.278 20 30 FGEDLO COc1ccccc1[C@@H](NC(=O)c1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000371164270 499295195 /nfs/dbraw/zinc/29/51/95/499295195.db2.gz MTMOGLPSTSCWMN-LJQANCHMSA-N 1 2 360.417 3.014 20 30 FGEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000368607140 499313014 /nfs/dbraw/zinc/31/30/14/499313014.db2.gz YBQXSQTVLJYJQQ-YJBOKZPZSA-N 1 2 367.428 3.001 20 30 FGEDLO CC(C)(C)c1ncc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458582 499329319 /nfs/dbraw/zinc/32/93/19/499329319.db2.gz LENCICAMMPXOHR-ZUOKHONESA-N 1 2 366.490 3.286 20 30 FGEDLO CC(C)(C)c1ncc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)s1 ZINC000371458582 499329321 /nfs/dbraw/zinc/32/93/21/499329321.db2.gz LENCICAMMPXOHR-ZUOKHONESA-N 1 2 366.490 3.286 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2)ccn1 ZINC000582152055 506145504 /nfs/dbraw/zinc/14/55/04/506145504.db2.gz CGYIYHSALXDPIZ-HNNXBMFYSA-N 1 2 374.404 3.079 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2OC)sc1C ZINC000373506768 499473961 /nfs/dbraw/zinc/47/39/61/499473961.db2.gz FWLZWEQQLCKUFT-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)sc1C ZINC000373506768 499473962 /nfs/dbraw/zinc/47/39/62/499473962.db2.gz FWLZWEQQLCKUFT-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO CN1c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2CCC1=O ZINC000373582735 499478046 /nfs/dbraw/zinc/47/80/46/499478046.db2.gz HRSQTCSGIBDTFR-OAQYLSRUSA-N 1 2 361.445 3.041 20 30 FGEDLO CN1c2ccc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2CCC1=O ZINC000373582735 499478047 /nfs/dbraw/zinc/47/80/47/499478047.db2.gz HRSQTCSGIBDTFR-OAQYLSRUSA-N 1 2 361.445 3.041 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000378311179 499500529 /nfs/dbraw/zinc/50/05/29/499500529.db2.gz LJIHZSPRVLYZNJ-LJQANCHMSA-N 1 2 354.381 3.057 20 30 FGEDLO COC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1F ZINC000378311179 499500530 /nfs/dbraw/zinc/50/05/30/499500530.db2.gz LJIHZSPRVLYZNJ-LJQANCHMSA-N 1 2 354.381 3.057 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000378370791 499508027 /nfs/dbraw/zinc/50/80/27/499508027.db2.gz MKZVLDNLGNGRAD-IBGZPJMESA-N 1 2 354.454 3.283 20 30 FGEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000378370791 499508028 /nfs/dbraw/zinc/50/80/28/499508028.db2.gz MKZVLDNLGNGRAD-IBGZPJMESA-N 1 2 354.454 3.283 20 30 FGEDLO N#C[C@@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCc2ccccc2C1 ZINC000378459912 499519531 /nfs/dbraw/zinc/51/95/31/499519531.db2.gz USTITINXJQRVNM-HSZRJFAPSA-N 1 2 370.456 3.246 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375731857 499549638 /nfs/dbraw/zinc/54/96/38/499549638.db2.gz PGNLIIMWYYDNTJ-HUUCEWRRSA-N 1 2 353.426 3.122 20 30 FGEDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000375977909 499573484 /nfs/dbraw/zinc/57/34/84/499573484.db2.gz UWZBILNUNQJFAO-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000375977909 499573485 /nfs/dbraw/zinc/57/34/85/499573485.db2.gz UWZBILNUNQJFAO-INIZCTEOSA-N 1 2 370.840 3.007 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000376916663 499646248 /nfs/dbraw/zinc/64/62/48/499646248.db2.gz QOYPBXBFJRYJNS-IRXDYDNUSA-N 1 2 364.440 3.339 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000376916663 499646250 /nfs/dbraw/zinc/64/62/50/499646250.db2.gz QOYPBXBFJRYJNS-IRXDYDNUSA-N 1 2 364.440 3.339 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000376930472 499647289 /nfs/dbraw/zinc/64/72/89/499647289.db2.gz HLBFYDPGBMECAY-UXHICEINSA-N 1 2 356.416 3.022 20 30 FGEDLO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000376930472 499647290 /nfs/dbraw/zinc/64/72/90/499647290.db2.gz HLBFYDPGBMECAY-UXHICEINSA-N 1 2 356.416 3.022 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](CCC)Cc2ccccc2Br)C1=O ZINC000410339511 499656105 /nfs/dbraw/zinc/65/61/05/499656105.db2.gz TXXYEUAKGFSZJJ-INIZCTEOSA-N 1 2 351.288 3.448 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](CCC)Cc2ccccc2Br)C1=O ZINC000410339511 499656107 /nfs/dbraw/zinc/65/61/07/499656107.db2.gz TXXYEUAKGFSZJJ-INIZCTEOSA-N 1 2 351.288 3.448 20 30 FGEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)C2 ZINC000377375558 499684951 /nfs/dbraw/zinc/68/49/51/499684951.db2.gz WDLZNCLRXFDBGL-QGZVFWFLSA-N 1 2 356.429 3.475 20 30 FGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411187511 499708426 /nfs/dbraw/zinc/70/84/26/499708426.db2.gz BCKFWWWNXLEVNM-SFHVURJKSA-N 1 2 362.458 3.285 20 30 FGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411187511 499708427 /nfs/dbraw/zinc/70/84/27/499708427.db2.gz BCKFWWWNXLEVNM-SFHVURJKSA-N 1 2 362.458 3.285 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]n1 ZINC000377844195 499741423 /nfs/dbraw/zinc/74/14/23/499741423.db2.gz KNIWUKYFDNLKCL-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]n1 ZINC000377844195 499741425 /nfs/dbraw/zinc/74/14/25/499741425.db2.gz KNIWUKYFDNLKCL-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n[nH]1 ZINC000377844195 499741426 /nfs/dbraw/zinc/74/14/26/499741426.db2.gz KNIWUKYFDNLKCL-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)n[nH]1 ZINC000377844195 499741428 /nfs/dbraw/zinc/74/14/28/499741428.db2.gz KNIWUKYFDNLKCL-CQSZACIVSA-N 1 2 357.845 3.061 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000414128884 499763026 /nfs/dbraw/zinc/76/30/26/499763026.db2.gz HTQDBKNYFSYGEP-QGZVFWFLSA-N 1 2 368.462 3.188 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000414128884 499763027 /nfs/dbraw/zinc/76/30/27/499763027.db2.gz HTQDBKNYFSYGEP-QGZVFWFLSA-N 1 2 368.462 3.188 20 30 FGEDLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)c(C)[nH+]1 ZINC000411558250 499763096 /nfs/dbraw/zinc/76/30/96/499763096.db2.gz LGQRJKRNVWSKPF-GOSISDBHSA-N 1 2 364.449 3.497 20 30 FGEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000411769278 499788612 /nfs/dbraw/zinc/78/86/12/499788612.db2.gz JWKXRNAHJCDEOR-UHFFFAOYSA-N 1 2 370.453 3.217 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901645 499802475 /nfs/dbraw/zinc/80/24/75/499802475.db2.gz FOUHMIVKIAOTHM-CQSZACIVSA-N 1 2 360.454 3.140 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901645 499802477 /nfs/dbraw/zinc/80/24/77/499802477.db2.gz FOUHMIVKIAOTHM-CQSZACIVSA-N 1 2 360.454 3.140 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412102809 499823364 /nfs/dbraw/zinc/82/33/64/499823364.db2.gz KLOOQYOHPMYAAB-IBGZPJMESA-N 1 2 362.495 3.178 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412102809 499823366 /nfs/dbraw/zinc/82/33/66/499823366.db2.gz KLOOQYOHPMYAAB-IBGZPJMESA-N 1 2 362.495 3.178 20 30 FGEDLO Cc1cnc([C@H](C)[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000428973995 499971963 /nfs/dbraw/zinc/97/19/63/499971963.db2.gz ZASWQDABJXNKDR-KXBFYZLASA-N 1 2 355.873 3.382 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429018057 499983967 /nfs/dbraw/zinc/98/39/67/499983967.db2.gz HKHZWEZLCKOLQN-FSSWDIPSSA-N 1 2 362.473 3.394 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429018057 499983968 /nfs/dbraw/zinc/98/39/68/499983968.db2.gz HKHZWEZLCKOLQN-FSSWDIPSSA-N 1 2 362.473 3.394 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421402998 500039476 /nfs/dbraw/zinc/03/94/76/500039476.db2.gz WNZHGWNQKGZZHL-KRWDZBQOSA-N 1 2 368.271 3.387 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@]23CCOC3)cc1OC ZINC000421402998 500039477 /nfs/dbraw/zinc/03/94/77/500039477.db2.gz WNZHGWNQKGZZHL-KRWDZBQOSA-N 1 2 368.271 3.387 20 30 FGEDLO Cc1cc(N(C)C[C@H](O)COc2ccccc2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425205527 500043897 /nfs/dbraw/zinc/04/38/97/500043897.db2.gz BOADWZMUUVEJFY-AWEZNQCLSA-N 1 2 365.355 3.157 20 30 FGEDLO Cc1cc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425224373 500049414 /nfs/dbraw/zinc/04/94/14/500049414.db2.gz KYFVQWIQDIIPMI-OAHLLOKOSA-N 1 2 367.428 3.439 20 30 FGEDLO CCOC(=O)c1csc(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000425255570 500057778 /nfs/dbraw/zinc/05/77/78/500057778.db2.gz GGOCFCTYCPYRJU-UHFFFAOYSA-N 1 2 356.451 3.279 20 30 FGEDLO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000429711925 500128791 /nfs/dbraw/zinc/12/87/91/500128791.db2.gz AGRHLFTULDHVEK-INIZCTEOSA-N 1 2 364.449 3.132 20 30 FGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425611179 500159929 /nfs/dbraw/zinc/15/99/29/500159929.db2.gz NWROOFBUAJSYKI-HRCADAONSA-N 1 2 360.889 3.420 20 30 FGEDLO Cn1cc(C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430779942 500283965 /nfs/dbraw/zinc/28/39/65/500283965.db2.gz HPGXJONYNGDUIK-UHFFFAOYSA-N 1 2 353.857 3.486 20 30 FGEDLO Cn1cc(C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430779942 500283967 /nfs/dbraw/zinc/28/39/67/500283967.db2.gz HPGXJONYNGDUIK-UHFFFAOYSA-N 1 2 353.857 3.486 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419321206 500353022 /nfs/dbraw/zinc/35/30/22/500353022.db2.gz YWVQOSQMLQUYQL-UXHICEINSA-N 1 2 350.418 3.316 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419321206 500353026 /nfs/dbraw/zinc/35/30/26/500353026.db2.gz YWVQOSQMLQUYQL-UXHICEINSA-N 1 2 350.418 3.316 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)s3)CC2)s1 ZINC000420884086 500521341 /nfs/dbraw/zinc/52/13/41/500521341.db2.gz JDKBXSCWIGYXFJ-UHFFFAOYSA-N 1 2 374.535 3.271 20 30 FGEDLO C[C@@H](Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573480001 506201452 /nfs/dbraw/zinc/20/14/52/506201452.db2.gz CIRBPJQHWARAMO-UTKZUKDTSA-N 1 2 352.482 3.478 20 30 FGEDLO C[C@@H](Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)c1ccccc1 ZINC000573480001 506201454 /nfs/dbraw/zinc/20/14/54/506201454.db2.gz CIRBPJQHWARAMO-UTKZUKDTSA-N 1 2 352.482 3.478 20 30 FGEDLO C=CCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000424832385 500569844 /nfs/dbraw/zinc/56/98/44/500569844.db2.gz UTLNNZDEIGHUFL-QGZVFWFLSA-N 1 2 357.498 3.298 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1F ZINC000437104575 500603049 /nfs/dbraw/zinc/60/30/49/500603049.db2.gz GKNVGHORUDYVBF-NSHGMRRFSA-N 1 2 354.425 3.337 20 30 FGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000437104575 500603052 /nfs/dbraw/zinc/60/30/52/500603052.db2.gz GKNVGHORUDYVBF-NSHGMRRFSA-N 1 2 354.425 3.337 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147186 500607346 /nfs/dbraw/zinc/60/73/46/500607346.db2.gz SAQPZJQGZPFSDL-AAEUAGOBSA-N 1 2 350.287 3.047 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(OC(F)F)c1 ZINC000437147186 500607348 /nfs/dbraw/zinc/60/73/48/500607348.db2.gz SAQPZJQGZPFSDL-AAEUAGOBSA-N 1 2 350.287 3.047 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccc(Cl)cc1 ZINC000442895966 500643242 /nfs/dbraw/zinc/64/32/42/500643242.db2.gz FTENZEOVFBEZIW-KRWDZBQOSA-N 1 2 366.808 3.170 20 30 FGEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000433297815 500664559 /nfs/dbraw/zinc/66/45/59/500664559.db2.gz MLBRWGKFWMPCEW-GFCCVEGCSA-N 1 2 357.376 3.244 20 30 FGEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000433297815 500664562 /nfs/dbraw/zinc/66/45/62/500664562.db2.gz MLBRWGKFWMPCEW-GFCCVEGCSA-N 1 2 357.376 3.244 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447875397 500682772 /nfs/dbraw/zinc/68/27/72/500682772.db2.gz QTOINRFSXISYMO-GOSISDBHSA-N 1 2 372.513 3.123 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000447875397 500682773 /nfs/dbraw/zinc/68/27/73/500682773.db2.gz QTOINRFSXISYMO-GOSISDBHSA-N 1 2 372.513 3.123 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641216 500810264 /nfs/dbraw/zinc/81/02/64/500810264.db2.gz LJAHMUOYCJDBAJ-UHFFFAOYSA-N 1 2 363.343 3.360 20 30 FGEDLO Cn1c2ccc(CNc3[nH+]cccc3OCCCC#N)cc2sc1=O ZINC000438928395 500836769 /nfs/dbraw/zinc/83/67/69/500836769.db2.gz IJPKEXGMYRVNOV-UHFFFAOYSA-N 1 2 354.435 3.290 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580081 506221934 /nfs/dbraw/zinc/22/19/34/506221934.db2.gz QKYZYPFIFXPNID-BBRMVZONSA-N 1 2 369.387 3.164 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580081 506221940 /nfs/dbraw/zinc/22/19/40/506221940.db2.gz QKYZYPFIFXPNID-BBRMVZONSA-N 1 2 369.387 3.164 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722713 500887684 /nfs/dbraw/zinc/88/76/84/500887684.db2.gz INZBAYGKABSUAO-OCCSQVGLSA-N 1 2 364.314 3.295 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(OC(F)F)c1 ZINC000444722713 500887685 /nfs/dbraw/zinc/88/76/85/500887685.db2.gz INZBAYGKABSUAO-OCCSQVGLSA-N 1 2 364.314 3.295 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444767542 500895877 /nfs/dbraw/zinc/89/58/77/500895877.db2.gz STSKBGMERKHUBG-UHFFFAOYSA-N 1 2 366.852 3.414 20 30 FGEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CCC3 ZINC000439546660 500913184 /nfs/dbraw/zinc/91/31/84/500913184.db2.gz WVXSKSMTXCHBOH-UHFFFAOYSA-N 1 2 358.492 3.159 20 30 FGEDLO C=CC[C@H]1N(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCC1(C)C ZINC000444875617 500915423 /nfs/dbraw/zinc/91/54/23/500915423.db2.gz AGZIXUJPHLLAHE-GOSISDBHSA-N 1 2 372.513 3.195 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000435068634 500930419 /nfs/dbraw/zinc/93/04/19/500930419.db2.gz WEWPENDHFBVJLJ-XLIONFOSSA-N 1 2 352.409 3.476 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000435068634 500930422 /nfs/dbraw/zinc/93/04/22/500930422.db2.gz WEWPENDHFBVJLJ-XLIONFOSSA-N 1 2 352.409 3.476 20 30 FGEDLO Cn1cc(Cl)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000449481626 501013338 /nfs/dbraw/zinc/01/33/38/501013338.db2.gz UUWLABKDTGLBGG-UHFFFAOYSA-N 1 2 354.845 3.140 20 30 FGEDLO N#Cc1ccc(C2(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CC2)cc1 ZINC000436071518 501065876 /nfs/dbraw/zinc/06/58/76/501065876.db2.gz XUEMOWGURWYFEB-UHFFFAOYSA-N 1 2 360.461 3.292 20 30 FGEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000440978806 501070660 /nfs/dbraw/zinc/07/06/60/501070660.db2.gz ADPXEFHXDYRQCO-UHFFFAOYSA-N 1 2 374.916 3.497 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3ncsc3C2)c1 ZINC000446082675 501071147 /nfs/dbraw/zinc/07/11/47/501071147.db2.gz RDDWQUUUPXOZCO-MRXNPFEDSA-N 1 2 368.506 3.453 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3ncsc3C2)c1 ZINC000446082675 501071150 /nfs/dbraw/zinc/07/11/50/501071150.db2.gz RDDWQUUUPXOZCO-MRXNPFEDSA-N 1 2 368.506 3.453 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441076853 501084465 /nfs/dbraw/zinc/08/44/65/501084465.db2.gz FKCXRZQHGUNFPF-IIBYNOLFSA-N 1 2 357.498 3.276 20 30 FGEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441076853 501084468 /nfs/dbraw/zinc/08/44/68/501084468.db2.gz FKCXRZQHGUNFPF-IIBYNOLFSA-N 1 2 357.498 3.276 20 30 FGEDLO Cc1ccc2[nH+]cc(CN3CCN(c4ccc(C#N)cc4Cl)CC3)n2c1 ZINC000446919014 501181339 /nfs/dbraw/zinc/18/13/39/501181339.db2.gz CQZYWJFUKBDSKL-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668737 501282602 /nfs/dbraw/zinc/28/26/02/501282602.db2.gz MEZBVOLLQKNAKU-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1C#N ZINC000457668737 501282604 /nfs/dbraw/zinc/28/26/04/501282604.db2.gz MEZBVOLLQKNAKU-AEFFLSMTSA-N 1 2 372.831 3.229 20 30 FGEDLO C=CCC1(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCCCC1 ZINC000457669069 501283209 /nfs/dbraw/zinc/28/32/09/501283209.db2.gz WRBVNLZOFNYDHJ-QGZVFWFLSA-N 1 2 372.513 3.385 20 30 FGEDLO C=CCC1(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CCCCC1 ZINC000451443821 501294188 /nfs/dbraw/zinc/29/41/88/501294188.db2.gz FNSZKEWOEMDTIX-HXUWFJFHSA-N 1 2 364.530 3.435 20 30 FGEDLO C=CCc1cc(CNC(=O)N[C@H](C)c2[nH+]ccn2CC)cc(OC)c1OC ZINC000455460863 501308173 /nfs/dbraw/zinc/30/81/73/501308173.db2.gz IALIJZYQIFGEPX-CQSZACIVSA-N 1 2 372.469 3.209 20 30 FGEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451574729 501328758 /nfs/dbraw/zinc/32/87/58/501328758.db2.gz RXNFGCYMRKNYDN-XJKSGUPXSA-N 1 2 361.511 3.184 20 30 FGEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451574729 501328760 /nfs/dbraw/zinc/32/87/60/501328760.db2.gz RXNFGCYMRKNYDN-XJKSGUPXSA-N 1 2 361.511 3.184 20 30 FGEDLO C=CCc1cc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc(OC)c1OC ZINC000455567878 501336214 /nfs/dbraw/zinc/33/62/14/501336214.db2.gz ZZNAWJMAZNDDKW-UHFFFAOYSA-N 1 2 369.465 3.444 20 30 FGEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000453880525 501421349 /nfs/dbraw/zinc/42/13/49/501421349.db2.gz MUXWUQDINJOEDD-UHFFFAOYSA-N 1 2 366.465 3.153 20 30 FGEDLO C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000455949024 501423728 /nfs/dbraw/zinc/42/37/28/501423728.db2.gz QHXQJRZRGINWLU-APWZRJJASA-N 1 2 350.466 3.433 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000456010658 501437772 /nfs/dbraw/zinc/43/77/72/501437772.db2.gz UOAQHDPWKAKRQR-OAHLLOKOSA-N 1 2 351.454 3.497 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458573759 501477620 /nfs/dbraw/zinc/47/76/20/501477620.db2.gz AFFRRSLMUGBEPQ-HZPDHXFCSA-N 1 2 366.868 3.463 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458573759 501477622 /nfs/dbraw/zinc/47/76/22/501477622.db2.gz AFFRRSLMUGBEPQ-HZPDHXFCSA-N 1 2 366.868 3.463 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458608235 501486757 /nfs/dbraw/zinc/48/67/57/501486757.db2.gz KWIJNPVMFCEMRD-SJORKVTESA-N 1 2 365.905 3.223 20 30 FGEDLO C=CC(C)(C)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458608235 501486760 /nfs/dbraw/zinc/48/67/60/501486760.db2.gz KWIJNPVMFCEMRD-SJORKVTESA-N 1 2 365.905 3.223 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458794816 501533444 /nfs/dbraw/zinc/53/34/44/501533444.db2.gz BPIIPGFHRHZLBQ-ROUUACIJSA-N 1 2 351.454 3.354 20 30 FGEDLO C=CCc1cc(CNc2cc(CC(=O)OC)cc[nH+]2)cc(OC)c1OC ZINC000596101070 506258871 /nfs/dbraw/zinc/25/88/71/506258871.db2.gz JLZQWJVTBSJSSL-UHFFFAOYSA-N 1 2 356.422 3.155 20 30 FGEDLO Cc1ccnc(OC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000459418047 501650463 /nfs/dbraw/zinc/65/04/63/501650463.db2.gz WPLCFWDWEIXRCK-UHFFFAOYSA-N 1 2 352.394 3.213 20 30 FGEDLO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459450411 501656024 /nfs/dbraw/zinc/65/60/24/501656024.db2.gz AHOQLAFYDLLGTA-OCCSQVGLSA-N 1 2 363.483 3.016 20 30 FGEDLO COC(=O)C[C@@](C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000459487235 501662073 /nfs/dbraw/zinc/66/20/73/501662073.db2.gz QUWMYCNEPVRSJB-LJQANCHMSA-N 1 2 371.368 3.174 20 30 FGEDLO C[C@@H]1CN(c2ccccc2C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000459603802 501685436 /nfs/dbraw/zinc/68/54/36/501685436.db2.gz ASOHTVKPKCNHTG-QGZVFWFLSA-N 1 2 363.461 3.047 20 30 FGEDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ncc1C#N ZINC000457490204 501709057 /nfs/dbraw/zinc/70/90/57/501709057.db2.gz TYLBSKVXGYLDPH-UHFFFAOYSA-N 1 2 355.467 3.202 20 30 FGEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@@H]1C ZINC000467287168 501758951 /nfs/dbraw/zinc/75/89/51/501758951.db2.gz FCCBUGPIUYUZHK-LIRRHRJNSA-N 1 2 372.513 3.387 20 30 FGEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC[C@@H]1C ZINC000467287168 501758954 /nfs/dbraw/zinc/75/89/54/501758954.db2.gz FCCBUGPIUYUZHK-LIRRHRJNSA-N 1 2 372.513 3.387 20 30 FGEDLO C=CCCO[C@@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485292119 501778583 /nfs/dbraw/zinc/77/85/83/501778583.db2.gz XQRPQVBUMZASQP-INIZCTEOSA-N 1 2 367.453 3.243 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1OC ZINC000468015623 501930052 /nfs/dbraw/zinc/93/00/52/501930052.db2.gz GEQMSUVYLFWUDY-UHFFFAOYSA-N 1 2 366.421 3.455 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485868336 501968232 /nfs/dbraw/zinc/96/82/32/501968232.db2.gz ISXCMDWHBHTYNC-SFHVURJKSA-N 1 2 369.383 3.064 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000485868336 501968237 /nfs/dbraw/zinc/96/82/37/501968237.db2.gz ISXCMDWHBHTYNC-SFHVURJKSA-N 1 2 369.383 3.064 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474901780 501985552 /nfs/dbraw/zinc/98/55/52/501985552.db2.gz LGYDAELYSVGTPO-LJQANCHMSA-N 1 2 366.465 3.023 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468231582 501998410 /nfs/dbraw/zinc/99/84/10/501998410.db2.gz SEXSHBDQHHKOSB-LJQANCHMSA-N 1 2 364.449 3.207 20 30 FGEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468231582 501998413 /nfs/dbraw/zinc/99/84/13/501998413.db2.gz SEXSHBDQHHKOSB-LJQANCHMSA-N 1 2 364.449 3.207 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813783 502102562 /nfs/dbraw/zinc/10/25/62/502102562.db2.gz OGBYFNGANSCLRV-RBUKOAKNSA-N 1 2 365.502 3.405 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000464813783 502102566 /nfs/dbraw/zinc/10/25/66/502102566.db2.gz OGBYFNGANSCLRV-RBUKOAKNSA-N 1 2 365.502 3.405 20 30 FGEDLO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000483120100 502279764 /nfs/dbraw/zinc/27/97/64/502279764.db2.gz JSNBEINWFALBBY-OAHLLOKOSA-N 1 2 354.303 3.419 20 30 FGEDLO C[C@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1cccc(C#N)c1 ZINC000462075045 502296286 /nfs/dbraw/zinc/29/62/86/502296286.db2.gz PVDXYTXAXIUWTQ-SCLBCKFNSA-N 1 2 357.404 3.359 20 30 FGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483369005 502363983 /nfs/dbraw/zinc/36/39/83/502363983.db2.gz OIRAXAUBZSMJIT-MAUKXSAKSA-N 1 2 353.384 3.327 20 30 FGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 ZINC000483369005 502363986 /nfs/dbraw/zinc/36/39/86/502363986.db2.gz OIRAXAUBZSMJIT-MAUKXSAKSA-N 1 2 353.384 3.327 20 30 FGEDLO Cc1nc(CC(C)C)oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000476035411 502365515 /nfs/dbraw/zinc/36/55/15/502365515.db2.gz SFMLKDAOEGJIAS-UHFFFAOYSA-N 1 2 366.465 3.011 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ncccc1OCCCC#N ZINC000476111081 502387836 /nfs/dbraw/zinc/38/78/36/502387836.db2.gz OWPKBLLACRJZNW-UHFFFAOYSA-N 1 2 363.421 3.451 20 30 FGEDLO N#CC[C@H](CC(=O)NCCNc1ccc2ccccc2[nH+]1)c1ccccc1 ZINC000476155488 502400380 /nfs/dbraw/zinc/40/03/80/502400380.db2.gz PMVAVJRVDWYAHQ-LJQANCHMSA-N 1 2 358.445 3.272 20 30 FGEDLO N#Cc1c(C#N)c2c(nc1NCCc1cn3ccccc3[nH+]1)CCCCCC2 ZINC000479912398 502416736 /nfs/dbraw/zinc/41/67/36/502416736.db2.gz PPZBONBXDJSNFJ-UHFFFAOYSA-N 1 2 370.460 3.208 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000466124263 502483636 /nfs/dbraw/zinc/48/36/36/502483636.db2.gz PWUOMDQWIWZQHE-PCCBWWKXSA-N 1 2 366.509 3.354 20 30 FGEDLO Cc1nc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)ccc1C#N ZINC000473022641 502502032 /nfs/dbraw/zinc/50/20/32/502502032.db2.gz MMZCBCWGBGZQAY-HOTGVXAUSA-N 1 2 372.469 3.008 20 30 FGEDLO Cc1nc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)ccc1C#N ZINC000473022641 502502037 /nfs/dbraw/zinc/50/20/37/502502037.db2.gz MMZCBCWGBGZQAY-HOTGVXAUSA-N 1 2 372.469 3.008 20 30 FGEDLO CO[C@@]1(C)CCCN(c2cc(C)[nH+]c(N3CCC[C@](C)(OC)C3)c2C#N)C1 ZINC000596223205 506319601 /nfs/dbraw/zinc/31/96/01/506319601.db2.gz OKSGHPVPJDDBFW-SFTDATJTSA-N 1 2 372.513 3.272 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000466399057 502559022 /nfs/dbraw/zinc/55/90/22/502559022.db2.gz LSNCTORSWUVWJW-UYAOXDASSA-N 1 2 359.514 3.274 20 30 FGEDLO Cc1nc(N2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000487918089 502567027 /nfs/dbraw/zinc/56/70/27/502567027.db2.gz NRNWBPREAWHLLB-MRXNPFEDSA-N 1 2 374.448 3.195 20 30 FGEDLO Cc1ccc(-n2c[nH+]c3c2CCN(CC(=O)Nc2ccc(C#N)cc2)C3)cc1 ZINC000487958667 502579502 /nfs/dbraw/zinc/57/95/02/502579502.db2.gz OYFNGZQXAKNHAJ-UHFFFAOYSA-N 1 2 371.444 3.049 20 30 FGEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)c1C ZINC000462953891 502640804 /nfs/dbraw/zinc/64/08/04/502640804.db2.gz OGOWZPYXCCGQJO-VQTJNVASSA-N 1 2 351.450 3.392 20 30 FGEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)c1C ZINC000462953891 502640807 /nfs/dbraw/zinc/64/08/07/502640807.db2.gz OGOWZPYXCCGQJO-VQTJNVASSA-N 1 2 351.450 3.392 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477043748 502658075 /nfs/dbraw/zinc/65/80/75/502658075.db2.gz ABZBWOGZXGGPOS-UHFFFAOYSA-N 1 2 371.440 3.493 20 30 FGEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477043748 502658081 /nfs/dbraw/zinc/65/80/81/502658081.db2.gz ABZBWOGZXGGPOS-UHFFFAOYSA-N 1 2 371.440 3.493 20 30 FGEDLO Cc1cc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)ccc1C#N ZINC000488439345 502714898 /nfs/dbraw/zinc/71/48/98/502714898.db2.gz OBOWDMCQKHAPBA-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000488574659 502754605 /nfs/dbraw/zinc/75/46/05/502754605.db2.gz RPTMFGZKVYZRCP-KUHUBIRLSA-N 1 2 353.853 3.488 20 30 FGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000602869383 506332533 /nfs/dbraw/zinc/33/25/33/506332533.db2.gz NUPBHONTQODRLG-QWHCGFSZSA-N 1 2 356.451 3.219 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477489908 502787413 /nfs/dbraw/zinc/78/74/13/502787413.db2.gz CXMOFNOMCALDAW-IRXDYDNUSA-N 1 2 374.909 3.498 20 30 FGEDLO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477489908 502787415 /nfs/dbraw/zinc/78/74/15/502787415.db2.gz CXMOFNOMCALDAW-IRXDYDNUSA-N 1 2 374.909 3.498 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500577069 502818318 /nfs/dbraw/zinc/81/83/18/502818318.db2.gz WARHCMHUEKHPOX-GJZGRUSLSA-N 1 2 352.841 3.073 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500577069 502818322 /nfs/dbraw/zinc/81/83/22/502818322.db2.gz WARHCMHUEKHPOX-GJZGRUSLSA-N 1 2 352.841 3.073 20 30 FGEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000488846031 502824090 /nfs/dbraw/zinc/82/40/90/502824090.db2.gz ZWTYRNJRCWLGRK-QGZVFWFLSA-N 1 2 353.466 3.202 20 30 FGEDLO N#C[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCN1Cc1ccccc1 ZINC000505438199 502904512 /nfs/dbraw/zinc/90/45/12/502904512.db2.gz NICRHDDVUZOJPY-QFIPXVFZSA-N 1 2 371.488 3.141 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602896525 506342147 /nfs/dbraw/zinc/34/21/47/506342147.db2.gz STIGWBCDYSZDLO-UHFFFAOYSA-N 1 2 365.462 3.006 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(F)(C#N)CC3)n2)C1 ZINC000513502510 502954248 /nfs/dbraw/zinc/95/42/48/502954248.db2.gz AHKWFARSCKGTEJ-ZDUSSCGKSA-N 1 2 365.478 3.235 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(F)(C#N)CC3)n2)C1 ZINC000513502510 502954250 /nfs/dbraw/zinc/95/42/50/502954250.db2.gz AHKWFARSCKGTEJ-ZDUSSCGKSA-N 1 2 365.478 3.235 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000489952829 503074370 /nfs/dbraw/zinc/07/43/70/503074370.db2.gz KHLHQUOEYOJOHF-NRFANRHFSA-N 1 2 363.461 3.076 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000514152344 503101057 /nfs/dbraw/zinc/10/10/57/503101057.db2.gz ULGAZHMCAZBCKK-QGZVFWFLSA-N 1 2 351.450 3.165 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000490070332 503103715 /nfs/dbraw/zinc/10/37/15/503103715.db2.gz HCZHZIYBGKNZFQ-GOSISDBHSA-N 1 2 357.841 3.470 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000490070332 503103718 /nfs/dbraw/zinc/10/37/18/503103718.db2.gz HCZHZIYBGKNZFQ-GOSISDBHSA-N 1 2 357.841 3.470 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501994031 503122716 /nfs/dbraw/zinc/12/27/16/503122716.db2.gz IUPLMRXOZVOARG-KRWDZBQOSA-N 1 2 352.482 3.044 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000501994031 503122720 /nfs/dbraw/zinc/12/27/20/503122720.db2.gz IUPLMRXOZVOARG-KRWDZBQOSA-N 1 2 352.482 3.044 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(COc2cccc(F)c2)c1 ZINC000514856503 503211768 /nfs/dbraw/zinc/21/17/68/503211768.db2.gz KFWQCJZEBWASSD-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(COc2cccc(F)c2)c1 ZINC000514856503 503211774 /nfs/dbraw/zinc/21/17/74/503211774.db2.gz KFWQCJZEBWASSD-IBGZPJMESA-N 1 2 357.429 3.023 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510918699 503217264 /nfs/dbraw/zinc/21/72/64/503217264.db2.gz GAYOFGFZXRSENE-GFCCVEGCSA-N 1 2 373.806 3.492 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510918699 503217266 /nfs/dbraw/zinc/21/72/66/503217266.db2.gz GAYOFGFZXRSENE-GFCCVEGCSA-N 1 2 373.806 3.492 20 30 FGEDLO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(F)(C#N)CC3)cs2)c1 ZINC000510936163 503221177 /nfs/dbraw/zinc/22/11/77/503221177.db2.gz LLAJNHNPHSLNPB-UHFFFAOYSA-N 1 2 359.426 3.424 20 30 FGEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2C1=O ZINC000502546968 503222083 /nfs/dbraw/zinc/22/20/83/503222083.db2.gz RWHUXUKVNYMEDV-UHFFFAOYSA-N 1 2 372.384 3.111 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(F)(C#N)CC3)ccc2c1 ZINC000510955436 503224396 /nfs/dbraw/zinc/22/43/96/503224396.db2.gz XTFZJWBKEZRCKA-UHFFFAOYSA-N 1 2 369.440 3.134 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000507276802 503267712 /nfs/dbraw/zinc/26/77/12/503267712.db2.gz HJTMGDUYOWVNPB-UHFFFAOYSA-N 1 2 370.456 3.472 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507299585 503273318 /nfs/dbraw/zinc/27/33/18/503273318.db2.gz XPBQKDCUZUMNSD-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)c1 ZINC000511174546 503274029 /nfs/dbraw/zinc/27/40/29/503274029.db2.gz HSZVLTLEYQBBTB-OAHLLOKOSA-N 1 2 367.424 3.225 20 30 FGEDLO N#Cc1cc(Cl)ccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498906254 503288800 /nfs/dbraw/zinc/28/88/00/503288800.db2.gz GWISDEOGHHODIZ-UHFFFAOYSA-N 1 2 374.916 3.348 20 30 FGEDLO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055782 506363504 /nfs/dbraw/zinc/36/35/04/506363504.db2.gz PBJOXDMOVJSMPY-ZIAGYGMSSA-N 1 2 361.511 3.325 20 30 FGEDLO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000593055782 506363509 /nfs/dbraw/zinc/36/35/09/506363509.db2.gz PBJOXDMOVJSMPY-ZIAGYGMSSA-N 1 2 361.511 3.325 20 30 FGEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502901502 503303797 /nfs/dbraw/zinc/30/37/97/503303797.db2.gz HZLLCCXMOHGQJC-QGZVFWFLSA-N 1 2 370.497 3.068 20 30 FGEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502901502 503303800 /nfs/dbraw/zinc/30/38/00/503303800.db2.gz HZLLCCXMOHGQJC-QGZVFWFLSA-N 1 2 370.497 3.068 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1OC ZINC000511527561 503336945 /nfs/dbraw/zinc/33/69/45/503336945.db2.gz WXTWKBNAEYDGBG-UHFFFAOYSA-N 1 2 359.495 3.034 20 30 FGEDLO CC(C)N1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000507705771 503351830 /nfs/dbraw/zinc/35/18/30/503351830.db2.gz XPHBPPVCPGCHKY-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO CC(C)N1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000507705771 503351833 /nfs/dbraw/zinc/35/18/33/503351833.db2.gz XPHBPPVCPGCHKY-UHFFFAOYSA-N 1 2 363.461 3.190 20 30 FGEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492634406 503378745 /nfs/dbraw/zinc/37/87/45/503378745.db2.gz YXTLLKJDJIXTCA-LJQANCHMSA-N 1 2 353.378 3.049 20 30 FGEDLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1[N+](=O)[O-] ZINC000492634406 503378748 /nfs/dbraw/zinc/37/87/48/503378748.db2.gz YXTLLKJDJIXTCA-LJQANCHMSA-N 1 2 353.378 3.049 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3conc3Cc3ccccc3)CC2)cc1 ZINC000515682098 503385048 /nfs/dbraw/zinc/38/50/48/503385048.db2.gz OBABCCMDGXVVCV-UHFFFAOYSA-N 1 2 372.472 3.455 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3conc3Cc3ccccc3)CC2)cc1 ZINC000515682098 503385050 /nfs/dbraw/zinc/38/50/50/503385050.db2.gz OBABCCMDGXVVCV-UHFFFAOYSA-N 1 2 372.472 3.455 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(Br)cc1 ZINC000499387933 503393709 /nfs/dbraw/zinc/39/37/09/503393709.db2.gz JNCQWXPMRJZPDM-OAHLLOKOSA-N 1 2 369.222 3.020 20 30 FGEDLO N#Cc1c(NCc2ccc[nH+]c2N2CCCC2)nc2cc(Cl)ccn21 ZINC000596356195 506370519 /nfs/dbraw/zinc/37/05/19/506370519.db2.gz HJTMWYCLVYXEGJ-UHFFFAOYSA-N 1 2 352.829 3.467 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000503695811 503461530 /nfs/dbraw/zinc/46/15/30/503461530.db2.gz KUJVJXIRWSXXCY-IAGOWNOFSA-N 1 2 365.399 3.181 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)OCC ZINC000508288726 503468864 /nfs/dbraw/zinc/46/88/64/503468864.db2.gz OBRNDTPVFJCFIU-RXVVDRJESA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)OCC ZINC000508288726 503468869 /nfs/dbraw/zinc/46/88/69/503468869.db2.gz OBRNDTPVFJCFIU-RXVVDRJESA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000512162457 503473197 /nfs/dbraw/zinc/47/31/97/503473197.db2.gz BZJPBGFRQRYROI-UHFFFAOYSA-N 1 2 373.840 3.012 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000512162457 503473202 /nfs/dbraw/zinc/47/32/02/503473202.db2.gz BZJPBGFRQRYROI-UHFFFAOYSA-N 1 2 373.840 3.012 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000512171020 503475712 /nfs/dbraw/zinc/47/57/12/503475712.db2.gz VNVWGEKMPQRBAI-HXUWFJFHSA-N 1 2 354.450 3.346 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000512171020 503475714 /nfs/dbraw/zinc/47/57/14/503475714.db2.gz VNVWGEKMPQRBAI-HXUWFJFHSA-N 1 2 354.450 3.346 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(CO)o1 ZINC000512180325 503478234 /nfs/dbraw/zinc/47/82/34/503478234.db2.gz NUHJBZSCRCWGPW-UHFFFAOYSA-N 1 2 372.509 3.235 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(CO)o1 ZINC000512180325 503478238 /nfs/dbraw/zinc/47/82/38/503478238.db2.gz NUHJBZSCRCWGPW-UHFFFAOYSA-N 1 2 372.509 3.235 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000512183590 503479410 /nfs/dbraw/zinc/47/94/10/503479410.db2.gz UZDOOGPLTQHSFJ-QGZVFWFLSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000512183590 503479413 /nfs/dbraw/zinc/47/94/13/503479413.db2.gz UZDOOGPLTQHSFJ-QGZVFWFLSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000512193441 503482043 /nfs/dbraw/zinc/48/20/43/503482043.db2.gz HYMCRHSQKGYPDA-OAHLLOKOSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000512193441 503482047 /nfs/dbraw/zinc/48/20/47/503482047.db2.gz HYMCRHSQKGYPDA-OAHLLOKOSA-N 1 2 358.438 3.186 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1C ZINC000512193961 503482425 /nfs/dbraw/zinc/48/24/25/503482425.db2.gz JIGOEHZZYPSWSV-QGZVFWFLSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1C ZINC000512193961 503482428 /nfs/dbraw/zinc/48/24/28/503482428.db2.gz JIGOEHZZYPSWSV-QGZVFWFLSA-N 1 2 356.466 3.163 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512230345 503493147 /nfs/dbraw/zinc/49/31/47/503493147.db2.gz VFURYFFPCDCLOB-INIZCTEOSA-N 1 2 374.456 3.037 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512230345 503493151 /nfs/dbraw/zinc/49/31/51/503493151.db2.gz VFURYFFPCDCLOB-INIZCTEOSA-N 1 2 374.456 3.037 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000512292379 503511457 /nfs/dbraw/zinc/51/14/57/503511457.db2.gz GZQJXHGNNIEXRC-HXUWFJFHSA-N 1 2 361.445 3.257 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000512292379 503511460 /nfs/dbraw/zinc/51/14/60/503511460.db2.gz GZQJXHGNNIEXRC-HXUWFJFHSA-N 1 2 361.445 3.257 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1=O ZINC000500007453 503532526 /nfs/dbraw/zinc/53/25/26/503532526.db2.gz IADATGCGLAHQNN-MDZRGWNJSA-N 1 2 357.498 3.246 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1=O ZINC000500007453 503532528 /nfs/dbraw/zinc/53/25/28/503532528.db2.gz IADATGCGLAHQNN-MDZRGWNJSA-N 1 2 357.498 3.246 20 30 FGEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2[nH+]1 ZINC000494402683 503536632 /nfs/dbraw/zinc/53/66/32/503536632.db2.gz JGZYSWSAMFMZCE-UHFFFAOYSA-N 1 2 351.431 3.200 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1=O ZINC000500030277 503537387 /nfs/dbraw/zinc/53/73/87/503537387.db2.gz SWMXCSHCOIIVQT-SFHVURJKSA-N 1 2 370.884 3.324 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1=O ZINC000500030277 503537392 /nfs/dbraw/zinc/53/73/92/503537392.db2.gz SWMXCSHCOIIVQT-SFHVURJKSA-N 1 2 370.884 3.324 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000512433797 503550487 /nfs/dbraw/zinc/55/04/87/503550487.db2.gz PGMVMLBJCXDYTD-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000512433797 503550491 /nfs/dbraw/zinc/55/04/91/503550491.db2.gz PGMVMLBJCXDYTD-ZDUSSCGKSA-N 1 2 364.392 3.455 20 30 FGEDLO C=C(CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)c1ccccc1 ZINC000512673593 503609559 /nfs/dbraw/zinc/60/95/59/503609559.db2.gz RIAJXKVECWQXOX-UHFFFAOYSA-N 1 2 365.477 3.236 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(C#N)c3C)CC2)c1 ZINC000512684359 503611775 /nfs/dbraw/zinc/61/17/75/503611775.db2.gz CBAFYEFNCDJPPT-QGZVFWFLSA-N 1 2 363.461 3.394 20 30 FGEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000532935019 503664174 /nfs/dbraw/zinc/66/41/74/503664174.db2.gz HGVJWGGEAYLAGY-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000532935019 503664182 /nfs/dbraw/zinc/66/41/82/503664182.db2.gz HGVJWGGEAYLAGY-UHFFFAOYSA-N 1 2 353.422 3.036 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)CCC1 ZINC000527378095 503783234 /nfs/dbraw/zinc/78/32/34/503783234.db2.gz LLYRYBUXLUEMRE-LLVKDONJSA-N 1 2 368.300 3.210 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CCC1 ZINC000527378095 503783239 /nfs/dbraw/zinc/78/32/39/503783239.db2.gz LLYRYBUXLUEMRE-LLVKDONJSA-N 1 2 368.300 3.210 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000543543732 503807705 /nfs/dbraw/zinc/80/77/05/503807705.db2.gz IWNDJGZCPTUUJT-OAHLLOKOSA-N 1 2 372.494 3.448 20 30 FGEDLO CCOc1ccc(NC(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000533402651 503833244 /nfs/dbraw/zinc/83/32/44/503833244.db2.gz KOKASZQQQXBMIX-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO CCOc1ccc(NC(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000533402651 503833251 /nfs/dbraw/zinc/83/32/51/503833251.db2.gz KOKASZQQQXBMIX-UHFFFAOYSA-N 1 2 367.449 3.044 20 30 FGEDLO Cc1sc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c(C#N)c1C ZINC000533817899 503961508 /nfs/dbraw/zinc/96/15/08/503961508.db2.gz PFRVXUAKRNXTHG-UHFFFAOYSA-N 1 2 374.535 3.054 20 30 FGEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132677 504020300 /nfs/dbraw/zinc/02/03/00/504020300.db2.gz SQONQNXCTDCSCB-IIBYNOLFSA-N 1 2 363.461 3.123 20 30 FGEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132677 504020304 /nfs/dbraw/zinc/02/03/04/504020304.db2.gz SQONQNXCTDCSCB-IIBYNOLFSA-N 1 2 363.461 3.123 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC34CCCCC4)CC2)cc1 ZINC000537795116 504045147 /nfs/dbraw/zinc/04/51/47/504045147.db2.gz LASOJYCHHPUOJS-LJQANCHMSA-N 1 2 352.482 3.108 20 30 FGEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000538150757 504146641 /nfs/dbraw/zinc/14/66/41/504146641.db2.gz LMJFNCDKPLYXSP-RDJZCZTQSA-N 1 2 359.376 3.427 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000541553795 504173830 /nfs/dbraw/zinc/17/38/30/504173830.db2.gz WELUAAMXPIZQJG-BZSNNMDCSA-N 1 2 365.905 3.366 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000541553795 504173841 /nfs/dbraw/zinc/17/38/41/504173841.db2.gz WELUAAMXPIZQJG-BZSNNMDCSA-N 1 2 365.905 3.366 20 30 FGEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 ZINC000534667345 504210526 /nfs/dbraw/zinc/21/05/26/504210526.db2.gz LTIPMUQSDXABRD-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 ZINC000534667345 504210532 /nfs/dbraw/zinc/21/05/32/504210532.db2.gz LTIPMUQSDXABRD-UHFFFAOYSA-N 1 2 354.475 3.125 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1C#N ZINC000534691468 504216129 /nfs/dbraw/zinc/21/61/29/504216129.db2.gz KZKBXPSNARVRPH-UHFFFAOYSA-N 1 2 364.474 3.499 20 30 FGEDLO C=CC[C@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544684210 504216377 /nfs/dbraw/zinc/21/63/77/504216377.db2.gz JRTVQMXDDYFCTF-NSHDSACASA-N 1 2 351.248 3.169 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000531204693 504226414 /nfs/dbraw/zinc/22/64/14/504226414.db2.gz LMVWCMFAMBJAKZ-RBUKOAKNSA-N 1 2 351.454 3.145 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccsc4)no3)CCOCC2)cc1 ZINC000528780460 504376160 /nfs/dbraw/zinc/37/61/60/504376160.db2.gz CTZVKMCAAHGLDC-UHFFFAOYSA-N 1 2 366.446 3.465 20 30 FGEDLO N#Cc1cnccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000535616058 504486278 /nfs/dbraw/zinc/48/62/78/504486278.db2.gz HRVUIGQNLAEZEB-UHFFFAOYSA-N 1 2 359.433 3.411 20 30 FGEDLO N#Cc1ccnc(N2CCN(c3[nH+]cccc3OCc3ccccc3)CC2)c1 ZINC000545445660 504489700 /nfs/dbraw/zinc/48/97/00/504489700.db2.gz FZQBGTASOLYUJQ-UHFFFAOYSA-N 1 2 371.444 3.254 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000520466575 504506741 /nfs/dbraw/zinc/50/67/41/504506741.db2.gz OZCXSGDYZVLIMJ-LBPRGKRZSA-N 1 2 374.432 3.028 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000520466575 504506746 /nfs/dbraw/zinc/50/67/46/504506746.db2.gz OZCXSGDYZVLIMJ-LBPRGKRZSA-N 1 2 374.432 3.028 20 30 FGEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000535782296 504542326 /nfs/dbraw/zinc/54/23/26/504542326.db2.gz IRWWEARTGZUSRT-UHFFFAOYSA-N 1 2 358.445 3.437 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000542610318 504551538 /nfs/dbraw/zinc/55/15/38/504551538.db2.gz KKATUIGQVKWDFO-CQSZACIVSA-N 1 2 360.433 3.259 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000539389994 504552022 /nfs/dbraw/zinc/55/20/22/504552022.db2.gz XADHBZGOAMKOCE-AZUAARDMSA-N 1 2 359.514 3.412 20 30 FGEDLO Cc1cn2cc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)ccc2[nH+]1 ZINC000548860980 504596367 /nfs/dbraw/zinc/59/63/67/504596367.db2.gz KXKPWPKZIJGGGS-UHFFFAOYSA-N 1 2 360.421 3.127 20 30 FGEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000535980923 504598962 /nfs/dbraw/zinc/59/89/62/504598962.db2.gz UWTDEKWANAAJBD-MRXNPFEDSA-N 1 2 366.417 3.007 20 30 FGEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000535980923 504598968 /nfs/dbraw/zinc/59/89/68/504598968.db2.gz UWTDEKWANAAJBD-MRXNPFEDSA-N 1 2 366.417 3.007 20 30 FGEDLO C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCSCC1 ZINC000532762319 504753411 /nfs/dbraw/zinc/75/34/11/504753411.db2.gz XGIBFZAHEIDLSU-GWCFXTLKSA-N 1 2 358.294 3.112 20 30 FGEDLO C=CCOc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1OC ZINC000529664065 504754549 /nfs/dbraw/zinc/75/45/49/504754549.db2.gz CQMVMWJOIUFGSR-UHFFFAOYSA-N 1 2 351.450 3.486 20 30 FGEDLO C=CCOc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1OC ZINC000529664065 504754552 /nfs/dbraw/zinc/75/45/52/504754552.db2.gz CQMVMWJOIUFGSR-UHFFFAOYSA-N 1 2 351.450 3.486 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000532909109 504772498 /nfs/dbraw/zinc/77/24/98/504772498.db2.gz VWGGZQFCUYFIEX-GOSISDBHSA-N 1 2 369.534 3.473 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1Cl ZINC000562376483 504799374 /nfs/dbraw/zinc/79/93/74/504799374.db2.gz PLYXZKPPXLHWLG-UHFFFAOYSA-N 1 2 368.868 3.494 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NCC1(CC#N)CC1 ZINC000562629411 504886756 /nfs/dbraw/zinc/88/67/56/504886756.db2.gz HOYFDUMLDAUZBO-INIZCTEOSA-N 1 2 351.454 3.213 20 30 FGEDLO CC[N@@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000553494232 504931334 /nfs/dbraw/zinc/93/13/34/504931334.db2.gz LOKBOTLPJLHXHS-DOTOQJQBSA-N 1 2 361.371 3.321 20 30 FGEDLO CC[N@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000553494232 504931339 /nfs/dbraw/zinc/93/13/39/504931339.db2.gz LOKBOTLPJLHXHS-DOTOQJQBSA-N 1 2 361.371 3.321 20 30 FGEDLO Cc1cc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ncc1C#N ZINC000563020887 505022825 /nfs/dbraw/zinc/02/28/25/505022825.db2.gz OGXUTDIDMNBJBM-UHFFFAOYSA-N 1 2 359.433 3.233 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560337743 505049823 /nfs/dbraw/zinc/04/98/23/505049823.db2.gz LASBKUYDULGEKX-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560337743 505049827 /nfs/dbraw/zinc/04/98/27/505049827.db2.gz LASBKUYDULGEKX-WMZOPIPTSA-N 1 2 372.831 3.229 20 30 FGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000563379464 505126294 /nfs/dbraw/zinc/12/62/94/505126294.db2.gz SGRWDQWAZWEYEL-JTQLQIEISA-N 1 2 352.316 3.040 20 30 FGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000563379464 505126298 /nfs/dbraw/zinc/12/62/98/505126298.db2.gz SGRWDQWAZWEYEL-JTQLQIEISA-N 1 2 352.316 3.040 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2scc(Br)c2c1 ZINC000566309294 505141616 /nfs/dbraw/zinc/14/16/16/505141616.db2.gz NILXVUXHGHQYFY-OAHLLOKOSA-N 1 2 366.284 3.237 20 30 FGEDLO CCCc1[nH+]c(C)cc(OCCOc2cccc(C#N)c2)c1C(=O)OC ZINC000563479824 505151725 /nfs/dbraw/zinc/15/17/25/505151725.db2.gz VCSBERRXMTYSLN-UHFFFAOYSA-N 1 2 354.406 3.459 20 30 FGEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)n1 ZINC000560714394 505167600 /nfs/dbraw/zinc/16/76/00/505167600.db2.gz AHDICMRMCBCMJT-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2cn[nH]c2C)CC1)C(C)C ZINC000554497640 505188761 /nfs/dbraw/zinc/18/87/61/505188761.db2.gz FSJFGTJQMABGNH-FQEVSTJZSA-N 1 2 373.545 3.306 20 30 FGEDLO CCn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(F)ccc21 ZINC000564028504 505306153 /nfs/dbraw/zinc/30/61/53/505306153.db2.gz AVLKUJKVAJZSRI-INIZCTEOSA-N 1 2 365.412 3.115 20 30 FGEDLO CCn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(F)ccc21 ZINC000564028504 505306156 /nfs/dbraw/zinc/30/61/56/505306156.db2.gz AVLKUJKVAJZSRI-INIZCTEOSA-N 1 2 365.412 3.115 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000564054860 505312568 /nfs/dbraw/zinc/31/25/68/505312568.db2.gz TXERUYQGHQZKIE-GHMZBOCLSA-N 1 2 373.482 3.115 20 30 FGEDLO C[C@@H]1CCC[C@H](OCc2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)C1 ZINC000567043385 505347460 /nfs/dbraw/zinc/34/74/60/505347460.db2.gz TWPRDMCKCDTHRV-QMMLZNLJSA-N 1 2 359.514 3.400 20 30 FGEDLO C[C@@H]1CCC[C@H](OCc2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)C1 ZINC000567043385 505347464 /nfs/dbraw/zinc/34/74/64/505347464.db2.gz TWPRDMCKCDTHRV-QMMLZNLJSA-N 1 2 359.514 3.400 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000555117521 505354706 /nfs/dbraw/zinc/35/47/06/505354706.db2.gz MPFAETKQQISBSW-KRWDZBQOSA-N 1 2 365.824 3.168 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC#Cc2cccc(F)c2)c1C ZINC000555210797 505380617 /nfs/dbraw/zinc/38/06/17/505380617.db2.gz FZNMGIAEJDNKFP-UHFFFAOYSA-N 1 2 355.413 3.039 20 30 FGEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1c1ncc[nH]1 ZINC000558574833 505427565 /nfs/dbraw/zinc/42/75/65/505427565.db2.gz DJSWKHWZBQUHTG-MRXNPFEDSA-N 1 2 363.387 3.179 20 30 FGEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1c1ncc[nH]1 ZINC000558574833 505427570 /nfs/dbraw/zinc/42/75/70/505427570.db2.gz DJSWKHWZBQUHTG-MRXNPFEDSA-N 1 2 363.387 3.179 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3c(C)nn(C(C)(C)C)c3C)CC2)c1C#N ZINC000564532214 505443854 /nfs/dbraw/zinc/44/38/54/505443854.db2.gz BWWFFHJLPNXKGT-UHFFFAOYSA-N 1 2 372.542 3.214 20 30 FGEDLO N#CCCn1ncc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1-c1ccccc1 ZINC000555669659 505489447 /nfs/dbraw/zinc/48/94/47/505489447.db2.gz WDSYBCJBNPQEBX-UHFFFAOYSA-N 1 2 374.448 3.207 20 30 FGEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000567661731 505528413 /nfs/dbraw/zinc/52/84/13/505528413.db2.gz ZJXWNHXBJWJSDZ-MRXNPFEDSA-N 1 2 370.526 3.144 20 30 FGEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000567661730 505528459 /nfs/dbraw/zinc/52/84/59/505528459.db2.gz ZJXWNHXBJWJSDZ-INIZCTEOSA-N 1 2 370.526 3.144 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000555900043 505536239 /nfs/dbraw/zinc/53/62/39/505536239.db2.gz AUPOLVIFCTWUDH-UHFFFAOYSA-N 1 2 350.382 3.209 20 30 FGEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000559034806 505555289 /nfs/dbraw/zinc/55/52/89/505555289.db2.gz RANZMVZCMXXCPZ-ZIAGYGMSSA-N 1 2 351.372 3.155 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120319 506404602 /nfs/dbraw/zinc/40/46/02/506404602.db2.gz OLFFMYLPJIMMCA-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120319 506404609 /nfs/dbraw/zinc/40/46/09/506404609.db2.gz OLFFMYLPJIMMCA-UHFFFAOYSA-N 1 2 350.378 3.119 20 30 FGEDLO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155576 506428828 /nfs/dbraw/zinc/42/88/28/506428828.db2.gz FKEWVHQQCZUDRM-HNNXBMFYSA-N 1 2 370.400 3.197 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000593155293 506429276 /nfs/dbraw/zinc/42/92/76/506429276.db2.gz JYRIDEXLZNTCMH-MRXNPFEDSA-N 1 2 358.269 3.112 20 30 FGEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@](C)(C#N)C2)c(C)c1 ZINC000596504680 506437369 /nfs/dbraw/zinc/43/73/69/506437369.db2.gz JYFDDVOCNBCUQM-UYAOXDASSA-N 1 2 351.454 3.186 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612159696 506465427 /nfs/dbraw/zinc/46/54/27/506465427.db2.gz XYJYAHUJBJPNPU-TZIWHRDSSA-N 1 2 355.482 3.374 20 30 FGEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612159696 506465432 /nfs/dbraw/zinc/46/54/32/506465432.db2.gz XYJYAHUJBJPNPU-TZIWHRDSSA-N 1 2 355.482 3.374 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000603271223 506471896 /nfs/dbraw/zinc/47/18/96/506471896.db2.gz NDTXMDWGLPBGAU-UHFFFAOYSA-N 1 2 350.422 3.024 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174382 506472907 /nfs/dbraw/zinc/47/29/07/506472907.db2.gz GNZJUZVBSDRUGQ-KRWDZBQOSA-N 1 2 354.381 3.137 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174382 506472909 /nfs/dbraw/zinc/47/29/09/506472909.db2.gz GNZJUZVBSDRUGQ-KRWDZBQOSA-N 1 2 354.381 3.137 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(Cc3cccc(C#N)c3)n2)O1 ZINC000596613204 506490405 /nfs/dbraw/zinc/49/04/05/506490405.db2.gz DPFFIYCYYJDORR-OXQOHEQNSA-N 1 2 374.444 3.494 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(Cc3cccc(C#N)c3)n2)O1 ZINC000596613204 506490413 /nfs/dbraw/zinc/49/04/13/506490413.db2.gz DPFFIYCYYJDORR-OXQOHEQNSA-N 1 2 374.444 3.494 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)CC3(C#N)CCCCC3)CC2)cc1F ZINC000596663497 506517790 /nfs/dbraw/zinc/51/77/90/506517790.db2.gz TWUSHXRQLXSMMN-UHFFFAOYSA-N 1 2 373.472 3.343 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000596675872 506526512 /nfs/dbraw/zinc/52/65/12/506526512.db2.gz OZKTZDXVNMJGIQ-GOSISDBHSA-N 1 2 351.454 3.254 20 30 FGEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CC2 ZINC000589362792 506528369 /nfs/dbraw/zinc/52/83/69/506528369.db2.gz WUELXDQSFTWYGY-UHFFFAOYSA-N 1 2 374.404 3.298 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624689 506537215 /nfs/dbraw/zinc/53/72/15/506537215.db2.gz WINDCBGIZIHZPQ-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO N#CC1(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCOCC1 ZINC000596701769 506547474 /nfs/dbraw/zinc/54/74/74/506547474.db2.gz LIVMVLPFWGERNF-UHFFFAOYSA-N 1 2 352.438 3.412 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679891 506576848 /nfs/dbraw/zinc/57/68/48/506576848.db2.gz ZJWWABATJSONNQ-UHFFFAOYSA-N 1 2 353.491 3.051 20 30 FGEDLO CCc1ccc(CNC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679891 506576851 /nfs/dbraw/zinc/57/68/51/506576851.db2.gz ZJWWABATJSONNQ-UHFFFAOYSA-N 1 2 353.491 3.051 20 30 FGEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685729 506580410 /nfs/dbraw/zinc/58/04/10/506580410.db2.gz IOFOFNASSXILDI-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685729 506580416 /nfs/dbraw/zinc/58/04/16/506580416.db2.gz IOFOFNASSXILDI-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593431073 506615084 /nfs/dbraw/zinc/61/50/84/506615084.db2.gz GLVODWIYUVWIAQ-UHFFFAOYSA-N 1 2 350.466 3.318 20 30 FGEDLO N#C[C@]1(F)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000589763983 506645430 /nfs/dbraw/zinc/64/54/30/506645430.db2.gz FFSBRQBDJJZCPL-LJQANCHMSA-N 1 2 353.401 3.356 20 30 FGEDLO N#CCN1CC[NH+](Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000596994362 506720385 /nfs/dbraw/zinc/72/03/85/506720385.db2.gz FYSANGBVROTBGU-UHFFFAOYSA-N 1 2 357.404 3.185 20 30 FGEDLO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(Br)c1O ZINC000612804346 506758509 /nfs/dbraw/zinc/75/85/09/506758509.db2.gz BQVXPSKMUQRCDY-UHFFFAOYSA-N 1 2 365.202 3.464 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000609125795 506782799 /nfs/dbraw/zinc/78/27/99/506782799.db2.gz ILFHAJTXGVVOAA-IBGZPJMESA-N 1 2 362.458 3.290 20 30 FGEDLO N#CC1(c2ccc(C(=O)NCCNc3ccc4ccccc4[nH+]3)cc2)CC1 ZINC000583458595 506790113 /nfs/dbraw/zinc/79/01/13/506790113.db2.gz NDRFJKUWUCXXRJ-UHFFFAOYSA-N 1 2 356.429 3.054 20 30 FGEDLO N#CCn1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc2ccccc21 ZINC000609166529 506801474 /nfs/dbraw/zinc/80/14/74/506801474.db2.gz DPUHATZCCWWXCS-UHFFFAOYSA-N 1 2 374.444 3.249 20 30 FGEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000597184673 506822246 /nfs/dbraw/zinc/82/22/46/506822246.db2.gz YGUPZQPOKFBABJ-UHFFFAOYSA-N 1 2 355.463 3.103 20 30 FGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000609484470 506896780 /nfs/dbraw/zinc/89/67/80/506896780.db2.gz KVDYJFCYBKHLAV-JOCHJYFZSA-N 1 2 363.509 3.027 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCCC2)O1 ZINC000594059739 506913303 /nfs/dbraw/zinc/91/33/03/506913303.db2.gz ZNDLMRBEPYUGAG-GOSISDBHSA-N 1 2 355.482 3.357 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC2(CCCCC2)O1 ZINC000594059739 506913307 /nfs/dbraw/zinc/91/33/07/506913307.db2.gz ZNDLMRBEPYUGAG-GOSISDBHSA-N 1 2 355.482 3.357 20 30 FGEDLO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609546960 506918403 /nfs/dbraw/zinc/91/84/03/506918403.db2.gz XSCGUHNTYQLKNS-HTAPYJJXSA-N 1 2 374.488 3.319 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754348 506939225 /nfs/dbraw/zinc/93/92/25/506939225.db2.gz ABHYPFKWBSUZPQ-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754348 506939228 /nfs/dbraw/zinc/93/92/28/506939228.db2.gz ABHYPFKWBSUZPQ-KRWDZBQOSA-N 1 2 366.465 3.166 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000600429987 506951624 /nfs/dbraw/zinc/95/16/24/506951624.db2.gz NHOJVZSRAKAJBN-MRXNPFEDSA-N 1 2 354.853 3.152 20 30 FGEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000600429987 506951630 /nfs/dbraw/zinc/95/16/30/506951630.db2.gz NHOJVZSRAKAJBN-MRXNPFEDSA-N 1 2 354.853 3.152 20 30 FGEDLO CN(C(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609800902 507007509 /nfs/dbraw/zinc/00/75/09/507007509.db2.gz VINDTEZAOZOYDD-SFHVURJKSA-N 1 2 357.523 3.461 20 30 FGEDLO CN(C(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609800902 507007515 /nfs/dbraw/zinc/00/75/15/507007515.db2.gz VINDTEZAOZOYDD-SFHVURJKSA-N 1 2 357.523 3.461 20 30 FGEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613351726 507045518 /nfs/dbraw/zinc/04/55/18/507045518.db2.gz CAQVHVHYWXUNQK-MAUKXSAKSA-N 1 2 358.486 3.178 20 30 FGEDLO C=CCn1c(SCCc2[nH+]cc(C)cc2C)nnc1-c1cnccn1 ZINC000583933701 507057684 /nfs/dbraw/zinc/05/76/84/507057684.db2.gz ONWZHCNURADSJH-UHFFFAOYSA-N 1 2 352.467 3.268 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1 ZINC000591065151 507097331 /nfs/dbraw/zinc/09/73/31/507097331.db2.gz KRXYNCJGNDILKM-HBMCJLEFSA-N 1 2 370.456 3.495 20 30 FGEDLO N#CCc1ccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000601101442 507261929 /nfs/dbraw/zinc/26/19/29/507261929.db2.gz RHWFXDXSDHRPMT-UHFFFAOYSA-N 1 2 351.450 3.076 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000610570558 507294789 /nfs/dbraw/zinc/29/47/89/507294789.db2.gz SUZYSCXISFQDOI-AWEZNQCLSA-N 1 2 352.438 3.315 20 30 FGEDLO N#CCc1cc[nH+]c(NCc2cn(-c3ccccc3Br)nn2)c1 ZINC000584502729 507380908 /nfs/dbraw/zinc/38/09/08/507380908.db2.gz SWIASROSADJBNF-UHFFFAOYSA-N 1 2 369.226 3.103 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(O)cc(C#N)c3)n2)C1 ZINC000614293730 507444003 /nfs/dbraw/zinc/44/40/03/507444003.db2.gz XQKFGZRUWNAENN-GFCCVEGCSA-N 1 2 356.451 3.205 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(O)cc(C#N)c3)n2)C1 ZINC000614293730 507444008 /nfs/dbraw/zinc/44/40/08/507444008.db2.gz XQKFGZRUWNAENN-GFCCVEGCSA-N 1 2 356.451 3.205 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000614358678 507476129 /nfs/dbraw/zinc/47/61/29/507476129.db2.gz KRPFSOXVXCUJAX-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO N#Cc1cc(O)cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000614358678 507476136 /nfs/dbraw/zinc/47/61/36/507476136.db2.gz KRPFSOXVXCUJAX-UHFFFAOYSA-N 1 2 369.852 3.265 20 30 FGEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146450 507510313 /nfs/dbraw/zinc/51/03/13/507510313.db2.gz HTIOJSOULMXDLQ-BZNIZROVSA-N 1 2 366.343 3.167 20 30 FGEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146450 507510320 /nfs/dbraw/zinc/51/03/20/507510320.db2.gz HTIOJSOULMXDLQ-BZNIZROVSA-N 1 2 366.343 3.167 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617471 507519443 /nfs/dbraw/zinc/51/94/43/507519443.db2.gz RXUCEJLJAPEGRC-GOEBONIOSA-N 1 2 372.387 3.259 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000598617471 507519450 /nfs/dbraw/zinc/51/94/50/507519450.db2.gz RXUCEJLJAPEGRC-GOEBONIOSA-N 1 2 372.387 3.259 20 30 FGEDLO C=CCC[C@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)c1ccccc1 ZINC000614466363 507526238 /nfs/dbraw/zinc/52/62/38/507526238.db2.gz OSHPQVJVXZCGLC-SFHVURJKSA-N 1 2 368.481 3.422 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502320 507531720 /nfs/dbraw/zinc/53/17/20/507531720.db2.gz SCEHLOGLUZGEOO-HOCLYGCPSA-N 1 2 352.438 3.370 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccccn3)C2)c(C#N)c1C ZINC000595502320 507531725 /nfs/dbraw/zinc/53/17/25/507531725.db2.gz SCEHLOGLUZGEOO-HOCLYGCPSA-N 1 2 352.438 3.370 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000611180867 507550930 /nfs/dbraw/zinc/55/09/30/507550930.db2.gz YSJZDMNFCAMUGB-UHFFFAOYSA-N 1 2 363.408 3.063 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000611253470 507582095 /nfs/dbraw/zinc/58/20/95/507582095.db2.gz LNRDSGVMKWEYBX-UHFFFAOYSA-N 1 2 370.497 3.093 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000611260316 507588346 /nfs/dbraw/zinc/58/83/46/507588346.db2.gz SECUJALQCGJOAR-UPHRSURJSA-N 1 2 352.413 3.398 20 30 FGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595673710 507622962 /nfs/dbraw/zinc/62/29/62/507622962.db2.gz HHNWNXPWBQEULF-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595673710 507622969 /nfs/dbraw/zinc/62/29/69/507622969.db2.gz HHNWNXPWBQEULF-OAHLLOKOSA-N 1 2 361.873 3.230 20 30 FGEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000595758799 507670688 /nfs/dbraw/zinc/67/06/88/507670688.db2.gz GQVFPTJTNLXATG-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000595758799 507670695 /nfs/dbraw/zinc/67/06/95/507670695.db2.gz GQVFPTJTNLXATG-QGZVFWFLSA-N 1 2 363.461 3.389 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc(Br)ccc2s1 ZINC000602333153 507673503 /nfs/dbraw/zinc/67/35/03/507673503.db2.gz LXLSMMFOFKASNE-OAHLLOKOSA-N 1 2 366.284 3.237 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)c(C#N)c1C ZINC000595786226 507683722 /nfs/dbraw/zinc/68/37/22/507683722.db2.gz GVZKPSHGRXLBKW-RDTXWAMCSA-N 1 2 359.470 3.376 20 30 FGEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587036156 507705506 /nfs/dbraw/zinc/70/55/06/507705506.db2.gz KNYJTUTUWQQFDF-LJQANCHMSA-N 1 2 372.428 3.079 20 30 FGEDLO N#Cc1ccc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000588064905 507750519 /nfs/dbraw/zinc/75/05/19/507750519.db2.gz RBERNCPWDUZODK-UHFFFAOYSA-N 1 2 372.226 3.212 20 30 FGEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(N)cc1 ZINC000735451204 598315559 /nfs/dbraw/zinc/31/55/59/598315559.db2.gz SZOYEBSBMKKUKH-UHFFFAOYSA-N 1 2 361.331 3.304 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801881 606452142 /nfs/dbraw/zinc/45/21/42/606452142.db2.gz PYSPUIYSXIYHGT-PKOBYXMFSA-N 1 2 362.412 3.278 20 30 FGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822801881 606452144 /nfs/dbraw/zinc/45/21/44/606452144.db2.gz PYSPUIYSXIYHGT-PKOBYXMFSA-N 1 2 362.412 3.278 20 30 FGEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000020917338 695642604 /nfs/dbraw/zinc/64/26/04/695642604.db2.gz JPSZTJVNCVLQJT-LLVKDONJSA-N 1 2 362.227 3.113 20 30 FGEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1 ZINC000047701570 695866737 /nfs/dbraw/zinc/86/67/37/695866737.db2.gz CRCDQSLIRJVJIF-UHFFFAOYSA-N 1 2 360.479 3.252 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1 ZINC000047701570 695866741 /nfs/dbraw/zinc/86/67/41/695866741.db2.gz CRCDQSLIRJVJIF-UHFFFAOYSA-N 1 2 360.479 3.252 20 30 FGEDLO Cc1csc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000088519817 700379663 /nfs/dbraw/zinc/37/96/63/700379663.db2.gz KVQFQNPLEDNOCZ-UHFFFAOYSA-N 1 2 354.435 3.263 20 30 FGEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000119900866 700642393 /nfs/dbraw/zinc/64/23/93/700642393.db2.gz VYMGROQOJWRXSA-UHFFFAOYSA-N 1 2 354.523 3.416 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](OCCOCC)C2)c1=S ZINC000138426855 704873933 /nfs/dbraw/zinc/87/39/33/704873933.db2.gz VUBKOXRJCQVZCK-INIZCTEOSA-N 1 2 361.511 3.443 20 30 FGEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](OCCOCC)C2)c1=S ZINC000138426855 704873937 /nfs/dbraw/zinc/87/39/37/704873937.db2.gz VUBKOXRJCQVZCK-INIZCTEOSA-N 1 2 361.511 3.443 20 30 FGEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000185618642 712698354 /nfs/dbraw/zinc/69/83/54/712698354.db2.gz HPMVZZRWNSHYLF-HOTGVXAUSA-N 1 2 356.495 3.313 20 30 FGEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247256173 713638271 /nfs/dbraw/zinc/63/82/71/713638271.db2.gz XLCVBAFHOYZJMJ-IEBWSBKVSA-N 1 2 357.475 3.085 20 30 FGEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000247256173 713638274 /nfs/dbraw/zinc/63/82/74/713638274.db2.gz XLCVBAFHOYZJMJ-IEBWSBKVSA-N 1 2 357.475 3.085 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)n2)C1 ZINC000328827613 713826323 /nfs/dbraw/zinc/82/63/23/713826323.db2.gz JPMMNLJGEIJZPQ-MGPQQGTHSA-N 1 2 352.504 3.030 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)n2)C1 ZINC000328827613 713826326 /nfs/dbraw/zinc/82/63/26/713826326.db2.gz JPMMNLJGEIJZPQ-MGPQQGTHSA-N 1 2 352.504 3.030 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3sc(C)nc3C)cs2)[N@H+](C)C1 ZINC000328970553 713827094 /nfs/dbraw/zinc/82/70/94/713827094.db2.gz UUVIMNAJOXHFDD-JQWIXIFHSA-N 1 2 352.485 3.191 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(-c3sc(C)nc3C)cs2)[N@@H+](C)C1 ZINC000328970553 713827098 /nfs/dbraw/zinc/82/70/98/713827098.db2.gz UUVIMNAJOXHFDD-JQWIXIFHSA-N 1 2 352.485 3.191 20 30 FGEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CCOCC1 ZINC000373843445 713876297 /nfs/dbraw/zinc/87/62/97/713876297.db2.gz FPYHBTDWJHLFLQ-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CCOCC1 ZINC000373843445 713876300 /nfs/dbraw/zinc/87/63/00/713876300.db2.gz FPYHBTDWJHLFLQ-GOSISDBHSA-N 1 2 350.409 3.439 20 30 FGEDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796149 713944307 /nfs/dbraw/zinc/94/43/07/713944307.db2.gz CIRGOOJGSNCKGJ-WMLDXEAASA-N 1 2 355.463 3.410 20 30 FGEDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000374796149 713944309 /nfs/dbraw/zinc/94/43/09/713944309.db2.gz CIRGOOJGSNCKGJ-WMLDXEAASA-N 1 2 355.463 3.410 20 30 FGEDLO N#CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000619534114 714849113 /nfs/dbraw/zinc/84/91/13/714849113.db2.gz QQXICDCLNUJSMI-UHFFFAOYSA-N 1 2 357.845 3.052 20 30 FGEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000779166420 724397642 /nfs/dbraw/zinc/39/76/42/724397642.db2.gz PVYYAYUANSBLOP-UHFFFAOYSA-N 1 2 355.869 3.065 20 30 FGEDLO CC(=O)c1ccc(C#N)c(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000631508028 716633657 /nfs/dbraw/zinc/63/36/57/716633657.db2.gz PQEMSVIMCFLKLD-UHFFFAOYSA-N 1 2 352.463 3.321 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)COC ZINC000661243444 720214143 /nfs/dbraw/zinc/21/41/43/720214143.db2.gz KDZJNOHKKGQSHQ-NSHDSACASA-N 1 2 359.239 3.050 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)COC ZINC000661243444 720214145 /nfs/dbraw/zinc/21/41/45/720214145.db2.gz KDZJNOHKKGQSHQ-NSHDSACASA-N 1 2 359.239 3.050 20 30 FGEDLO CC(C)CCc1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782948219 724711300 /nfs/dbraw/zinc/71/13/00/724711300.db2.gz IHPBPEPRGVEGNN-UHFFFAOYSA-N 1 2 367.247 3.258 20 30 FGEDLO CC(C)(C)OC(=O)CCN[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000783862072 724797453 /nfs/dbraw/zinc/79/74/53/724797453.db2.gz DPABERXLCSUHCI-UHFFFAOYSA-N 1 2 358.895 3.052 20 30 FGEDLO CN(C)c1ccc(NC(=S)NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783841699 724795443 /nfs/dbraw/zinc/79/54/43/724795443.db2.gz KFZKBCKUZZUKDP-UHFFFAOYSA-N 1 2 370.507 3.320 20 30 FGEDLO COCC#CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000677804953 721916844 /nfs/dbraw/zinc/91/68/44/721916844.db2.gz MERRHQXPBCCRRM-ZDUSSCGKSA-N 1 2 364.902 3.285 20 30 FGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1F ZINC000727650975 722446077 /nfs/dbraw/zinc/44/60/77/722446077.db2.gz DIFIOJCXAGYFRS-UHFFFAOYSA-N 1 2 371.384 3.334 20 30 FGEDLO C=C(Br)C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000731104009 722473360 /nfs/dbraw/zinc/47/33/60/722473360.db2.gz SDHBGQMPTRJLRW-INIZCTEOSA-N 1 2 353.304 3.118 20 30 FGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000731104009 722473361 /nfs/dbraw/zinc/47/33/61/722473361.db2.gz SDHBGQMPTRJLRW-INIZCTEOSA-N 1 2 353.304 3.118 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745089820 722583446 /nfs/dbraw/zinc/58/34/46/722583446.db2.gz ROEIBNJWCSTYLJ-DOTOQJQBSA-N 1 2 364.511 3.069 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745089820 722583447 /nfs/dbraw/zinc/58/34/47/722583447.db2.gz ROEIBNJWCSTYLJ-DOTOQJQBSA-N 1 2 364.511 3.069 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000746487498 722604631 /nfs/dbraw/zinc/60/46/31/722604631.db2.gz KHZABCSOACMYKG-MRXNPFEDSA-N 1 2 355.356 3.164 20 30 FGEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000746487498 722604632 /nfs/dbraw/zinc/60/46/32/722604632.db2.gz KHZABCSOACMYKG-MRXNPFEDSA-N 1 2 355.356 3.164 20 30 FGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c2cc(Br)ccc2oc1=O ZINC000749940056 722748838 /nfs/dbraw/zinc/74/88/38/722748838.db2.gz DBIKQCNGCAZWRF-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c2cc(Br)ccc2oc1=O ZINC000749940056 722748839 /nfs/dbraw/zinc/74/88/39/722748839.db2.gz DBIKQCNGCAZWRF-UHFFFAOYSA-N 1 2 372.222 3.318 20 30 FGEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1=O ZINC000758183733 722985742 /nfs/dbraw/zinc/98/57/42/722985742.db2.gz ZLQCDDRWWODAHJ-OAHLLOKOSA-N 1 2 350.447 3.167 20 30 FGEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1=O ZINC000758183733 722985743 /nfs/dbraw/zinc/98/57/43/722985743.db2.gz ZLQCDDRWWODAHJ-OAHLLOKOSA-N 1 2 350.447 3.167 20 30 FGEDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)NCc1ccc(F)cc1C(F)(F)F ZINC000761057344 723117676 /nfs/dbraw/zinc/11/76/76/723117676.db2.gz QAVKRPAKCPJSLS-SNVBAGLBSA-N 1 2 372.284 3.345 20 30 FGEDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)NCc1ccc(F)cc1C(F)(F)F ZINC000761057344 723117684 /nfs/dbraw/zinc/11/76/84/723117684.db2.gz QAVKRPAKCPJSLS-SNVBAGLBSA-N 1 2 372.284 3.345 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[C@H](C)[N@@H+](C)C3)cc2)cc1 ZINC000761800882 723184870 /nfs/dbraw/zinc/18/48/70/723184870.db2.gz HLDOESHBXNAOHI-HNNXBMFYSA-N 1 2 357.479 3.320 20 30 FGEDLO Cc1ccc(S(=O)(=O)c2ccc(N=NC3C[C@H](C)[N@H+](C)C3)cc2)cc1 ZINC000761800882 723184872 /nfs/dbraw/zinc/18/48/72/723184872.db2.gz HLDOESHBXNAOHI-HNNXBMFYSA-N 1 2 357.479 3.320 20 30 FGEDLO CC(C)(C)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(F)cc1)c1cccs1 ZINC000762666906 723268535 /nfs/dbraw/zinc/26/85/35/723268535.db2.gz YUWPDDDPYDGGCT-INIZCTEOSA-N 1 2 363.458 3.428 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792916492 723382249 /nfs/dbraw/zinc/38/22/49/723382249.db2.gz YAIALQUFQKCVHA-DIOULYMOSA-N 1 2 352.265 3.401 20 30 FGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792916492 723382253 /nfs/dbraw/zinc/38/22/53/723382253.db2.gz YAIALQUFQKCVHA-DIOULYMOSA-N 1 2 352.265 3.401 20 30 FGEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000765253864 723498406 /nfs/dbraw/zinc/49/84/06/723498406.db2.gz XCNKLUFSAUOVKI-CYBMUJFWSA-N 1 2 355.195 3.091 20 30 FGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000794701589 723541752 /nfs/dbraw/zinc/54/17/52/723541752.db2.gz LJPHZQIIEGMYEX-BQYQJAHWSA-N 1 2 355.463 3.331 20 30 FGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(Br)nc1 ZINC000794913531 723551609 /nfs/dbraw/zinc/55/16/09/723551609.db2.gz WNCWJEXTKWLMHB-UHFFFAOYSA-N 1 2 371.242 3.366 20 30 FGEDLO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796557047 723643570 /nfs/dbraw/zinc/64/35/70/723643570.db2.gz BBXQQNIYWCNWDJ-FUHWJXTLSA-N 1 2 350.846 3.012 20 30 FGEDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCOC2)O1 ZINC000796557047 723643571 /nfs/dbraw/zinc/64/35/71/723643571.db2.gz BBXQQNIYWCNWDJ-FUHWJXTLSA-N 1 2 350.846 3.012 20 30 FGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000769962791 723702051 /nfs/dbraw/zinc/70/20/51/723702051.db2.gz KURDGIJPYXPVSR-UKRRQHHQSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000769962791 723702052 /nfs/dbraw/zinc/70/20/52/723702052.db2.gz KURDGIJPYXPVSR-UKRRQHHQSA-N 1 2 357.504 3.441 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCCO1 ZINC000775348536 723984841 /nfs/dbraw/zinc/98/48/41/723984841.db2.gz KSMOZHPPWNRWSO-ZBFHGGJFSA-N 1 2 360.255 3.110 20 30 FGEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1O ZINC000775662333 724018717 /nfs/dbraw/zinc/01/87/17/724018717.db2.gz VSLGAMQEQDPMSE-UHFFFAOYSA-N 1 2 357.841 3.121 20 30 FGEDLO C#Cc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000787773713 725038105 /nfs/dbraw/zinc/03/81/05/725038105.db2.gz DLSRTYUGEJOUMZ-KRWDZBQOSA-N 1 2 357.251 3.089 20 30 FGEDLO C#Cc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000787773713 725038106 /nfs/dbraw/zinc/03/81/06/725038106.db2.gz DLSRTYUGEJOUMZ-KRWDZBQOSA-N 1 2 357.251 3.089 20 30 FGEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000787997002 725041338 /nfs/dbraw/zinc/04/13/38/725041338.db2.gz DWHIQNXUSQEOFG-OAHLLOKOSA-N 1 2 355.463 3.362 20 30 FGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000787997002 725041339 /nfs/dbraw/zinc/04/13/39/725041339.db2.gz DWHIQNXUSQEOFG-OAHLLOKOSA-N 1 2 355.463 3.362 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C3CCCCC3)CC2)nc1 ZINC000808710996 725214618 /nfs/dbraw/zinc/21/46/18/725214618.db2.gz SBIIRBNAIWWPMP-UHFFFAOYSA-N 1 2 361.511 3.019 20 30 FGEDLO CCCCCCCCc1nnc(NC(=O)NCc2c[nH+]cn2C)s1 ZINC000809870214 725274490 /nfs/dbraw/zinc/27/44/90/725274490.db2.gz HPSUSKFANKVNQD-UHFFFAOYSA-N 1 2 350.492 3.496 20 30 FGEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000810425391 725307134 /nfs/dbraw/zinc/30/71/34/725307134.db2.gz MQQRFJHBGMFUFX-UHFFFAOYSA-N 1 2 352.503 3.179 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000819283112 727364320 /nfs/dbraw/zinc/36/43/20/727364320.db2.gz CTJPBTQQGFUVPX-UHFFFAOYSA-N 1 2 368.915 3.119 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000824866816 729362893 /nfs/dbraw/zinc/36/28/93/729362893.db2.gz ICAVWOPDOKHUNQ-ZDUSSCGKSA-N 1 2 365.271 3.331 20 30 FGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000847023168 731008112 /nfs/dbraw/zinc/00/81/12/731008112.db2.gz BDVQNOJDCAHZOU-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000847023168 731008117 /nfs/dbraw/zinc/00/81/17/731008117.db2.gz BDVQNOJDCAHZOU-SNVBAGLBSA-N 1 2 352.257 3.406 20 30 FGEDLO Clc1ccc(OC[C@H]2CCCO2)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848418246 731162119 /nfs/dbraw/zinc/16/21/19/731162119.db2.gz LJXRBVLJFRPXNW-QGZVFWFLSA-N 1 2 362.861 3.108 20 30 FGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333516 731570948 /nfs/dbraw/zinc/57/09/48/731570948.db2.gz OEMZATURGHHYGW-ICSRJNTNSA-N 1 2 355.869 3.196 20 30 FGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000852333516 731570949 /nfs/dbraw/zinc/57/09/49/731570949.db2.gz OEMZATURGHHYGW-ICSRJNTNSA-N 1 2 355.869 3.196 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000876531800 736110767 /nfs/dbraw/zinc/11/07/67/736110767.db2.gz PLSCXGBCXVXUIT-KRWDZBQOSA-N 1 2 357.841 3.493 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000876531800 736110772 /nfs/dbraw/zinc/11/07/72/736110772.db2.gz PLSCXGBCXVXUIT-KRWDZBQOSA-N 1 2 357.841 3.493 20 30 FGEDLO Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1Br ZINC000878802045 736920157 /nfs/dbraw/zinc/92/01/57/736920157.db2.gz ALDOXYGHDPVODK-CYBMUJFWSA-N 1 2 366.284 3.251 20 30 FGEDLO Cc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)sc1Br ZINC000878802045 736920159 /nfs/dbraw/zinc/92/01/59/736920159.db2.gz ALDOXYGHDPVODK-CYBMUJFWSA-N 1 2 366.284 3.251 20 30 FGEDLO Cc1csc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007640 737098147 /nfs/dbraw/zinc/09/81/47/737098147.db2.gz KQXNJFYNODSDSW-OCCSQVGLSA-N 1 2 358.467 3.350 20 30 FGEDLO Cc1csc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000880007640 737098150 /nfs/dbraw/zinc/09/81/50/737098150.db2.gz KQXNJFYNODSDSW-OCCSQVGLSA-N 1 2 358.467 3.350 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000880479867 737179329 /nfs/dbraw/zinc/17/93/29/737179329.db2.gz ANXHHPIDCHMOFG-GFCCVEGCSA-N 1 2 355.265 3.171 20 30 FGEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000880480576 737179652 /nfs/dbraw/zinc/17/96/52/737179652.db2.gz XVSMQXFPVQXAEY-LBPRGKRZSA-N 1 2 355.265 3.171 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)CCC1 ZINC000886081833 739215047 /nfs/dbraw/zinc/21/50/47/739215047.db2.gz ZBNLPNAXHFFICH-LBPRGKRZSA-N 1 2 355.301 3.314 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3sc(Br)cc3C2)CCC1 ZINC000886081833 739215054 /nfs/dbraw/zinc/21/50/54/739215054.db2.gz ZBNLPNAXHFFICH-LBPRGKRZSA-N 1 2 355.301 3.314 20 30 FGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CCCOC)c1ccc(Br)cc1 ZINC000894870086 742345388 /nfs/dbraw/zinc/34/53/88/742345388.db2.gz IQEZRMRNGREVDZ-QGZVFWFLSA-N 1 2 362.271 3.146 20 30 FGEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(CCC#N)CC1 ZINC000895843654 742460931 /nfs/dbraw/zinc/46/09/31/742460931.db2.gz AAHLBNFQBLPYCN-UHFFFAOYSA-N 1 2 350.488 3.126 20 30 FGEDLO Cc1nc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc[nH+]1 ZINC000896392499 742544246 /nfs/dbraw/zinc/54/42/46/742544246.db2.gz GEUQIEUKUPFCAI-HTQZYQBOSA-N 1 2 361.236 3.392 20 30 FGEDLO C/C(=C/C(=O)Nc1ccccc1SC[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000900631235 743139540 /nfs/dbraw/zinc/13/95/40/743139540.db2.gz YUJBVPJOBYKHLX-QZFKAFNDSA-N 1 2 359.495 3.155 20 30 FGEDLO CC(=NNCCCn1cc[nH+]c1)c1ncc(Br)cc1Cl ZINC000901261768 743243760 /nfs/dbraw/zinc/24/37/60/743243760.db2.gz OASBVAAARAPSSC-UHFFFAOYSA-N 1 2 356.655 3.098 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)CC1(C)C ZINC000941039793 762171196 /nfs/dbraw/zinc/17/11/96/762171196.db2.gz UBJQJRSLQWWEQY-WUXJZVNYSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)CC1(C)C ZINC000941039793 762171201 /nfs/dbraw/zinc/17/12/01/762171201.db2.gz UBJQJRSLQWWEQY-WUXJZVNYSA-N 1 2 361.313 3.113 20 30 FGEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000920936854 758622700 /nfs/dbraw/zinc/62/27/00/758622700.db2.gz IBFAGPBLZZYTJF-UHFFFAOYSA-N 1 2 355.467 3.322 20 30 FGEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927268564 759939392 /nfs/dbraw/zinc/93/93/92/759939392.db2.gz ZAGFNQSDYIDRGP-KOLCDFICSA-N 1 2 373.272 3.270 20 30 FGEDLO FC(F)C(F)(F)CN1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929651366 760426683 /nfs/dbraw/zinc/42/66/83/760426683.db2.gz WGOQVHIKYMFVKY-WDEREUQCSA-N 1 2 366.321 3.004 20 30 FGEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCSCC1 ZINC000932230143 761098669 /nfs/dbraw/zinc/09/86/69/761098669.db2.gz ZTYNGALABAEAHV-UHFFFAOYSA-N 1 2 358.511 3.115 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932363801 761149166 /nfs/dbraw/zinc/14/91/66/761149166.db2.gz KDMPWDCEFDOARX-SFHVURJKSA-N 1 2 354.479 3.434 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129552 761324754 /nfs/dbraw/zinc/32/47/54/761324754.db2.gz KUFJDOSZLIQMAU-MAUKXSAKSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129552 761324765 /nfs/dbraw/zinc/32/47/65/761324765.db2.gz KUFJDOSZLIQMAU-MAUKXSAKSA-N 1 2 355.463 3.102 20 30 FGEDLO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC000933182450 761334197 /nfs/dbraw/zinc/33/41/97/761334197.db2.gz WYMALDRIRSDEPT-BHIYHBOVSA-N 1 2 361.869 3.124 20 30 FGEDLO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC000933182450 761334209 /nfs/dbraw/zinc/33/42/09/761334209.db2.gz WYMALDRIRSDEPT-BHIYHBOVSA-N 1 2 361.869 3.124 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)c(OC)c1 ZINC000933775667 761472334 /nfs/dbraw/zinc/47/23/34/761472334.db2.gz KYDURNCVFXZQPT-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c(OC)c1 ZINC000933775667 761472339 /nfs/dbraw/zinc/47/23/39/761472339.db2.gz KYDURNCVFXZQPT-LBPRGKRZSA-N 1 2 359.451 3.096 20 30 FGEDLO C[C@@H](NC(=O)[C@]12C[C@H]1CCC2)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000970187253 762869545 /nfs/dbraw/zinc/86/95/45/762869545.db2.gz KJSNDYQIUHYCEQ-FQELHTAISA-N 1 2 356.897 3.318 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000970448076 762875191 /nfs/dbraw/zinc/87/51/91/762875191.db2.gz VIKNDOWWFNHCHU-NJAPINKUSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000970448078 762875387 /nfs/dbraw/zinc/87/53/87/762875387.db2.gz VIKNDOWWFNHCHU-XZOAIXRZSA-N 1 2 366.864 3.007 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC000974586377 763033730 /nfs/dbraw/zinc/03/37/30/763033730.db2.gz DWJDBYXUMOJREC-HZSPNIEDSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC000974586377 763033740 /nfs/dbraw/zinc/03/37/40/763033740.db2.gz DWJDBYXUMOJREC-HZSPNIEDSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977317102 763354704 /nfs/dbraw/zinc/35/47/04/763354704.db2.gz OCBLWHCWMNUVTO-KURKYZTESA-N 1 2 362.901 3.343 20 30 FGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977317102 763354714 /nfs/dbraw/zinc/35/47/14/763354714.db2.gz OCBLWHCWMNUVTO-KURKYZTESA-N 1 2 362.901 3.343 20 30 FGEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001007987076 765631738 /nfs/dbraw/zinc/63/17/38/765631738.db2.gz BJFMMDHZTJKVSM-YFVAEKQCSA-N 1 2 356.897 3.462 20 30 FGEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1CCC2 ZINC001007987076 765631746 /nfs/dbraw/zinc/63/17/46/765631746.db2.gz BJFMMDHZTJKVSM-YFVAEKQCSA-N 1 2 356.897 3.462 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001008557142 765675179 /nfs/dbraw/zinc/67/51/79/765675179.db2.gz AVAUSMUZEPSQJQ-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001008557142 765675183 /nfs/dbraw/zinc/67/51/83/765675183.db2.gz AVAUSMUZEPSQJQ-JZXOWHBKSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001015828332 765810705 /nfs/dbraw/zinc/81/07/05/765810705.db2.gz DSWBRZUEAQGROW-DEYYWGMASA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001015828332 765810708 /nfs/dbraw/zinc/81/07/08/765810708.db2.gz DSWBRZUEAQGROW-DEYYWGMASA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001032409931 766195725 /nfs/dbraw/zinc/19/57/25/766195725.db2.gz HRTYLKJJMKEOAG-OKYOBFRVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(Cl)cc1 ZINC001032409931 766195732 /nfs/dbraw/zinc/19/57/32/766195732.db2.gz HRTYLKJJMKEOAG-OKYOBFRVSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001033433378 766216375 /nfs/dbraw/zinc/21/63/75/766216375.db2.gz VQNLLCAGGOIZPT-DAYGRLMNSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001033433378 766216380 /nfs/dbraw/zinc/21/63/80/766216380.db2.gz VQNLLCAGGOIZPT-DAYGRLMNSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001045444587 766537567 /nfs/dbraw/zinc/53/75/67/766537567.db2.gz QDYYTIBCWCDHRO-OWCLPIDISA-N 1 2 367.331 3.468 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001046480345 766590214 /nfs/dbraw/zinc/59/02/14/766590214.db2.gz PNWIYQWJAFOASI-VDGAXYAQSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001046480345 766590221 /nfs/dbraw/zinc/59/02/21/766590221.db2.gz PNWIYQWJAFOASI-VDGAXYAQSA-N 1 2 360.885 3.060 20 30 FGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001046508481 766593840 /nfs/dbraw/zinc/59/38/40/766593840.db2.gz SJUYNDFPUBGICE-NLWGTHIKSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001046508481 766593843 /nfs/dbraw/zinc/59/38/43/766593843.db2.gz SJUYNDFPUBGICE-NLWGTHIKSA-N 1 2 361.917 3.189 20 30 FGEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001055619184 767301173 /nfs/dbraw/zinc/30/11/73/767301173.db2.gz OAVJFSAWMSTNAS-CHWSQXEVSA-N 1 2 356.392 3.189 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000249026123 257371203 /nfs/dbraw/zinc/37/12/03/257371203.db2.gz LKBQIPRJIKJAJB-PVAVHDDUSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000249026123 257371205 /nfs/dbraw/zinc/37/12/05/257371205.db2.gz LKBQIPRJIKJAJB-PVAVHDDUSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000249026120 257371258 /nfs/dbraw/zinc/37/12/58/257371258.db2.gz LKBQIPRJIKJAJB-HYVNUMGLSA-N 1 2 365.271 3.089 20 30 FGEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000249026120 257371259 /nfs/dbraw/zinc/37/12/59/257371259.db2.gz LKBQIPRJIKJAJB-HYVNUMGLSA-N 1 2 365.271 3.089 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000105796301 222377052 /nfs/dbraw/zinc/37/70/52/222377052.db2.gz GYQPEXGHYRMLFY-UHFFFAOYSA-N 1 2 372.472 3.468 20 30 FGEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)c1 ZINC000105796301 222377054 /nfs/dbraw/zinc/37/70/54/222377054.db2.gz GYQPEXGHYRMLFY-UHFFFAOYSA-N 1 2 372.472 3.468 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](Nc1ncc2c(c1C#N)CCC2)C1CCOCC1 ZINC000573678162 505594857 /nfs/dbraw/zinc/59/48/57/505594857.db2.gz BIMVSYUWQVSPGS-SFHVURJKSA-N 1 2 351.454 3.238 20 30 FGEDLO Cc1cc2[nH+]cn(C[C@H](O)CSCc3nc(C#N)cs3)c2cc1C ZINC000579692234 505603647 /nfs/dbraw/zinc/60/36/47/505603647.db2.gz VSRSRAUZTCAUGT-AWEZNQCLSA-N 1 2 358.492 3.276 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068252129 493785055 /nfs/dbraw/zinc/78/50/55/493785055.db2.gz GYYDYSMRSPDKBY-OAQYLSRUSA-N 1 2 363.461 3.094 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1F ZINC000048255625 493808520 /nfs/dbraw/zinc/80/85/20/493808520.db2.gz QDHUJLYXYGPZRP-SFHVURJKSA-N 1 2 363.396 3.020 20 30 FGEDLO N#CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000057906485 493814142 /nfs/dbraw/zinc/81/41/42/493814142.db2.gz XWJDNVGRRLIZME-LJQANCHMSA-N 1 2 357.454 3.328 20 30 FGEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc3n2CCCCC3)ccc1OC ZINC000057959434 493817253 /nfs/dbraw/zinc/81/72/53/493817253.db2.gz ZCMAUZAYAZHCKX-UHFFFAOYSA-N 1 2 356.470 3.258 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(C#N)c1C ZINC000571222416 505683063 /nfs/dbraw/zinc/68/30/63/505683063.db2.gz DIXYFONSCMSKQH-OAHLLOKOSA-N 1 2 354.479 3.368 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(C#N)c1C ZINC000571222416 505683067 /nfs/dbraw/zinc/68/30/67/505683067.db2.gz DIXYFONSCMSKQH-OAHLLOKOSA-N 1 2 354.479 3.368 20 30 FGEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCCCC1 ZINC000050231502 493905954 /nfs/dbraw/zinc/90/59/54/493905954.db2.gz QAABFIAXFBWUCA-LJQANCHMSA-N 1 2 373.472 3.149 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCCCC1 ZINC000050231502 493905955 /nfs/dbraw/zinc/90/59/55/493905955.db2.gz QAABFIAXFBWUCA-LJQANCHMSA-N 1 2 373.472 3.149 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069072176 493916482 /nfs/dbraw/zinc/91/64/82/493916482.db2.gz YXLYSGXNWBQOBS-SFHVURJKSA-N 1 2 365.477 3.226 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069072176 493916486 /nfs/dbraw/zinc/91/64/86/493916486.db2.gz YXLYSGXNWBQOBS-SFHVURJKSA-N 1 2 365.477 3.226 20 30 FGEDLO CCOC(=O)C[N@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000060269541 493920449 /nfs/dbraw/zinc/92/04/49/493920449.db2.gz HPYVOYWRRYWTNC-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO CCOC(=O)C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000060269541 493920453 /nfs/dbraw/zinc/92/04/53/493920453.db2.gz HPYVOYWRRYWTNC-UHFFFAOYSA-N 1 2 356.397 3.141 20 30 FGEDLO Cc1nc2ccccc2nc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000060935491 493959372 /nfs/dbraw/zinc/95/93/72/493959372.db2.gz LIZBISSDLJTUKN-UHFFFAOYSA-N 1 2 357.461 3.128 20 30 FGEDLO Cc1nc2ccccc2nc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060935491 493959374 /nfs/dbraw/zinc/95/93/74/493959374.db2.gz LIZBISSDLJTUKN-UHFFFAOYSA-N 1 2 357.461 3.128 20 30 FGEDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000032244178 493977928 /nfs/dbraw/zinc/97/79/28/493977928.db2.gz OFQPUFPGFIHCRV-CYBMUJFWSA-N 1 2 361.361 3.143 20 30 FGEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cc1 ZINC000051781196 493986677 /nfs/dbraw/zinc/98/66/77/493986677.db2.gz JERDAJXOGHYIPH-UHFFFAOYSA-N 1 2 372.384 3.000 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000076965321 493999274 /nfs/dbraw/zinc/99/92/74/493999274.db2.gz XGKXYWWFRSGUKJ-HNNXBMFYSA-N 1 2 366.465 3.165 20 30 FGEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2n1C ZINC000083577572 494024257 /nfs/dbraw/zinc/02/42/57/494024257.db2.gz OEQZJRYGAHZWDF-UHFFFAOYSA-N 1 2 360.826 3.208 20 30 FGEDLO COCC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754574 494084087 /nfs/dbraw/zinc/08/40/87/494084087.db2.gz VSKGRXYDSJGKGH-UHFFFAOYSA-N 1 2 365.477 3.448 20 30 FGEDLO COCC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754574 494084091 /nfs/dbraw/zinc/08/40/91/494084091.db2.gz VSKGRXYDSJGKGH-UHFFFAOYSA-N 1 2 365.477 3.448 20 30 FGEDLO COc1ccc(OC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000039304016 494121090 /nfs/dbraw/zinc/12/10/90/494121090.db2.gz JDAZHYIALCHRCB-UHFFFAOYSA-N 1 2 371.462 3.110 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000064742650 494146767 /nfs/dbraw/zinc/14/67/67/494146767.db2.gz FCPQAYPZVXVLGW-UHFFFAOYSA-N 1 2 365.437 3.274 20 30 FGEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000054009761 494184926 /nfs/dbraw/zinc/18/49/26/494184926.db2.gz QCNTVEBBFJXRLN-SFHVURJKSA-N 1 2 372.469 3.134 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000054391098 494229540 /nfs/dbraw/zinc/22/95/40/494229540.db2.gz ZZMWTQNVLOJAEG-UHFFFAOYSA-N 1 2 360.483 3.046 20 30 FGEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c2ccccc2n1 ZINC000078265351 494266468 /nfs/dbraw/zinc/26/64/68/494266468.db2.gz BCCBDTGLXFGEKH-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC000054852257 494278852 /nfs/dbraw/zinc/27/88/52/494278852.db2.gz GMWRQFCPDMRWER-UHFFFAOYSA-N 1 2 358.445 3.008 20 30 FGEDLO CSc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000072920111 494284200 /nfs/dbraw/zinc/28/42/00/494284200.db2.gz GGNFQKKJVMCGFV-JTQLQIEISA-N 1 2 364.496 3.032 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCC2)CC1 ZINC000577355852 505711151 /nfs/dbraw/zinc/71/11/51/505711151.db2.gz DZPQCTJECUJFGF-ZDUSSCGKSA-N 1 2 373.522 3.469 20 30 FGEDLO C=CC[N@H+](CCCOc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000066559752 494355182 /nfs/dbraw/zinc/35/51/82/494355182.db2.gz UIDGMLNOAHNDBT-SFHVURJKSA-N 1 2 359.491 3.284 20 30 FGEDLO C=CC[N@@H+](CCCOc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000066559752 494355184 /nfs/dbraw/zinc/35/51/84/494355184.db2.gz UIDGMLNOAHNDBT-SFHVURJKSA-N 1 2 359.491 3.284 20 30 FGEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000066563271 494356254 /nfs/dbraw/zinc/35/62/54/494356254.db2.gz AUJDOYQQLRPULW-CQSZACIVSA-N 1 2 360.458 3.358 20 30 FGEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000066563271 494356256 /nfs/dbraw/zinc/35/62/56/494356256.db2.gz AUJDOYQQLRPULW-CQSZACIVSA-N 1 2 360.458 3.358 20 30 FGEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697141 494391195 /nfs/dbraw/zinc/39/11/95/494391195.db2.gz XLMCPGXLKACHOZ-OAQYLSRUSA-N 1 2 374.444 3.464 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000073601784 494397414 /nfs/dbraw/zinc/39/74/14/494397414.db2.gz BNCIKHBKZQELGP-INIZCTEOSA-N 1 2 366.440 3.041 20 30 FGEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000045231964 494408669 /nfs/dbraw/zinc/40/86/69/494408669.db2.gz LEKZPIVQMNXEQW-LJQANCHMSA-N 1 2 359.433 3.223 20 30 FGEDLO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000055816783 494410309 /nfs/dbraw/zinc/41/03/09/494410309.db2.gz VXOILWFHEGIXRV-UHFFFAOYSA-N 1 2 352.434 3.336 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017843282 494418168 /nfs/dbraw/zinc/41/81/68/494418168.db2.gz SVCBLZWLBIBGKL-UHFFFAOYSA-N 1 2 363.505 3.419 20 30 FGEDLO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843229 494418665 /nfs/dbraw/zinc/41/86/65/494418665.db2.gz IVUYGHSTZIWXML-UHFFFAOYSA-N 1 2 363.461 3.303 20 30 FGEDLO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000045808428 494465319 /nfs/dbraw/zinc/46/53/19/494465319.db2.gz JDBVWPLTAKJVNS-QGZVFWFLSA-N 1 2 373.460 3.487 20 30 FGEDLO Cc1cccc([C@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCOCC2)c1 ZINC000067350868 494519085 /nfs/dbraw/zinc/51/90/85/494519085.db2.gz KIONHIWEBLXIAI-SFHVURJKSA-N 1 2 356.857 3.401 20 30 FGEDLO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258321 494558210 /nfs/dbraw/zinc/55/82/10/494558210.db2.gz KDGFIMZKNVMZAL-GOSISDBHSA-N 1 2 362.477 3.012 20 30 FGEDLO Cc1nc(SCC(=O)NCc2[nH+]ccn2CC(C)C)c(C#N)c(C)c1C ZINC000131341547 494588925 /nfs/dbraw/zinc/58/89/25/494588925.db2.gz BERWIZYCFNENEJ-UHFFFAOYSA-N 1 2 371.510 3.140 20 30 FGEDLO Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000092355609 494606165 /nfs/dbraw/zinc/60/61/65/494606165.db2.gz VRTFXIXUILYBBJ-IBGZPJMESA-N 1 2 370.416 3.197 20 30 FGEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000092761770 494740626 /nfs/dbraw/zinc/74/06/26/494740626.db2.gz DYXHXOSBOFLNDP-UHFFFAOYSA-N 1 2 352.438 3.143 20 30 FGEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000092761770 494740637 /nfs/dbraw/zinc/74/06/37/494740637.db2.gz DYXHXOSBOFLNDP-UHFFFAOYSA-N 1 2 352.438 3.143 20 30 FGEDLO C[C@@H]1CN(c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)C[C@H](C)O1 ZINC000092118051 494796005 /nfs/dbraw/zinc/79/60/05/494796005.db2.gz BPUIPPNNWQHEKV-IYBDPMFKSA-N 1 2 361.449 3.432 20 30 FGEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000108869415 494796264 /nfs/dbraw/zinc/79/62/64/494796264.db2.gz MDNARJVQGJALDX-NRFANRHFSA-N 1 2 362.477 3.445 20 30 FGEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000108869415 494796267 /nfs/dbraw/zinc/79/62/67/494796267.db2.gz MDNARJVQGJALDX-NRFANRHFSA-N 1 2 362.477 3.445 20 30 FGEDLO N#Cc1c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn2ccccc12 ZINC000075698757 494817280 /nfs/dbraw/zinc/81/72/80/494817280.db2.gz VLLCAPVOQXBILW-UHFFFAOYSA-N 1 2 359.408 3.144 20 30 FGEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328553 494819333 /nfs/dbraw/zinc/81/93/33/494819333.db2.gz HUYZQTCNGPBVEX-CQSZACIVSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328553 494819336 /nfs/dbraw/zinc/81/93/36/494819336.db2.gz HUYZQTCNGPBVEX-CQSZACIVSA-N 1 2 359.437 3.262 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000121761358 494855061 /nfs/dbraw/zinc/85/50/61/494855061.db2.gz HLHQMBWWUGMTJR-INIZCTEOSA-N 1 2 353.447 3.296 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000121761358 494855065 /nfs/dbraw/zinc/85/50/65/494855065.db2.gz HLHQMBWWUGMTJR-INIZCTEOSA-N 1 2 353.447 3.296 20 30 FGEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000132376404 494864488 /nfs/dbraw/zinc/86/44/88/494864488.db2.gz XPGFLHOTSIMAJW-UHFFFAOYSA-N 1 2 355.341 3.187 20 30 FGEDLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093643497 494907426 /nfs/dbraw/zinc/90/74/26/494907426.db2.gz GDLPBFNUCWPEKF-UHFFFAOYSA-N 1 2 372.490 3.004 20 30 FGEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000093643497 494907427 /nfs/dbraw/zinc/90/74/27/494907427.db2.gz GDLPBFNUCWPEKF-UHFFFAOYSA-N 1 2 372.490 3.004 20 30 FGEDLO N#Cc1ccc2nc(N(CC[NH+]3CCOCC3)Cc3ccco3)ccc2c1 ZINC000580397473 505749579 /nfs/dbraw/zinc/74/95/79/505749579.db2.gz ZDSBPHDMWVLLMN-UHFFFAOYSA-N 1 2 362.433 3.038 20 30 FGEDLO CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093844779 494927163 /nfs/dbraw/zinc/92/71/63/494927163.db2.gz AIACMSHUDCYHDY-IBGZPJMESA-N 1 2 362.433 3.332 20 30 FGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000122205390 494940241 /nfs/dbraw/zinc/94/02/41/494940241.db2.gz BLMUNWCFVLTMOG-FQEVSTJZSA-N 1 2 351.425 3.281 20 30 FGEDLO N#Cc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000097472767 495035704 /nfs/dbraw/zinc/03/57/04/495035704.db2.gz XWGCJZYZFOBZOH-UHFFFAOYSA-N 1 2 353.401 3.404 20 30 FGEDLO C=CCOc1ccccc1CNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000111465223 495079133 /nfs/dbraw/zinc/07/91/33/495079133.db2.gz FTPFDGHKQRXGJR-UHFFFAOYSA-N 1 2 368.481 3.492 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000571577502 505765107 /nfs/dbraw/zinc/76/51/07/505765107.db2.gz WPQKAQKXRVLSGO-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)ccc1F ZINC000129211009 495211341 /nfs/dbraw/zinc/21/13/41/495211341.db2.gz CVDVZVWDSRYSGF-HXUWFJFHSA-N 1 2 367.424 3.408 20 30 FGEDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)ccc1F ZINC000129211009 495211345 /nfs/dbraw/zinc/21/13/45/495211345.db2.gz CVDVZVWDSRYSGF-HXUWFJFHSA-N 1 2 367.424 3.408 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCSCC2)c1C#N ZINC000103467985 495236295 /nfs/dbraw/zinc/23/62/95/495236295.db2.gz AZFSDXVIGRZLMZ-UHFFFAOYSA-N 1 2 360.527 3.469 20 30 FGEDLO COc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C#N ZINC000135176347 495259555 /nfs/dbraw/zinc/25/95/55/495259555.db2.gz MMSZAYAOEGJPRX-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO COc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C#N ZINC000135176347 495259559 /nfs/dbraw/zinc/25/95/59/495259559.db2.gz MMSZAYAOEGJPRX-UHFFFAOYSA-N 1 2 362.433 3.214 20 30 FGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000120049470 495296349 /nfs/dbraw/zinc/29/63/49/495296349.db2.gz UOMFFAQLAISOEN-UHFFFAOYSA-N 1 2 362.886 3.365 20 30 FGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000120049470 495296353 /nfs/dbraw/zinc/29/63/53/495296353.db2.gz UOMFFAQLAISOEN-UHFFFAOYSA-N 1 2 362.886 3.365 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000580514605 505775435 /nfs/dbraw/zinc/77/54/35/505775435.db2.gz XUGVSNMSYIKVDD-VQIMIIECSA-N 1 2 373.497 3.077 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000580514605 505775438 /nfs/dbraw/zinc/77/54/38/505775438.db2.gz XUGVSNMSYIKVDD-VQIMIIECSA-N 1 2 373.497 3.077 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000114716357 495415033 /nfs/dbraw/zinc/41/50/33/495415033.db2.gz AVYHPDCPYCKNQZ-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000114716357 495415035 /nfs/dbraw/zinc/41/50/35/495415035.db2.gz AVYHPDCPYCKNQZ-UHFFFAOYSA-N 1 2 363.461 3.213 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000106207707 495429655 /nfs/dbraw/zinc/42/96/55/495429655.db2.gz QAHNYPCZBSVSEP-RHSMWYFYSA-N 1 2 369.469 3.283 20 30 FGEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000106207707 495429659 /nfs/dbraw/zinc/42/96/59/495429659.db2.gz QAHNYPCZBSVSEP-RHSMWYFYSA-N 1 2 369.469 3.283 20 30 FGEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000114850140 495435324 /nfs/dbraw/zinc/43/53/24/495435324.db2.gz MNPYZXRQZOVJRH-UHFFFAOYSA-N 1 2 352.419 3.068 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131217874 495507496 /nfs/dbraw/zinc/50/74/96/495507496.db2.gz GZQDVZHWRBKLGQ-SJORKVTESA-N 1 2 364.852 3.169 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000131217874 495507498 /nfs/dbraw/zinc/50/74/98/495507498.db2.gz GZQDVZHWRBKLGQ-SJORKVTESA-N 1 2 364.852 3.169 20 30 FGEDLO CCOc1ccccc1-c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000577757395 505786711 /nfs/dbraw/zinc/78/67/11/505786711.db2.gz WORASKFMYSTXKF-NRFANRHFSA-N 1 2 351.450 3.326 20 30 FGEDLO CCCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115597209 495520771 /nfs/dbraw/zinc/52/07/71/495520771.db2.gz HEYKDECQWCQBEK-XOBRGWDASA-N 1 2 367.449 3.233 20 30 FGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000158632683 495555648 /nfs/dbraw/zinc/55/56/48/495555648.db2.gz KOAGDQRRJTXJAD-UHFFFAOYSA-N 1 2 358.461 3.294 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185510102 495604222 /nfs/dbraw/zinc/60/42/22/495604222.db2.gz SSCZJOZOPIFYQX-UHFFFAOYSA-N 1 2 369.852 3.134 20 30 FGEDLO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cn1cc[nH+]c1 ZINC000176400325 495638334 /nfs/dbraw/zinc/63/83/34/495638334.db2.gz ILODOLUDKMEZOA-KRWDZBQOSA-N 1 2 374.444 3.400 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000574534645 505795550 /nfs/dbraw/zinc/79/55/50/505795550.db2.gz IYOQFRUXYXJXAH-UHFFFAOYSA-N 1 2 373.338 3.060 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000171146919 495742946 /nfs/dbraw/zinc/74/29/46/495742946.db2.gz WCKAUIIBHORQKZ-UHFFFAOYSA-N 1 2 366.469 3.300 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000154918056 495772392 /nfs/dbraw/zinc/77/23/92/495772392.db2.gz SELXCLWMZDAVIV-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)n1 ZINC000580645253 505804667 /nfs/dbraw/zinc/80/46/67/505804667.db2.gz XYGPDUNGGYKYCQ-LLVKDONJSA-N 1 2 354.204 3.140 20 30 FGEDLO Cc1ccc(C(N)=[NH+]OCc2nc([C@H](C)OCC(C)C)no2)cc1F ZINC000174112769 495825419 /nfs/dbraw/zinc/82/54/19/495825419.db2.gz SHOSONLFAYOHKN-LBPRGKRZSA-N 1 2 350.394 3.088 20 30 FGEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000180037233 495833058 /nfs/dbraw/zinc/83/30/58/495833058.db2.gz YCFKAJJOEHATQN-HNNXBMFYSA-N 1 2 353.426 3.386 20 30 FGEDLO C=CCSCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171434792 495872399 /nfs/dbraw/zinc/87/23/99/495872399.db2.gz PBGHAGSCBDGHCF-INIZCTEOSA-N 1 2 363.527 3.003 20 30 FGEDLO C=CCOc1ccccc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155198007 495872782 /nfs/dbraw/zinc/87/27/82/495872782.db2.gz KMGSLFCYQUUHTE-UHFFFAOYSA-N 1 2 353.422 3.044 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(OC)c1 ZINC000155288806 495906086 /nfs/dbraw/zinc/90/60/86/495906086.db2.gz AMXMAGCDFXOPHF-FQEVSTJZSA-N 1 2 351.450 3.086 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000186291529 495931380 /nfs/dbraw/zinc/93/13/80/495931380.db2.gz CLKSEGLFXHUORK-XMSQKQJNSA-N 1 2 374.488 3.042 20 30 FGEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2ccccc2)o1 ZINC000180410688 495985477 /nfs/dbraw/zinc/98/54/77/495985477.db2.gz YZSCOZMWKDZTSZ-UHFFFAOYSA-N 1 2 355.438 3.120 20 30 FGEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(C)(O)CC2)c1C#N ZINC000177295476 496008906 /nfs/dbraw/zinc/00/89/06/496008906.db2.gz TXWFYSLKPPCQSR-UHFFFAOYSA-N 1 2 372.513 3.267 20 30 FGEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CCCCC1 ZINC000177391612 496044532 /nfs/dbraw/zinc/04/45/32/496044532.db2.gz WFZHYCWWWXNULW-OAHLLOKOSA-N 1 2 359.495 3.128 20 30 FGEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CCCCC1 ZINC000177391612 496044535 /nfs/dbraw/zinc/04/45/35/496044535.db2.gz WFZHYCWWWXNULW-OAHLLOKOSA-N 1 2 359.495 3.128 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2COc2ccccc2)c(C#N)c1C ZINC000155859023 496089500 /nfs/dbraw/zinc/08/95/00/496089500.db2.gz WSFXOJPMPYZRLW-INIZCTEOSA-N 1 2 353.422 3.250 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2COc2ccccc2)c(C#N)c1C ZINC000155859023 496089508 /nfs/dbraw/zinc/08/95/08/496089508.db2.gz WSFXOJPMPYZRLW-INIZCTEOSA-N 1 2 353.422 3.250 20 30 FGEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccco1 ZINC000174818623 496119632 /nfs/dbraw/zinc/11/96/32/496119632.db2.gz PRVDHWSQEJQOLR-UHFFFAOYSA-N 1 2 365.433 3.479 20 30 FGEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccco1 ZINC000174818623 496119635 /nfs/dbraw/zinc/11/96/35/496119635.db2.gz PRVDHWSQEJQOLR-UHFFFAOYSA-N 1 2 365.433 3.479 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)s1 ZINC000180832352 496163361 /nfs/dbraw/zinc/16/33/61/496163361.db2.gz DBEYBCJPAOGTEE-UHFFFAOYSA-N 1 2 374.897 3.029 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721579 496172489 /nfs/dbraw/zinc/17/24/89/496172489.db2.gz OYRFMGPWOSAARO-MRXNPFEDSA-N 1 2 351.450 3.313 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721579 496172493 /nfs/dbraw/zinc/17/24/93/496172493.db2.gz OYRFMGPWOSAARO-MRXNPFEDSA-N 1 2 351.450 3.313 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186959395 496230001 /nfs/dbraw/zinc/23/00/01/496230001.db2.gz XPXZJESKUHLBCF-OAHLLOKOSA-N 1 2 361.511 3.114 20 30 FGEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(Cl)cc2C#N)c1 ZINC000187018427 496254847 /nfs/dbraw/zinc/25/48/47/496254847.db2.gz JWUBKMHNNSGRJY-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(Cl)cc2C#N)c1 ZINC000187018427 496254855 /nfs/dbraw/zinc/25/48/55/496254855.db2.gz JWUBKMHNNSGRJY-UHFFFAOYSA-N 1 2 360.841 3.223 20 30 FGEDLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)s1 ZINC000172350537 496265334 /nfs/dbraw/zinc/26/53/34/496265334.db2.gz SJYRETGZNCZMDX-UHFFFAOYSA-N 1 2 368.506 3.210 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095835 496269479 /nfs/dbraw/zinc/26/94/79/496269479.db2.gz KWLWMHJMYLCLQC-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095835 496269483 /nfs/dbraw/zinc/26/94/83/496269483.db2.gz KWLWMHJMYLCLQC-WMZOPIPTSA-N 1 2 372.831 3.311 20 30 FGEDLO COc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1OCCCC#N ZINC000181139917 496285124 /nfs/dbraw/zinc/28/51/24/496285124.db2.gz OXUTZMLGWHDROA-UHFFFAOYSA-N 1 2 362.861 3.397 20 30 FGEDLO COc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1OCCCC#N ZINC000181139917 496285126 /nfs/dbraw/zinc/28/51/26/496285126.db2.gz OXUTZMLGWHDROA-UHFFFAOYSA-N 1 2 362.861 3.397 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(Br)c1 ZINC000181183205 496300920 /nfs/dbraw/zinc/30/09/20/496300920.db2.gz OPIPBIWTSZQEQQ-SFHVURJKSA-N 1 2 357.251 3.412 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(Br)c1 ZINC000181183205 496300923 /nfs/dbraw/zinc/30/09/23/496300923.db2.gz OPIPBIWTSZQEQQ-SFHVURJKSA-N 1 2 357.251 3.412 20 30 FGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156732621 496322268 /nfs/dbraw/zinc/32/22/68/496322268.db2.gz SDCYFCVGJRGTAT-ZDUSSCGKSA-N 1 2 363.508 3.098 20 30 FGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156732621 496322272 /nfs/dbraw/zinc/32/22/72/496322272.db2.gz SDCYFCVGJRGTAT-ZDUSSCGKSA-N 1 2 363.508 3.098 20 30 FGEDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000156869375 496353560 /nfs/dbraw/zinc/35/35/60/496353560.db2.gz DAISFMPMZRBPEG-LLVKDONJSA-N 1 2 373.844 3.110 20 30 FGEDLO N#Cc1cccc(CNC(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1 ZINC000175367044 496358178 /nfs/dbraw/zinc/35/81/78/496358178.db2.gz LRAXZVDNPBLEJZ-UHFFFAOYSA-N 1 2 373.460 3.387 20 30 FGEDLO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162628933 496385870 /nfs/dbraw/zinc/38/58/70/496385870.db2.gz CWACZFCDECJFIO-UHFFFAOYSA-N 1 2 363.465 3.232 20 30 FGEDLO C#CCCCCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000163147905 496472991 /nfs/dbraw/zinc/47/29/91/496472991.db2.gz CZRPOJQAQLKPCO-UHFFFAOYSA-N 1 2 351.450 3.077 20 30 FGEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(C)o1 ZINC000184661354 496483499 /nfs/dbraw/zinc/48/34/99/496483499.db2.gz HPHCIECMKLWFQE-CRAIPNDOSA-N 1 2 373.428 3.340 20 30 FGEDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187737870 496553055 /nfs/dbraw/zinc/55/30/55/496553055.db2.gz OEZUGRUYAPJTAB-UHFFFAOYSA-N 1 2 358.825 3.395 20 30 FGEDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187737870 496553058 /nfs/dbraw/zinc/55/30/58/496553058.db2.gz OEZUGRUYAPJTAB-UHFFFAOYSA-N 1 2 358.825 3.395 20 30 FGEDLO C=C(C)[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 ZINC000187759576 496559645 /nfs/dbraw/zinc/55/96/45/496559645.db2.gz YEIAABXBWFCWQQ-FQEVSTJZSA-N 1 2 371.387 3.157 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175833039 496564071 /nfs/dbraw/zinc/56/40/71/496564071.db2.gz HQDKEUSVUNLMGF-KGLIPLIRSA-N 1 2 361.492 3.208 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175833039 496564080 /nfs/dbraw/zinc/56/40/80/496564080.db2.gz HQDKEUSVUNLMGF-KGLIPLIRSA-N 1 2 361.492 3.208 20 30 FGEDLO COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1[nH+]ccn1C ZINC000165303892 496654942 /nfs/dbraw/zinc/65/49/42/496654942.db2.gz WQQZPYUHUMOCPA-GOSISDBHSA-N 1 2 363.377 3.410 20 30 FGEDLO N#Cc1c(NC(=O)C[NH2+][C@H](CCO)c2ccco2)sc2c1CCCCC2 ZINC000185124489 496670849 /nfs/dbraw/zinc/67/08/49/496670849.db2.gz FZUBVDUBBDDXFU-OAHLLOKOSA-N 1 2 373.478 3.133 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000247035859 496759191 /nfs/dbraw/zinc/75/91/91/496759191.db2.gz IQYXQXOVMJLALY-RTBURBONSA-N 1 2 357.450 3.130 20 30 FGEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000247035859 496759198 /nfs/dbraw/zinc/75/91/98/496759198.db2.gz IQYXQXOVMJLALY-RTBURBONSA-N 1 2 357.450 3.130 20 30 FGEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000273487044 496820781 /nfs/dbraw/zinc/82/07/81/496820781.db2.gz JQPVLGVGFYCYBP-QFBILLFUSA-N 1 2 369.465 3.454 20 30 FGEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000273659888 496866163 /nfs/dbraw/zinc/86/61/63/496866163.db2.gz XRZHYKFTSGAYDF-AWEZNQCLSA-N 1 2 357.483 3.061 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nccs3)C2)c(C#N)c1C ZINC000195343643 496896431 /nfs/dbraw/zinc/89/64/31/496896431.db2.gz XMNADJDZXMWLHM-OCCSQVGLSA-N 1 2 358.467 3.431 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nccs3)C2)c(C#N)c1C ZINC000195343643 496896435 /nfs/dbraw/zinc/89/64/35/496896435.db2.gz XMNADJDZXMWLHM-OCCSQVGLSA-N 1 2 358.467 3.431 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188756525 496898767 /nfs/dbraw/zinc/89/87/67/496898767.db2.gz JEVVJRJUTGMZHL-UHFFFAOYSA-N 1 2 357.816 3.139 20 30 FGEDLO N#Cc1c(F)cccc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188756525 496898771 /nfs/dbraw/zinc/89/87/71/496898771.db2.gz JEVVJRJUTGMZHL-UHFFFAOYSA-N 1 2 357.816 3.139 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247690445 496906243 /nfs/dbraw/zinc/90/62/43/496906243.db2.gz QTYDWGFVYKICQI-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000247690445 496906248 /nfs/dbraw/zinc/90/62/48/496906248.db2.gz QTYDWGFVYKICQI-RTBURBONSA-N 1 2 355.388 3.206 20 30 FGEDLO C#CCOc1cccc(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000264548652 496926824 /nfs/dbraw/zinc/92/68/24/496926824.db2.gz OJKKEHLGAZRVRP-UHFFFAOYSA-N 1 2 366.343 3.121 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1F ZINC000191932033 496935032 /nfs/dbraw/zinc/93/50/32/496935032.db2.gz LZPZBELHDKPIRJ-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1F ZINC000191932033 496935039 /nfs/dbraw/zinc/93/50/39/496935039.db2.gz LZPZBELHDKPIRJ-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192085605 496990777 /nfs/dbraw/zinc/99/07/77/496990777.db2.gz ZUQJSAGLVUJVEO-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192085605 496990783 /nfs/dbraw/zinc/99/07/83/496990783.db2.gz ZUQJSAGLVUJVEO-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192085605 496990786 /nfs/dbraw/zinc/99/07/86/496990786.db2.gz ZUQJSAGLVUJVEO-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192085605 496990790 /nfs/dbraw/zinc/99/07/90/496990790.db2.gz ZUQJSAGLVUJVEO-HNNXBMFYSA-N 1 2 366.415 3.414 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192086563 496991073 /nfs/dbraw/zinc/99/10/73/496991073.db2.gz KNTHIAHHAXJVOT-IBGZPJMESA-N 1 2 372.472 3.467 20 30 FGEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000192086563 496991078 /nfs/dbraw/zinc/99/10/78/496991078.db2.gz KNTHIAHHAXJVOT-IBGZPJMESA-N 1 2 372.472 3.467 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)c1c(F)cccc1F ZINC000265347650 497104218 /nfs/dbraw/zinc/10/42/18/497104218.db2.gz ZRRACFLTSOIUHE-KRWDZBQOSA-N 1 2 374.391 3.292 20 30 FGEDLO C=CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265805411 497185262 /nfs/dbraw/zinc/18/52/62/497185262.db2.gz OVOXSJCIWAQVFD-INIZCTEOSA-N 1 2 352.438 3.190 20 30 FGEDLO C=CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265805411 497185267 /nfs/dbraw/zinc/18/52/67/497185267.db2.gz OVOXSJCIWAQVFD-INIZCTEOSA-N 1 2 352.438 3.190 20 30 FGEDLO CC(C)C1(C)CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000275067954 497231795 /nfs/dbraw/zinc/23/17/95/497231795.db2.gz TVYIAOGEKUYAPG-MRXNPFEDSA-N 1 2 366.465 3.270 20 30 FGEDLO C=CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000275103603 497236703 /nfs/dbraw/zinc/23/67/03/497236703.db2.gz PTDZJWGSGYZNEN-HXUWFJFHSA-N 1 2 365.477 3.284 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249739946 497238933 /nfs/dbraw/zinc/23/89/33/497238933.db2.gz HRSXBTPNHNEZOO-AOIWGVFYSA-N 1 2 355.482 3.180 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249739946 497238936 /nfs/dbraw/zinc/23/89/36/497238936.db2.gz HRSXBTPNHNEZOO-AOIWGVFYSA-N 1 2 355.482 3.180 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152161 497377436 /nfs/dbraw/zinc/37/74/36/497377436.db2.gz VRVFRJRCMJINHB-ZWKOTPCHSA-N 1 2 356.426 3.023 20 30 FGEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190152161 497377441 /nfs/dbraw/zinc/37/74/41/497377441.db2.gz VRVFRJRCMJINHB-ZWKOTPCHSA-N 1 2 356.426 3.023 20 30 FGEDLO CCC[C@]1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266609368 497380996 /nfs/dbraw/zinc/38/09/96/497380996.db2.gz HIRVFLORMKUABN-IIBYNOLFSA-N 1 2 366.465 3.414 20 30 FGEDLO CCC[C@]1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000266609368 497380998 /nfs/dbraw/zinc/38/09/98/497380998.db2.gz HIRVFLORMKUABN-IIBYNOLFSA-N 1 2 366.465 3.414 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000245954491 497583097 /nfs/dbraw/zinc/58/30/97/497583097.db2.gz QFFLBQDIMPTPCR-GOEBONIOSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(C#N)c1C ZINC000245954491 497583101 /nfs/dbraw/zinc/58/31/01/497583101.db2.gz QFFLBQDIMPTPCR-GOEBONIOSA-N 1 2 373.478 3.356 20 30 FGEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)on1 ZINC000578352282 505921289 /nfs/dbraw/zinc/92/12/89/505921289.db2.gz ODETXMNNWDMTIQ-UHFFFAOYSA-N 1 2 367.840 3.379 20 30 FGEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000272606517 497676960 /nfs/dbraw/zinc/67/69/60/497676960.db2.gz MLZRNLQPCBTMMR-LJQANCHMSA-N 1 2 361.486 3.429 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000246541298 497767672 /nfs/dbraw/zinc/76/76/72/497767672.db2.gz GKZGWWKPQVHVHY-MSOLQXFVSA-N 1 2 366.490 3.302 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000246541298 497767678 /nfs/dbraw/zinc/76/76/78/497767678.db2.gz GKZGWWKPQVHVHY-MSOLQXFVSA-N 1 2 366.490 3.302 20 30 FGEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000581206761 505933524 /nfs/dbraw/zinc/93/35/24/505933524.db2.gz GHZBJBJGDKNXRU-UHFFFAOYSA-N 1 2 374.444 3.250 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000329588649 497838310 /nfs/dbraw/zinc/83/83/10/497838310.db2.gz ZAIPUGMVSMLJQX-YRNRMSPPSA-N 1 2 361.486 3.048 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000329588649 497838315 /nfs/dbraw/zinc/83/83/15/497838315.db2.gz ZAIPUGMVSMLJQX-YRNRMSPPSA-N 1 2 361.486 3.048 20 30 FGEDLO C[C@@]1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)OCCc2sccc21 ZINC000329630720 497850625 /nfs/dbraw/zinc/85/06/25/497850625.db2.gz RBCHREORPVYNID-SFHVURJKSA-N 1 2 360.483 3.053 20 30 FGEDLO C[C@@]1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)OCCc2sccc21 ZINC000329630720 497850632 /nfs/dbraw/zinc/85/06/32/497850632.db2.gz RBCHREORPVYNID-SFHVURJKSA-N 1 2 360.483 3.053 20 30 FGEDLO C[C@@H]1OCC[C@]1(C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659861 497859862 /nfs/dbraw/zinc/85/98/62/497859862.db2.gz OGJIXXXEHZYNFM-IGCXYCKISA-N 1 2 352.504 3.078 20 30 FGEDLO C[C@@H]1OCC[C@]1(C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000329659861 497859865 /nfs/dbraw/zinc/85/98/65/497859865.db2.gz OGJIXXXEHZYNFM-IGCXYCKISA-N 1 2 352.504 3.078 20 30 FGEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000329699894 497873029 /nfs/dbraw/zinc/87/30/29/497873029.db2.gz GHSMJRNLFRUERA-OAQYLSRUSA-N 1 2 370.497 3.155 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000292123708 497887673 /nfs/dbraw/zinc/88/76/73/497887673.db2.gz IEOMWFPCIYXUCG-MRXNPFEDSA-N 1 2 363.446 3.125 20 30 FGEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)nc1 ZINC000292123708 497887681 /nfs/dbraw/zinc/88/76/81/497887681.db2.gz IEOMWFPCIYXUCG-MRXNPFEDSA-N 1 2 363.446 3.125 20 30 FGEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc3ccc(F)cc3o2)CC1 ZINC000329792665 497902967 /nfs/dbraw/zinc/90/29/67/497902967.db2.gz AKYNNGCRAMARJU-AWEZNQCLSA-N 1 2 374.460 3.372 20 30 FGEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]c1ccc(OC2CCCC2)nc1 ZINC000329804035 497907248 /nfs/dbraw/zinc/90/72/48/497907248.db2.gz LTICEGYGGIALAV-CQSZACIVSA-N 1 2 355.442 3.188 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000329855709 497928736 /nfs/dbraw/zinc/92/87/36/497928736.db2.gz UGUVQRXCPXGDSI-WBVHZDCISA-N 1 2 361.442 3.073 20 30 FGEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000329855709 497928743 /nfs/dbraw/zinc/92/87/43/497928743.db2.gz UGUVQRXCPXGDSI-WBVHZDCISA-N 1 2 361.442 3.073 20 30 FGEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000329858441 497930181 /nfs/dbraw/zinc/93/01/81/497930181.db2.gz OAUSWJPQEIMMHZ-SJLPKXTDSA-N 1 2 356.495 3.014 20 30 FGEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329872878 497934675 /nfs/dbraw/zinc/93/46/75/497934675.db2.gz DJYSUJJNZQGYFC-RXVVDRJESA-N 1 2 366.465 3.053 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000329894261 497942297 /nfs/dbraw/zinc/94/22/97/497942297.db2.gz JWQWOKGPXMJQGT-QUCCMNQESA-N 1 2 368.481 3.452 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(=O)[nH]c(C3CC3)c1)C2 ZINC000329922297 497953742 /nfs/dbraw/zinc/95/37/42/497953742.db2.gz HZEIBWWXTWIJGW-CQSZACIVSA-N 1 2 354.454 3.478 20 30 FGEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1coc(C2CCOCC2)n1 ZINC000329926394 497955517 /nfs/dbraw/zinc/95/55/17/497955517.db2.gz WEUHNJJHILMMCW-UHFFFAOYSA-N 1 2 356.426 3.069 20 30 FGEDLO CCN1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329930809 497957024 /nfs/dbraw/zinc/95/70/24/497957024.db2.gz ZWUCLNZXAJLYEM-SJLPKXTDSA-N 1 2 355.486 3.382 20 30 FGEDLO CC[C@H]([NH+]=C([O-])N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)nn(C)c1C ZINC000329952843 497966835 /nfs/dbraw/zinc/96/68/35/497966835.db2.gz MYZIWDMMELHTFK-JQFCIGGWSA-N 1 2 358.490 3.182 20 30 FGEDLO CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1c(C)nn(C)c1C ZINC000329952843 497966838 /nfs/dbraw/zinc/96/68/38/497966838.db2.gz MYZIWDMMELHTFK-JQFCIGGWSA-N 1 2 358.490 3.182 20 30 FGEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccccc2C#N)CC1 ZINC000292316157 497968048 /nfs/dbraw/zinc/96/80/48/497968048.db2.gz FCLLVLBZVHBVEQ-UHFFFAOYSA-N 1 2 354.479 3.028 20 30 FGEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccccc2C#N)CC1 ZINC000292316157 497968050 /nfs/dbraw/zinc/96/80/50/497968050.db2.gz FCLLVLBZVHBVEQ-UHFFFAOYSA-N 1 2 354.479 3.028 20 30 FGEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCc3ccccc32)cn1 ZINC000329970966 497974871 /nfs/dbraw/zinc/97/48/71/497974871.db2.gz YEDDFYXCWSKWBY-JENIJYKNSA-N 1 2 356.445 3.019 20 30 FGEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCc3ccccc32)cn1 ZINC000329970966 497974878 /nfs/dbraw/zinc/97/48/78/497974878.db2.gz YEDDFYXCWSKWBY-JENIJYKNSA-N 1 2 356.445 3.019 20 30 FGEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400457 505960169 /nfs/dbraw/zinc/96/01/69/505960169.db2.gz JLQZLRJLNJIGIO-RHSMWYFYSA-N 1 2 373.478 3.102 20 30 FGEDLO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000572400457 505960172 /nfs/dbraw/zinc/96/01/72/505960172.db2.gz JLQZLRJLNJIGIO-RHSMWYFYSA-N 1 2 373.478 3.102 20 30 FGEDLO Cc1nc([C@H]2CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)cs1 ZINC000330021321 497994110 /nfs/dbraw/zinc/99/41/10/497994110.db2.gz XQDMLCHDLFAXCI-MRXNPFEDSA-N 1 2 359.499 3.278 20 30 FGEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCCN(c2ccccc2C#N)CC1 ZINC000572414935 505963323 /nfs/dbraw/zinc/96/33/23/505963323.db2.gz BXKBSMFKINTMEV-UHFFFAOYSA-N 1 2 363.465 3.259 20 30 FGEDLO [O-]C(=[NH+]C[C@H]1CCCn2cc[nH+]c21)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000330058498 498007340 /nfs/dbraw/zinc/00/73/40/498007340.db2.gz ZBJCWBITPVKCPE-CYBMUJFWSA-N 1 2 367.428 3.353 20 30 FGEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCC2(CCCCC2)O1 ZINC000330056932 498007403 /nfs/dbraw/zinc/00/74/03/498007403.db2.gz WQCFDTGJERNUGF-ZWKOTPCHSA-N 1 2 360.502 3.452 20 30 FGEDLO COC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCCCC1 ZINC000330102978 498021650 /nfs/dbraw/zinc/02/16/50/498021650.db2.gz FZRQOGVQUGLZBG-UHFFFAOYSA-N 1 2 358.442 3.337 20 30 FGEDLO C=CCNC(=O)c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc1 ZINC000301255749 498023563 /nfs/dbraw/zinc/02/35/63/498023563.db2.gz TVYMALYOJCDHHF-UHFFFAOYSA-N 1 2 365.481 3.385 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132034 498032831 /nfs/dbraw/zinc/03/28/31/498032831.db2.gz QCLIEOCLAZCMFE-FTRWYGJKSA-N 1 2 362.470 3.250 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330132034 498032835 /nfs/dbraw/zinc/03/28/35/498032835.db2.gz QCLIEOCLAZCMFE-FTRWYGJKSA-N 1 2 362.470 3.250 20 30 FGEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(OCCCO)cc3)CC2)cc1 ZINC000289238533 498071893 /nfs/dbraw/zinc/07/18/93/498071893.db2.gz DMWXCUKBLPCENF-UHFFFAOYSA-N 1 2 351.450 3.400 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)C1=O ZINC000281245757 498072067 /nfs/dbraw/zinc/07/20/67/498072067.db2.gz GLYGLJKRHCIAGS-ZDUSSCGKSA-N 1 2 353.344 3.065 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3o2)C1=O ZINC000281245757 498072074 /nfs/dbraw/zinc/07/20/74/498072074.db2.gz GLYGLJKRHCIAGS-ZDUSSCGKSA-N 1 2 353.344 3.065 20 30 FGEDLO N#CC[C@@H](Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)c1ccccc1 ZINC000350323529 498075782 /nfs/dbraw/zinc/07/57/82/498075782.db2.gz RNRQPPDECZPWEL-OKZBNKHCSA-N 1 2 352.438 3.235 20 30 FGEDLO N#CC[C@@H](Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)c1ccccc1 ZINC000350323529 498075787 /nfs/dbraw/zinc/07/57/87/498075787.db2.gz RNRQPPDECZPWEL-OKZBNKHCSA-N 1 2 352.438 3.235 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)s1 ZINC000330244529 498076233 /nfs/dbraw/zinc/07/62/33/498076233.db2.gz DFEINCURWJNHBX-ZDUSSCGKSA-N 1 2 352.504 3.172 20 30 FGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)s1 ZINC000330244529 498076240 /nfs/dbraw/zinc/07/62/40/498076240.db2.gz DFEINCURWJNHBX-ZDUSSCGKSA-N 1 2 352.504 3.172 20 30 FGEDLO C=C(C)CCc1noc([C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)n1 ZINC000350328898 498077207 /nfs/dbraw/zinc/07/72/07/498077207.db2.gz WMTVVTQIAYCHJL-RDTXWAMCSA-N 1 2 357.458 3.169 20 30 FGEDLO C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@@]2(C)CCCNC2=O)c2cccs2)CCO1 ZINC000330310352 498100535 /nfs/dbraw/zinc/10/05/35/498100535.db2.gz NJGSZUJHLZQUDU-LBTNJELSSA-N 1 2 365.499 3.223 20 30 FGEDLO C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@@]2(C)CCCNC2=O)c2cccs2)CCO1 ZINC000330310352 498100542 /nfs/dbraw/zinc/10/05/42/498100542.db2.gz NJGSZUJHLZQUDU-LBTNJELSSA-N 1 2 365.499 3.223 20 30 FGEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330333921 498108134 /nfs/dbraw/zinc/10/81/34/498108134.db2.gz YLENVNUQRHSZPC-AWEZNQCLSA-N 1 2 360.483 3.311 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296611750 498120931 /nfs/dbraw/zinc/12/09/31/498120931.db2.gz FJPUBEZIAUOJAR-CZUORRHYSA-N 1 2 353.426 3.326 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1Cl ZINC000292831873 498162968 /nfs/dbraw/zinc/16/29/68/498162968.db2.gz RHXJCFHRLUZMCV-UHFFFAOYSA-N 1 2 357.903 3.161 20 30 FGEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)C1=O ZINC000281493952 498170166 /nfs/dbraw/zinc/17/01/66/498170166.db2.gz XQFHDESHXHRCDW-UYAOXDASSA-N 1 2 360.461 3.039 20 30 FGEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000330800870 498196446 /nfs/dbraw/zinc/19/64/46/498196446.db2.gz AEJOIYKBALEUPQ-BXKDBHETSA-N 1 2 356.651 3.323 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000281865034 498296794 /nfs/dbraw/zinc/29/67/94/498296794.db2.gz RBMUCQKPSRPTNY-MAUKXSAKSA-N 1 2 352.438 3.296 20 30 FGEDLO N#Cc1cc2c(nc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1)CCCC2 ZINC000301897023 498316670 /nfs/dbraw/zinc/31/66/70/498316670.db2.gz QUKIVZOOMLSLQJ-NRFANRHFSA-N 1 2 362.477 3.317 20 30 FGEDLO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C#N)c1CC ZINC000301978649 498353366 /nfs/dbraw/zinc/35/33/66/498353366.db2.gz FJIZBSHPIPORJU-HNNXBMFYSA-N 1 2 367.472 3.495 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000365244817 498371238 /nfs/dbraw/zinc/37/12/38/498371238.db2.gz UHGWHWVWNKZZNY-WLRWDXFRSA-N 1 2 371.799 3.030 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000365244817 498371244 /nfs/dbraw/zinc/37/12/44/498371244.db2.gz UHGWHWVWNKZZNY-WLRWDXFRSA-N 1 2 371.799 3.030 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000575954880 506041431 /nfs/dbraw/zinc/04/14/31/506041431.db2.gz JGEGMWPZUDUYPS-KBXCAEBGSA-N 1 2 371.437 3.236 20 30 FGEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000575954880 506041432 /nfs/dbraw/zinc/04/14/32/506041432.db2.gz JGEGMWPZUDUYPS-KBXCAEBGSA-N 1 2 371.437 3.236 20 30 FGEDLO CCc1nc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000332251452 498620054 /nfs/dbraw/zinc/62/00/54/498620054.db2.gz CTJOGJURIYUTGX-UHFFFAOYSA-N 1 2 369.494 3.235 20 30 FGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000294348304 498665526 /nfs/dbraw/zinc/66/55/26/498665526.db2.gz ZITZLPUCQDGXDP-LJQANCHMSA-N 1 2 365.481 3.377 20 30 FGEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000332542785 498719263 /nfs/dbraw/zinc/71/92/63/498719263.db2.gz YACKVDLEIWGQFY-OALUTQOASA-N 1 2 357.454 3.185 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(F)c1 ZINC000298416229 498764167 /nfs/dbraw/zinc/76/41/67/498764167.db2.gz LAHLIEUVALTJLE-RRQGHBQHSA-N 1 2 355.417 3.030 20 30 FGEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000315552221 498783682 /nfs/dbraw/zinc/78/36/82/498783682.db2.gz IVAGLIGWRZAAQR-ZDUSSCGKSA-N 1 2 351.244 3.096 20 30 FGEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000315552221 498783690 /nfs/dbraw/zinc/78/36/90/498783690.db2.gz IVAGLIGWRZAAQR-ZDUSSCGKSA-N 1 2 351.244 3.096 20 30 FGEDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC000287609138 498811969 /nfs/dbraw/zinc/81/19/69/498811969.db2.gz DQIFBDLNQLEMLA-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC000287609138 498811975 /nfs/dbraw/zinc/81/19/75/498811975.db2.gz DQIFBDLNQLEMLA-UHFFFAOYSA-N 1 2 360.255 3.364 20 30 FGEDLO Cn1cc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(-c2ccc(C#N)cc2)n1 ZINC000294859952 498830624 /nfs/dbraw/zinc/83/06/24/498830624.db2.gz SYOZGIHDLUYQGJ-IBGZPJMESA-N 1 2 360.465 3.275 20 30 FGEDLO C=CCc1cc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc(OC)c1O ZINC000295068191 498897777 /nfs/dbraw/zinc/89/77/77/498897777.db2.gz QUPHKSPJFGWWGF-UHFFFAOYSA-N 1 2 353.344 3.228 20 30 FGEDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366380579 498901662 /nfs/dbraw/zinc/90/16/62/498901662.db2.gz OVJANPKRTKYLTB-CYBMUJFWSA-N 1 2 365.462 3.225 20 30 FGEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCCC13CCOCC3)C2 ZINC000328700326 498905761 /nfs/dbraw/zinc/90/57/61/498905761.db2.gz IQHMFEBXDWNTOW-QGZVFWFLSA-N 1 2 360.502 3.165 20 30 FGEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCCC23CCOCC3)C1 ZINC000328786906 498939083 /nfs/dbraw/zinc/93/90/83/498939083.db2.gz JHMZBWXYPVDGLU-SJORKVTESA-N 1 2 360.502 3.346 20 30 FGEDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803585 498944485 /nfs/dbraw/zinc/94/44/85/498944485.db2.gz KBIDIOIUCHDZCQ-UKRRQHHQSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803585 498944490 /nfs/dbraw/zinc/94/44/90/498944490.db2.gz KBIDIOIUCHDZCQ-UKRRQHHQSA-N 1 2 361.442 3.167 20 30 FGEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC[C@H](O)CC3)n2)C1 ZINC000328805840 498944847 /nfs/dbraw/zinc/94/48/47/498944847.db2.gz NFVMDOKKBLNIMW-YDHLFZDLSA-N 1 2 352.504 3.004 20 30 FGEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC[C@H](O)CC3)n2)C1 ZINC000328805840 498944852 /nfs/dbraw/zinc/94/48/52/498944852.db2.gz NFVMDOKKBLNIMW-YDHLFZDLSA-N 1 2 352.504 3.004 20 30 FGEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000328830903 498954446 /nfs/dbraw/zinc/95/44/46/498954446.db2.gz KCBZFIYBFXYKDQ-UAFMIMERSA-N 1 2 366.465 3.183 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000328866783 498967530 /nfs/dbraw/zinc/96/75/30/498967530.db2.gz NYDRIQPAIFDUOE-ULQDDVLXSA-N 1 2 356.470 3.027 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945562 498994048 /nfs/dbraw/zinc/99/40/48/498994048.db2.gz GIWUKJKIMAPFSM-YESZJQIVSA-N 1 2 354.397 3.069 20 30 FGEDLO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945562 498994056 /nfs/dbraw/zinc/99/40/56/498994056.db2.gz GIWUKJKIMAPFSM-YESZJQIVSA-N 1 2 354.397 3.069 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945561 498994632 /nfs/dbraw/zinc/99/46/32/498994632.db2.gz GIWUKJKIMAPFSM-IXDOHACOSA-N 1 2 354.397 3.069 20 30 FGEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)Nc1cc(F)cc(F)c1 ZINC000328945561 498994634 /nfs/dbraw/zinc/99/46/34/498994634.db2.gz GIWUKJKIMAPFSM-IXDOHACOSA-N 1 2 354.397 3.069 20 30 FGEDLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328951487 498997309 /nfs/dbraw/zinc/99/73/09/498997309.db2.gz LQRGZWUUOWJABI-ODPFKFRSSA-N 1 2 363.527 3.190 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000328959741 498999993 /nfs/dbraw/zinc/99/99/93/498999993.db2.gz KEIUAUOBDIWJLH-NXHRZFHOSA-N 1 2 358.486 3.361 20 30 FGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1 ZINC000328959741 498999997 /nfs/dbraw/zinc/99/99/97/498999997.db2.gz KEIUAUOBDIWJLH-NXHRZFHOSA-N 1 2 358.486 3.361 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848372 499093609 /nfs/dbraw/zinc/09/36/09/499093609.db2.gz WOVZYXNMCXBYOF-ROUUACIJSA-N 1 2 354.429 3.140 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc(-c3ccccc3F)c[nH]2)C1=O ZINC000366848372 499093614 /nfs/dbraw/zinc/09/36/14/499093614.db2.gz WOVZYXNMCXBYOF-ROUUACIJSA-N 1 2 354.429 3.140 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1COc3ccccc3C1)C2 ZINC000329311878 499096298 /nfs/dbraw/zinc/09/62/98/499096298.db2.gz ZWABPDXFNKLBKG-HOTGVXAUSA-N 1 2 368.481 3.003 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1COc3ccccc3C1)C2 ZINC000329311878 499096303 /nfs/dbraw/zinc/09/63/03/499096303.db2.gz ZWABPDXFNKLBKG-HOTGVXAUSA-N 1 2 368.481 3.003 20 30 FGEDLO CC(C)(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000329378844 499112353 /nfs/dbraw/zinc/11/23/53/499112353.db2.gz MSDDNMYSDXCNEL-CVEARBPZSA-N 1 2 352.862 3.237 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC000329383962 499112999 /nfs/dbraw/zinc/11/29/99/499112999.db2.gz PCAQKXLCANRWLE-OAHLLOKOSA-N 1 2 367.497 3.495 20 30 FGEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]1C1CCOCC1 ZINC000329488318 499127699 /nfs/dbraw/zinc/12/76/99/499127699.db2.gz RVBRNABGIUIZHK-IBGZPJMESA-N 1 2 372.513 3.377 20 30 FGEDLO C[C@H](c1cccc(NC(=O)N2CCOCC3(CCC3)C2)c1)[NH+]1CCOCC1 ZINC000329512787 499128652 /nfs/dbraw/zinc/12/86/52/499128652.db2.gz LEDPTPVMFAIPNA-QGZVFWFLSA-N 1 2 373.497 3.128 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061255 499141871 /nfs/dbraw/zinc/14/18/71/499141871.db2.gz VLGCTTHJHZOALO-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061255 499141874 /nfs/dbraw/zinc/14/18/74/499141874.db2.gz VLGCTTHJHZOALO-XOBRGWDASA-N 1 2 367.836 3.194 20 30 FGEDLO C=CCOc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000369965031 499158908 /nfs/dbraw/zinc/15/89/08/499158908.db2.gz POUNKWMPIMJEAD-QGZVFWFLSA-N 1 2 361.438 3.399 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310784 499178733 /nfs/dbraw/zinc/17/87/33/499178733.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000367310784 499178734 /nfs/dbraw/zinc/17/87/34/499178734.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000367310784 499178737 /nfs/dbraw/zinc/17/87/37/499178737.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 1 2 359.433 3.214 20 30 FGEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000367310784 499178739 /nfs/dbraw/zinc/17/87/39/499178739.db2.gz VLYQFOYQYJKRCR-RTBURBONSA-N 1 2 359.433 3.214 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370205338 499197090 /nfs/dbraw/zinc/19/70/90/499197090.db2.gz ZGYGMRDFTNPPOY-USXIJHARSA-N 1 2 359.495 3.273 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000370205338 499197092 /nfs/dbraw/zinc/19/70/92/499197092.db2.gz ZGYGMRDFTNPPOY-USXIJHARSA-N 1 2 359.495 3.273 20 30 FGEDLO N#Cc1ccc2ncc(C[N@H+]3Cc4ccccc4[C@@H](n4cccn4)C3)n2c1 ZINC000367466922 499202512 /nfs/dbraw/zinc/20/25/12/499202512.db2.gz DTMLVSDGCXKVJQ-FQEVSTJZSA-N 1 2 354.417 3.008 20 30 FGEDLO N#Cc1ccc2ncc(C[N@@H+]3Cc4ccccc4[C@@H](n4cccn4)C3)n2c1 ZINC000367466922 499202514 /nfs/dbraw/zinc/20/25/14/499202514.db2.gz DTMLVSDGCXKVJQ-FQEVSTJZSA-N 1 2 354.417 3.008 20 30 FGEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c(C#N)c3)CC2)cs1 ZINC000370532820 499229526 /nfs/dbraw/zinc/22/95/26/499229526.db2.gz FIPJYAGCEOZCFR-UHFFFAOYSA-N 1 2 368.506 3.234 20 30 FGEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C)c(C#N)c3)CC2)cs1 ZINC000370532820 499229527 /nfs/dbraw/zinc/22/95/27/499229527.db2.gz FIPJYAGCEOZCFR-UHFFFAOYSA-N 1 2 368.506 3.234 20 30 FGEDLO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367866989 499239848 /nfs/dbraw/zinc/23/98/48/499239848.db2.gz WILCDKAIBGDHFA-AWEZNQCLSA-N 1 2 359.271 3.434 20 30 FGEDLO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000367866989 499239850 /nfs/dbraw/zinc/23/98/50/499239850.db2.gz WILCDKAIBGDHFA-AWEZNQCLSA-N 1 2 359.271 3.434 20 30 FGEDLO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368109872 499265202 /nfs/dbraw/zinc/26/52/02/499265202.db2.gz QKONGTZHLCRACN-UHFFFAOYSA-N 1 2 360.808 3.375 20 30 FGEDLO C=CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568752 499308750 /nfs/dbraw/zinc/30/87/50/499308750.db2.gz SBENQQXBFVYHOA-HOCLYGCPSA-N 1 2 353.459 3.103 20 30 FGEDLO C=CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000368568752 499308751 /nfs/dbraw/zinc/30/87/51/499308751.db2.gz SBENQQXBFVYHOA-HOCLYGCPSA-N 1 2 353.459 3.103 20 30 FGEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000368749454 499327867 /nfs/dbraw/zinc/32/78/67/499327867.db2.gz FDRFETAVQMSAKR-HNNXBMFYSA-N 1 2 351.454 3.411 20 30 FGEDLO CC(C)Cc1ncc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470775 499331437 /nfs/dbraw/zinc/33/14/37/499331437.db2.gz OKUOFQCYLDMGTH-XOBRGWDASA-N 1 2 366.490 3.187 20 30 FGEDLO CC(C)Cc1ncc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)s1 ZINC000371470775 499331439 /nfs/dbraw/zinc/33/14/39/499331439.db2.gz OKUOFQCYLDMGTH-XOBRGWDASA-N 1 2 366.490 3.187 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)no1 ZINC000368999048 499355178 /nfs/dbraw/zinc/35/51/78/499355178.db2.gz GDJLQAAQUSVHSC-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2C#N)no1 ZINC000368999048 499355179 /nfs/dbraw/zinc/35/51/79/499355179.db2.gz GDJLQAAQUSVHSC-INIZCTEOSA-N 1 2 353.426 3.059 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)c1 ZINC000372971913 499445292 /nfs/dbraw/zinc/44/52/92/499445292.db2.gz FLYAWSDLXDQNQL-LJQANCHMSA-N 1 2 365.481 3.121 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375358631 499510331 /nfs/dbraw/zinc/51/03/31/499510331.db2.gz YUZFBUJDFBJLEX-MRXNPFEDSA-N 1 2 374.448 3.277 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375358631 499510333 /nfs/dbraw/zinc/51/03/33/499510333.db2.gz YUZFBUJDFBJLEX-MRXNPFEDSA-N 1 2 374.448 3.277 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378444779 499517619 /nfs/dbraw/zinc/51/76/19/499517619.db2.gz YGGFAVWDZMMPEL-UHFFFAOYSA-N 1 2 363.446 3.224 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000378444779 499517621 /nfs/dbraw/zinc/51/76/21/499517621.db2.gz YGGFAVWDZMMPEL-UHFFFAOYSA-N 1 2 363.446 3.224 20 30 FGEDLO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000378500177 499524682 /nfs/dbraw/zinc/52/46/82/499524682.db2.gz SSUWJCYADKZOSY-UHFFFAOYSA-N 1 2 350.422 3.406 20 30 FGEDLO COc1cccc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000409929010 499630174 /nfs/dbraw/zinc/63/01/74/499630174.db2.gz ZDLJIGHBRBBEDG-KRWDZBQOSA-N 1 2 363.461 3.015 20 30 FGEDLO C=C(CNC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000377019104 499654626 /nfs/dbraw/zinc/65/46/26/499654626.db2.gz IYXQADSKBISBDQ-UHFFFAOYSA-N 1 2 350.466 3.405 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377740813 499727142 /nfs/dbraw/zinc/72/71/42/499727142.db2.gz DNALESNESULDCS-CHWSQXEVSA-N 1 2 355.467 3.340 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377740813 499727143 /nfs/dbraw/zinc/72/71/43/499727143.db2.gz DNALESNESULDCS-CHWSQXEVSA-N 1 2 355.467 3.340 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@@H+]3CCO[C@@H](C)C3)o2)cc1 ZINC000413000538 499903553 /nfs/dbraw/zinc/90/35/53/499903553.db2.gz NPRWKFKUWIDSOV-AWEZNQCLSA-N 1 2 361.467 3.114 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@H+]3CCO[C@@H](C)C3)o2)cc1 ZINC000413000538 499903555 /nfs/dbraw/zinc/90/35/55/499903555.db2.gz NPRWKFKUWIDSOV-AWEZNQCLSA-N 1 2 361.467 3.114 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@H+]3CCOC[C@H]3C)o2)cc1 ZINC000413004845 499903861 /nfs/dbraw/zinc/90/38/61/499903861.db2.gz XZTOVBVVWMWZFH-CQSZACIVSA-N 1 2 361.467 3.114 20 30 FGEDLO C=CCOc1ccc(-c2nnc(SCC[N@@H+]3CCOC[C@H]3C)o2)cc1 ZINC000413004845 499903862 /nfs/dbraw/zinc/90/38/62/499903862.db2.gz XZTOVBVVWMWZFH-CQSZACIVSA-N 1 2 361.467 3.114 20 30 FGEDLO Cc1cc(NC(=O)NCc2[nH+]ccn2CC(C)C)c(C#N)cc1N(C)C ZINC000417124847 499979188 /nfs/dbraw/zinc/97/91/88/499979188.db2.gz AFAHCTMDBFXVLG-UHFFFAOYSA-N 1 2 354.458 3.107 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232537 500028776 /nfs/dbraw/zinc/02/87/76/500028776.db2.gz BSAXTSWZAKASMP-HOTGVXAUSA-N 1 2 366.440 3.235 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232537 500028778 /nfs/dbraw/zinc/02/87/78/500028778.db2.gz BSAXTSWZAKASMP-HOTGVXAUSA-N 1 2 366.440 3.235 20 30 FGEDLO Cc1[nH+]c2cc(CNS(=O)(=O)c3ccc(C#N)s3)ccc2n1C1CC1 ZINC000416481774 500051029 /nfs/dbraw/zinc/05/10/29/500051029.db2.gz VZHWXVXMPPHFJT-UHFFFAOYSA-N 1 2 372.475 3.091 20 30 FGEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429325215 500053244 /nfs/dbraw/zinc/05/32/44/500053244.db2.gz DEJGCRXGOKURPB-IBGZPJMESA-N 1 2 356.429 3.419 20 30 FGEDLO CC[C@](C)(C(=O)OC)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000425509091 500127910 /nfs/dbraw/zinc/12/79/10/500127910.db2.gz IANOEURSPGONLM-HXUWFJFHSA-N 1 2 368.437 3.162 20 30 FGEDLO CC[C@](C)(C(=O)OC)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000425509091 500127912 /nfs/dbraw/zinc/12/79/12/500127912.db2.gz IANOEURSPGONLM-HXUWFJFHSA-N 1 2 368.437 3.162 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000429832451 500152541 /nfs/dbraw/zinc/15/25/41/500152541.db2.gz ULOLUYRHZRGQRL-QGZVFWFLSA-N 1 2 371.506 3.168 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000425594757 500156481 /nfs/dbraw/zinc/15/64/81/500156481.db2.gz GUHRLULJSLKYRS-AWEZNQCLSA-N 1 2 368.824 3.215 20 30 FGEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000430108480 500193710 /nfs/dbraw/zinc/19/37/10/500193710.db2.gz TUSLRDZMCKIMTF-HNNXBMFYSA-N 1 2 374.428 3.366 20 30 FGEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000430108480 500193711 /nfs/dbraw/zinc/19/37/11/500193711.db2.gz TUSLRDZMCKIMTF-HNNXBMFYSA-N 1 2 374.428 3.366 20 30 FGEDLO C=CCSCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000427088278 500352128 /nfs/dbraw/zinc/35/21/28/500352128.db2.gz IXGVIXMVHJFZOY-UHFFFAOYSA-N 1 2 371.462 3.156 20 30 FGEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cc2)c1C ZINC000427777530 500431580 /nfs/dbraw/zinc/43/15/80/500431580.db2.gz YNPZZXMDEHYYJI-UHFFFAOYSA-N 1 2 370.409 3.301 20 30 FGEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000428156134 500475491 /nfs/dbraw/zinc/47/54/91/500475491.db2.gz FARXGWUGBHUQMA-UHFFFAOYSA-N 1 2 350.447 3.472 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424503432 500511672 /nfs/dbraw/zinc/51/16/72/500511672.db2.gz UNWQJJMNLQWKRN-KHYOSLBOSA-N 1 2 364.436 3.027 20 30 FGEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424503432 500511674 /nfs/dbraw/zinc/51/16/74/500511674.db2.gz UNWQJJMNLQWKRN-KHYOSLBOSA-N 1 2 364.436 3.027 20 30 FGEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925616 500532447 /nfs/dbraw/zinc/53/24/47/500532447.db2.gz LYTAIFRZIREWMX-ZFWWWQNUSA-N 1 2 359.426 3.409 20 30 FGEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000420925616 500532449 /nfs/dbraw/zinc/53/24/49/500532449.db2.gz LYTAIFRZIREWMX-ZFWWWQNUSA-N 1 2 359.426 3.409 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420957799 500541711 /nfs/dbraw/zinc/54/17/11/500541711.db2.gz ZYWOQPIDEZJBKI-AAEUAGOBSA-N 1 2 357.401 3.389 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420957799 500541714 /nfs/dbraw/zinc/54/17/14/500541714.db2.gz ZYWOQPIDEZJBKI-AAEUAGOBSA-N 1 2 357.401 3.389 20 30 FGEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000570601428 506203089 /nfs/dbraw/zinc/20/30/89/506203089.db2.gz SSQKVNCLGRUIMB-UHFFFAOYSA-N 1 2 351.454 3.011 20 30 FGEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(C2CC2)n1C1CC1 ZINC000570601428 506203094 /nfs/dbraw/zinc/20/30/94/506203094.db2.gz SSQKVNCLGRUIMB-UHFFFAOYSA-N 1 2 351.454 3.011 20 30 FGEDLO C=CC[C@H]1N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCCC1(C)C ZINC000447424121 500604570 /nfs/dbraw/zinc/60/45/70/500604570.db2.gz VGRHTAWPKDBHQA-MRXNPFEDSA-N 1 2 354.454 3.175 20 30 FGEDLO N#CCCC[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000433029663 500609244 /nfs/dbraw/zinc/60/92/44/500609244.db2.gz TVOFMBSNLLJJBV-MRXNPFEDSA-N 1 2 368.462 3.033 20 30 FGEDLO C=CC[C@@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000442829243 500631710 /nfs/dbraw/zinc/63/17/10/500631710.db2.gz UITVLUPHXLEUAR-XMSQKQJNSA-N 1 2 372.509 3.269 20 30 FGEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000433326841 500673233 /nfs/dbraw/zinc/67/32/33/500673233.db2.gz PSFQZIOROFLPMD-AWEZNQCLSA-N 1 2 355.360 3.172 20 30 FGEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000433326841 500673237 /nfs/dbraw/zinc/67/32/37/500673237.db2.gz PSFQZIOROFLPMD-AWEZNQCLSA-N 1 2 355.360 3.172 20 30 FGEDLO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000443108852 500681335 /nfs/dbraw/zinc/68/13/35/500681335.db2.gz KAGRROBVHNKEBY-FQEVSTJZSA-N 1 2 363.461 3.391 20 30 FGEDLO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000443108852 500681338 /nfs/dbraw/zinc/68/13/38/500681338.db2.gz KAGRROBVHNKEBY-FQEVSTJZSA-N 1 2 363.461 3.391 20 30 FGEDLO C=CC[N@@H+](Cc1c(C)nn(CC(=O)OCC)c1C)Cc1ccccc1F ZINC000437693638 500682389 /nfs/dbraw/zinc/68/23/89/500682389.db2.gz RSAHQIHNTXZHPE-UHFFFAOYSA-N 1 2 359.445 3.390 20 30 FGEDLO C=CC[N@H+](Cc1c(C)nn(CC(=O)OCC)c1C)Cc1ccccc1F ZINC000437693638 500682391 /nfs/dbraw/zinc/68/23/91/500682391.db2.gz RSAHQIHNTXZHPE-UHFFFAOYSA-N 1 2 359.445 3.390 20 30 FGEDLO CCn1c2ccc(F)cc2[nH+]c1Cn1cc(C#N)c(=O)c2nc(C)ccc21 ZINC000443552662 500737135 /nfs/dbraw/zinc/73/71/35/500737135.db2.gz NWNVIBDIUOQKOJ-UHFFFAOYSA-N 1 2 361.380 3.134 20 30 FGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448606093 500783538 /nfs/dbraw/zinc/78/35/38/500783538.db2.gz SVIDHJTWAWANCZ-DJJJIMSYSA-N 1 2 352.463 3.190 20 30 FGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448606093 500783540 /nfs/dbraw/zinc/78/35/40/500783540.db2.gz SVIDHJTWAWANCZ-DJJJIMSYSA-N 1 2 352.463 3.190 20 30 FGEDLO N#C[C@]1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC12CCCC2 ZINC000448765860 500827975 /nfs/dbraw/zinc/82/79/75/500827975.db2.gz UGBUEPULCUHADA-KRWDZBQOSA-N 1 2 373.254 3.187 20 30 FGEDLO N#Cc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1Br ZINC000448832762 500846801 /nfs/dbraw/zinc/84/68/01/500846801.db2.gz DWLYCHIPSNFZHY-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579049 506220202 /nfs/dbraw/zinc/22/02/02/506220202.db2.gz HDMGGZQFGHHZGH-GOEBONIOSA-N 1 2 351.397 3.025 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579049 506220206 /nfs/dbraw/zinc/22/02/06/506220206.db2.gz HDMGGZQFGHHZGH-GOEBONIOSA-N 1 2 351.397 3.025 20 30 FGEDLO COc1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1C#N ZINC000440623691 501030398 /nfs/dbraw/zinc/03/03/98/501030398.db2.gz KPGZUQWVZDMIGK-HUUCEWRRSA-N 1 2 352.438 3.188 20 30 FGEDLO N#C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000440626893 501031231 /nfs/dbraw/zinc/03/12/31/501031231.db2.gz SDRGITXOQWBSSL-FGZHOGPDSA-N 1 2 374.488 3.064 20 30 FGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435907709 501044568 /nfs/dbraw/zinc/04/45/68/501044568.db2.gz LJROZUAQKLCXTD-YWZLYKJASA-N 1 2 372.490 3.139 20 30 FGEDLO CCC1CCC([NH2+]CCOc2ccc(C#N)cc2OC)(C(=O)OC)CC1 ZINC000440910515 501062412 /nfs/dbraw/zinc/06/24/12/501062412.db2.gz ITVMVLSTDYHJIW-UHFFFAOYSA-N 1 2 360.454 3.047 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000441618978 501158367 /nfs/dbraw/zinc/15/83/67/501158367.db2.gz HSQKMLHNICPOAX-SFTDATJTSA-N 1 2 353.462 3.228 20 30 FGEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000441618978 501158369 /nfs/dbraw/zinc/15/83/69/501158369.db2.gz HSQKMLHNICPOAX-SFTDATJTSA-N 1 2 353.462 3.228 20 30 FGEDLO C=CCOc1ccc(CC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000450146547 501193447 /nfs/dbraw/zinc/19/34/47/501193447.db2.gz UTAVCKNUNJMYKR-GOSISDBHSA-N 1 2 353.466 3.009 20 30 FGEDLO Cc1cccc([C@H](CNc2nc3ncccc3cc2C#N)[NH+]2CCOCC2)c1 ZINC000596073658 506241204 /nfs/dbraw/zinc/24/12/04/506241204.db2.gz LCCQMCHOUZXNOO-FQEVSTJZSA-N 1 2 373.460 3.295 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000455481362 501314879 /nfs/dbraw/zinc/31/48/79/501314879.db2.gz WZQOMRKDIKPPGU-RYQLBKOJSA-N 1 2 351.454 3.445 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451565317 501326011 /nfs/dbraw/zinc/32/60/11/501326011.db2.gz HOOXSOFEORBONV-HNNXBMFYSA-N 1 2 364.287 3.001 20 30 FGEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451565317 501326014 /nfs/dbraw/zinc/32/60/14/501326014.db2.gz HOOXSOFEORBONV-HNNXBMFYSA-N 1 2 364.287 3.001 20 30 FGEDLO Cc1cc(C)c(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000455561016 501334763 /nfs/dbraw/zinc/33/47/63/501334763.db2.gz QDYRIACPJVHNEF-UHFFFAOYSA-N 1 2 364.449 3.323 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451890934 501394061 /nfs/dbraw/zinc/39/40/61/501394061.db2.gz NUHDZOBHIUDEMQ-GWCFXTLKSA-N 1 2 363.177 3.066 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451890934 501394062 /nfs/dbraw/zinc/39/40/62/501394062.db2.gz NUHDZOBHIUDEMQ-GWCFXTLKSA-N 1 2 363.177 3.066 20 30 FGEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1C#N ZINC000458287925 501412703 /nfs/dbraw/zinc/41/27/03/501412703.db2.gz PJPGASXUDQVBRY-UHFFFAOYSA-N 1 2 356.451 3.003 20 30 FGEDLO C=CCc1ccc(OCC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(OC)c1 ZINC000452451086 501503723 /nfs/dbraw/zinc/50/37/23/501503723.db2.gz JUQAEHJPOMVJDS-LJQANCHMSA-N 1 2 369.465 3.146 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000459229193 501616435 /nfs/dbraw/zinc/61/64/35/501616435.db2.gz DIESOBAECDIMSM-KRWDZBQOSA-N 1 2 372.513 3.241 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@@H](C)C1 ZINC000459229193 501616437 /nfs/dbraw/zinc/61/64/37/501616437.db2.gz DIESOBAECDIMSM-KRWDZBQOSA-N 1 2 372.513 3.241 20 30 FGEDLO C=C(CC)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000454791251 501630498 /nfs/dbraw/zinc/63/04/98/501630498.db2.gz XMHIKQIPZQAFRI-UHFFFAOYSA-N 1 2 365.275 3.213 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454904765 501652936 /nfs/dbraw/zinc/65/29/36/501652936.db2.gz QNAYFJMQCNTKFZ-RDTXWAMCSA-N 1 2 374.872 3.306 20 30 FGEDLO Cc1nsc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C#N ZINC000459557611 501676098 /nfs/dbraw/zinc/67/60/98/501676098.db2.gz HLMDIYAFLVFELI-UHFFFAOYSA-N 1 2 358.471 3.244 20 30 FGEDLO CCCCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000459588840 501682137 /nfs/dbraw/zinc/68/21/37/501682137.db2.gz GYDJEPFYCSBJPH-UHFFFAOYSA-N 1 2 353.470 3.250 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(C#N)c1C ZINC000459631613 501689914 /nfs/dbraw/zinc/68/99/14/501689914.db2.gz IPYKKNAPQVNNRJ-QWRGUYRKSA-N 1 2 358.467 3.391 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc2c(s1)CCC2 ZINC000459632260 501689943 /nfs/dbraw/zinc/68/99/43/501689943.db2.gz JDYUJHRBDGREOJ-JTQLQIEISA-N 1 2 360.870 3.446 20 30 FGEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[nH]1 ZINC000459716827 501703558 /nfs/dbraw/zinc/70/35/58/501703558.db2.gz WBQGKACNIPVLDU-UHFFFAOYSA-N 1 2 363.469 3.169 20 30 FGEDLO C=CCOCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000470776174 501799132 /nfs/dbraw/zinc/79/91/32/501799132.db2.gz FNDYWOYZLNWMAD-OAHLLOKOSA-N 1 2 361.408 3.028 20 30 FGEDLO C=CCOCCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C ZINC000470776174 501799139 /nfs/dbraw/zinc/79/91/39/501799139.db2.gz FNDYWOYZLNWMAD-OAHLLOKOSA-N 1 2 361.408 3.028 20 30 FGEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c(Cl)c1 ZINC000463856582 501840389 /nfs/dbraw/zinc/84/03/89/501840389.db2.gz DCMNYXPOOKADGI-UHFFFAOYSA-N 1 2 372.837 3.080 20 30 FGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000485715271 501912432 /nfs/dbraw/zinc/91/24/32/501912432.db2.gz HOKPRKMNSROQFU-YJYMSZOUSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000485715271 501912436 /nfs/dbraw/zinc/91/24/36/501912436.db2.gz HOKPRKMNSROQFU-YJYMSZOUSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000485715266 501912531 /nfs/dbraw/zinc/91/25/31/501912531.db2.gz HOKPRKMNSROQFU-DJJJIMSYSA-N 1 2 355.800 3.325 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000485715266 501912534 /nfs/dbraw/zinc/91/25/34/501912534.db2.gz HOKPRKMNSROQFU-DJJJIMSYSA-N 1 2 355.800 3.325 20 30 FGEDLO Cc1cccn2cc(COc3ccc(C(=O)N[C@@H](C#N)C(C)C)cc3)[nH+]c12 ZINC000464304875 501948896 /nfs/dbraw/zinc/94/88/96/501948896.db2.gz BZJYYBOHRKJFFT-IBGZPJMESA-N 1 2 362.433 3.500 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000464885979 502138247 /nfs/dbraw/zinc/13/82/47/502138247.db2.gz ABYLTBBQKWYCGM-UHFFFAOYSA-N 1 2 363.436 3.493 20 30 FGEDLO CCCCOc1ccccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471806703 502142440 /nfs/dbraw/zinc/14/24/40/502142440.db2.gz XZAAMKOEZJUIMH-UHFFFAOYSA-N 1 2 367.497 3.101 20 30 FGEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)cs1 ZINC000468707592 502154649 /nfs/dbraw/zinc/15/46/49/502154649.db2.gz PVWAKDLWJMDTKH-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)cs1 ZINC000468707592 502154653 /nfs/dbraw/zinc/15/46/53/502154653.db2.gz PVWAKDLWJMDTKH-OAHLLOKOSA-N 1 2 371.510 3.138 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000461960828 502254136 /nfs/dbraw/zinc/25/41/36/502254136.db2.gz VCNOXNQOFZDFPS-NUEKZKHPSA-N 1 2 357.845 3.154 20 30 FGEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000476228125 502421148 /nfs/dbraw/zinc/42/11/48/502421148.db2.gz IDYPNKKTXFJCPS-FQEVSTJZSA-N 1 2 363.461 3.124 20 30 FGEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211037 506313155 /nfs/dbraw/zinc/31/31/55/506313155.db2.gz MAQUGSIHAGBJAE-AWEZNQCLSA-N 1 2 367.457 3.092 20 30 FGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211037 506313160 /nfs/dbraw/zinc/31/31/60/506313160.db2.gz MAQUGSIHAGBJAE-AWEZNQCLSA-N 1 2 367.457 3.092 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483975107 502537615 /nfs/dbraw/zinc/53/76/15/502537615.db2.gz KUARKNLHXOHCQZ-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483975107 502537619 /nfs/dbraw/zinc/53/76/19/502537619.db2.gz KUARKNLHXOHCQZ-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487935763 502571775 /nfs/dbraw/zinc/57/17/75/502571775.db2.gz OKXFYMHSLHHQOZ-UHFFFAOYSA-N 1 2 374.242 3.103 20 30 FGEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C(N)=O)cc1 ZINC000487989717 502592776 /nfs/dbraw/zinc/59/27/76/502592776.db2.gz FFKQMHBWGSJTDM-OAHLLOKOSA-N 1 2 369.293 3.171 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000473567418 502639804 /nfs/dbraw/zinc/63/98/04/502639804.db2.gz GXHOGTMJXMALNG-LAUBAEHRSA-N 1 2 360.498 3.129 20 30 FGEDLO C[C@@H]1C[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)N1CC#N ZINC000602859878 506328786 /nfs/dbraw/zinc/32/87/86/506328786.db2.gz ZRKKNQOBCAJIGL-HEWAKGLMSA-N 1 2 374.337 3.019 20 30 FGEDLO C[C@@H]1C[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)N1CC#N ZINC000602859878 506328791 /nfs/dbraw/zinc/32/87/91/506328791.db2.gz ZRKKNQOBCAJIGL-HEWAKGLMSA-N 1 2 374.337 3.019 20 30 FGEDLO C=CCCS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000480932393 502708615 /nfs/dbraw/zinc/70/86/15/502708615.db2.gz VDDUFRXBPRIMAG-HNNXBMFYSA-N 1 2 360.882 3.112 20 30 FGEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000484690567 502709839 /nfs/dbraw/zinc/70/98/39/502709839.db2.gz PORQHTRMYOMDNC-HNNXBMFYSA-N 1 2 351.516 3.332 20 30 FGEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000484690567 502709843 /nfs/dbraw/zinc/70/98/43/502709843.db2.gz PORQHTRMYOMDNC-HNNXBMFYSA-N 1 2 351.516 3.332 20 30 FGEDLO C=CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000474009234 502778048 /nfs/dbraw/zinc/77/80/48/502778048.db2.gz MAHLLHPEBQNTNZ-ROUUACIJSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000474009234 502778054 /nfs/dbraw/zinc/77/80/54/502778054.db2.gz MAHLLHPEBQNTNZ-ROUUACIJSA-N 1 2 365.905 3.367 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1C ZINC000485057810 502811413 /nfs/dbraw/zinc/81/14/13/502811413.db2.gz RUTAKINQZHXMHO-UHFFFAOYSA-N 1 2 365.477 3.494 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)c1C ZINC000485057810 502811417 /nfs/dbraw/zinc/81/14/17/502811417.db2.gz RUTAKINQZHXMHO-UHFFFAOYSA-N 1 2 365.477 3.494 20 30 FGEDLO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000500834163 502874072 /nfs/dbraw/zinc/87/40/72/502874072.db2.gz JOCAWBORZZJINU-FUHIMQAGSA-N 1 2 354.498 3.210 20 30 FGEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000505307786 502886381 /nfs/dbraw/zinc/88/63/81/502886381.db2.gz JEAVVIYFVMRPDR-HXUWFJFHSA-N 1 2 360.417 3.233 20 30 FGEDLO CC(C)Oc1cc[nH+]c(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000593020906 506341513 /nfs/dbraw/zinc/34/15/13/506341513.db2.gz HNXQBKCMKNKEQO-OAQYLSRUSA-N 1 2 368.456 3.390 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506058810 503038501 /nfs/dbraw/zinc/03/85/01/503038501.db2.gz BECLQDYONZONAW-UHFFFAOYSA-N 1 2 362.408 3.204 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000506252317 503078766 /nfs/dbraw/zinc/07/87/66/503078766.db2.gz CJZNBRYDYPFILM-HXUWFJFHSA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000506252317 503078767 /nfs/dbraw/zinc/07/87/67/503078767.db2.gz CJZNBRYDYPFILM-HXUWFJFHSA-N 1 2 357.498 3.297 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000490046631 503099092 /nfs/dbraw/zinc/09/90/92/503099092.db2.gz UWKNWMFTELEHMY-KRWDZBQOSA-N 1 2 363.889 3.302 20 30 FGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000490046631 503099094 /nfs/dbraw/zinc/09/90/94/503099094.db2.gz UWKNWMFTELEHMY-KRWDZBQOSA-N 1 2 363.889 3.302 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)c1 ZINC000506690984 503157508 /nfs/dbraw/zinc/15/75/08/503157508.db2.gz UUDNRKAQEWUWTB-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C[C@H](CSc1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000593045298 506356525 /nfs/dbraw/zinc/35/65/25/506356525.db2.gz HYPSTMCVWBCJAU-MRXNPFEDSA-N 1 2 374.531 3.445 20 30 FGEDLO C[C@H](CSc1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000593045298 506356533 /nfs/dbraw/zinc/35/65/33/506356533.db2.gz HYPSTMCVWBCJAU-MRXNPFEDSA-N 1 2 374.531 3.445 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000502496690 503210551 /nfs/dbraw/zinc/21/05/51/503210551.db2.gz UOMZZAHPBNQCME-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000502496690 503210554 /nfs/dbraw/zinc/21/05/54/503210554.db2.gz UOMZZAHPBNQCME-UHFFFAOYSA-N 1 2 367.399 3.242 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(OC(F)F)c1 ZINC000511650348 503362158 /nfs/dbraw/zinc/36/21/58/503362158.db2.gz SWGHTSRYUTULOL-OLZOCXBDSA-N 1 2 364.314 3.152 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(OC(F)F)c1 ZINC000511650348 503362160 /nfs/dbraw/zinc/36/21/60/503362160.db2.gz SWGHTSRYUTULOL-OLZOCXBDSA-N 1 2 364.314 3.152 20 30 FGEDLO CN(C)c1ccc(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)c[nH+]1 ZINC000515545170 503363022 /nfs/dbraw/zinc/36/30/22/503363022.db2.gz ODHQKQVGQUOOBY-UHFFFAOYSA-N 1 2 355.804 3.394 20 30 FGEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000507873165 503384373 /nfs/dbraw/zinc/38/43/73/503384373.db2.gz MGHDHEWPDIRDGZ-UHFFFAOYSA-N 1 2 353.397 3.179 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492789875 503385303 /nfs/dbraw/zinc/38/53/03/503385303.db2.gz NRYBRFXUBQKKNF-QWHCGFSZSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492789875 503385306 /nfs/dbraw/zinc/38/53/06/503385306.db2.gz NRYBRFXUBQKKNF-QWHCGFSZSA-N 1 2 363.177 3.208 20 30 FGEDLO N#C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000499575483 503435437 /nfs/dbraw/zinc/43/54/37/503435437.db2.gz MOUMHRATUXHYEJ-HTAPYJJXSA-N 1 2 354.413 3.080 20 30 FGEDLO N#C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@]12c1ccccc1NC2=O ZINC000499575483 503435441 /nfs/dbraw/zinc/43/54/41/503435441.db2.gz MOUMHRATUXHYEJ-HTAPYJJXSA-N 1 2 354.413 3.080 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)OCC ZINC000508288722 503468627 /nfs/dbraw/zinc/46/86/27/503468627.db2.gz OBRNDTPVFJCFIU-GHTZIAJQSA-N 1 2 374.525 3.489 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)OCC ZINC000508288722 503468631 /nfs/dbraw/zinc/46/86/31/503468631.db2.gz OBRNDTPVFJCFIU-GHTZIAJQSA-N 1 2 374.525 3.489 20 30 FGEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000508316794 503473431 /nfs/dbraw/zinc/47/34/31/503473431.db2.gz MKJJWQBUHIMHLE-KRWDZBQOSA-N 1 2 363.461 3.303 20 30 FGEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000508316794 503473436 /nfs/dbraw/zinc/47/34/36/503473436.db2.gz MKJJWQBUHIMHLE-KRWDZBQOSA-N 1 2 363.461 3.303 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccc(CO)o1 ZINC000512171576 503476230 /nfs/dbraw/zinc/47/62/30/503476230.db2.gz XLCLXQSCPVKVFS-MRXNPFEDSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccc(CO)o1 ZINC000512171576 503476235 /nfs/dbraw/zinc/47/62/35/503476235.db2.gz XLCLXQSCPVKVFS-MRXNPFEDSA-N 1 2 354.450 3.128 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(CO)o1 ZINC000512211473 503487691 /nfs/dbraw/zinc/48/76/91/503487691.db2.gz HJRHQQCQIBQNKP-UHFFFAOYSA-N 1 2 372.469 3.100 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(CO)o1 ZINC000512211473 503487695 /nfs/dbraw/zinc/48/76/95/503487695.db2.gz HJRHQQCQIBQNKP-UHFFFAOYSA-N 1 2 372.469 3.100 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512217835 503489316 /nfs/dbraw/zinc/48/93/16/503489316.db2.gz HALXCWWUEHMATM-YLJYHZDGSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(CO)o1 ZINC000512217835 503489320 /nfs/dbraw/zinc/48/93/20/503489320.db2.gz HALXCWWUEHMATM-YLJYHZDGSA-N 1 2 360.498 3.331 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(CO)o1 ZINC000512229235 503492228 /nfs/dbraw/zinc/49/22/28/503492228.db2.gz QUPZLJVMNQOWGF-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(CO)o1 ZINC000512229235 503492231 /nfs/dbraw/zinc/49/22/31/503492231.db2.gz QUPZLJVMNQOWGF-UHFFFAOYSA-N 1 2 350.365 3.067 20 30 FGEDLO C/C(=C\c1ccccc1)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494266875 503516275 /nfs/dbraw/zinc/51/62/75/503516275.db2.gz BOEKLEJUOGQYEF-SAPNQHFASA-N 1 2 354.475 3.367 20 30 FGEDLO C/C(=C\c1ccccc1)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000494266875 503516280 /nfs/dbraw/zinc/51/62/80/503516280.db2.gz BOEKLEJUOGQYEF-SAPNQHFASA-N 1 2 354.475 3.367 20 30 FGEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1=O ZINC000500030276 503537511 /nfs/dbraw/zinc/53/75/11/503537511.db2.gz SWMXCSHCOIIVQT-GOSISDBHSA-N 1 2 370.884 3.324 20 30 FGEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1=O ZINC000500030276 503537517 /nfs/dbraw/zinc/53/75/17/503537517.db2.gz SWMXCSHCOIIVQT-GOSISDBHSA-N 1 2 370.884 3.324 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCc2sccc2C1)Cc1cnn(C(C)C)c1 ZINC000512506170 503572477 /nfs/dbraw/zinc/57/24/77/503572477.db2.gz HZOCAOUCNTYVTR-UHFFFAOYSA-N 1 2 372.538 3.489 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1cnn(C(C)C)c1 ZINC000512506170 503572482 /nfs/dbraw/zinc/57/24/82/503572482.db2.gz HZOCAOUCNTYVTR-UHFFFAOYSA-N 1 2 372.538 3.489 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000512531576 503578145 /nfs/dbraw/zinc/57/81/45/503578145.db2.gz HHBUDBOQPYHDNG-PXNSSMCTSA-N 1 2 359.518 3.285 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000512531576 503578149 /nfs/dbraw/zinc/57/81/49/503578149.db2.gz HHBUDBOQPYHDNG-PXNSSMCTSA-N 1 2 359.518 3.285 20 30 FGEDLO CCn1cc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)C)cn1 ZINC000593080390 506380833 /nfs/dbraw/zinc/38/08/33/506380833.db2.gz IDWJQYXYJIRBHW-UHFFFAOYSA-N 1 2 353.470 3.060 20 30 FGEDLO CCn1cc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)C)cn1 ZINC000593080390 506380838 /nfs/dbraw/zinc/38/08/38/506380838.db2.gz IDWJQYXYJIRBHW-UHFFFAOYSA-N 1 2 353.470 3.060 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1)OCC ZINC000527259231 503743225 /nfs/dbraw/zinc/74/32/25/503743225.db2.gz JEONUJXHTCTLGF-OAHLLOKOSA-N 1 2 371.403 3.120 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c(F)c1 ZINC000527357658 503776291 /nfs/dbraw/zinc/77/62/91/503776291.db2.gz ONGRCZVJDXGSQZ-UHFFFAOYSA-N 1 2 367.453 3.471 20 30 FGEDLO N#Cc1ccc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)s1 ZINC000540517327 503802208 /nfs/dbraw/zinc/80/22/08/503802208.db2.gz LLXSEXMPPKATPV-UHFFFAOYSA-N 1 2 362.458 3.257 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000543543529 503807950 /nfs/dbraw/zinc/80/79/50/503807950.db2.gz UUVDUCQKSBUGGK-LLVKDONJSA-N 1 2 373.482 3.260 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000537127513 503811791 /nfs/dbraw/zinc/81/17/91/503811791.db2.gz TUCMDKGVXCGTKZ-UHFFFAOYSA-N 1 2 360.373 3.116 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)c1C#N ZINC000517785178 503837123 /nfs/dbraw/zinc/83/71/23/503837123.db2.gz VBYRGTNXRXIZHC-UHFFFAOYSA-N 1 2 356.495 3.433 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(CC#N)ccn3)c2C1 ZINC000546830052 503893325 /nfs/dbraw/zinc/89/33/25/503893325.db2.gz OKWNAHNTOQHAQH-UHFFFAOYSA-N 1 2 371.444 3.326 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(CC#N)ccn3)c2C1 ZINC000546830052 503893330 /nfs/dbraw/zinc/89/33/30/503893330.db2.gz OKWNAHNTOQHAQH-UHFFFAOYSA-N 1 2 371.444 3.326 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1C#N ZINC000533758532 503944234 /nfs/dbraw/zinc/94/42/34/503944234.db2.gz GOVMDUVOVZFFER-GOSISDBHSA-N 1 2 364.401 3.411 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1C#N ZINC000533758532 503944237 /nfs/dbraw/zinc/94/42/37/503944237.db2.gz GOVMDUVOVZFFER-GOSISDBHSA-N 1 2 364.401 3.411 20 30 FGEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1C#N ZINC000533776396 503949336 /nfs/dbraw/zinc/94/93/36/503949336.db2.gz RMTRJLXVQSCQKB-YWZLYKJASA-N 1 2 350.418 3.307 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1C#N ZINC000533776396 503949342 /nfs/dbraw/zinc/94/93/42/503949342.db2.gz RMTRJLXVQSCQKB-YWZLYKJASA-N 1 2 350.418 3.307 20 30 FGEDLO Cc1c(Cl)cnc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1C#N ZINC000541279417 504071882 /nfs/dbraw/zinc/07/18/82/504071882.db2.gz VCIVSHWUWSWBGD-OAHLLOKOSA-N 1 2 362.886 3.462 20 30 FGEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)nc1 ZINC000518920071 504093709 /nfs/dbraw/zinc/09/37/09/504093709.db2.gz BZUJMECJZPCNSC-QGZVFWFLSA-N 1 2 373.416 3.488 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000518957854 504103251 /nfs/dbraw/zinc/10/32/51/504103251.db2.gz DAURXUVNAUKLAA-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000518957854 504103255 /nfs/dbraw/zinc/10/32/55/504103255.db2.gz DAURXUVNAUKLAA-LJQANCHMSA-N 1 2 357.498 3.297 20 30 FGEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022575 504118644 /nfs/dbraw/zinc/11/86/44/504118644.db2.gz VGTZOIZPQDXVIY-DOTOQJQBSA-N 1 2 360.820 3.244 20 30 FGEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538022575 504118648 /nfs/dbraw/zinc/11/86/48/504118648.db2.gz VGTZOIZPQDXVIY-DOTOQJQBSA-N 1 2 360.820 3.244 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)Cc3cccc(C#N)c3)n2)CC1 ZINC000530919007 504130336 /nfs/dbraw/zinc/13/03/36/504130336.db2.gz DYELDBUBCKZBJD-UHFFFAOYSA-N 1 2 354.479 3.428 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C#N ZINC000534469667 504150597 /nfs/dbraw/zinc/15/05/97/504150597.db2.gz LBHVKCSCSKIGPB-RMKBEBRYSA-N 1 2 370.474 3.275 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C#N ZINC000534469667 504150603 /nfs/dbraw/zinc/15/06/03/504150603.db2.gz LBHVKCSCSKIGPB-RMKBEBRYSA-N 1 2 370.474 3.275 20 30 FGEDLO C=CCOc1cccnc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000538237250 504172980 /nfs/dbraw/zinc/17/29/80/504172980.db2.gz OEESMQUOBJSXSO-UHFFFAOYSA-N 1 2 366.465 3.352 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000528447282 504228337 /nfs/dbraw/zinc/22/83/37/504228337.db2.gz YRUBXWGGTSTBDH-LLVKDONJSA-N 1 2 353.235 3.001 20 30 FGEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000528447282 504228339 /nfs/dbraw/zinc/22/83/39/504228339.db2.gz YRUBXWGGTSTBDH-LLVKDONJSA-N 1 2 353.235 3.001 20 30 FGEDLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000519573786 504258549 /nfs/dbraw/zinc/25/85/49/504258549.db2.gz WUGNKGCRMRHYFJ-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000519573786 504258555 /nfs/dbraw/zinc/25/85/55/504258555.db2.gz WUGNKGCRMRHYFJ-UHFFFAOYSA-N 1 2 370.478 3.116 20 30 FGEDLO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3C#N)CC1)O[C@@H](C)C2 ZINC000535069101 504333590 /nfs/dbraw/zinc/33/35/90/504333590.db2.gz PEHURXITPOVPKL-INIZCTEOSA-N 1 2 363.461 3.212 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000531549281 504342563 /nfs/dbraw/zinc/34/25/63/504342563.db2.gz OVDUVOQSHRQGJM-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2cccc(Br)c2C1 ZINC000531549281 504342568 /nfs/dbraw/zinc/34/25/68/504342568.db2.gz OVDUVOQSHRQGJM-AWEZNQCLSA-N 1 2 363.299 3.396 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000548302671 504392148 /nfs/dbraw/zinc/39/21/48/504392148.db2.gz POUYIMMEPHUDBP-FQEVSTJZSA-N 1 2 352.434 3.043 20 30 FGEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000548302671 504392151 /nfs/dbraw/zinc/39/21/51/504392151.db2.gz POUYIMMEPHUDBP-FQEVSTJZSA-N 1 2 352.434 3.043 20 30 FGEDLO CS[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000542306653 504444771 /nfs/dbraw/zinc/44/47/71/504444771.db2.gz KMGCBFBMCVFXHN-SFHVURJKSA-N 1 2 374.554 3.163 20 30 FGEDLO CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1nnc2ccccn21 ZINC000542542027 504534343 /nfs/dbraw/zinc/53/43/43/504534343.db2.gz LIYJCNNUPHNTSJ-SFHVURJKSA-N 1 2 373.420 3.138 20 30 FGEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000539461808 504580728 /nfs/dbraw/zinc/58/07/28/504580728.db2.gz ZGALJDSDJGVZQZ-IRXDYDNUSA-N 1 2 364.559 3.081 20 30 FGEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000548848694 504590404 /nfs/dbraw/zinc/59/04/04/504590404.db2.gz SCUBTANAKRYHET-HNNXBMFYSA-N 1 2 372.542 3.461 20 30 FGEDLO C=CCn1c(N2CC[NH+]([C@H](C)c3nccs3)CC2)nnc1C(C)(C)C ZINC000548852441 504592241 /nfs/dbraw/zinc/59/22/41/504592241.db2.gz WOWIEGRIDMOJMT-CQSZACIVSA-N 1 2 360.531 3.101 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)sc1SCC#N ZINC000521056411 504639116 /nfs/dbraw/zinc/63/91/16/504639116.db2.gz FVSSRGXLUCKPSG-ZDUSSCGKSA-N 1 2 372.519 3.453 20 30 FGEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)sc1SCC#N ZINC000521056411 504639120 /nfs/dbraw/zinc/63/91/20/504639120.db2.gz FVSSRGXLUCKPSG-ZDUSSCGKSA-N 1 2 372.519 3.453 20 30 FGEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)c1C#N ZINC000529556861 504726701 /nfs/dbraw/zinc/72/67/01/504726701.db2.gz QENKZWLBKRNATR-UHFFFAOYSA-N 1 2 369.416 3.003 20 30 FGEDLO Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000543137093 504738349 /nfs/dbraw/zinc/73/83/49/504738349.db2.gz MMYFDNOODJSTRD-MSOLQXFVSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000543137093 504738352 /nfs/dbraw/zinc/73/83/52/504738352.db2.gz MMYFDNOODJSTRD-MSOLQXFVSA-N 1 2 356.857 3.399 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3OC3CC3)CC2)c1C#N ZINC000562539064 504852348 /nfs/dbraw/zinc/85/23/48/504852348.db2.gz KVQLQTWCUVLBPQ-UHFFFAOYSA-N 1 2 354.479 3.187 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4ccc(C#N)cc43)cn2c1 ZINC000559474028 504870745 /nfs/dbraw/zinc/87/07/45/504870745.db2.gz NOIYPOZBRCBTRF-UHFFFAOYSA-N 1 2 362.458 3.337 20 30 FGEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000549692095 504875116 /nfs/dbraw/zinc/87/51/16/504875116.db2.gz OZEHMHPKKSWXOX-UHFFFAOYSA-N 1 2 359.905 3.392 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2[nH+]ccn21 ZINC000562609947 504877825 /nfs/dbraw/zinc/87/78/25/504877825.db2.gz JSCXODWSZARFSI-KSSFIOAISA-N 1 2 365.437 3.014 20 30 FGEDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c2[nH+]ccn21 ZINC000562609390 504878118 /nfs/dbraw/zinc/87/81/18/504878118.db2.gz OQRZKUPHLCIDFN-SKDRFNHKSA-N 1 2 365.315 3.481 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000556613539 504920716 /nfs/dbraw/zinc/92/07/16/504920716.db2.gz XAYUYNSGSANVDK-MSOLQXFVSA-N 1 2 352.438 3.351 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000559933490 504953596 /nfs/dbraw/zinc/95/35/96/504953596.db2.gz XQKOEMVTYYMLLA-UHFFFAOYSA-N 1 2 374.853 3.203 20 30 FGEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563376670 505125633 /nfs/dbraw/zinc/12/56/33/505125633.db2.gz LCNJXYAWYQFJLL-UHFFFAOYSA-N 1 2 350.422 3.334 20 30 FGEDLO CCOc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1O ZINC000550960778 505131595 /nfs/dbraw/zinc/13/15/95/505131595.db2.gz MHLXNAGQOZAFGV-IBGZPJMESA-N 1 2 351.450 3.173 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C)nc(C#N)c3)CC2)cs1 ZINC000557607514 505181401 /nfs/dbraw/zinc/18/14/01/505181401.db2.gz XATMPMRBJXUZSW-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C)nc(C#N)c3)CC2)cs1 ZINC000557607514 505181406 /nfs/dbraw/zinc/18/14/06/505181406.db2.gz XATMPMRBJXUZSW-HNNXBMFYSA-N 1 2 371.510 3.138 20 30 FGEDLO N#Cc1cccc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000561339046 505319359 /nfs/dbraw/zinc/31/93/59/505319359.db2.gz UNQBHAKIARWMID-UHFFFAOYSA-N 1 2 372.226 3.212 20 30 FGEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000558218389 505337905 /nfs/dbraw/zinc/33/79/05/505337905.db2.gz SHMABFAMBIMXRU-NRFANRHFSA-N 1 2 363.461 3.375 20 30 FGEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000558218389 505337909 /nfs/dbraw/zinc/33/79/09/505337909.db2.gz SHMABFAMBIMXRU-NRFANRHFSA-N 1 2 363.461 3.375 20 30 FGEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000555274557 505396571 /nfs/dbraw/zinc/39/65/71/505396571.db2.gz WSBANQBBQOLESV-UHFFFAOYSA-N 1 2 374.558 3.284 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3OC(C)C)CC2)c1C#N ZINC000564397755 505407528 /nfs/dbraw/zinc/40/75/28/505407528.db2.gz RBMVCNCXSQAEHV-UHFFFAOYSA-N 1 2 356.495 3.433 20 30 FGEDLO COc1ccc2oc(C[NH+]3CCN(c4snc(C)c4C#N)CC3)cc2c1 ZINC000558570280 505426726 /nfs/dbraw/zinc/42/67/26/505426726.db2.gz ULNZDSOPWDQZBU-UHFFFAOYSA-N 1 2 368.462 3.400 20 30 FGEDLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC000564533259 505443874 /nfs/dbraw/zinc/44/38/74/505443874.db2.gz QXRQLFFIDRNDRO-UHFFFAOYSA-N 1 2 361.442 3.493 20 30 FGEDLO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000561873486 505456250 /nfs/dbraw/zinc/45/62/50/505456250.db2.gz QSOGLQSCKGAFLC-MRXNPFEDSA-N 1 2 364.287 3.201 20 30 FGEDLO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000561873486 505456255 /nfs/dbraw/zinc/45/62/55/505456255.db2.gz QSOGLQSCKGAFLC-MRXNPFEDSA-N 1 2 364.287 3.201 20 30 FGEDLO C=CCCCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000564666812 505486765 /nfs/dbraw/zinc/48/67/65/505486765.db2.gz QWGDAZMTRLXKOQ-IAGOWNOFSA-N 1 2 360.502 3.241 20 30 FGEDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794481 505516030 /nfs/dbraw/zinc/51/60/30/505516030.db2.gz XTQWDCBCOMXDGR-CZUORRHYSA-N 1 2 361.511 3.182 20 30 FGEDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000555794481 505516031 /nfs/dbraw/zinc/51/60/31/505516031.db2.gz XTQWDCBCOMXDGR-CZUORRHYSA-N 1 2 361.511 3.182 20 30 FGEDLO N#Cc1ccccc1OC[C@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000599249450 506387121 /nfs/dbraw/zinc/38/71/21/506387121.db2.gz BVDBTRLCQFTOIV-QGZVFWFLSA-N 1 2 352.390 3.186 20 30 FGEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1F ZINC000599267297 506389945 /nfs/dbraw/zinc/38/99/45/506389945.db2.gz ZCKZEMKNAWPAJB-UHFFFAOYSA-N 1 2 351.425 3.272 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc2ccccc21 ZINC000593154245 506428886 /nfs/dbraw/zinc/42/88/86/506428886.db2.gz BAMNZUFSUSTKFM-KRWDZBQOSA-N 1 2 360.255 3.176 20 30 FGEDLO COC(=O)c1ccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000599443838 506457810 /nfs/dbraw/zinc/45/78/10/506457810.db2.gz VQWWTOIBAZTKPT-UHFFFAOYSA-N 1 2 362.351 3.371 20 30 FGEDLO COC(=O)c1ccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000599443838 506457815 /nfs/dbraw/zinc/45/78/15/506457815.db2.gz VQWWTOIBAZTKPT-UHFFFAOYSA-N 1 2 362.351 3.371 20 30 FGEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000589164049 506466383 /nfs/dbraw/zinc/46/63/83/506466383.db2.gz NEOAINSXNZPABW-GDBMZVCRSA-N 1 2 355.438 3.339 20 30 FGEDLO COCCOCc1cc(C#N)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000603272769 506474206 /nfs/dbraw/zinc/47/42/06/506474206.db2.gz VXCBOHGSJSRDKG-UHFFFAOYSA-N 1 2 366.465 3.329 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C#N ZINC000589272771 506504135 /nfs/dbraw/zinc/50/41/35/506504135.db2.gz VSCPIJCWNCJUDZ-UXHICEINSA-N 1 2 350.466 3.442 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1C#N ZINC000589272771 506504139 /nfs/dbraw/zinc/50/41/39/506504139.db2.gz VSCPIJCWNCJUDZ-UXHICEINSA-N 1 2 350.466 3.442 20 30 FGEDLO N#CC1(CNC(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCCC1 ZINC000593372572 506581439 /nfs/dbraw/zinc/58/14/39/506581439.db2.gz XKNAHDHTSVJOTH-UHFFFAOYSA-N 1 2 365.481 3.399 20 30 FGEDLO Cc1cccc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000603629008 506582408 /nfs/dbraw/zinc/58/24/08/506582408.db2.gz TZGAJQWFKUAEOU-UHFFFAOYSA-N 1 2 373.460 3.235 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC1(C#N)CCCC1 ZINC000593432995 506617543 /nfs/dbraw/zinc/61/75/43/506617543.db2.gz BYMOGPBEEGKRLQ-QGZVFWFLSA-N 1 2 351.454 3.087 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000593458133 506630544 /nfs/dbraw/zinc/63/05/44/506630544.db2.gz PSOLZIVEDZJPFR-CQSZACIVSA-N 1 2 363.248 3.450 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCOc2ccccc2C1 ZINC000603909409 506654901 /nfs/dbraw/zinc/65/49/01/506654901.db2.gz VAUNMUOAQJSFFI-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCOc2ccccc2C1 ZINC000603909409 506654904 /nfs/dbraw/zinc/65/49/04/506654904.db2.gz VAUNMUOAQJSFFI-ZDUSSCGKSA-N 1 2 355.825 3.433 20 30 FGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000583353703 506732964 /nfs/dbraw/zinc/73/29/64/506732964.db2.gz DKHXLSXQMFLVNK-QGZVFWFLSA-N 1 2 354.372 3.347 20 30 FGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000583353703 506732968 /nfs/dbraw/zinc/73/29/68/506732968.db2.gz DKHXLSXQMFLVNK-QGZVFWFLSA-N 1 2 354.372 3.347 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609139039 506789105 /nfs/dbraw/zinc/78/91/05/506789105.db2.gz FJZPRZXMDUSIKA-GOSISDBHSA-N 1 2 369.494 3.035 20 30 FGEDLO Cc1nsc(N2CC[NH+](Cc3cc4ccc(C)cc4[nH]3)CC2)c1C#N ZINC000597133462 506793846 /nfs/dbraw/zinc/79/38/46/506793846.db2.gz SPLRDZSPWNRAEA-UHFFFAOYSA-N 1 2 351.479 3.435 20 30 FGEDLO C[C@@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000597150238 506801267 /nfs/dbraw/zinc/80/12/67/506801267.db2.gz XSGGXQKHRCGSAD-WMLDXEAASA-N 1 2 363.889 3.158 20 30 FGEDLO C[C@@H](CC#N)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000597150238 506801271 /nfs/dbraw/zinc/80/12/71/506801271.db2.gz XSGGXQKHRCGSAD-WMLDXEAASA-N 1 2 363.889 3.158 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H](C)CC#N)cc1 ZINC000597155206 506802574 /nfs/dbraw/zinc/80/25/74/506802574.db2.gz VKEMAJUNQPCSFL-QGZVFWFLSA-N 1 2 354.454 3.250 20 30 FGEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000600157932 506811476 /nfs/dbraw/zinc/81/14/76/506811476.db2.gz CVWGAGCFJGJBQE-UHFFFAOYSA-N 1 2 356.420 3.483 20 30 FGEDLO C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC000583502772 506815648 /nfs/dbraw/zinc/81/56/48/506815648.db2.gz DMSQXYOBAFOWJH-OAHLLOKOSA-N 1 2 365.437 3.056 20 30 FGEDLO N#Cc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)c(F)c1 ZINC000609239077 506823690 /nfs/dbraw/zinc/82/36/90/506823690.db2.gz HMZDFIGOEUZARZ-UHFFFAOYSA-N 1 2 363.186 3.478 20 30 FGEDLO N#Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)sc1Cl ZINC000590574109 506865019 /nfs/dbraw/zinc/86/50/19/506865019.db2.gz BPLWAMZJJGXRDJ-UHFFFAOYSA-N 1 2 368.840 3.445 20 30 FGEDLO COc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1Cl ZINC000590702254 506917792 /nfs/dbraw/zinc/91/77/92/506917792.db2.gz CZHGOUIEZGXHCV-UHFFFAOYSA-N 1 2 372.856 3.408 20 30 FGEDLO COc1ccc([C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000609676936 506972725 /nfs/dbraw/zinc/97/27/25/506972725.db2.gz HMEAZNRPMZSLNE-VXKWHMMOSA-N 1 2 371.440 3.472 20 30 FGEDLO COCc1cc(NCc2ccc(C#N)c(OC)c2)c2cc(F)ccc2[nH+]1 ZINC000583914072 507047796 /nfs/dbraw/zinc/04/77/96/507047796.db2.gz MUVWMHATXVXQHI-UHFFFAOYSA-N 1 2 351.381 3.435 20 30 FGEDLO C=CCOCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000591202873 507152712 /nfs/dbraw/zinc/15/27/12/507152712.db2.gz DNLBPHXWHAKKCO-UHFFFAOYSA-N 1 2 361.445 3.417 20 30 FGEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@H](CC#N)C3)c2C1 ZINC000597907272 507166489 /nfs/dbraw/zinc/16/64/89/507166489.db2.gz ZDBHKIRWQNPDMN-INIZCTEOSA-N 1 2 362.477 3.379 20 30 FGEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@H](CC#N)C3)c2C1 ZINC000597907272 507166494 /nfs/dbraw/zinc/16/64/94/507166494.db2.gz ZDBHKIRWQNPDMN-INIZCTEOSA-N 1 2 362.477 3.379 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@H]2Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000610430991 507235573 /nfs/dbraw/zinc/23/55/73/507235573.db2.gz BOBBTJHYMVYIBY-MSOLQXFVSA-N 1 2 362.437 3.381 20 30 FGEDLO Cc1cccn2c(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c[nH+]c12 ZINC000598261379 507348552 /nfs/dbraw/zinc/34/85/52/507348552.db2.gz GQJPEDLFLHIDHE-HNNXBMFYSA-N 1 2 363.396 3.119 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846786 507411964 /nfs/dbraw/zinc/41/19/64/507411964.db2.gz HOZXOYWLUYHRHP-INIZCTEOSA-N 1 2 373.460 3.297 20 30 FGEDLO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)cc2)c1 ZINC000592149650 507509261 /nfs/dbraw/zinc/50/92/61/507509261.db2.gz SWSCYDUVBHRCAP-OAQYLSRUSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@](O)(CC#N)C3)cc2)c1 ZINC000592149650 507509269 /nfs/dbraw/zinc/50/92/69/507509269.db2.gz SWSCYDUVBHRCAP-OAQYLSRUSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000614578712 507570773 /nfs/dbraw/zinc/57/07/73/507570773.db2.gz VVLHCZXMNPCYAU-IBGZPJMESA-N 1 2 350.466 3.443 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000614578712 507570780 /nfs/dbraw/zinc/57/07/80/507570780.db2.gz VVLHCZXMNPCYAU-IBGZPJMESA-N 1 2 350.466 3.443 20 30 FGEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC000595603616 507586362 /nfs/dbraw/zinc/58/63/62/507586362.db2.gz ZQAFDEXGPBMDSX-UHFFFAOYSA-N 1 2 369.856 3.206 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000611260252 507587775 /nfs/dbraw/zinc/58/77/75/507587775.db2.gz NWILLNMLENFSPA-UHFFFAOYSA-N 1 2 362.433 3.022 20 30 FGEDLO C=CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000611259657 507588535 /nfs/dbraw/zinc/58/85/35/507588535.db2.gz AMXDXEAVBSUQQK-UHFFFAOYSA-N 1 2 364.449 3.311 20 30 FGEDLO N#CCCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccc(F)cc1 ZINC000602097004 507589736 /nfs/dbraw/zinc/58/97/36/507589736.db2.gz PSJMQXRETVQSHG-CQSZACIVSA-N 1 2 354.307 3.463 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)COC ZINC000595638578 507607249 /nfs/dbraw/zinc/60/72/49/507607249.db2.gz IOIJRRNJFXXRIK-AWEZNQCLSA-N 1 2 361.511 3.350 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)COC ZINC000595638578 507607253 /nfs/dbraw/zinc/60/72/53/507607253.db2.gz IOIJRRNJFXXRIK-AWEZNQCLSA-N 1 2 361.511 3.350 20 30 FGEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CC(F)(F)F)CC2)C1=O ZINC000585755865 507618046 /nfs/dbraw/zinc/61/80/46/507618046.db2.gz SAWPDINMSSLPPO-CYBMUJFWSA-N 1 2 357.401 3.389 20 30 FGEDLO CC(C)C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)n1cc[nH+]c1 ZINC000602183608 507619821 /nfs/dbraw/zinc/61/98/21/507619821.db2.gz PAXWLYVUCBRFKH-LJQANCHMSA-N 1 2 366.465 3.164 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602189550 507622259 /nfs/dbraw/zinc/62/22/59/507622259.db2.gz FFJQZTNWOPPVJL-UHFFFAOYSA-N 1 2 373.460 3.320 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000611349971 507633959 /nfs/dbraw/zinc/63/39/59/507633959.db2.gz SNDZRPFGBWYIKM-DJJJIMSYSA-N 1 2 356.495 3.138 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595714383 507644866 /nfs/dbraw/zinc/64/48/66/507644866.db2.gz UFOZBHQPTQPTAL-AWEZNQCLSA-N 1 2 366.490 3.119 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595714383 507644869 /nfs/dbraw/zinc/64/48/69/507644869.db2.gz UFOZBHQPTQPTAL-AWEZNQCLSA-N 1 2 366.490 3.119 20 30 FGEDLO C=CCCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000595723341 507648345 /nfs/dbraw/zinc/64/83/45/507648345.db2.gz WWQGCOFZRXUVJZ-MRXNPFEDSA-N 1 2 362.474 3.257 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595757752 507670021 /nfs/dbraw/zinc/67/00/21/507670021.db2.gz FFFHAAVNMCTXOA-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595757752 507670028 /nfs/dbraw/zinc/67/00/28/507670028.db2.gz FFFHAAVNMCTXOA-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1cccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCOCC2)c1 ZINC000595769358 507676135 /nfs/dbraw/zinc/67/61/35/507676135.db2.gz QIBAVKMTTRDAIF-UHFFFAOYSA-N 1 2 362.389 3.134 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822122 507699739 /nfs/dbraw/zinc/69/97/39/507699739.db2.gz MTAXZVJHLJRCRZ-QGZVFWFLSA-N 1 2 367.493 3.213 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822122 507699745 /nfs/dbraw/zinc/69/97/45/507699745.db2.gz MTAXZVJHLJRCRZ-QGZVFWFLSA-N 1 2 367.493 3.213 20 30 FGEDLO N#Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1O ZINC000586875398 507701308 /nfs/dbraw/zinc/70/13/08/507701308.db2.gz DUKLJAJVJDSLJU-GOSISDBHSA-N 1 2 361.401 3.118 20 30 FGEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000587062767 507705784 /nfs/dbraw/zinc/70/57/84/507705784.db2.gz ZXRBKKIOTMWLNY-KRWDZBQOSA-N 1 2 358.401 3.292 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595838683 507708390 /nfs/dbraw/zinc/70/83/90/507708390.db2.gz CVKCYRBYWDLLCS-KSFYIVLOSA-N 1 2 365.477 3.431 20 30 FGEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC000595838683 507708396 /nfs/dbraw/zinc/70/83/96/507708396.db2.gz CVKCYRBYWDLLCS-KSFYIVLOSA-N 1 2 365.477 3.431 20 30 FGEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968460 507709768 /nfs/dbraw/zinc/70/97/68/507709768.db2.gz UBXNQECGBPRHDV-QZTJIDSGSA-N 1 2 367.453 3.064 20 30 FGEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)C1 ZINC000614968460 507709774 /nfs/dbraw/zinc/70/97/74/507709774.db2.gz UBXNQECGBPRHDV-QZTJIDSGSA-N 1 2 367.453 3.064 20 30 FGEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1F ZINC000611552377 507735163 /nfs/dbraw/zinc/73/51/63/507735163.db2.gz XKDPVCSADLATLE-IBGZPJMESA-N 1 2 357.404 3.356 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c1 ZINC000068810495 695944166 /nfs/dbraw/zinc/94/41/66/695944166.db2.gz LOCZAQNLLYRWPK-UHFFFAOYSA-N 1 2 354.475 3.469 20 30 FGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(SC)c(OC)c2)c1 ZINC000068810495 695944167 /nfs/dbraw/zinc/94/41/67/695944167.db2.gz LOCZAQNLLYRWPK-UHFFFAOYSA-N 1 2 354.475 3.469 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000112968848 700566519 /nfs/dbraw/zinc/56/65/19/700566519.db2.gz JACSKWZNMXLHLZ-UHFFFAOYSA-N 1 2 358.785 3.236 20 30 FGEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000113249227 700569857 /nfs/dbraw/zinc/56/98/57/700569857.db2.gz CFOQNGJLNYVHFH-LBPRGKRZSA-N 1 2 361.829 3.207 20 30 FGEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ncc(C)s3)c2)n1 ZINC000179902856 705720521 /nfs/dbraw/zinc/72/05/21/705720521.db2.gz HQGDZFRFVLDBFB-UHFFFAOYSA-N 1 2 355.467 3.150 20 30 FGEDLO C#CCCOc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000185616319 712698308 /nfs/dbraw/zinc/69/83/08/712698308.db2.gz BPZAYOAXEOVHDM-QGZVFWFLSA-N 1 2 355.507 3.424 20 30 FGEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000185889306 712704190 /nfs/dbraw/zinc/70/41/90/712704190.db2.gz XMAATVOQZZWSBK-RISCZKNCSA-N 1 2 360.259 3.406 20 30 FGEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000186159694 712710762 /nfs/dbraw/zinc/71/07/62/712710762.db2.gz PPTNZWIQOPORAH-UHFFFAOYSA-N 1 2 353.853 3.478 20 30 FGEDLO C=CCOCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000310252097 713798510 /nfs/dbraw/zinc/79/85/10/713798510.db2.gz YKFWOWFPIAQBIY-UHFFFAOYSA-N 1 2 365.065 3.209 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000619768101 714869515 /nfs/dbraw/zinc/86/95/15/714869515.db2.gz IPLPPSTZBJNNLB-UHFFFAOYSA-N 1 2 374.897 3.301 20 30 FGEDLO C[C@H]1C[NH+]=C(NN=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)N1 ZINC000779785757 724426895 /nfs/dbraw/zinc/42/68/95/724426895.db2.gz OMXNQVDARKOXBG-QMMMGPOBSA-N 1 2 354.266 3.388 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000730096224 722465225 /nfs/dbraw/zinc/46/52/25/722465225.db2.gz KJCLATDAXGEHBF-IBGZPJMESA-N 1 2 351.475 3.410 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000730096224 722465226 /nfs/dbraw/zinc/46/52/26/722465226.db2.gz KJCLATDAXGEHBF-IBGZPJMESA-N 1 2 351.475 3.410 20 30 FGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000741764341 722548941 /nfs/dbraw/zinc/54/89/41/722548941.db2.gz FXDFKYSZUCUWBG-UHFFFAOYSA-N 1 2 357.410 3.035 20 30 FGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000742354164 722556234 /nfs/dbraw/zinc/55/62/34/722556234.db2.gz BGRQTMBRILKKFM-UHFFFAOYSA-N 1 2 354.328 3.473 20 30 FGEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccccc2Br)cn1 ZINC000790153796 723110376 /nfs/dbraw/zinc/11/03/76/723110376.db2.gz KLGQRXOPGZIVKY-UHFFFAOYSA-N 1 2 363.259 3.373 20 30 FGEDLO C[C@@]12CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]1C2(Cl)Cl ZINC000792914628 723381955 /nfs/dbraw/zinc/38/19/55/723381955.db2.gz QLSFFINJQNQITC-DOTOQJQBSA-N 1 2 366.292 3.449 20 30 FGEDLO C[C@@]12CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]1C2(Cl)Cl ZINC000792914628 723381959 /nfs/dbraw/zinc/38/19/59/723381959.db2.gz QLSFFINJQNQITC-DOTOQJQBSA-N 1 2 366.292 3.449 20 30 FGEDLO CSc1ccccc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793518143 723445354 /nfs/dbraw/zinc/44/53/54/723445354.db2.gz TXAQMSHAXZTXBL-UHFFFAOYSA-N 1 2 353.491 3.410 20 30 FGEDLO CSc1ccccc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793518143 723445357 /nfs/dbraw/zinc/44/53/57/723445357.db2.gz TXAQMSHAXZTXBL-UHFFFAOYSA-N 1 2 353.491 3.410 20 30 FGEDLO COC[C@@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940167 723640655 /nfs/dbraw/zinc/64/06/55/723640655.db2.gz HGTZGNMBQGWNPQ-CABCVRRESA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000767940167 723640657 /nfs/dbraw/zinc/64/06/57/723640657.db2.gz HGTZGNMBQGWNPQ-CABCVRRESA-N 1 2 357.479 3.221 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCCOC2)O1 ZINC000796607838 723646362 /nfs/dbraw/zinc/64/63/62/723646362.db2.gz YNJMLBQYHXBTOC-RDTXWAMCSA-N 1 2 350.846 3.012 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@@]2(CCCOC2)O1 ZINC000796607838 723646363 /nfs/dbraw/zinc/64/63/63/723646363.db2.gz YNJMLBQYHXBTOC-RDTXWAMCSA-N 1 2 350.846 3.012 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@@H](C)C2)cc1OC ZINC000769456552 723685982 /nfs/dbraw/zinc/68/59/82/723685982.db2.gz MLXUQWRGBRMURL-ZDUSSCGKSA-N 1 2 370.287 3.491 20 30 FGEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@@H](C)C2)cc1OC ZINC000769456552 723685983 /nfs/dbraw/zinc/68/59/83/723685983.db2.gz MLXUQWRGBRMURL-ZDUSSCGKSA-N 1 2 370.287 3.491 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000799174317 723995067 /nfs/dbraw/zinc/99/50/67/723995067.db2.gz MXWTWNHHKBUNCO-UHFFFAOYSA-N 1 2 359.779 3.102 20 30 FGEDLO O[C@@H](C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799297951 724003364 /nfs/dbraw/zinc/00/33/64/724003364.db2.gz SKCMOISMQNJJGZ-SBMIAAHKSA-N 1 2 360.273 3.317 20 30 FGEDLO O[C@@H](C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cn1 ZINC000799297951 724003366 /nfs/dbraw/zinc/00/33/66/724003366.db2.gz SKCMOISMQNJJGZ-SBMIAAHKSA-N 1 2 360.273 3.317 20 30 FGEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)[C@@H]1CCCO1 ZINC000775784896 724061822 /nfs/dbraw/zinc/06/18/22/724061822.db2.gz LXYGSOMUBYGSOS-HOTGVXAUSA-N 1 2 358.463 3.098 20 30 FGEDLO C=CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806081350 725115101 /nfs/dbraw/zinc/11/51/01/725115101.db2.gz HWFFKKRTKBQSHE-RBUKOAKNSA-N 1 2 351.535 3.408 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000811503536 725370090 /nfs/dbraw/zinc/37/00/90/725370090.db2.gz RWUBGICMQPELHB-GOSISDBHSA-N 1 2 362.499 3.238 20 30 FGEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000811503536 725370091 /nfs/dbraw/zinc/37/00/91/725370091.db2.gz RWUBGICMQPELHB-GOSISDBHSA-N 1 2 362.499 3.238 20 30 FGEDLO C=C(Cl)CSc1nc(C)c(CC(=O)OCCn2cc[nH+]c2)s1 ZINC000820858101 729037978 /nfs/dbraw/zinc/03/79/78/729037978.db2.gz NGENORDZNPWBKU-UHFFFAOYSA-N 1 2 357.888 3.279 20 30 FGEDLO Nc1ccc(/C=C\C(=O)c2ccc(I)cc2)c[nH+]1 ZINC000821032416 729052034 /nfs/dbraw/zinc/05/20/34/729052034.db2.gz UDJHYSZJYVINQG-XFSBKJJWSA-N 1 2 350.159 3.165 20 30 FGEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C#Cc3cccs3)CC2)c1 ZINC000825703073 729392094 /nfs/dbraw/zinc/39/20/94/729392094.db2.gz IKIQAEAZGMAJGZ-MRXNPFEDSA-N 1 2 354.475 3.014 20 30 FGEDLO C[C@@]1(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1(Cl)Cl ZINC000828127035 729440294 /nfs/dbraw/zinc/44/02/94/729440294.db2.gz YPFZCWXSPKPLJO-HNNXBMFYSA-N 1 2 355.269 3.130 20 30 FGEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000831691044 729661829 /nfs/dbraw/zinc/66/18/29/729661829.db2.gz HASLBXVQMXIFOU-LBPRGKRZSA-N 1 2 351.244 3.289 20 30 FGEDLO COC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745070 729729462 /nfs/dbraw/zinc/72/94/62/729729462.db2.gz IJMCGMZGALMYEY-HUUCEWRRSA-N 1 2 357.479 3.221 20 30 FGEDLO COC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000832745070 729729465 /nfs/dbraw/zinc/72/94/65/729729465.db2.gz IJMCGMZGALMYEY-HUUCEWRRSA-N 1 2 357.479 3.221 20 30 FGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(C(=O)OC)c(F)c2)s1 ZINC000835020930 729850095 /nfs/dbraw/zinc/85/00/95/729850095.db2.gz QNWDTAGFVNRLLR-UHFFFAOYSA-N 1 2 350.419 3.361 20 30 FGEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000837523671 730037949 /nfs/dbraw/zinc/03/79/49/730037949.db2.gz MECDPZROTCBIRG-UHFFFAOYSA-N 1 2 351.277 3.487 20 30 FGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3OC)n(C)c2=S)C1 ZINC000842628350 730521640 /nfs/dbraw/zinc/52/16/40/730521640.db2.gz XJINNESHICPPBH-OAHLLOKOSA-N 1 2 356.495 3.319 20 30 FGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3OC)n(C)c2=S)C1 ZINC000842628350 730521645 /nfs/dbraw/zinc/52/16/45/730521645.db2.gz XJINNESHICPPBH-OAHLLOKOSA-N 1 2 356.495 3.319 20 30 FGEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844366825 730707898 /nfs/dbraw/zinc/70/78/98/730707898.db2.gz OWUVETFOQTTWSL-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844366825 730707902 /nfs/dbraw/zinc/70/79/02/730707902.db2.gz OWUVETFOQTTWSL-GOSISDBHSA-N 1 2 357.841 3.124 20 30 FGEDLO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000844444410 730719930 /nfs/dbraw/zinc/71/99/30/730719930.db2.gz ZOIZHAIZJDUKGE-UHFFFAOYSA-N 1 2 350.488 3.142 20 30 FGEDLO C#CCC[N@@H+](CCOC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000852752117 731629843 /nfs/dbraw/zinc/62/98/43/731629843.db2.gz TUZWKBYAYDLKIG-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO C#CCC[N@H+](CCOC)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000852752117 731629847 /nfs/dbraw/zinc/62/98/47/731629847.db2.gz TUZWKBYAYDLKIG-UHFFFAOYSA-N 1 2 360.479 3.299 20 30 FGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000858210578 732192779 /nfs/dbraw/zinc/19/27/79/732192779.db2.gz ASLSAQSIGRWUEH-UHFFFAOYSA-N 1 2 357.763 3.394 20 30 FGEDLO C#CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000862444883 732837265 /nfs/dbraw/zinc/83/72/65/732837265.db2.gz HYDFCNHDPJEMJO-SNVBAGLBSA-N 1 2 358.077 3.452 20 30 FGEDLO C#CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000862444883 732837275 /nfs/dbraw/zinc/83/72/75/732837275.db2.gz HYDFCNHDPJEMJO-SNVBAGLBSA-N 1 2 358.077 3.452 20 30 FGEDLO FC(F)(F)c1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccn1 ZINC000863180563 732920295 /nfs/dbraw/zinc/92/02/95/732920295.db2.gz CHTBSODQJCUBBT-UHFFFAOYSA-N 1 2 356.373 3.445 20 30 FGEDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CC[NH2+]2)c1 ZINC000870152154 733817011 /nfs/dbraw/zinc/81/70/11/733817011.db2.gz LTBKDQCGFAZTSA-SFHVURJKSA-N 1 2 355.825 3.007 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000877126127 736190115 /nfs/dbraw/zinc/19/01/15/736190115.db2.gz YOUVOLLLYNXWCJ-AWEZNQCLSA-N 1 2 355.747 3.449 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617255 736693812 /nfs/dbraw/zinc/69/38/12/736693812.db2.gz UJPCVDMQAJNSEO-SWLSCSKDSA-N 1 2 364.877 3.484 20 30 FGEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877617255 736693816 /nfs/dbraw/zinc/69/38/16/736693816.db2.gz UJPCVDMQAJNSEO-SWLSCSKDSA-N 1 2 364.877 3.484 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158917 736962148 /nfs/dbraw/zinc/96/21/48/736962148.db2.gz OEKZWAUMYJFGNA-GFCCVEGCSA-N 1 2 362.861 3.314 20 30 FGEDLO CCOC(=O)c1csc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000880264428 737144437 /nfs/dbraw/zinc/14/44/37/737144437.db2.gz VNBZZLBXFVVCRK-OAHLLOKOSA-N 1 2 360.483 3.018 20 30 FGEDLO C=CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000886759258 739293000 /nfs/dbraw/zinc/29/30/00/739293000.db2.gz ACLGFCORYRXPJF-UHFFFAOYSA-N 1 2 359.495 3.136 20 30 FGEDLO CC(C)C[N@H+](Cc1nc(Br)nn1C)Cc1ccc(C#N)cc1 ZINC000893959032 742218835 /nfs/dbraw/zinc/21/88/35/742218835.db2.gz REVLSCVKGPLDRL-UHFFFAOYSA-N 1 2 362.275 3.107 20 30 FGEDLO CC(C)C[N@@H+](Cc1nc(Br)nn1C)Cc1ccc(C#N)cc1 ZINC000893959032 742218840 /nfs/dbraw/zinc/21/88/40/742218840.db2.gz REVLSCVKGPLDRL-UHFFFAOYSA-N 1 2 362.275 3.107 20 30 FGEDLO Cc1cc(C)c2ncc(C#N)c(NCc3nc(C[NH+](C)C)cs3)c2c1 ZINC000895484683 742418243 /nfs/dbraw/zinc/41/82/43/742418243.db2.gz TYPXGKHBWATJES-UHFFFAOYSA-N 1 2 351.479 3.275 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897616362 742696327 /nfs/dbraw/zinc/69/63/27/742696327.db2.gz OPFWZVWWGCKVMX-LLVKDONJSA-N 1 2 367.762 3.405 20 30 FGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897616362 742696330 /nfs/dbraw/zinc/69/63/30/742696330.db2.gz OPFWZVWWGCKVMX-LLVKDONJSA-N 1 2 367.762 3.405 20 30 FGEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000904118585 743930738 /nfs/dbraw/zinc/93/07/38/743930738.db2.gz ISQHDROOZRRTLL-GOEBONIOSA-N 1 2 363.845 3.110 20 30 FGEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccsc3C#N)CC2)cc1 ZINC000906811918 744162081 /nfs/dbraw/zinc/16/20/81/744162081.db2.gz YMMHSGVNUONWGT-UHFFFAOYSA-N 1 2 354.479 3.085 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)nc1N ZINC000930457288 760616342 /nfs/dbraw/zinc/61/63/42/760616342.db2.gz YGCKCWVCIKQPCN-UHFFFAOYSA-N 1 2 366.259 3.090 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Br)nc1N ZINC000930457288 760616344 /nfs/dbraw/zinc/61/63/44/760616344.db2.gz YGCKCWVCIKQPCN-UHFFFAOYSA-N 1 2 366.259 3.090 20 30 FGEDLO N#Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC000933633329 761443101 /nfs/dbraw/zinc/44/31/01/761443101.db2.gz MGDHPDQLKMTLTI-SFHVURJKSA-N 1 2 354.841 3.001 20 30 FGEDLO N#Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 ZINC000933633329 761443105 /nfs/dbraw/zinc/44/31/05/761443105.db2.gz MGDHPDQLKMTLTI-SFHVURJKSA-N 1 2 354.841 3.001 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)C1 ZINC000933653842 761447577 /nfs/dbraw/zinc/44/75/77/761447577.db2.gz KOZMETWTSLHGBX-UHFFFAOYSA-N 1 2 359.813 3.228 20 30 FGEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)C1 ZINC000933659698 761449170 /nfs/dbraw/zinc/44/91/70/761449170.db2.gz ZJAIZSKXPBTMBR-UHFFFAOYSA-N 1 2 359.813 3.228 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336574 761601467 /nfs/dbraw/zinc/60/14/67/761601467.db2.gz RMWMSNMRGMQQLL-GXTWGEPZSA-N 1 2 358.467 3.116 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336574 761601474 /nfs/dbraw/zinc/60/14/74/761601474.db2.gz RMWMSNMRGMQQLL-GXTWGEPZSA-N 1 2 358.467 3.116 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067320 762852833 /nfs/dbraw/zinc/85/28/33/762852833.db2.gz NPCGJQJRMWEYRC-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067320 762852840 /nfs/dbraw/zinc/85/28/40/762852840.db2.gz NPCGJQJRMWEYRC-OWCLPIDISA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000969861287 762862971 /nfs/dbraw/zinc/86/29/71/762862971.db2.gz JEZRDKDOWHIIEY-IPELMVKDSA-N 1 2 362.901 3.343 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC000977330606 763354615 /nfs/dbraw/zinc/35/46/15/763354615.db2.gz WJLJNDNRWYPZNG-YDHLFZDLSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC000977330606 763354624 /nfs/dbraw/zinc/35/46/24/763354624.db2.gz WJLJNDNRWYPZNG-YDHLFZDLSA-N 1 2 361.313 3.113 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000982173993 763574469 /nfs/dbraw/zinc/57/44/69/763574469.db2.gz SZPURFGBHKCCBF-RDJZCZTQSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000982173993 763574475 /nfs/dbraw/zinc/57/44/75/763574475.db2.gz SZPURFGBHKCCBF-RDJZCZTQSA-N 1 2 368.930 3.417 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001008557144 765674831 /nfs/dbraw/zinc/67/48/31/765674831.db2.gz AVAUSMUZEPSQJQ-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001008557144 765674835 /nfs/dbraw/zinc/67/48/35/765674835.db2.gz AVAUSMUZEPSQJQ-NUJGCVRESA-N 1 2 366.864 3.151 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001015726573 765799988 /nfs/dbraw/zinc/79/99/88/765799988.db2.gz PRNVXRSQNPBWHF-FMKPAKJESA-N 1 2 369.292 3.275 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC001015726573 765799995 /nfs/dbraw/zinc/79/99/95/765799995.db2.gz PRNVXRSQNPBWHF-FMKPAKJESA-N 1 2 369.292 3.275 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001023643424 766046469 /nfs/dbraw/zinc/04/64/69/766046469.db2.gz YBQCWTDOFXEJHO-MOSGJHBISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001023643424 766046477 /nfs/dbraw/zinc/04/64/77/766046477.db2.gz YBQCWTDOFXEJHO-MOSGJHBISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001032048074 766194730 /nfs/dbraw/zinc/19/47/30/766194730.db2.gz TWENJDBQAHOGFS-YJBOKZPZSA-N 1 2 366.864 3.008 20 30 FGEDLO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001033490704 766220034 /nfs/dbraw/zinc/22/00/34/766220034.db2.gz VGABYRBJBPIHIH-CEXWTWQISA-N 1 2 356.897 3.270 20 30 FGEDLO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001033490704 766220036 /nfs/dbraw/zinc/22/00/36/766220036.db2.gz VGABYRBJBPIHIH-CEXWTWQISA-N 1 2 356.897 3.270 20 30 FGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@H]1C(C)C)CC2 ZINC001035707422 766264565 /nfs/dbraw/zinc/26/45/65/766264565.db2.gz IZSKZLGHCLTNMH-IRXDYDNUSA-N 1 2 354.922 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001038794836 766286188 /nfs/dbraw/zinc/28/61/88/766286188.db2.gz GEMNPSBKDBXZQA-ZQIUZPCESA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1sccc1Cl ZINC001038794836 766286193 /nfs/dbraw/zinc/28/61/93/766286193.db2.gz GEMNPSBKDBXZQA-ZQIUZPCESA-N 1 2 368.930 3.463 20 30 FGEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607885 766799428 /nfs/dbraw/zinc/79/94/28/766799428.db2.gz YXSMURUATAUYRF-KCYZZUKISA-N 1 2 353.304 3.151 20 30 FGEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049607885 766799433 /nfs/dbraw/zinc/79/94/33/766799433.db2.gz YXSMURUATAUYRF-KCYZZUKISA-N 1 2 353.304 3.151 20 30 FGEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000573806314 505625733 /nfs/dbraw/zinc/62/57/33/505625733.db2.gz BLVIYVMRPGNAGK-SFHVURJKSA-N 1 2 364.877 3.020 20 30 FGEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000577099376 505663627 /nfs/dbraw/zinc/66/36/27/505663627.db2.gz XZEUTVPWLMBMBX-HOTGVXAUSA-N 1 2 369.444 3.071 20 30 FGEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000577099376 505663632 /nfs/dbraw/zinc/66/36/32/505663632.db2.gz XZEUTVPWLMBMBX-HOTGVXAUSA-N 1 2 369.444 3.071 20 30 FGEDLO CCN(CC)c1ccc(CNC(=O)Nc2cccc(OCC#N)c2)c[nH+]1 ZINC000057812034 493800840 /nfs/dbraw/zinc/80/08/40/493800840.db2.gz ZZPGPVCGNUYCHM-UHFFFAOYSA-N 1 2 353.426 3.152 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1F ZINC000048255624 493808596 /nfs/dbraw/zinc/80/85/96/493808596.db2.gz QDHUJLYXYGPZRP-GOSISDBHSA-N 1 2 363.396 3.020 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1Cl ZINC000568427627 505691495 /nfs/dbraw/zinc/69/14/95/505691495.db2.gz GLRMVCIPPUMFHU-CYBMUJFWSA-N 1 2 362.811 3.383 20 30 FGEDLO N#Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1Cl ZINC000568427627 505691497 /nfs/dbraw/zinc/69/14/97/505691497.db2.gz GLRMVCIPPUMFHU-CYBMUJFWSA-N 1 2 362.811 3.383 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297806 494040722 /nfs/dbraw/zinc/04/07/22/494040722.db2.gz QRTMEDAPMDJKCH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297806 494040728 /nfs/dbraw/zinc/04/07/28/494040728.db2.gz QRTMEDAPMDJKCH-UHFFFAOYSA-N 1 2 355.394 3.230 20 30 FGEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000007855087 494047164 /nfs/dbraw/zinc/04/71/64/494047164.db2.gz RXGFEJXFUGMLBS-KRWDZBQOSA-N 1 2 354.479 3.416 20 30 FGEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000007855087 494047167 /nfs/dbraw/zinc/04/71/67/494047167.db2.gz RXGFEJXFUGMLBS-KRWDZBQOSA-N 1 2 354.479 3.416 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000063741989 494082356 /nfs/dbraw/zinc/08/23/56/494082356.db2.gz GIIFBVSSBCOBBW-GFCCVEGCSA-N 1 2 370.266 3.028 20 30 FGEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063741989 494082358 /nfs/dbraw/zinc/08/23/58/494082358.db2.gz GIIFBVSSBCOBBW-GFCCVEGCSA-N 1 2 370.266 3.028 20 30 FGEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000053509737 494140584 /nfs/dbraw/zinc/14/05/84/494140584.db2.gz WOFLVWHILFHXFL-INIZCTEOSA-N 1 2 364.449 3.027 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)Nc1cccc(C#N)c1)c1[nH+]ccn1C ZINC000054009251 494185262 /nfs/dbraw/zinc/18/52/62/494185262.db2.gz SIWFUBMOSSSUNL-SFHVURJKSA-N 1 2 361.405 3.211 20 30 FGEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000042253649 494212459 /nfs/dbraw/zinc/21/24/59/494212459.db2.gz XHPRHMXTOYXUOH-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000042253649 494212465 /nfs/dbraw/zinc/21/24/65/494212465.db2.gz XHPRHMXTOYXUOH-UHFFFAOYSA-N 1 2 364.268 3.453 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(OC)cc1 ZINC000054272119 494214655 /nfs/dbraw/zinc/21/46/55/494214655.db2.gz ISYFKHZPWVXZQE-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(OC)cc1 ZINC000054272119 494214660 /nfs/dbraw/zinc/21/46/60/494214660.db2.gz ISYFKHZPWVXZQE-UHFFFAOYSA-N 1 2 370.449 3.339 20 30 FGEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000072883651 494275638 /nfs/dbraw/zinc/27/56/38/494275638.db2.gz YOLYCNIXOWMHKO-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO CSc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000072920103 494284130 /nfs/dbraw/zinc/28/41/30/494284130.db2.gz MOODDUUSFHIHHF-JTQLQIEISA-N 1 2 364.496 3.032 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000015742277 494367332 /nfs/dbraw/zinc/36/73/32/494367332.db2.gz DOBORXGPKMSLHH-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO N#Cc1ccc(CSCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696633 494391581 /nfs/dbraw/zinc/39/15/81/494391581.db2.gz TVCPGGYHRHRDPZ-UHFFFAOYSA-N 1 2 362.458 3.294 20 30 FGEDLO C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000079026139 494395065 /nfs/dbraw/zinc/39/50/65/494395065.db2.gz RCLOMYAOPAUQHG-INIZCTEOSA-N 1 2 359.433 3.363 20 30 FGEDLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843486 494418561 /nfs/dbraw/zinc/41/85/61/494418561.db2.gz BEEFUUFARCLMJO-UHFFFAOYSA-N 1 2 351.475 3.238 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066850922 494425491 /nfs/dbraw/zinc/42/54/91/494425491.db2.gz DBFGKTVMBDFJEF-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000066850922 494425495 /nfs/dbraw/zinc/42/54/95/494425495.db2.gz DBFGKTVMBDFJEF-IBGZPJMESA-N 1 2 371.387 3.239 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899441 494435486 /nfs/dbraw/zinc/43/54/86/494435486.db2.gz GDENSFIOVXRRJI-OAHLLOKOSA-N 1 2 369.446 3.167 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899441 494435489 /nfs/dbraw/zinc/43/54/89/494435489.db2.gz GDENSFIOVXRRJI-OAHLLOKOSA-N 1 2 369.446 3.167 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4cccnc43)CC2)cc1 ZINC000019600155 494452636 /nfs/dbraw/zinc/45/26/36/494452636.db2.gz ALMJGFFCZFRVRZ-UHFFFAOYSA-N 1 2 356.429 3.064 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000045751340 494456511 /nfs/dbraw/zinc/45/65/11/494456511.db2.gz NYVXTDGJFXEHTF-UHFFFAOYSA-N 1 2 352.369 3.268 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3cccs3)no2)CC1 ZINC000046086451 494493202 /nfs/dbraw/zinc/49/32/02/494493202.db2.gz CMDHOIBZBMLWPS-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3cccs3)no2)CC1 ZINC000046086451 494493204 /nfs/dbraw/zinc/49/32/04/494493204.db2.gz CMDHOIBZBMLWPS-UHFFFAOYSA-N 1 2 365.462 3.382 20 30 FGEDLO CO/N=C/c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000023780177 494584368 /nfs/dbraw/zinc/58/43/68/494584368.db2.gz KGYRSAMJUIDKLQ-ZMPUUUETSA-N 1 2 366.396 3.059 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361214 494606132 /nfs/dbraw/zinc/60/61/32/494606132.db2.gz JJTKUZYAICZPLX-ZDUSSCGKSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361214 494606139 /nfs/dbraw/zinc/60/61/39/494606139.db2.gz JJTKUZYAICZPLX-ZDUSSCGKSA-N 1 2 367.417 3.400 20 30 FGEDLO C=CC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1F ZINC000092404598 494615919 /nfs/dbraw/zinc/61/59/19/494615919.db2.gz MDPXCDXWPMEZKJ-UHFFFAOYSA-N 1 2 359.445 3.390 20 30 FGEDLO C=CC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1F ZINC000092404598 494615924 /nfs/dbraw/zinc/61/59/24/494615924.db2.gz MDPXCDXWPMEZKJ-UHFFFAOYSA-N 1 2 359.445 3.390 20 30 FGEDLO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1c(F)cccc1F ZINC000115767810 494616601 /nfs/dbraw/zinc/61/66/01/494616601.db2.gz JSEONWJGGWCQNT-MRXNPFEDSA-N 1 2 362.355 3.400 20 30 FGEDLO N#Cc1ccc(N2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000047137421 494641121 /nfs/dbraw/zinc/64/11/21/494641121.db2.gz KLOTXPKDSKIEHH-UHFFFAOYSA-N 1 2 371.444 3.096 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000092534152 494660350 /nfs/dbraw/zinc/66/03/50/494660350.db2.gz ZVKMPLDVNCZAEI-UHFFFAOYSA-N 1 2 359.882 3.160 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000067900255 494688163 /nfs/dbraw/zinc/68/81/63/494688163.db2.gz QGWBVEYOKZDXDN-UHFFFAOYSA-N 1 2 353.853 3.099 20 30 FGEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000091811339 494688585 /nfs/dbraw/zinc/68/85/85/494688585.db2.gz QBYZXCCCNBGMSC-NRFANRHFSA-N 1 2 355.482 3.229 20 30 FGEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000091811339 494688590 /nfs/dbraw/zinc/68/85/90/494688590.db2.gz QBYZXCCCNBGMSC-NRFANRHFSA-N 1 2 355.482 3.229 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H](C#N)c1ccccc1Cl)C(F)(F)F ZINC000571462454 505739265 /nfs/dbraw/zinc/73/92/65/505739265.db2.gz PNSAZJVMSXQYPU-DGCLKSJQSA-N 1 2 370.762 3.491 20 30 FGEDLO Cc1cccc(C2=CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821900 494764102 /nfs/dbraw/zinc/76/41/02/494764102.db2.gz GZMKRJHQTQQRKY-UHFFFAOYSA-N 1 2 366.486 3.430 20 30 FGEDLO Cc1cccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821900 494764106 /nfs/dbraw/zinc/76/41/06/494764106.db2.gz GZMKRJHQTQQRKY-UHFFFAOYSA-N 1 2 366.486 3.430 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025693855 494769836 /nfs/dbraw/zinc/76/98/36/494769836.db2.gz PYMCYAHEFLNGFX-AWEZNQCLSA-N 1 2 351.376 3.056 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025693855 494769844 /nfs/dbraw/zinc/76/98/44/494769844.db2.gz PYMCYAHEFLNGFX-AWEZNQCLSA-N 1 2 351.376 3.056 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)ccc1F ZINC000121671966 494834446 /nfs/dbraw/zinc/83/44/46/494834446.db2.gz RGZOFTIHOOLHBI-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)ccc1F ZINC000121671966 494834448 /nfs/dbraw/zinc/83/44/48/494834448.db2.gz RGZOFTIHOOLHBI-UHFFFAOYSA-N 1 2 369.415 3.113 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cn2c1 ZINC000116807753 494856207 /nfs/dbraw/zinc/85/62/07/494856207.db2.gz YYIMDYJAJVMYSU-KUHUBIRLSA-N 1 2 356.495 3.465 20 30 FGEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCSCC#N ZINC000122268418 494949896 /nfs/dbraw/zinc/94/98/96/494949896.db2.gz DLLBLYCOHFSDCZ-AWEZNQCLSA-N 1 2 371.300 3.242 20 30 FGEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCSCC#N ZINC000122268418 494949899 /nfs/dbraw/zinc/94/98/99/494949899.db2.gz DLLBLYCOHFSDCZ-AWEZNQCLSA-N 1 2 371.300 3.242 20 30 FGEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000118397180 494999599 /nfs/dbraw/zinc/99/95/99/494999599.db2.gz WITHUJVHLHWFMI-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000118399764 495000075 /nfs/dbraw/zinc/00/00/75/495000075.db2.gz QTUXTFFOXGGJLQ-GCJKJVERSA-N 1 2 374.488 3.042 20 30 FGEDLO COc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1OCCCC#N ZINC000128342718 495082746 /nfs/dbraw/zinc/08/27/46/495082746.db2.gz GGHHETCIVUHHAB-UHFFFAOYSA-N 1 2 373.497 3.068 20 30 FGEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000123271032 495106311 /nfs/dbraw/zinc/10/63/11/495106311.db2.gz HRHWRDGWQNUPFU-HNNXBMFYSA-N 1 2 357.397 3.037 20 30 FGEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000123271032 495106315 /nfs/dbraw/zinc/10/63/15/495106315.db2.gz HRHWRDGWQNUPFU-HNNXBMFYSA-N 1 2 357.397 3.037 20 30 FGEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000128543530 495113709 /nfs/dbraw/zinc/11/37/09/495113709.db2.gz KHVNKRQXPDDUKM-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000128543530 495113711 /nfs/dbraw/zinc/11/37/11/495113711.db2.gz KHVNKRQXPDDUKM-KRWDZBQOSA-N 1 2 363.461 3.389 20 30 FGEDLO COCC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000112352686 495179116 /nfs/dbraw/zinc/17/91/16/495179116.db2.gz FTTLYNGHJPEURP-UHFFFAOYSA-N 1 2 361.511 3.186 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000119522930 495182540 /nfs/dbraw/zinc/18/25/40/495182540.db2.gz VNQREUSIKJDLPQ-QGZVFWFLSA-N 1 2 353.466 3.485 20 30 FGEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000119522930 495182543 /nfs/dbraw/zinc/18/25/43/495182543.db2.gz VNQREUSIKJDLPQ-QGZVFWFLSA-N 1 2 353.466 3.485 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000124407890 495282555 /nfs/dbraw/zinc/28/25/55/495282555.db2.gz UKLNGULBYOPYAZ-RDJZCZTQSA-N 1 2 355.438 3.180 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c(C#N)c1C ZINC000120497209 495392215 /nfs/dbraw/zinc/39/22/15/495392215.db2.gz YBYVXUQYYCYABX-UHFFFAOYSA-N 1 2 366.465 3.439 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c(C#N)c1C ZINC000120497209 495392218 /nfs/dbraw/zinc/39/22/18/495392218.db2.gz YBYVXUQYYCYABX-UHFFFAOYSA-N 1 2 366.465 3.439 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000105901218 495394373 /nfs/dbraw/zinc/39/43/73/495394373.db2.gz SCFNFSDXFYXEBR-UHFFFAOYSA-N 1 2 352.369 3.268 20 30 FGEDLO Cc1cc(N2CCC(N(C)C(=O)C3(C#N)CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000105986666 495400689 /nfs/dbraw/zinc/40/06/89/495400689.db2.gz BSYNFYYRWBGIFV-UHFFFAOYSA-N 1 2 369.513 3.420 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(F)c1 ZINC000130846778 495455229 /nfs/dbraw/zinc/45/52/29/495455229.db2.gz OHVCEZUBCUMCOM-UHFFFAOYSA-N 1 2 371.419 3.439 20 30 FGEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000574484297 505783335 /nfs/dbraw/zinc/78/33/35/505783335.db2.gz RGWJUHYNGBFHQN-UHFFFAOYSA-N 1 2 374.444 3.092 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)c1C ZINC000120872637 495475842 /nfs/dbraw/zinc/47/58/42/495475842.db2.gz YRKVEPKMLYRHBN-UHFFFAOYSA-N 1 2 353.466 3.001 20 30 FGEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000120929768 495487088 /nfs/dbraw/zinc/48/70/88/495487088.db2.gz LWTOCZMFNMWNPQ-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000120929768 495487093 /nfs/dbraw/zinc/48/70/93/495487093.db2.gz LWTOCZMFNMWNPQ-SFHVURJKSA-N 1 2 369.852 3.458 20 30 FGEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534098 495514628 /nfs/dbraw/zinc/51/46/28/495514628.db2.gz JBHUIUQYNQABMM-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115534098 495514632 /nfs/dbraw/zinc/51/46/32/495514632.db2.gz JBHUIUQYNQABMM-MRXNPFEDSA-N 1 2 363.339 3.115 20 30 FGEDLO CC[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176208564 495547397 /nfs/dbraw/zinc/54/73/97/495547397.db2.gz UTNWMJXAYQRJBF-KRWDZBQOSA-N 1 2 360.504 3.403 20 30 FGEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176208564 495547401 /nfs/dbraw/zinc/54/74/01/495547401.db2.gz UTNWMJXAYQRJBF-KRWDZBQOSA-N 1 2 360.504 3.403 20 30 FGEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173491118 495555019 /nfs/dbraw/zinc/55/50/19/495555019.db2.gz IOLYIAPVBNORBE-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173491118 495555025 /nfs/dbraw/zinc/55/50/25/495555025.db2.gz IOLYIAPVBNORBE-UHFFFAOYSA-N 1 2 364.405 3.257 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(F)c1 ZINC000154530173 495644839 /nfs/dbraw/zinc/64/48/39/495644839.db2.gz OFNAPFGHXXFZRX-KRWDZBQOSA-N 1 2 370.334 3.228 20 30 FGEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000176447755 495653863 /nfs/dbraw/zinc/65/38/63/495653863.db2.gz MNPDIWPIRNUVHU-HXUWFJFHSA-N 1 2 368.502 3.005 20 30 FGEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000176447755 495653867 /nfs/dbraw/zinc/65/38/67/495653867.db2.gz MNPDIWPIRNUVHU-HXUWFJFHSA-N 1 2 368.502 3.005 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000171067878 495709824 /nfs/dbraw/zinc/70/98/24/495709824.db2.gz SSWQWLSEFYEFEN-UHFFFAOYSA-N 1 2 360.820 3.077 20 30 FGEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000171110956 495729486 /nfs/dbraw/zinc/72/94/86/495729486.db2.gz BWQMNHKTMDAJRF-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000171142599 495741615 /nfs/dbraw/zinc/74/16/15/495741615.db2.gz LMVDYVHVLVYGQW-UHFFFAOYSA-N 1 2 350.426 3.127 20 30 FGEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000174625709 496037729 /nfs/dbraw/zinc/03/77/29/496037729.db2.gz AZUYRIALSFURKG-GFCCVEGCSA-N 1 2 373.840 3.385 20 30 FGEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1O ZINC000174625709 496037736 /nfs/dbraw/zinc/03/77/36/496037736.db2.gz AZUYRIALSFURKG-GFCCVEGCSA-N 1 2 373.840 3.385 20 30 FGEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000183620696 496051532 /nfs/dbraw/zinc/05/15/32/496051532.db2.gz HYRZMGHDZCXOGZ-UHFFFAOYSA-N 1 2 364.449 3.225 20 30 FGEDLO C=CCN(CC1CCCCC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171947880 496104904 /nfs/dbraw/zinc/10/49/04/496104904.db2.gz OBQUHUQJCMMFJQ-UHFFFAOYSA-N 1 2 358.530 3.227 20 30 FGEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)c(C)s1 ZINC000174834185 496125033 /nfs/dbraw/zinc/12/50/33/496125033.db2.gz OQLNNMFPYCZNNL-UHFFFAOYSA-N 1 2 369.556 3.001 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152375831 496131714 /nfs/dbraw/zinc/13/17/14/496131714.db2.gz PHSGGHRBZNXUAN-WMZOPIPTSA-N 1 2 354.853 3.323 20 30 FGEDLO C=CCOCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152375831 496131718 /nfs/dbraw/zinc/13/17/18/496131718.db2.gz PHSGGHRBZNXUAN-WMZOPIPTSA-N 1 2 354.853 3.323 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1F ZINC000577971735 505830682 /nfs/dbraw/zinc/83/06/82/505830682.db2.gz XBKMNVVCFYFENJ-HXUWFJFHSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1F ZINC000577971735 505830687 /nfs/dbraw/zinc/83/06/87/505830687.db2.gz XBKMNVVCFYFENJ-HXUWFJFHSA-N 1 2 363.436 3.247 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000152716927 496236238 /nfs/dbraw/zinc/23/62/38/496236238.db2.gz CAKXSRLHDORFEK-FQEVSTJZSA-N 1 2 364.445 3.301 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000152716927 496236240 /nfs/dbraw/zinc/23/62/40/496236240.db2.gz CAKXSRLHDORFEK-FQEVSTJZSA-N 1 2 364.445 3.301 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177929427 496255352 /nfs/dbraw/zinc/25/53/52/496255352.db2.gz PTPYCHWAKJALHZ-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000152798878 496260232 /nfs/dbraw/zinc/26/02/32/496260232.db2.gz MFBPOPWWTOUONT-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000152798878 496260237 /nfs/dbraw/zinc/26/02/37/496260237.db2.gz MFBPOPWWTOUONT-UHFFFAOYSA-N 1 2 355.463 3.359 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000156503933 496263214 /nfs/dbraw/zinc/26/32/14/496263214.db2.gz SSAYLKXRZJVDTM-QZTJIDSGSA-N 1 2 363.889 3.095 20 30 FGEDLO C=CCN(CC=C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000156503933 496263218 /nfs/dbraw/zinc/26/32/18/496263218.db2.gz SSAYLKXRZJVDTM-QZTJIDSGSA-N 1 2 363.889 3.095 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571878233 505835826 /nfs/dbraw/zinc/83/58/26/505835826.db2.gz RYYXCVJPMZBTFM-WBAXXEDZSA-N 1 2 372.465 3.072 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000571878233 505835830 /nfs/dbraw/zinc/83/58/30/505835830.db2.gz RYYXCVJPMZBTFM-WBAXXEDZSA-N 1 2 372.465 3.072 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000156753567 496326673 /nfs/dbraw/zinc/32/66/73/496326673.db2.gz KNYVCNWRARITFM-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000156753567 496326677 /nfs/dbraw/zinc/32/66/77/496326677.db2.gz KNYVCNWRARITFM-UHFFFAOYSA-N 1 2 372.465 3.178 20 30 FGEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181314850 496350165 /nfs/dbraw/zinc/35/01/65/496350165.db2.gz BABCFPSLCVIYGL-SFHVURJKSA-N 1 2 358.392 3.074 20 30 FGEDLO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000172582260 496351381 /nfs/dbraw/zinc/35/13/81/496351381.db2.gz DCESYQKZTNIEBP-MRXNPFEDSA-N 1 2 359.433 3.491 20 30 FGEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ccnc(C#N)n2)cc1 ZINC000578025714 505844736 /nfs/dbraw/zinc/84/47/36/505844736.db2.gz BAIUGPLEMSOSGV-UHFFFAOYSA-N 1 2 362.437 3.040 20 30 FGEDLO C=CCC[C@H](C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000187606125 496507886 /nfs/dbraw/zinc/50/78/86/496507886.db2.gz RZHJPXPZCVXVID-IBGZPJMESA-N 1 2 350.466 3.184 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175833020 496563619 /nfs/dbraw/zinc/56/36/19/496563619.db2.gz HQDKEUSVUNLMGF-ZIAGYGMSSA-N 1 2 361.492 3.208 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175833020 496563627 /nfs/dbraw/zinc/56/36/27/496563627.db2.gz HQDKEUSVUNLMGF-ZIAGYGMSSA-N 1 2 361.492 3.208 20 30 FGEDLO N#CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000184888821 496572162 /nfs/dbraw/zinc/57/21/62/496572162.db2.gz KNRFSJIOYXDYGR-HXUWFJFHSA-N 1 2 353.853 3.487 20 30 FGEDLO COCCOc1ccc(C#N)cc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000181909988 496595872 /nfs/dbraw/zinc/59/58/72/496595872.db2.gz DVYBVCNZEROCKO-UHFFFAOYSA-N 1 2 356.813 3.497 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000158400531 496693140 /nfs/dbraw/zinc/69/31/40/496693140.db2.gz SSKYGOXWAYFPKO-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000158400531 496693146 /nfs/dbraw/zinc/69/31/46/496693146.db2.gz SSKYGOXWAYFPKO-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000185231469 496711916 /nfs/dbraw/zinc/71/19/16/496711916.db2.gz ZMGFMISHDZYPAE-CQSZACIVSA-N 1 2 359.474 3.111 20 30 FGEDLO Cn1c2ccccc2[nH+]c1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000179287504 496726608 /nfs/dbraw/zinc/72/66/08/496726608.db2.gz OGCJWXDZFLOHNN-UHFFFAOYSA-N 1 2 368.444 3.320 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191491993 496781691 /nfs/dbraw/zinc/78/16/91/496781691.db2.gz WMGFXEFRBAHGDF-GOSISDBHSA-N 1 2 370.518 3.251 20 30 FGEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191491993 496781695 /nfs/dbraw/zinc/78/16/95/496781695.db2.gz WMGFXEFRBAHGDF-GOSISDBHSA-N 1 2 370.518 3.251 20 30 FGEDLO N#CC1(NC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)CCCCC1 ZINC000195037956 496798857 /nfs/dbraw/zinc/79/88/57/496798857.db2.gz SRSSUIAPXXYZAG-KRWDZBQOSA-N 1 2 354.479 3.165 20 30 FGEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264076645 496806703 /nfs/dbraw/zinc/80/67/03/496806703.db2.gz CHWYEICGCCHFBZ-INIZCTEOSA-N 1 2 374.448 3.138 20 30 FGEDLO N#CC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191633682 496840375 /nfs/dbraw/zinc/84/03/75/496840375.db2.gz UQABZMOGBJHLOE-UHFFFAOYSA-N 1 2 364.287 3.021 20 30 FGEDLO C[C@H](NC(=O)c1ccccc1-c1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000264275762 496859609 /nfs/dbraw/zinc/85/96/09/496859609.db2.gz OHJDQDYGXPBGIH-IRXDYDNUSA-N 1 2 363.461 3.064 20 30 FGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 ZINC000264513891 496917381 /nfs/dbraw/zinc/91/73/81/496917381.db2.gz YISBBXWEAGSALH-UHFFFAOYSA-N 1 2 351.353 3.499 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000269696611 496990571 /nfs/dbraw/zinc/99/05/71/496990571.db2.gz XKMKWTCWLOENHF-YWZLYKJASA-N 1 2 370.884 3.422 20 30 FGEDLO CC(C)c1nc(N2CCN(c3ccc(C#N)cn3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000192284167 497062094 /nfs/dbraw/zinc/06/20/94/497062094.db2.gz RGVQNTVXIZWHQN-UHFFFAOYSA-N 1 2 364.497 3.491 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248863268 497119851 /nfs/dbraw/zinc/11/98/51/497119851.db2.gz XVYNYSJXUFQTKO-LVQVYYBASA-N 1 2 361.511 3.111 20 30 FGEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248863268 497119857 /nfs/dbraw/zinc/11/98/57/497119857.db2.gz XVYNYSJXUFQTKO-LVQVYYBASA-N 1 2 361.511 3.111 20 30 FGEDLO COc1cc(C#N)ccc1OCC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000265806173 497185882 /nfs/dbraw/zinc/18/58/82/497185882.db2.gz DFDKKQVOFTYIFH-UHFFFAOYSA-N 1 2 356.426 3.086 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189677052 497207936 /nfs/dbraw/zinc/20/79/36/497207936.db2.gz PPHLRGUVVHEUNF-IRXDYDNUSA-N 1 2 369.868 3.068 20 30 FGEDLO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189677052 497207942 /nfs/dbraw/zinc/20/79/42/497207942.db2.gz PPHLRGUVVHEUNF-IRXDYDNUSA-N 1 2 369.868 3.068 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)c1 ZINC000271032900 497249472 /nfs/dbraw/zinc/24/94/72/497249472.db2.gz IADLSTZHJDKIBL-UHFFFAOYSA-N 1 2 364.421 3.324 20 30 FGEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000250229468 497263796 /nfs/dbraw/zinc/26/37/96/497263796.db2.gz IRJURKBGDUUFNT-QWHCGFSZSA-N 1 2 357.376 3.244 20 30 FGEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000250229468 497263800 /nfs/dbraw/zinc/26/38/00/497263800.db2.gz IRJURKBGDUUFNT-QWHCGFSZSA-N 1 2 357.376 3.244 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271206523 497290296 /nfs/dbraw/zinc/29/02/96/497290296.db2.gz RVYRBYGLDBNVMR-UHFFFAOYSA-N 1 2 371.506 3.072 20 30 FGEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271206523 497290299 /nfs/dbraw/zinc/29/02/99/497290299.db2.gz RVYRBYGLDBNVMR-UHFFFAOYSA-N 1 2 371.506 3.072 20 30 FGEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000279010637 497302523 /nfs/dbraw/zinc/30/25/23/497302523.db2.gz UVTUKYWUZSHMRZ-JTQLQIEISA-N 1 2 368.384 3.001 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275463498 497334572 /nfs/dbraw/zinc/33/45/72/497334572.db2.gz NPYSMHCFKIZROD-WMLDXEAASA-N 1 2 361.511 3.112 20 30 FGEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275463498 497334576 /nfs/dbraw/zinc/33/45/76/497334576.db2.gz NPYSMHCFKIZROD-WMLDXEAASA-N 1 2 361.511 3.112 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000193508596 497398758 /nfs/dbraw/zinc/39/87/58/497398758.db2.gz NKOZKKLOFLGTDX-FQEVSTJZSA-N 1 2 367.424 3.317 20 30 FGEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000193508596 497398761 /nfs/dbraw/zinc/39/87/61/497398761.db2.gz NKOZKKLOFLGTDX-FQEVSTJZSA-N 1 2 367.424 3.317 20 30 FGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000279438972 497438956 /nfs/dbraw/zinc/43/89/56/497438956.db2.gz REYOVVLYCMMLNR-UHFFFAOYSA-N 1 2 372.476 3.316 20 30 FGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000279438972 497438961 /nfs/dbraw/zinc/43/89/61/497438961.db2.gz REYOVVLYCMMLNR-UHFFFAOYSA-N 1 2 372.476 3.316 20 30 FGEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193726881 497460546 /nfs/dbraw/zinc/46/05/46/497460546.db2.gz KWIPQVPPCXGASN-UHFFFAOYSA-N 1 2 370.365 3.023 20 30 FGEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193726881 497460549 /nfs/dbraw/zinc/46/05/49/497460549.db2.gz KWIPQVPPCXGASN-UHFFFAOYSA-N 1 2 370.365 3.023 20 30 FGEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607673 497472496 /nfs/dbraw/zinc/47/24/96/497472496.db2.gz SQKYBJNVCQWLOA-DOTOQJQBSA-N 1 2 369.893 3.376 20 30 FGEDLO CC(C)[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607673 497472501 /nfs/dbraw/zinc/47/25/01/497472501.db2.gz SQKYBJNVCQWLOA-DOTOQJQBSA-N 1 2 369.893 3.376 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617877 497475356 /nfs/dbraw/zinc/47/53/56/497475356.db2.gz VWUGHRBOZPKFFB-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245617877 497475358 /nfs/dbraw/zinc/47/53/58/497475358.db2.gz VWUGHRBOZPKFFB-HZPDHXFCSA-N 1 2 360.882 3.110 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245657033 497490942 /nfs/dbraw/zinc/49/09/42/497490942.db2.gz GGUWGBYFHUYQSD-PZJWPPBQSA-N 1 2 369.415 3.331 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245657033 497490947 /nfs/dbraw/zinc/49/09/47/497490947.db2.gz GGUWGBYFHUYQSD-PZJWPPBQSA-N 1 2 369.415 3.331 20 30 FGEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000276117208 497501165 /nfs/dbraw/zinc/50/11/65/497501165.db2.gz AUAQHTLFHYKRLN-OAQYLSRUSA-N 1 2 355.482 3.361 20 30 FGEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCC1 ZINC000190716506 497582443 /nfs/dbraw/zinc/58/24/43/497582443.db2.gz CBDLPQCQJBNFPH-UHFFFAOYSA-N 1 2 355.482 3.036 20 30 FGEDLO N#Cc1cc(F)c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000267968034 497647757 /nfs/dbraw/zinc/64/77/57/497647757.db2.gz SSBNVWNLVFOHPM-UHFFFAOYSA-N 1 2 356.376 3.152 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1OC ZINC000272562023 497663743 /nfs/dbraw/zinc/66/37/43/497663743.db2.gz CAFVBNWXHUNVFX-QGZVFWFLSA-N 1 2 359.426 3.092 20 30 FGEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1OC ZINC000272562023 497663750 /nfs/dbraw/zinc/66/37/50/497663750.db2.gz CAFVBNWXHUNVFX-QGZVFWFLSA-N 1 2 359.426 3.092 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)sc1C ZINC000280217080 497684506 /nfs/dbraw/zinc/68/45/06/497684506.db2.gz AKZMFYFHBDHXLP-MRXNPFEDSA-N 1 2 371.462 3.478 20 30 FGEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)sc1C ZINC000280217080 497684512 /nfs/dbraw/zinc/68/45/12/497684512.db2.gz AKZMFYFHBDHXLP-MRXNPFEDSA-N 1 2 371.462 3.478 20 30 FGEDLO CCOc1ccc(C#N)cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000277160921 497760851 /nfs/dbraw/zinc/76/08/51/497760851.db2.gz LQVLHAZMUQUGAQ-UHFFFAOYSA-N 1 2 365.433 3.041 20 30 FGEDLO NC(=[NH+]OCc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCCO1 ZINC000284589312 497838103 /nfs/dbraw/zinc/83/81/03/497838103.db2.gz XUYYCIYIPDYIMH-GFCCVEGCSA-N 1 2 366.215 3.072 20 30 FGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280650330 497842195 /nfs/dbraw/zinc/84/21/95/497842195.db2.gz ZBGSNYUDQYPNFX-HNNXBMFYSA-N 1 2 366.339 3.289 20 30 FGEDLO O=C(NC[C@]1(O)CCSC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329631590 497850902 /nfs/dbraw/zinc/85/09/02/497850902.db2.gz RNGPZNOTVDFPKU-LJQANCHMSA-N 1 2 372.494 3.080 20 30 FGEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2(C)CCCCC2)CC1 ZINC000329635990 497852348 /nfs/dbraw/zinc/85/23/48/497852348.db2.gz XYXSQRJVYLCPDN-UHFFFAOYSA-N 1 2 361.534 3.039 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329676431 497866059 /nfs/dbraw/zinc/86/60/59/497866059.db2.gz WDVTYDPGLLOJOS-QOLSXCEWSA-N 1 2 373.501 3.004 20 30 FGEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329676431 497866063 /nfs/dbraw/zinc/86/60/63/497866063.db2.gz WDVTYDPGLLOJOS-QOLSXCEWSA-N 1 2 373.501 3.004 20 30 FGEDLO O=C(C[N@@H+]1CCCc2occc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329684411 497869445 /nfs/dbraw/zinc/86/94/45/497869445.db2.gz ZMFMCOBMUKDMTA-UHFFFAOYSA-N 1 2 371.393 3.001 20 30 FGEDLO O=C(C[N@H+]1CCCc2occc2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000329684411 497869452 /nfs/dbraw/zinc/86/94/52/497869452.db2.gz ZMFMCOBMUKDMTA-UHFFFAOYSA-N 1 2 371.393 3.001 20 30 FGEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329743284 497885724 /nfs/dbraw/zinc/88/57/24/497885724.db2.gz XCMFKJWRPAOYKJ-UWJYYQICSA-N 1 2 351.450 3.459 20 30 FGEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000329817560 497911545 /nfs/dbraw/zinc/91/15/45/497911545.db2.gz WTDGUYRMRYRFJK-WOCWXWTJSA-N 1 2 368.481 3.398 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901685 497944761 /nfs/dbraw/zinc/94/47/61/497944761.db2.gz OURNRTDIZAGAJH-ZRGWGRIASA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329901685 497944768 /nfs/dbraw/zinc/94/47/68/497944768.db2.gz OURNRTDIZAGAJH-ZRGWGRIASA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901684 497945152 /nfs/dbraw/zinc/94/51/52/497945152.db2.gz OURNRTDIZAGAJH-VCBZYWHSSA-N 1 2 371.481 3.289 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901684 497945160 /nfs/dbraw/zinc/94/51/60/497945160.db2.gz OURNRTDIZAGAJH-VCBZYWHSSA-N 1 2 371.481 3.289 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000280958240 497965353 /nfs/dbraw/zinc/96/53/53/497965353.db2.gz JLDBXBOEQXKPSR-UHFFFAOYSA-N 1 2 371.506 3.183 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000280958240 497965359 /nfs/dbraw/zinc/96/53/59/497965359.db2.gz JLDBXBOEQXKPSR-UHFFFAOYSA-N 1 2 371.506 3.183 20 30 FGEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)O1 ZINC000329950282 497966469 /nfs/dbraw/zinc/96/64/69/497966469.db2.gz CEODNMVRFJYWTQ-LJIGWXMPSA-N 1 2 353.438 3.118 20 30 FGEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)O1 ZINC000329950282 497966478 /nfs/dbraw/zinc/96/64/78/497966478.db2.gz CEODNMVRFJYWTQ-LJIGWXMPSA-N 1 2 353.438 3.118 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)CCO1 ZINC000329961717 497971219 /nfs/dbraw/zinc/97/12/19/497971219.db2.gz SHKPBIIMYWICCN-LTIDMASMSA-N 1 2 367.465 3.366 20 30 FGEDLO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)CCO1 ZINC000329961717 497971228 /nfs/dbraw/zinc/97/12/28/497971228.db2.gz SHKPBIIMYWICCN-LTIDMASMSA-N 1 2 367.465 3.366 20 30 FGEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000281074601 498011235 /nfs/dbraw/zinc/01/12/35/498011235.db2.gz OMXIZIMXOQNHMO-VQIMIIECSA-N 1 2 370.453 3.065 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@@]2(CCCOC2)O1 ZINC000330098708 498020646 /nfs/dbraw/zinc/02/06/46/498020646.db2.gz CFPUOCDFBMCLNH-YLJYHZDGSA-N 1 2 358.482 3.292 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@@]2(CCCOC2)O1 ZINC000330098708 498020652 /nfs/dbraw/zinc/02/06/52/498020652.db2.gz CFPUOCDFBMCLNH-YLJYHZDGSA-N 1 2 358.482 3.292 20 30 FGEDLO O=C(NC[C@@H]1SCCc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000330169850 498047696 /nfs/dbraw/zinc/04/76/96/498047696.db2.gz BPJFFRKMQJBUED-SFHVURJKSA-N 1 2 356.495 3.465 20 30 FGEDLO COc1cccc([C@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000330171804 498048486 /nfs/dbraw/zinc/04/84/86/498048486.db2.gz FTPXQAPFIUBABU-HOTGVXAUSA-N 1 2 356.470 3.358 20 30 FGEDLO Cc1ccc([C@H](CNC(=O)[C@]2(C)CCCNC2=O)[NH+]2CCOCC2)s1 ZINC000330322226 498103844 /nfs/dbraw/zinc/10/38/44/498103844.db2.gz SKLNGXYFSLVLIX-KBXCAEBGSA-N 1 2 365.499 3.143 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1 ZINC000581399160 505979056 /nfs/dbraw/zinc/97/90/56/505979056.db2.gz ZVFUHPIJHYLWBA-SFHVURJKSA-N 1 2 362.458 3.354 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)CCO1 ZINC000330323638 498105307 /nfs/dbraw/zinc/10/53/07/498105307.db2.gz HTYDVTMXLRPXCG-MJGOQNOKSA-N 1 2 369.465 3.345 20 30 FGEDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330330976 498108209 /nfs/dbraw/zinc/10/82/09/498108209.db2.gz NSFXHBXSMJWUFL-SVYNMNNPSA-N 1 2 354.454 3.077 20 30 FGEDLO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cn1 ZINC000330333611 498108257 /nfs/dbraw/zinc/10/82/57/498108257.db2.gz PXKUCCDPWMMSGS-BHYGNILZSA-N 1 2 357.458 3.020 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c(F)c2)CCO1 ZINC000330335742 498109095 /nfs/dbraw/zinc/10/90/95/498109095.db2.gz RTRRZCQSLHTGHB-BEFAXECRSA-N 1 2 372.444 3.384 20 30 FGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000330334838 498109418 /nfs/dbraw/zinc/10/94/18/498109418.db2.gz RAEZWAWRKCXTNO-YJBOKZPZSA-N 1 2 371.437 3.001 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289453722 498153779 /nfs/dbraw/zinc/15/37/79/498153779.db2.gz FWQCXJFQGVOXKI-AEFFLSMTSA-N 1 2 359.857 3.184 20 30 FGEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289453722 498153786 /nfs/dbraw/zinc/15/37/86/498153786.db2.gz FWQCXJFQGVOXKI-AEFFLSMTSA-N 1 2 359.857 3.184 20 30 FGEDLO CCc1nnc(NCCc2[nH+]c3ccc(F)cc3n2C)c(C#N)c1CC ZINC000301626173 498193592 /nfs/dbraw/zinc/19/35/92/498193592.db2.gz GSQQTWQZWXCKLD-UHFFFAOYSA-N 1 2 352.417 3.153 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1F ZINC000330822961 498200817 /nfs/dbraw/zinc/20/08/17/498200817.db2.gz NTKKKGADKQRFCV-UHFFFAOYSA-N 1 2 371.428 3.189 20 30 FGEDLO CC(C)Oc1c(F)cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1F ZINC000330822961 498200822 /nfs/dbraw/zinc/20/08/22/498200822.db2.gz NTKKKGADKQRFCV-UHFFFAOYSA-N 1 2 371.428 3.189 20 30 FGEDLO N#CC1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000281614849 498213582 /nfs/dbraw/zinc/21/35/82/498213582.db2.gz HEAJSOPFRTZTJQ-UHFFFAOYSA-N 1 2 355.486 3.201 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000330946977 498223547 /nfs/dbraw/zinc/22/35/47/498223547.db2.gz LNJITDGIFKYCTB-ABAIWWIYSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000330946977 498223552 /nfs/dbraw/zinc/22/35/52/498223552.db2.gz LNJITDGIFKYCTB-ABAIWWIYSA-N 1 2 372.332 3.385 20 30 FGEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331143769 498261347 /nfs/dbraw/zinc/26/13/47/498261347.db2.gz GLNOOWHVXBAJHN-OAHLLOKOSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000331143769 498261355 /nfs/dbraw/zinc/26/13/55/498261355.db2.gz GLNOOWHVXBAJHN-OAHLLOKOSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)Cn1cc[nH+]c1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301793182 498266514 /nfs/dbraw/zinc/26/65/14/498266514.db2.gz XKVKLBDTRDVKAF-UHFFFAOYSA-N 1 2 350.382 3.479 20 30 FGEDLO CC(C)[C@H](CNc1ccc(C#N)cc1Br)[NH+]1CCOCC1 ZINC000301840998 498289542 /nfs/dbraw/zinc/28/95/42/498289542.db2.gz PFNIDRPVNCHNFN-INIZCTEOSA-N 1 2 352.276 3.089 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000361341299 498376908 /nfs/dbraw/zinc/37/69/08/498376908.db2.gz BLZVTDZHKNUMIA-FQEVSTJZSA-N 1 2 362.429 3.294 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282239128 498435358 /nfs/dbraw/zinc/43/53/58/498435358.db2.gz NXUZVEGSDKLOMA-JMLCCBQJSA-N 1 2 369.444 3.278 20 30 FGEDLO N#Cc1c(N2CC[NH+](Cc3ccccc3Cl)CC2)nc2ccccn12 ZINC000302206833 498443516 /nfs/dbraw/zinc/44/35/16/498443516.db2.gz XHSCVROHIFNOSG-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)sc1C ZINC000282510858 498539513 /nfs/dbraw/zinc/53/95/13/498539513.db2.gz YZNIAXPDIAANIE-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)sc1C ZINC000282510858 498539516 /nfs/dbraw/zinc/53/95/16/498539516.db2.gz YZNIAXPDIAANIE-HNNXBMFYSA-N 1 2 371.462 3.456 20 30 FGEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365589641 498546429 /nfs/dbraw/zinc/54/64/29/498546429.db2.gz ULFOLWGXFKFQEP-INIZCTEOSA-N 1 2 361.449 3.308 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000332131903 498572704 /nfs/dbraw/zinc/57/27/04/498572704.db2.gz IHSBDNIIASZTBI-WOJBJXKFSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000332131903 498572707 /nfs/dbraw/zinc/57/27/07/498572707.db2.gz IHSBDNIIASZTBI-WOJBJXKFSA-N 1 2 355.482 3.194 20 30 FGEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000287064398 498612757 /nfs/dbraw/zinc/61/27/57/498612757.db2.gz XMYXWEAXMRRJKQ-LBPRGKRZSA-N 1 2 372.885 3.199 20 30 FGEDLO C=CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000294264124 498637601 /nfs/dbraw/zinc/63/76/01/498637601.db2.gz CYHVLVYSLQSQDP-UHFFFAOYSA-N 1 2 351.450 3.106 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000332296959 498638364 /nfs/dbraw/zinc/63/83/64/498638364.db2.gz MIJDWNNLMSRCIF-UHFFFAOYSA-N 1 2 351.454 3.053 20 30 FGEDLO C=CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000578976175 506066416 /nfs/dbraw/zinc/06/64/16/506066416.db2.gz VFOWUIGQLVOTLG-QBOMHBFWSA-N 1 2 371.449 3.366 20 30 FGEDLO C=CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000578976175 506066419 /nfs/dbraw/zinc/06/64/19/506066419.db2.gz VFOWUIGQLVOTLG-QBOMHBFWSA-N 1 2 371.449 3.366 20 30 FGEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000294350335 498665730 /nfs/dbraw/zinc/66/57/30/498665730.db2.gz GNYPNKGIEDDBJG-UHFFFAOYSA-N 1 2 364.445 3.173 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)sc1SCC#N ZINC000365865326 498677536 /nfs/dbraw/zinc/67/75/36/498677536.db2.gz HWBMEKXCHXYKCZ-AWEZNQCLSA-N 1 2 373.507 3.065 20 30 FGEDLO Cc1nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)sc1SCC#N ZINC000365865326 498677543 /nfs/dbraw/zinc/67/75/43/498677543.db2.gz HWBMEKXCHXYKCZ-AWEZNQCLSA-N 1 2 373.507 3.065 20 30 FGEDLO CS[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000332534799 498716137 /nfs/dbraw/zinc/71/61/37/498716137.db2.gz HZMYEZLQEFQBLI-RBUKOAKNSA-N 1 2 372.538 3.060 20 30 FGEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnc1C(F)(F)F ZINC000576125019 506083117 /nfs/dbraw/zinc/08/31/17/506083117.db2.gz WDXWKNQOQADCBM-UHFFFAOYSA-N 1 2 357.295 3.410 20 30 FGEDLO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581887070 506083160 /nfs/dbraw/zinc/08/31/60/506083160.db2.gz CLPKWXLLAMRUPY-OAHLLOKOSA-N 1 2 368.915 3.407 20 30 FGEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3C#N)CCCCC2)no1 ZINC000298411815 498762923 /nfs/dbraw/zinc/76/29/23/498762923.db2.gz HVAPILKDRRFXBN-UHFFFAOYSA-N 1 2 353.426 3.028 20 30 FGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2noc(C)n2)CC1 ZINC000363377337 498788591 /nfs/dbraw/zinc/78/85/91/498788591.db2.gz ZTMNUVVLFVHQCY-UHFFFAOYSA-N 1 2 372.494 3.474 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000298678926 498847074 /nfs/dbraw/zinc/84/70/74/498847074.db2.gz XNBOJRVYSJYQBK-KXBFYZLASA-N 1 2 356.495 3.488 20 30 FGEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000298678926 498847077 /nfs/dbraw/zinc/84/70/77/498847077.db2.gz XNBOJRVYSJYQBK-KXBFYZLASA-N 1 2 356.495 3.488 20 30 FGEDLO O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000328786743 498938317 /nfs/dbraw/zinc/93/83/17/498938317.db2.gz OTEAORYFJYOMPA-GJZGRUSLSA-N 1 2 365.499 3.225 20 30 FGEDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803582 498943031 /nfs/dbraw/zinc/94/30/31/498943031.db2.gz KBIDIOIUCHDZCQ-DZGCQCFKSA-N 1 2 361.442 3.167 20 30 FGEDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)Nc1nc2c(s1)CCC2 ZINC000328803582 498943032 /nfs/dbraw/zinc/94/30/32/498943032.db2.gz KBIDIOIUCHDZCQ-DZGCQCFKSA-N 1 2 361.442 3.167 20 30 FGEDLO Cc1ccc2[nH+]c(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)cn2c1 ZINC000576264274 506116268 /nfs/dbraw/zinc/11/62/68/506116268.db2.gz SZVUJAOQQIKLCH-UHFFFAOYSA-N 1 2 358.361 3.005 20 30 FGEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H]4CCC[C@H]43)n2)C1 ZINC000328819898 498949149 /nfs/dbraw/zinc/94/91/49/498949149.db2.gz HLPOXIMYHLUILG-FVQBIDKESA-N 1 2 364.515 3.174 20 30 FGEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H]4CCC[C@H]43)n2)C1 ZINC000328819898 498949154 /nfs/dbraw/zinc/94/91/54/498949154.db2.gz HLPOXIMYHLUILG-FVQBIDKESA-N 1 2 364.515 3.174 20 30 FGEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328826029 498950666 /nfs/dbraw/zinc/95/06/66/498950666.db2.gz HVZQANUSJRMVAG-UYAOXDASSA-N 1 2 364.449 3.304 20 30 FGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CC(=O)N(c3ccccc3F)C1)CCC2 ZINC000328825172 498950900 /nfs/dbraw/zinc/95/09/00/498950900.db2.gz PYMLGMKDGLNJJR-GJZGRUSLSA-N 1 2 370.428 3.218 20 30 FGEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000299054279 498952538 /nfs/dbraw/zinc/95/25/38/498952538.db2.gz RBNOLMQGGDSUAE-IBGZPJMESA-N 1 2 372.465 3.134 20 30 FGEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000299054279 498952542 /nfs/dbraw/zinc/95/25/42/498952542.db2.gz RBNOLMQGGDSUAE-IBGZPJMESA-N 1 2 372.465 3.134 20 30 FGEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000288152556 498955831 /nfs/dbraw/zinc/95/58/31/498955831.db2.gz MIVMPVMZXXYGLL-SXLOBPIMSA-N 1 2 350.466 3.110 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328988702 499007517 /nfs/dbraw/zinc/00/75/17/499007517.db2.gz UUPCZOKULXFYRF-XKQJLSEDSA-N 1 2 358.486 3.090 20 30 FGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328988702 499007526 /nfs/dbraw/zinc/00/75/26/499007526.db2.gz UUPCZOKULXFYRF-XKQJLSEDSA-N 1 2 358.486 3.090 20 30 FGEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCC2(C)C)CCC(=O)N1C1CC1 ZINC000328986594 499007797 /nfs/dbraw/zinc/00/77/97/499007797.db2.gz BWXREVUTLIGJAO-IIDMSEBBSA-N 1 2 358.486 3.397 20 30 FGEDLO C[C@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1ccnc1 ZINC000329181901 499065734 /nfs/dbraw/zinc/06/57/34/499065734.db2.gz NOLXINWJUVJYIN-DZGCQCFKSA-N 1 2 359.499 3.390 20 30 FGEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1ccnc1 ZINC000329181901 499065739 /nfs/dbraw/zinc/06/57/39/499065739.db2.gz NOLXINWJUVJYIN-DZGCQCFKSA-N 1 2 359.499 3.390 20 30 FGEDLO Cn1nccc1[C@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329243244 499082197 /nfs/dbraw/zinc/08/21/97/499082197.db2.gz STAAOMZZJCBLGV-MRXNPFEDSA-N 1 2 372.860 3.362 20 30 FGEDLO C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329251873 499083800 /nfs/dbraw/zinc/08/38/00/499083800.db2.gz BRTGPEFGBWVBNG-QWHCGFSZSA-N 1 2 374.510 3.332 20 30 FGEDLO CC(C)[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000329260230 499085918 /nfs/dbraw/zinc/08/59/18/499085918.db2.gz YXAWLJKLMAOOHY-GOEBONIOSA-N 1 2 366.531 3.277 20 30 FGEDLO CC(C)[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCO1 ZINC000329260230 499085923 /nfs/dbraw/zinc/08/59/23/499085923.db2.gz YXAWLJKLMAOOHY-GOEBONIOSA-N 1 2 366.531 3.277 20 30 FGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(NC(=O)C3CC3)CC2)c1 ZINC000329342311 499103687 /nfs/dbraw/zinc/10/36/87/499103687.db2.gz PMXONADUGUNZNU-UHFFFAOYSA-N 1 2 352.438 3.152 20 30 FGEDLO COC1CCC(N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329347147 499105100 /nfs/dbraw/zinc/10/51/00/499105100.db2.gz VKSNFOWTPPILOY-FHERZECASA-N 1 2 362.518 3.299 20 30 FGEDLO CC[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C)O1 ZINC000329389474 499113879 /nfs/dbraw/zinc/11/38/79/499113879.db2.gz ULACVHSGDLIANI-DZGCQCFKSA-N 1 2 352.504 3.174 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)C1CCOCC1 ZINC000329417853 499118262 /nfs/dbraw/zinc/11/82/62/499118262.db2.gz DNBBXACUMGUQIT-QIUZIFDCSA-N 1 2 372.513 3.312 20 30 FGEDLO COCC[NH+]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329456636 499124368 /nfs/dbraw/zinc/12/43/68/499124368.db2.gz NKVROZAKIDAHDR-UHFFFAOYSA-N 1 2 352.504 3.000 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC(=O)Nc1sccc1C#N)CC3 ZINC000364173505 499127675 /nfs/dbraw/zinc/12/76/75/499127675.db2.gz VEWQGSHXBCKREK-UHFFFAOYSA-N 1 2 350.447 3.406 20 30 FGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC(=O)Nc1sccc1C#N)CC3 ZINC000364173505 499127676 /nfs/dbraw/zinc/12/76/76/499127676.db2.gz VEWQGSHXBCKREK-UHFFFAOYSA-N 1 2 350.447 3.406 20 30 FGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329498363 499128076 /nfs/dbraw/zinc/12/80/76/499128076.db2.gz JSXXLZCUCWQBAE-KRWDZBQOSA-N 1 2 360.433 3.427 20 30 FGEDLO CCn1c2cc(F)ccc2nc1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329498363 499128077 /nfs/dbraw/zinc/12/80/77/499128077.db2.gz JSXXLZCUCWQBAE-KRWDZBQOSA-N 1 2 360.433 3.427 20 30 FGEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057398 499141316 /nfs/dbraw/zinc/14/13/16/499141316.db2.gz JEYWOPJHWZEKJT-SFHVURJKSA-N 1 2 374.488 3.307 20 30 FGEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061253 499141735 /nfs/dbraw/zinc/14/17/35/499141735.db2.gz VLGCTTHJHZOALO-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1Cl ZINC000367061253 499141736 /nfs/dbraw/zinc/14/17/36/499141736.db2.gz VLGCTTHJHZOALO-VBKZILBWSA-N 1 2 367.836 3.194 20 30 FGEDLO Cc1noc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C2CCOCC2)n1 ZINC000370295988 499206837 /nfs/dbraw/zinc/20/68/37/499206837.db2.gz GCSYLYLVHVXYAJ-IBGZPJMESA-N 1 2 370.453 3.318 20 30 FGEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367761053 499231526 /nfs/dbraw/zinc/23/15/26/499231526.db2.gz OSHOZKGBBAUKGB-MOPGFXCFSA-N 1 2 350.466 3.003 20 30 FGEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC000367816693 499235484 /nfs/dbraw/zinc/23/54/84/499235484.db2.gz UQLLZOXBKKQJGV-GUYCJALGSA-N 1 2 374.847 3.476 20 30 FGEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367871622 499240400 /nfs/dbraw/zinc/24/04/00/499240400.db2.gz SPPVWUKDUKUVLC-CVEARBPZSA-N 1 2 350.422 3.228 20 30 FGEDLO N#Cc1cccc(OC2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)c1 ZINC000368115578 499266112 /nfs/dbraw/zinc/26/61/12/499266112.db2.gz OPQAOUGEWMTXGO-UHFFFAOYSA-N 1 2 361.405 3.281 20 30 FGEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000368513155 499303550 /nfs/dbraw/zinc/30/35/50/499303550.db2.gz BADWKBNDOHHRAU-INIZCTEOSA-N 1 2 366.440 3.414 20 30 FGEDLO Cc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc(-c2ccncc2)[nH+]1 ZINC000371277354 499305142 /nfs/dbraw/zinc/30/51/42/499305142.db2.gz JPGWLHGLWRJZGD-LJQANCHMSA-N 1 2 357.417 3.297 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000371333436 499311683 /nfs/dbraw/zinc/31/16/83/499311683.db2.gz ANFVVGJPQHNPNM-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000371333436 499311685 /nfs/dbraw/zinc/31/16/85/499311685.db2.gz ANFVVGJPQHNPNM-UHFFFAOYSA-N 1 2 352.459 3.121 20 30 FGEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464009 499330402 /nfs/dbraw/zinc/33/04/02/499330402.db2.gz NHJKHWGKAYKWQM-OAQYLSRUSA-N 1 2 368.433 3.158 20 30 FGEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464009 499330404 /nfs/dbraw/zinc/33/04/04/499330404.db2.gz NHJKHWGKAYKWQM-OAQYLSRUSA-N 1 2 368.433 3.158 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000368875180 499342267 /nfs/dbraw/zinc/34/22/67/499342267.db2.gz JUGUGUFTBSRNQV-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000368875180 499342269 /nfs/dbraw/zinc/34/22/69/499342269.db2.gz JUGUGUFTBSRNQV-UHFFFAOYSA-N 1 2 374.847 3.037 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000369123738 499367804 /nfs/dbraw/zinc/36/78/04/499367804.db2.gz DLVJQRFBPQQOOW-YADHBBJMSA-N 1 2 362.477 3.220 20 30 FGEDLO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000369123738 499367805 /nfs/dbraw/zinc/36/78/05/499367805.db2.gz DLVJQRFBPQQOOW-YADHBBJMSA-N 1 2 362.477 3.220 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN[C@@H](c3noc(C4CC4)n3)c3ccccc3)n2c1 ZINC000369477578 499407121 /nfs/dbraw/zinc/40/71/21/499407121.db2.gz BLHQPILRZBVVHU-LJQANCHMSA-N 1 2 370.416 3.346 20 30 FGEDLO N#CCCCn1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccc21 ZINC000373071775 499449854 /nfs/dbraw/zinc/44/98/54/499449854.db2.gz UJLLDKYFKCGCBY-KRWDZBQOSA-N 1 2 373.460 3.349 20 30 FGEDLO C=C(C)[C@@H](CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1)OCC ZINC000378286746 499498314 /nfs/dbraw/zinc/49/83/14/499498314.db2.gz WCLQRRTWTHPNRN-HXUWFJFHSA-N 1 2 360.498 3.494 20 30 FGEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595307 499536238 /nfs/dbraw/zinc/53/62/38/499536238.db2.gz GVSVSTARJDWJFW-MSOLQXFVSA-N 1 2 350.466 3.309 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)C1=O ZINC000375595307 499536239 /nfs/dbraw/zinc/53/62/39/499536239.db2.gz GVSVSTARJDWJFW-MSOLQXFVSA-N 1 2 350.466 3.309 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)c(C#N)c1C ZINC000378599488 499536402 /nfs/dbraw/zinc/53/64/02/499536402.db2.gz VHKFUCKSSOYOBQ-PBHICJAKSA-N 1 2 359.470 3.234 20 30 FGEDLO C[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1c1ccccc1Cl ZINC000377122307 499663985 /nfs/dbraw/zinc/66/39/85/499663985.db2.gz DUNHPTOQYVKQGP-GOSISDBHSA-N 1 2 369.852 3.371 20 30 FGEDLO C[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1c1ccccc1Cl ZINC000377122307 499663986 /nfs/dbraw/zinc/66/39/86/499663986.db2.gz DUNHPTOQYVKQGP-GOSISDBHSA-N 1 2 369.852 3.371 20 30 FGEDLO N#Cc1cccc(C#N)c1N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000377159196 499666821 /nfs/dbraw/zinc/66/68/21/499666821.db2.gz PMOQCKWLGOIAFZ-SFHVURJKSA-N 1 2 359.433 3.083 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCc1cccs1 ZINC000411192380 499708999 /nfs/dbraw/zinc/70/89/99/499708999.db2.gz LULQFRFWMVPXPQ-CQSZACIVSA-N 1 2 359.451 3.349 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCc1cccs1 ZINC000411192380 499709000 /nfs/dbraw/zinc/70/90/00/499709000.db2.gz LULQFRFWMVPXPQ-CQSZACIVSA-N 1 2 359.451 3.349 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377740827 499727115 /nfs/dbraw/zinc/72/71/15/499727115.db2.gz DNALESNESULDCS-STQMWFEESA-N 1 2 355.467 3.340 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377740827 499727116 /nfs/dbraw/zinc/72/71/16/499727116.db2.gz DNALESNESULDCS-STQMWFEESA-N 1 2 355.467 3.340 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377740823 499727255 /nfs/dbraw/zinc/72/72/55/499727255.db2.gz DNALESNESULDCS-QWHCGFSZSA-N 1 2 355.467 3.340 20 30 FGEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377740823 499727256 /nfs/dbraw/zinc/72/72/56/499727256.db2.gz DNALESNESULDCS-QWHCGFSZSA-N 1 2 355.467 3.340 20 30 FGEDLO Cc1ccc2ncc(C[N@@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400739 499735051 /nfs/dbraw/zinc/73/50/51/499735051.db2.gz KWTDAPYMSAUKTI-JPYJTQIMSA-N 1 2 368.440 3.389 20 30 FGEDLO Cc1ccc2ncc(C[N@H+]3C[C@@H](C#N)[C@@]4(C3)c3ccccc3NC4=O)cc2c1 ZINC000411400739 499735053 /nfs/dbraw/zinc/73/50/53/499735053.db2.gz KWTDAPYMSAUKTI-JPYJTQIMSA-N 1 2 368.440 3.389 20 30 FGEDLO CC[C@@H](C)n1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130781 499762917 /nfs/dbraw/zinc/76/29/17/499762917.db2.gz JVGKURHPGMBVQW-NVXWUHKLSA-N 1 2 373.526 3.215 20 30 FGEDLO CC[C@@H](C)n1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414130781 499762918 /nfs/dbraw/zinc/76/29/18/499762918.db2.gz JVGKURHPGMBVQW-NVXWUHKLSA-N 1 2 373.526 3.215 20 30 FGEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1Oc1ccc(C#N)cc1F ZINC000414146379 499764369 /nfs/dbraw/zinc/76/43/69/499764369.db2.gz LBPWHBSYSXAXPL-MRXNPFEDSA-N 1 2 369.396 3.075 20 30 FGEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1Oc1ccc(C#N)cc1F ZINC000414146379 499764370 /nfs/dbraw/zinc/76/43/70/499764370.db2.gz LBPWHBSYSXAXPL-MRXNPFEDSA-N 1 2 369.396 3.075 20 30 FGEDLO CC(C)c1cc(Br)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414152998 499764596 /nfs/dbraw/zinc/76/45/96/499764596.db2.gz RNONITOBYBHLFD-CQSZACIVSA-N 1 2 355.276 3.158 20 30 FGEDLO CC(C)c1cc(Br)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414152998 499764597 /nfs/dbraw/zinc/76/45/97/499764597.db2.gz RNONITOBYBHLFD-CQSZACIVSA-N 1 2 355.276 3.158 20 30 FGEDLO Cc1ccc2c(Cl)cc(Cl)c(OC[C@H](O)C[N@H+](C)CCC#N)c2n1 ZINC000414170677 499765353 /nfs/dbraw/zinc/76/53/53/499765353.db2.gz WMQWDCOHLYIOMT-GFCCVEGCSA-N 1 2 368.264 3.435 20 30 FGEDLO Cc1ccc2c(Cl)cc(Cl)c(OC[C@H](O)C[N@@H+](C)CCC#N)c2n1 ZINC000414170677 499765354 /nfs/dbraw/zinc/76/53/54/499765354.db2.gz WMQWDCOHLYIOMT-GFCCVEGCSA-N 1 2 368.264 3.435 20 30 FGEDLO COC(=O)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@@H](OC)C1 ZINC000570401445 506159922 /nfs/dbraw/zinc/15/99/22/506159922.db2.gz SRRYMQWEZXAJFH-KVSKMBFKSA-N 1 2 358.482 3.324 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2csnn2)c1 ZINC000412040969 499816130 /nfs/dbraw/zinc/81/61/30/499816130.db2.gz MWWWQVIGBCUNPA-GJZGRUSLSA-N 1 2 357.483 3.141 20 30 FGEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(SCCC#N)c2c1C ZINC000413473190 499967352 /nfs/dbraw/zinc/96/73/52/499967352.db2.gz QQSSEHXWHYYLEH-UHFFFAOYSA-N 1 2 364.496 3.244 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000429139383 500011814 /nfs/dbraw/zinc/01/18/14/500011814.db2.gz XPHCOURTLXWTGB-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc2O1 ZINC000429139383 500011818 /nfs/dbraw/zinc/01/18/18/500011818.db2.gz XPHCOURTLXWTGB-CYBMUJFWSA-N 1 2 355.825 3.433 20 30 FGEDLO Cc1cc(N2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000425212723 500045140 /nfs/dbraw/zinc/04/51/40/500045140.db2.gz WRLAWDOAKZCHHS-UHFFFAOYSA-N 1 2 366.425 3.015 20 30 FGEDLO COc1cc2[nH]c(CCCNc3cc(C)[nH+]cc3C#N)cc2c(OC)c1 ZINC000425242147 500054112 /nfs/dbraw/zinc/05/41/12/500054112.db2.gz RGZRZCIYPPKVPH-UHFFFAOYSA-N 1 2 350.422 3.227 20 30 FGEDLO N#Cc1ccc(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000425326634 500075323 /nfs/dbraw/zinc/07/53/23/500075323.db2.gz YPUXOSWVCARBER-UHFFFAOYSA-N 1 2 358.445 3.458 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000425395215 500093169 /nfs/dbraw/zinc/09/31/69/500093169.db2.gz NBGOFLGABLXNSR-MRXNPFEDSA-N 1 2 363.465 3.456 20 30 FGEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425508232 500127915 /nfs/dbraw/zinc/12/79/15/500127915.db2.gz IPGWMHGTGKTCEE-ZWKOTPCHSA-N 1 2 374.362 3.364 20 30 FGEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1c1ccc(F)cc1F ZINC000425508232 500127916 /nfs/dbraw/zinc/12/79/16/500127916.db2.gz IPGWMHGTGKTCEE-ZWKOTPCHSA-N 1 2 374.362 3.364 20 30 FGEDLO C=CCn1c(SCc2cccc(C[NH+]3CCOCC3)c2)nnc1C1CC1 ZINC000421826008 500160606 /nfs/dbraw/zinc/16/06/06/500160606.db2.gz QMVHKXOBRVJBHZ-UHFFFAOYSA-N 1 2 370.522 3.466 20 30 FGEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000418935983 500331354 /nfs/dbraw/zinc/33/13/54/500331354.db2.gz BBBOMELJJXQUIO-OAQYLSRUSA-N 1 2 366.465 3.007 20 30 FGEDLO N#CCCC[C@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1ccccc1 ZINC000431144125 500340851 /nfs/dbraw/zinc/34/08/51/500340851.db2.gz QTEXWYGXWWHFLC-KRWDZBQOSA-N 1 2 370.420 3.453 20 30 FGEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427199744 500365642 /nfs/dbraw/zinc/36/56/42/500365642.db2.gz LRJPXYIXMHPUMT-UHFFFAOYSA-N 1 2 359.426 3.224 20 30 FGEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427199744 500365644 /nfs/dbraw/zinc/36/56/44/500365644.db2.gz LRJPXYIXMHPUMT-UHFFFAOYSA-N 1 2 359.426 3.224 20 30 FGEDLO C=CCC[C@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1=O ZINC000419931099 500407983 /nfs/dbraw/zinc/40/79/83/500407983.db2.gz ZQYYSXIYHVOAJI-HUUCEWRRSA-N 1 2 358.829 3.050 20 30 FGEDLO Cc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc(C)[nH+]1 ZINC000420699073 500489206 /nfs/dbraw/zinc/48/92/06/500489206.db2.gz MKROZXSSDNGJIX-UHFFFAOYSA-N 1 2 369.368 3.067 20 30 FGEDLO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1c(F)cccc1F ZINC000420806973 500506256 /nfs/dbraw/zinc/50/62/56/500506256.db2.gz QEXZSBVBZXEYKO-HNNXBMFYSA-N 1 2 364.421 3.000 20 30 FGEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000432558309 500532770 /nfs/dbraw/zinc/53/27/70/500532770.db2.gz OWNUTZACQGKSMX-IBGZPJMESA-N 1 2 359.514 3.270 20 30 FGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000428858784 500567166 /nfs/dbraw/zinc/56/71/66/500567166.db2.gz XSXKWNSNUVUPGM-CQSZACIVSA-N 1 2 356.495 3.475 20 30 FGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000428858784 500567170 /nfs/dbraw/zinc/56/71/70/500567170.db2.gz XSXKWNSNUVUPGM-CQSZACIVSA-N 1 2 356.495 3.475 20 30 FGEDLO N#Cc1c(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cn2ccccc12 ZINC000428867550 500568097 /nfs/dbraw/zinc/56/80/97/500568097.db2.gz LYSSPYZAXLPZJU-UHFFFAOYSA-N 1 2 362.408 3.214 20 30 FGEDLO N#Cc1c(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cn2ccccc12 ZINC000428867550 500568098 /nfs/dbraw/zinc/56/80/98/500568098.db2.gz LYSSPYZAXLPZJU-UHFFFAOYSA-N 1 2 362.408 3.214 20 30 FGEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433237547 500652273 /nfs/dbraw/zinc/65/22/73/500652273.db2.gz XVXYVGCBZHEKBZ-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433237547 500652275 /nfs/dbraw/zinc/65/22/75/500652275.db2.gz XVXYVGCBZHEKBZ-UHFFFAOYSA-N 1 2 366.845 3.256 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000437990975 500725593 /nfs/dbraw/zinc/72/55/93/500725593.db2.gz WOZQGEXYOALXSH-ICSRJNTNSA-N 1 2 368.481 3.054 20 30 FGEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c(Cl)c1 ZINC000443945771 500781682 /nfs/dbraw/zinc/78/16/82/500781682.db2.gz KAZNAUBNSDIGGF-UHFFFAOYSA-N 1 2 368.872 3.150 20 30 FGEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c(Cl)c1 ZINC000443945771 500781684 /nfs/dbraw/zinc/78/16/84/500781684.db2.gz KAZNAUBNSDIGGF-UHFFFAOYSA-N 1 2 368.872 3.150 20 30 FGEDLO Cn1ccc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000438452467 500786897 /nfs/dbraw/zinc/78/68/97/500786897.db2.gz VJCZHWFMEXENKZ-UHFFFAOYSA-N 1 2 373.460 3.400 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000448692489 500804846 /nfs/dbraw/zinc/80/48/46/500804846.db2.gz XDLIQMDERZMIJK-COXVUDFISA-N 1 2 366.864 3.323 20 30 FGEDLO C=CCC1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCCCC1 ZINC000448709775 500811177 /nfs/dbraw/zinc/81/11/77/500811177.db2.gz QSONRCKGXGETKT-QGZVFWFLSA-N 1 2 357.498 3.450 20 30 FGEDLO C=CC[C@@H](CO)CNC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000434255525 500817118 /nfs/dbraw/zinc/81/71/18/500817118.db2.gz VYMQTELTGFROAK-KDOFPFPSSA-N 1 2 368.880 3.307 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOc4c(F)cccc4C3)C2=O)cc1 ZINC000434623586 500868445 /nfs/dbraw/zinc/86/84/45/500868445.db2.gz DDQPJEDYSVBGTR-IBGZPJMESA-N 1 2 365.408 3.087 20 30 FGEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOc4c(F)cccc4C3)C2=O)cc1 ZINC000434623586 500868448 /nfs/dbraw/zinc/86/84/48/500868448.db2.gz DDQPJEDYSVBGTR-IBGZPJMESA-N 1 2 365.408 3.087 20 30 FGEDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444758418 500894222 /nfs/dbraw/zinc/89/42/22/500894222.db2.gz CRPKWPZOYKLTCL-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)Oc3ccc(C#N)cc3)cn21 ZINC000592745485 506226018 /nfs/dbraw/zinc/22/60/18/506226018.db2.gz FTDJZKIJPJCRQU-UHFFFAOYSA-N 1 2 362.433 3.031 20 30 FGEDLO CC(C)C[C@H](C)OCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000445644588 501015494 /nfs/dbraw/zinc/01/54/94/501015494.db2.gz HWBNOTKRTNSPNF-SFHVURJKSA-N 1 2 357.498 3.044 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccn(CC(F)(F)F)n3)CC2)c1 ZINC000450356913 501099613 /nfs/dbraw/zinc/09/96/13/501099613.db2.gz IXPDWECSYLLHMY-UHFFFAOYSA-N 1 2 364.371 3.360 20 30 FGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)c1 ZINC000441472028 501145031 /nfs/dbraw/zinc/14/50/31/501145031.db2.gz JFJVHYUXRPVSGV-UHFFFAOYSA-N 1 2 366.343 3.089 20 30 FGEDLO CCS(=O)(=O)c1ccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000450311525 501231018 /nfs/dbraw/zinc/23/10/18/501231018.db2.gz DEGUBMVNDMRDJI-UHFFFAOYSA-N 1 2 372.490 3.000 20 30 FGEDLO CCS(=O)(=O)c1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000450311525 501231020 /nfs/dbraw/zinc/23/10/20/501231020.db2.gz DEGUBMVNDMRDJI-UHFFFAOYSA-N 1 2 372.490 3.000 20 30 FGEDLO Cc1ccc([C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])[NH+]2CCOCC2)s1 ZINC000450322424 501233572 /nfs/dbraw/zinc/23/35/72/501233572.db2.gz ZAIIDCDAELDQCA-MRXNPFEDSA-N 1 2 372.450 3.322 20 30 FGEDLO C=CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCCC1 ZINC000451408094 501285591 /nfs/dbraw/zinc/28/55/91/501285591.db2.gz YDFQWWDCHNFJGW-UXHICEINSA-N 1 2 354.494 3.235 20 30 FGEDLO C=CCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCCC1 ZINC000451408094 501285593 /nfs/dbraw/zinc/28/55/93/501285593.db2.gz YDFQWWDCHNFJGW-UXHICEINSA-N 1 2 354.494 3.235 20 30 FGEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)CC#N)c(C)c1 ZINC000458590910 501482671 /nfs/dbraw/zinc/48/26/71/501482671.db2.gz YBINLIJUNLJQDP-SFHVURJKSA-N 1 2 353.470 3.480 20 30 FGEDLO Cc1cc(C(F)F)oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000598978468 506258180 /nfs/dbraw/zinc/25/81/80/506258180.db2.gz UJGVILOVLVOLOM-UHFFFAOYSA-N 1 2 359.376 3.355 20 30 FGEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000456352339 501507766 /nfs/dbraw/zinc/50/77/66/501507766.db2.gz LREJUCSVQOPEOZ-AWEZNQCLSA-N 1 2 369.444 3.008 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000452642992 501536789 /nfs/dbraw/zinc/53/67/89/501536789.db2.gz IJXJDUUBKWOAOI-IBGZPJMESA-N 1 2 369.852 3.246 20 30 FGEDLO N#CCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000452642992 501536791 /nfs/dbraw/zinc/53/67/91/501536791.db2.gz IJXJDUUBKWOAOI-IBGZPJMESA-N 1 2 369.852 3.246 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000596101110 506259359 /nfs/dbraw/zinc/25/93/59/506259359.db2.gz AYVIMOCJPDYJEL-WMLDXEAASA-N 1 2 371.872 3.498 20 30 FGEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000459254698 501620121 /nfs/dbraw/zinc/62/01/21/501620121.db2.gz FVPZGDKPGHIQLU-QZTJIDSGSA-N 1 2 351.454 3.351 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000459308672 501628845 /nfs/dbraw/zinc/62/88/45/501628845.db2.gz OUPWZMSPRJYCDR-INIZCTEOSA-N 1 2 364.405 3.317 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000459308672 501628846 /nfs/dbraw/zinc/62/88/46/501628846.db2.gz OUPWZMSPRJYCDR-INIZCTEOSA-N 1 2 364.405 3.317 20 30 FGEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459456837 501656784 /nfs/dbraw/zinc/65/67/84/501656784.db2.gz CKNJBYIHPQENDG-TVQRCGJNSA-N 1 2 370.236 3.000 20 30 FGEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000459462409 501658255 /nfs/dbraw/zinc/65/82/55/501658255.db2.gz JPSCGUGLPASGTQ-HUBLWGQQSA-N 1 2 363.483 3.096 20 30 FGEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)ncc1C#N ZINC000457424504 501696123 /nfs/dbraw/zinc/69/61/23/501696123.db2.gz UINVEVMAHSADFK-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459755770 501709098 /nfs/dbraw/zinc/70/90/98/501709098.db2.gz FQUVLMNHRHZYCB-OAHLLOKOSA-N 1 2 360.454 3.034 20 30 FGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000459755770 501709102 /nfs/dbraw/zinc/70/91/02/501709102.db2.gz FQUVLMNHRHZYCB-OAHLLOKOSA-N 1 2 360.454 3.034 20 30 FGEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000474245678 501759186 /nfs/dbraw/zinc/75/91/86/501759186.db2.gz MGAGCWXYZVVMBB-UHFFFAOYSA-N 1 2 367.880 3.407 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304784 501766772 /nfs/dbraw/zinc/76/67/72/501766772.db2.gz PEBPMJUNLYGGBM-OIISXLGYSA-N 1 2 367.367 3.210 20 30 FGEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467304784 501766777 /nfs/dbraw/zinc/76/67/77/501766777.db2.gz PEBPMJUNLYGGBM-OIISXLGYSA-N 1 2 367.367 3.210 20 30 FGEDLO N#Cc1c(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)n[nH]c1C1CC1 ZINC000582539426 506283062 /nfs/dbraw/zinc/28/30/62/506283062.db2.gz UTCWDHRINIUWSV-UHFFFAOYSA-N 1 2 360.421 3.415 20 30 FGEDLO Cc1ccccc1C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000478438092 501982169 /nfs/dbraw/zinc/98/21/69/501982169.db2.gz WQFZPMHUPGJNAF-UHFFFAOYSA-N 1 2 354.475 3.305 20 30 FGEDLO Cc1ccccc1C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000478438092 501982174 /nfs/dbraw/zinc/98/21/74/501982174.db2.gz WQFZPMHUPGJNAF-UHFFFAOYSA-N 1 2 354.475 3.305 20 30 FGEDLO C[C@@H]1CN(c2ccc(NCc3c(F)cc(C#N)cc3F)c[nH+]2)C[C@H](C)O1 ZINC000475431809 502170150 /nfs/dbraw/zinc/17/01/50/502170150.db2.gz OZIADMCRJAUVSC-BETUJISGSA-N 1 2 358.392 3.457 20 30 FGEDLO N#Cc1ccc(F)c(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1 ZINC000486520719 502180433 /nfs/dbraw/zinc/18/04/33/502180433.db2.gz VAWNBVPFAZWSOR-UHFFFAOYSA-N 1 2 352.413 3.399 20 30 FGEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000479280042 502214443 /nfs/dbraw/zinc/21/44/43/502214443.db2.gz JCWVBQGUYNZTEV-UHFFFAOYSA-N 1 2 367.474 3.239 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000475733262 502269899 /nfs/dbraw/zinc/26/98/99/502269899.db2.gz SUFMJZXTLYYWHU-KRWDZBQOSA-N 1 2 365.477 3.454 20 30 FGEDLO CC(C)N(C)c1ccc(CNc2ccn(-c3ccc(C#N)cc3F)n2)c[nH+]1 ZINC000480288176 502527371 /nfs/dbraw/zinc/52/73/71/502527371.db2.gz KHLCNBUFAQYBOP-UHFFFAOYSA-N 1 2 364.428 3.157 20 30 FGEDLO C=C(C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000487871821 502552794 /nfs/dbraw/zinc/55/27/94/502552794.db2.gz CVPVSGYGJCSTMV-MRXNPFEDSA-N 1 2 363.230 3.418 20 30 FGEDLO C[C@H]1CN(c2ccc(Nc3cc(C#N)ccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000466495288 502587097 /nfs/dbraw/zinc/58/70/97/502587097.db2.gz CBMRHUNEGZCLLM-STQMWFEESA-N 1 2 353.382 3.219 20 30 FGEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)cc1C(F)(F)F ZINC000596237398 506323224 /nfs/dbraw/zinc/32/32/24/506323224.db2.gz XDBLXYWADWOHLF-GFCCVEGCSA-N 1 2 374.366 3.190 20 30 FGEDLO N#Cc1cccc(C2(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000480595157 502614804 /nfs/dbraw/zinc/61/48/04/502614804.db2.gz KWQJBXIOJAZTAB-UHFFFAOYSA-N 1 2 371.444 3.292 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000469977035 502615454 /nfs/dbraw/zinc/61/54/54/502615454.db2.gz PUDRVEHLHFDYPE-INIZCTEOSA-N 1 2 354.454 3.023 20 30 FGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(C)n1C ZINC000462904992 502622008 /nfs/dbraw/zinc/62/20/08/502622008.db2.gz YCVXSNMUMUDXAC-UHFFFAOYSA-N 1 2 358.486 3.476 20 30 FGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(C)n1C ZINC000462904992 502622009 /nfs/dbraw/zinc/62/20/09/502622009.db2.gz YCVXSNMUMUDXAC-UHFFFAOYSA-N 1 2 358.486 3.476 20 30 FGEDLO Cc1cc(N2CC[C@@H](Oc3cncc(Br)c3)C2)c(C#N)c[nH+]1 ZINC000599105866 506324945 /nfs/dbraw/zinc/32/49/45/506324945.db2.gz GJOBGAVTUUZKEX-CQSZACIVSA-N 1 2 359.227 3.077 20 30 FGEDLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854357 506327484 /nfs/dbraw/zinc/32/74/84/506327484.db2.gz BLXVWJKXPKHGQS-MGPQQGTHSA-N 1 2 359.861 3.369 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000463075388 502684681 /nfs/dbraw/zinc/68/46/81/502684681.db2.gz YMRIEONFCIASKW-ZDUSSCGKSA-N 1 2 371.828 3.398 20 30 FGEDLO N#CCC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)CC1CC1 ZINC000484897051 502768710 /nfs/dbraw/zinc/76/87/10/502768710.db2.gz AKWJGDNDBZXTHC-UHFFFAOYSA-N 1 2 351.450 3.434 20 30 FGEDLO N#CCC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)CC1CC1 ZINC000484897051 502768715 /nfs/dbraw/zinc/76/87/15/502768715.db2.gz AKWJGDNDBZXTHC-UHFFFAOYSA-N 1 2 351.450 3.434 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CSc1ccc(C#N)cc1 ZINC000484932931 502780968 /nfs/dbraw/zinc/78/09/68/502780968.db2.gz ILAWVVDCCQMFAA-UHFFFAOYSA-N 1 2 350.447 3.125 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489298132 502922188 /nfs/dbraw/zinc/92/21/88/502922188.db2.gz RCXQNSVVAPHSEU-INIZCTEOSA-N 1 2 374.909 3.329 20 30 FGEDLO C=CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489298132 502922191 /nfs/dbraw/zinc/92/21/91/502922191.db2.gz RCXQNSVVAPHSEU-INIZCTEOSA-N 1 2 374.909 3.329 20 30 FGEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000509573373 502937936 /nfs/dbraw/zinc/93/79/36/502937936.db2.gz RDSVHSLGKBQCRG-UHFFFAOYSA-N 1 2 373.501 3.322 20 30 FGEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000489580071 502990870 /nfs/dbraw/zinc/99/08/70/502990870.db2.gz UMKNSKVWDRETKZ-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000510212212 503072056 /nfs/dbraw/zinc/07/20/56/503072056.db2.gz MUIDSRMGTZXNGC-UHFFFAOYSA-N 1 2 369.490 3.389 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000490045084 503097167 /nfs/dbraw/zinc/09/71/67/503097167.db2.gz GFCUXGSIODANCL-GOSISDBHSA-N 1 2 357.841 3.470 20 30 FGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000490045084 503097171 /nfs/dbraw/zinc/09/71/71/503097171.db2.gz GFCUXGSIODANCL-GOSISDBHSA-N 1 2 357.841 3.470 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)c1 ZINC000506687551 503156536 /nfs/dbraw/zinc/15/65/36/503156536.db2.gz MJEVDZJORMPIFR-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342045 503183554 /nfs/dbraw/zinc/18/35/54/503183554.db2.gz WMVOTJQEWGXSAE-XLIONFOSSA-N 1 2 373.472 3.329 20 30 FGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502342045 503183556 /nfs/dbraw/zinc/18/35/56/503183556.db2.gz WMVOTJQEWGXSAE-XLIONFOSSA-N 1 2 373.472 3.329 20 30 FGEDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1C ZINC000602927675 506356640 /nfs/dbraw/zinc/35/66/40/506356640.db2.gz XUWZWTBKQOEGRP-AWEZNQCLSA-N 1 2 357.458 3.060 20 30 FGEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1C ZINC000602927675 506356647 /nfs/dbraw/zinc/35/66/47/506356647.db2.gz XUWZWTBKQOEGRP-AWEZNQCLSA-N 1 2 357.458 3.060 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000506940122 503197577 /nfs/dbraw/zinc/19/75/77/503197577.db2.gz QRSYSZNTZXXNCB-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000511102765 503254882 /nfs/dbraw/zinc/25/48/82/503254882.db2.gz YBOXMBZCMSRPLF-UHFFFAOYSA-N 1 2 369.852 3.320 20 30 FGEDLO N#Cc1cccc(F)c1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000507550570 503319872 /nfs/dbraw/zinc/31/98/72/503319872.db2.gz LEGQMLKUSRFZIL-UHFFFAOYSA-N 1 2 364.380 3.154 20 30 FGEDLO COc1cccc([C@H](C)N2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000507721130 503355617 /nfs/dbraw/zinc/35/56/17/503355617.db2.gz YXYFKZWQYFMRDA-SFHVURJKSA-N 1 2 365.477 3.324 20 30 FGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2c(cc1Br)OCCO2 ZINC000515666263 503381873 /nfs/dbraw/zinc/38/18/73/503381873.db2.gz ULWKDUWNAWRNBJ-NSHDSACASA-N 1 2 374.238 3.338 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493815386 503448208 /nfs/dbraw/zinc/44/82/08/503448208.db2.gz IHJKBIYOUBPUKV-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000493837171 503448959 /nfs/dbraw/zinc/44/89/59/503448959.db2.gz BGPDCZPOKGBNGS-YLJYHZDGSA-N 1 2 365.477 3.377 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(CO)o1 ZINC000512164021 503473379 /nfs/dbraw/zinc/47/33/79/503473379.db2.gz BDZXBMJQEACXJP-UHFFFAOYSA-N 1 2 373.478 3.339 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(CO)o1 ZINC000512164021 503473383 /nfs/dbraw/zinc/47/33/83/503473383.db2.gz BDZXBMJQEACXJP-UHFFFAOYSA-N 1 2 373.478 3.339 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512166643 503474643 /nfs/dbraw/zinc/47/46/43/503474643.db2.gz OMNWYYJZSBDVNX-UHFFFAOYSA-N 1 2 374.393 3.125 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512166643 503474648 /nfs/dbraw/zinc/47/46/48/503474648.db2.gz OMNWYYJZSBDVNX-UHFFFAOYSA-N 1 2 374.393 3.125 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000512182279 503479468 /nfs/dbraw/zinc/47/94/68/503479468.db2.gz IVVMADMCHMLORD-UHFFFAOYSA-N 1 2 356.445 3.058 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512216951 503488708 /nfs/dbraw/zinc/48/87/08/503488708.db2.gz CLTWLANFRJUIKR-QGZVFWFLSA-N 1 2 368.477 3.123 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512216951 503488710 /nfs/dbraw/zinc/48/87/10/503488710.db2.gz CLTWLANFRJUIKR-QGZVFWFLSA-N 1 2 368.477 3.123 20 30 FGEDLO CC(C)(CO)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000516352469 503499806 /nfs/dbraw/zinc/49/98/06/503499806.db2.gz XENCCORTXMXFDZ-IBGZPJMESA-N 1 2 362.433 3.458 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000512260645 503501578 /nfs/dbraw/zinc/50/15/78/503501578.db2.gz ODJNOQVYNFMYKQ-UHFFFAOYSA-N 1 2 368.452 3.277 20 30 FGEDLO Cc1ccc2c(c1)C[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000512292376 503511655 /nfs/dbraw/zinc/51/16/55/503511655.db2.gz GZQJXHGNNIEXRC-FQEVSTJZSA-N 1 2 361.445 3.257 20 30 FGEDLO Cc1ccc2c(c1)C[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000512292376 503511656 /nfs/dbraw/zinc/51/16/56/503511656.db2.gz GZQJXHGNNIEXRC-FQEVSTJZSA-N 1 2 361.445 3.257 20 30 FGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985209 503527193 /nfs/dbraw/zinc/52/71/93/503527193.db2.gz BYENOWVGUFHMJN-VQTJNVASSA-N 1 2 363.461 3.085 20 30 FGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O ZINC000499985209 503527197 /nfs/dbraw/zinc/52/71/97/503527197.db2.gz BYENOWVGUFHMJN-VQTJNVASSA-N 1 2 363.461 3.085 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(CO)o1 ZINC000512443407 503553441 /nfs/dbraw/zinc/55/34/41/503553441.db2.gz BSKNUVYNTXXRJB-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(CO)o1 ZINC000512443407 503553446 /nfs/dbraw/zinc/55/34/46/503553446.db2.gz BSKNUVYNTXXRJB-UHFFFAOYSA-N 1 2 373.409 3.005 20 30 FGEDLO COc1ccc(C[NH+]2CCN(Cc3cccc(C#N)c3F)CC2)cc1F ZINC000512469364 503561715 /nfs/dbraw/zinc/56/17/15/503561715.db2.gz QAFKCJCRTSEUGF-UHFFFAOYSA-N 1 2 357.404 3.163 20 30 FGEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(-c3cccc(C#N)c3)no1)CCC2 ZINC000516827950 503594997 /nfs/dbraw/zinc/59/49/97/503594997.db2.gz ICYQDHZZYFIWSC-MRXNPFEDSA-N 1 2 361.405 3.026 20 30 FGEDLO CC(C)(C#N)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000512773307 503629212 /nfs/dbraw/zinc/62/92/12/503629212.db2.gz LIMNZZSKSDMECL-UHFFFAOYSA-N 1 2 359.861 3.298 20 30 FGEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCC#N)c2ccc(F)cc2F)c1 ZINC000543427635 503765428 /nfs/dbraw/zinc/76/54/28/503765428.db2.gz QOEPCSBTRUWOAQ-SFHVURJKSA-N 1 2 364.417 3.351 20 30 FGEDLO COCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(C)o1 ZINC000543509948 503798346 /nfs/dbraw/zinc/79/83/46/503798346.db2.gz LITIRPCHYPDGMB-INIZCTEOSA-N 1 2 352.394 3.377 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(CC#N)CC2)C[C@H](C)O1 ZINC000541043173 503984173 /nfs/dbraw/zinc/98/41/73/503984173.db2.gz XUGVGNPQCYCOHB-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(CC#N)CC2)C[C@H](C)O1 ZINC000541043173 503984181 /nfs/dbraw/zinc/98/41/81/503984181.db2.gz XUGVGNPQCYCOHB-CALCHBBNSA-N 1 2 370.497 3.453 20 30 FGEDLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990566 504010764 /nfs/dbraw/zinc/01/07/64/504010764.db2.gz JSYMBETXTSTVKA-AZUAARDMSA-N 1 2 357.498 3.440 20 30 FGEDLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 ZINC000533990566 504010770 /nfs/dbraw/zinc/01/07/70/504010770.db2.gz JSYMBETXTSTVKA-AZUAARDMSA-N 1 2 357.498 3.440 20 30 FGEDLO CC(C)c1[nH+]c2ccccc2n1Cc1noc(Cc2ccc(C#N)nc2)n1 ZINC000528173204 504104891 /nfs/dbraw/zinc/10/48/91/504104891.db2.gz SELUTZWKSPLUKI-UHFFFAOYSA-N 1 2 358.405 3.448 20 30 FGEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000530877208 504116459 /nfs/dbraw/zinc/11/64/59/504116459.db2.gz KGRKLOLMJGEUBN-HNNXBMFYSA-N 1 2 374.322 3.156 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CC=CCC3)CC2)cc1 ZINC000528234648 504128932 /nfs/dbraw/zinc/12/89/32/504128932.db2.gz LKLXXMYCMZNKOT-GOSISDBHSA-N 1 2 352.482 3.132 20 30 FGEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1c(C)nn(C)c1C ZINC000544423921 504129092 /nfs/dbraw/zinc/12/90/92/504129092.db2.gz IFMDGZRWHYGFAR-INIZCTEOSA-N 1 2 350.426 3.200 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000544467293 504144586 /nfs/dbraw/zinc/14/45/86/504144586.db2.gz YWKBQZMPRDNQLX-AUSJPIAWSA-N 1 2 354.454 3.435 20 30 FGEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)Cc1ccc(OC)cc1OC ZINC000534463753 504149767 /nfs/dbraw/zinc/14/97/67/504149767.db2.gz FHTBAWAPLGFLDA-UHFFFAOYSA-N 1 2 368.433 3.384 20 30 FGEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)Cc1ccc(OC)cc1OC ZINC000534463753 504149773 /nfs/dbraw/zinc/14/97/73/504149773.db2.gz FHTBAWAPLGFLDA-UHFFFAOYSA-N 1 2 368.433 3.384 20 30 FGEDLO CC(C)(C#N)CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000538469444 504255071 /nfs/dbraw/zinc/25/50/71/504255071.db2.gz ABZPXCJCHOWDCH-UHFFFAOYSA-N 1 2 365.477 3.493 20 30 FGEDLO CC(C)(C#N)CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000538469444 504255076 /nfs/dbraw/zinc/25/50/76/504255076.db2.gz ABZPXCJCHOWDCH-UHFFFAOYSA-N 1 2 365.477 3.493 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528788473 504383114 /nfs/dbraw/zinc/38/31/14/504383114.db2.gz NGJKBKJUHMVIIS-OAHLLOKOSA-N 1 2 359.227 3.153 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c(Br)c1 ZINC000528788473 504383117 /nfs/dbraw/zinc/38/31/17/504383117.db2.gz NGJKBKJUHMVIIS-OAHLLOKOSA-N 1 2 359.227 3.153 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000539028839 504451019 /nfs/dbraw/zinc/45/10/19/504451019.db2.gz HNDDNNMICSKBCY-ROUUACIJSA-N 1 2 363.889 3.072 20 30 FGEDLO C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000539028839 504451023 /nfs/dbraw/zinc/45/10/23/504451023.db2.gz HNDDNNMICSKBCY-ROUUACIJSA-N 1 2 363.889 3.072 20 30 FGEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548638717 504506139 /nfs/dbraw/zinc/50/61/39/504506139.db2.gz NIYSCCKFFSYQGD-CYBMUJFWSA-N 1 2 365.355 3.212 20 30 FGEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C#N ZINC000535726517 504521237 /nfs/dbraw/zinc/52/12/37/504521237.db2.gz DCTVJZUGOBYLTI-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C#N ZINC000535726517 504521243 /nfs/dbraw/zinc/52/12/43/504521243.db2.gz DCTVJZUGOBYLTI-UHFFFAOYSA-N 1 2 365.389 3.418 20 30 FGEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000542581726 504545806 /nfs/dbraw/zinc/54/58/06/504545806.db2.gz STADVAAQLYQGHS-MNOVXSKESA-N 1 2 373.482 3.258 20 30 FGEDLO COc1ccc2oc([C@H](C)[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)c(C)c2c1 ZINC000542585906 504547014 /nfs/dbraw/zinc/54/70/14/504547014.db2.gz KYIVSUSQRKJLTB-ORAYPTAESA-N 1 2 363.417 3.499 20 30 FGEDLO C=CC[N@@H+](Cc1ncc(COC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539383690 504548807 /nfs/dbraw/zinc/54/88/07/504548807.db2.gz VYQACBHJGLOIAX-CQSZACIVSA-N 1 2 370.482 3.014 20 30 FGEDLO C=CC[N@H+](Cc1ncc(COC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539383690 504548809 /nfs/dbraw/zinc/54/88/09/504548809.db2.gz VYQACBHJGLOIAX-CQSZACIVSA-N 1 2 370.482 3.014 20 30 FGEDLO COCc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC000529211198 504585722 /nfs/dbraw/zinc/58/57/22/504585722.db2.gz NAESONUKIYCGJO-UHFFFAOYSA-N 1 2 365.437 3.022 20 30 FGEDLO Cc1ccccc1-c1cnc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000536021056 504611237 /nfs/dbraw/zinc/61/12/37/504611237.db2.gz ZCLWUZPUZCGEST-INIZCTEOSA-N 1 2 374.448 3.022 20 30 FGEDLO Cc1ccccc1-c1cnc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000536021056 504611242 /nfs/dbraw/zinc/61/12/42/504611242.db2.gz ZCLWUZPUZCGEST-INIZCTEOSA-N 1 2 374.448 3.022 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378138 504627775 /nfs/dbraw/zinc/62/77/75/504627775.db2.gz HLFQWEYJRRCOJL-JKSUJKDBSA-N 1 2 371.481 3.329 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378138 504627780 /nfs/dbraw/zinc/62/77/80/504627780.db2.gz HLFQWEYJRRCOJL-JKSUJKDBSA-N 1 2 371.481 3.329 20 30 FGEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000542850757 504633524 /nfs/dbraw/zinc/63/35/24/504633524.db2.gz NLEIRXHWXSJKOI-MSOLQXFVSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000542850757 504633530 /nfs/dbraw/zinc/63/35/30/504633530.db2.gz NLEIRXHWXSJKOI-MSOLQXFVSA-N 1 2 362.424 3.045 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767838 504680400 /nfs/dbraw/zinc/68/04/00/504680400.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH]1 ZINC000539767838 504680402 /nfs/dbraw/zinc/68/04/02/504680402.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767838 504680405 /nfs/dbraw/zinc/68/04/05/504680405.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000539767838 504680407 /nfs/dbraw/zinc/68/04/07/504680407.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767838 504680410 /nfs/dbraw/zinc/68/04/10/504680410.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO Cc1nc([C@@H]2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)n[nH]1 ZINC000539767838 504680413 /nfs/dbraw/zinc/68/04/13/504680413.db2.gz MZXPBNSKLBIFJK-OAHLLOKOSA-N 1 2 364.371 3.243 20 30 FGEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 ZINC000532901818 504772323 /nfs/dbraw/zinc/77/23/23/504772323.db2.gz IGFKNLAHKKKQEB-UHFFFAOYSA-N 1 2 363.870 3.360 20 30 FGEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 ZINC000532901818 504772324 /nfs/dbraw/zinc/77/23/24/504772324.db2.gz IGFKNLAHKKKQEB-UHFFFAOYSA-N 1 2 363.870 3.360 20 30 FGEDLO N#Cc1ccnc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000559271847 504815476 /nfs/dbraw/zinc/81/54/76/504815476.db2.gz PCPQCZUWIZQXMI-QGZVFWFLSA-N 1 2 372.831 3.313 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000565281768 504841894 /nfs/dbraw/zinc/84/18/94/504841894.db2.gz OIPSZPHXWUCSQR-UHFFFAOYSA-N 1 2 365.456 3.015 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000559350510 504844001 /nfs/dbraw/zinc/84/40/01/504844001.db2.gz MZLNVWLLDIMUAT-HOCLYGCPSA-N 1 2 350.466 3.304 20 30 FGEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000559350510 504844005 /nfs/dbraw/zinc/84/40/05/504844005.db2.gz MZLNVWLLDIMUAT-HOCLYGCPSA-N 1 2 350.466 3.304 20 30 FGEDLO N#Cc1ncn(CCNc2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)n1 ZINC000565394897 504874064 /nfs/dbraw/zinc/87/40/64/504874064.db2.gz MIMCXODMEZMILN-UHFFFAOYSA-N 1 2 352.829 3.342 20 30 FGEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NCC1(CC#N)CC1 ZINC000562629412 504886571 /nfs/dbraw/zinc/88/65/71/504886571.db2.gz HOYFDUMLDAUZBO-MRXNPFEDSA-N 1 2 351.454 3.213 20 30 FGEDLO CCc1oc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C(=O)OC ZINC000549781157 504897210 /nfs/dbraw/zinc/89/72/10/504897210.db2.gz BQOYPKWJMUUJMN-IBGZPJMESA-N 1 2 367.449 3.011 20 30 FGEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000553434436 504914538 /nfs/dbraw/zinc/91/45/38/504914538.db2.gz BPGLCNXOTIICRU-UHFFFAOYSA-N 1 2 365.433 3.485 20 30 FGEDLO N#Cc1ccccc1CSCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000559743056 504921288 /nfs/dbraw/zinc/92/12/88/504921288.db2.gz IQVFNSUEEJDMIU-SFHVURJKSA-N 1 2 367.453 3.428 20 30 FGEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1C ZINC000565650683 504949015 /nfs/dbraw/zinc/94/90/15/504949015.db2.gz GSJJUXMWNZQMBP-UHFFFAOYSA-N 1 2 362.477 3.403 20 30 FGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1cccc(C(=O)OC)c1C#N ZINC000549999087 504949715 /nfs/dbraw/zinc/94/97/15/504949715.db2.gz PEHNNMGBJBNACB-SFHVURJKSA-N 1 2 352.438 3.288 20 30 FGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cc(C(F)(F)F)on1 ZINC000565775906 504984516 /nfs/dbraw/zinc/98/45/16/504984516.db2.gz BAEWZEDJVIFFEF-UHFFFAOYSA-N 1 2 354.288 3.498 20 30 FGEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000566013020 505055352 /nfs/dbraw/zinc/05/53/52/505055352.db2.gz CCUDEOIUBQUJEV-MEDUHNTESA-N 1 2 370.266 3.042 20 30 FGEDLO C=C(C)[C@@H]1OCCC[C@@H]1c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000557353258 505114724 /nfs/dbraw/zinc/11/47/24/505114724.db2.gz BIMNMXIYZDHVNI-OALUTQOASA-N 1 2 369.465 3.408 20 30 FGEDLO Cc1ccc2[nH+]c(CN3CCN(c4ccc(C#N)cc4Cl)CC3)cn2c1 ZINC000551583794 505260359 /nfs/dbraw/zinc/26/03/59/505260359.db2.gz BMFOPPWOAWPCGT-UHFFFAOYSA-N 1 2 365.868 3.490 20 30 FGEDLO N#Cc1cc(Cl)cc(Br)c1NCC[N@@H+]1CCCOCC1 ZINC000561303125 505309146 /nfs/dbraw/zinc/30/91/46/505309146.db2.gz FWMTYKFDJGDDDO-UHFFFAOYSA-N 1 2 358.667 3.108 20 30 FGEDLO N#Cc1cc(Cl)cc(Br)c1NCC[N@H+]1CCCOCC1 ZINC000561303125 505309151 /nfs/dbraw/zinc/30/91/51/505309151.db2.gz FWMTYKFDJGDDDO-UHFFFAOYSA-N 1 2 358.667 3.108 20 30 FGEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000564054863 505313843 /nfs/dbraw/zinc/31/38/43/505313843.db2.gz TXERUYQGHQZKIE-WDEREUQCSA-N 1 2 373.482 3.115 20 30 FGEDLO CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000558337688 505363266 /nfs/dbraw/zinc/36/32/66/505363266.db2.gz JWMOLARKVSKQRR-HXUWFJFHSA-N 1 2 362.477 3.181 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000555225199 505384514 /nfs/dbraw/zinc/38/45/14/505384514.db2.gz UFXUANWFIZNLEV-HNNXBMFYSA-N 1 2 368.868 3.434 20 30 FGEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1Cl ZINC000555415726 505427816 /nfs/dbraw/zinc/42/78/16/505427816.db2.gz VEXUESFFNLDAHG-UHFFFAOYSA-N 1 2 367.833 3.213 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1C#N ZINC000558817710 505501546 /nfs/dbraw/zinc/50/15/46/505501546.db2.gz SIBIYKQKBUZCOH-LLVKDONJSA-N 1 2 374.238 3.353 20 30 FGEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000562050881 505503263 /nfs/dbraw/zinc/50/32/63/505503263.db2.gz APGCBIVBMFAJFK-UHFFFAOYSA-N 1 2 363.373 3.064 20 30 FGEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1 ZINC000559034802 505555096 /nfs/dbraw/zinc/55/50/96/505555096.db2.gz RANZMVZCMXXCPZ-KBPBESRZSA-N 1 2 351.372 3.155 20 30 FGEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000599258475 506388117 /nfs/dbraw/zinc/38/81/17/506388117.db2.gz GXCDWAYSHPRNTN-UHFFFAOYSA-N 1 2 355.388 3.103 20 30 FGEDLO N#Cc1ccnc(N2CC[NH+](Cc3coc(-c4ccccc4F)n3)CC2)c1 ZINC000599267787 506390322 /nfs/dbraw/zinc/39/03/22/506390322.db2.gz ZFAHQQNVAQKQSZ-UHFFFAOYSA-N 1 2 363.396 3.070 20 30 FGEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000593154392 506428601 /nfs/dbraw/zinc/42/86/01/506428601.db2.gz MBRYVKSCRAXANE-GOSISDBHSA-N 1 2 358.829 3.101 20 30 FGEDLO N#CC1(C[C@H](O)C[N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CCOCC1 ZINC000599387816 506437492 /nfs/dbraw/zinc/43/74/92/506437492.db2.gz SODDDQZEJNDDNS-SFHVURJKSA-N 1 2 373.884 3.182 20 30 FGEDLO N#CC1(C[C@H](O)C[N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CCOCC1 ZINC000599387816 506437499 /nfs/dbraw/zinc/43/74/99/506437499.db2.gz SODDDQZEJNDDNS-SFHVURJKSA-N 1 2 373.884 3.182 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599395270 506440686 /nfs/dbraw/zinc/44/06/86/506440686.db2.gz AWTGEWDNVDYINU-FQEVSTJZSA-N 1 2 356.853 3.365 20 30 FGEDLO N#Cc1cc(Cl)ccc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599395270 506440693 /nfs/dbraw/zinc/44/06/93/506440693.db2.gz AWTGEWDNVDYINU-FQEVSTJZSA-N 1 2 356.853 3.365 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CF)c1C#N ZINC000582859334 506457739 /nfs/dbraw/zinc/45/77/39/506457739.db2.gz YIPOMUNWFVCQMS-QGZVFWFLSA-N 1 2 372.419 3.477 20 30 FGEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2CF)c1C#N ZINC000582859334 506457746 /nfs/dbraw/zinc/45/77/46/506457746.db2.gz YIPOMUNWFVCQMS-QGZVFWFLSA-N 1 2 372.419 3.477 20 30 FGEDLO N#CC1(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCCCC1 ZINC000596673545 506524870 /nfs/dbraw/zinc/52/48/70/506524870.db2.gz BYOWYHMXBRDQQN-MRXNPFEDSA-N 1 2 361.511 3.102 20 30 FGEDLO N#CC1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000596695631 506543304 /nfs/dbraw/zinc/54/33/04/506543304.db2.gz VEFOFOBEOCAXAD-UHFFFAOYSA-N 1 2 356.470 3.114 20 30 FGEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612375503 506550433 /nfs/dbraw/zinc/55/04/33/506550433.db2.gz WARMBRBMCNBUHV-PXNSSMCTSA-N 1 2 351.454 3.039 20 30 FGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679443 506575467 /nfs/dbraw/zinc/57/54/67/506575467.db2.gz ZZLCANSLIUGCOX-OAHLLOKOSA-N 1 2 354.475 3.275 20 30 FGEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679443 506575472 /nfs/dbraw/zinc/57/54/72/506575472.db2.gz ZZLCANSLIUGCOX-OAHLLOKOSA-N 1 2 354.475 3.275 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3c(F)cccc3F)C1=O)C2 ZINC000599679672 506577332 /nfs/dbraw/zinc/57/73/32/506577332.db2.gz WUGVJZLYDZEAOB-LJQANCHMSA-N 1 2 367.399 3.194 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3c(F)cccc3F)C1=O)C2 ZINC000599679672 506577336 /nfs/dbraw/zinc/57/73/36/506577336.db2.gz WUGVJZLYDZEAOB-LJQANCHMSA-N 1 2 367.399 3.194 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518587 506577481 /nfs/dbraw/zinc/57/74/81/506577481.db2.gz XTPRHDBRPWPGJC-UHFFFAOYSA-N 1 2 374.393 3.045 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518587 506577489 /nfs/dbraw/zinc/57/74/89/506577489.db2.gz XTPRHDBRPWPGJC-UHFFFAOYSA-N 1 2 374.393 3.045 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685261 506579691 /nfs/dbraw/zinc/57/96/91/506579691.db2.gz CJLMEMRNZRBHBP-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685261 506579698 /nfs/dbraw/zinc/57/96/98/506579698.db2.gz CJLMEMRNZRBHBP-ZDUSSCGKSA-N 1 2 355.388 3.416 20 30 FGEDLO COc1ccc(-c2nnc(C[N@@H+]3CCc4c(CC#N)cccc4C3)o2)cc1 ZINC000599685846 506581040 /nfs/dbraw/zinc/58/10/40/506581040.db2.gz LDCSPONGZIMBDJ-UHFFFAOYSA-N 1 2 360.417 3.370 20 30 FGEDLO COc1ccc(-c2nnc(C[N@H+]3CCc4c(CC#N)cccc4C3)o2)cc1 ZINC000599685846 506581045 /nfs/dbraw/zinc/58/10/45/506581045.db2.gz LDCSPONGZIMBDJ-UHFFFAOYSA-N 1 2 360.417 3.370 20 30 FGEDLO Cc1cccc([C@H](CNc2nc3c(cc2C#N)CCC3)[NH+]2CCOCC2)c1 ZINC000603854004 506635479 /nfs/dbraw/zinc/63/54/79/506635479.db2.gz QXDNZECSSMWQSJ-NRFANRHFSA-N 1 2 362.477 3.236 20 30 FGEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000596988050 506716604 /nfs/dbraw/zinc/71/66/04/506716604.db2.gz QNSQYUMLLBXGOU-UHFFFAOYSA-N 1 2 363.387 3.023 20 30 FGEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000596988050 506716607 /nfs/dbraw/zinc/71/66/07/506716607.db2.gz QNSQYUMLLBXGOU-UHFFFAOYSA-N 1 2 363.387 3.023 20 30 FGEDLO C=C(C)Cn1c(CC)nnc1N1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000583355168 506734394 /nfs/dbraw/zinc/73/43/94/506734394.db2.gz GERTWMQNSLETAL-UHFFFAOYSA-N 1 2 362.481 3.473 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnn3CC3CC3)CC2)c(Cl)c1 ZINC000597117441 506784241 /nfs/dbraw/zinc/78/42/41/506784241.db2.gz POUYWEIYGLXNCO-UHFFFAOYSA-N 1 2 355.873 3.140 20 30 FGEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000604563691 506875063 /nfs/dbraw/zinc/87/50/63/506875063.db2.gz CTJWEVWPVQKESE-UHFFFAOYSA-N 1 2 364.405 3.321 20 30 FGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000594010397 506880067 /nfs/dbraw/zinc/88/00/67/506880067.db2.gz BOGJTHRPYYVDNF-SNVBAGLBSA-N 1 2 358.225 3.000 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026718 506892273 /nfs/dbraw/zinc/89/22/73/506892273.db2.gz NTSPVHFEXHMZLR-UKRRQHHQSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026718 506892278 /nfs/dbraw/zinc/89/22/78/506892278.db2.gz NTSPVHFEXHMZLR-UKRRQHHQSA-N 1 2 373.522 3.469 20 30 FGEDLO CC(C)C[C@H](NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609538329 506912545 /nfs/dbraw/zinc/91/25/45/506912545.db2.gz QHWGLPKQQKLXPE-SFTDATJTSA-N 1 2 370.541 3.056 20 30 FGEDLO C[C@@]1(C#N)CCCN(Cc2cncc(C[N@@H+]3CCC[C@@](C)(C#N)C3)c2)C1 ZINC000590715434 506922546 /nfs/dbraw/zinc/92/25/46/506922546.db2.gz BIEQZOJHBFWGTR-SFTDATJTSA-N 1 2 351.498 3.333 20 30 FGEDLO C[C@@]1(C#N)CCCN(Cc2cncc(C[N@H+]3CCC[C@@](C)(C#N)C3)c2)C1 ZINC000590715434 506922550 /nfs/dbraw/zinc/92/25/50/506922550.db2.gz BIEQZOJHBFWGTR-SFTDATJTSA-N 1 2 351.498 3.333 20 30 FGEDLO N#Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc2ccccc12 ZINC000609891018 507039618 /nfs/dbraw/zinc/03/96/18/507039618.db2.gz AJUQFYLOZSCPOC-NRFANRHFSA-N 1 2 358.445 3.014 20 30 FGEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000583903585 507040530 /nfs/dbraw/zinc/04/05/30/507040530.db2.gz BLDFIBQEMGRNCO-UHFFFAOYSA-N 1 2 360.383 3.290 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1C#N ZINC000591045364 507092054 /nfs/dbraw/zinc/09/20/54/507092054.db2.gz PTDQBBBEILLCJN-TZIWHRDSSA-N 1 2 358.445 3.360 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1C#N ZINC000591045364 507092061 /nfs/dbraw/zinc/09/20/61/507092061.db2.gz PTDQBBBEILLCJN-TZIWHRDSSA-N 1 2 358.445 3.360 20 30 FGEDLO Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000610211244 507139296 /nfs/dbraw/zinc/13/92/96/507139296.db2.gz GWZXMWUYUJWGFO-NRFANRHFSA-N 1 2 372.472 3.322 20 30 FGEDLO Cc1cc(-c2nnc(C[N@H+](C)CCOCc3ccc(C#N)cc3)o2)c(C)o1 ZINC000584136650 507171081 /nfs/dbraw/zinc/17/10/81/507171081.db2.gz KDHHARQXUQFFIR-UHFFFAOYSA-N 1 2 366.421 3.467 20 30 FGEDLO Cc1cc(-c2nnc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)o2)c(C)o1 ZINC000584136650 507171085 /nfs/dbraw/zinc/17/10/85/507171085.db2.gz KDHHARQXUQFFIR-UHFFFAOYSA-N 1 2 366.421 3.467 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NC(C)(C)c1cccc(C#N)c1)C(F)(F)F ZINC000597956954 507198240 /nfs/dbraw/zinc/19/82/40/507198240.db2.gz WVLFOAKUROWJLD-CQSZACIVSA-N 1 2 364.371 3.379 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000613666359 507207824 /nfs/dbraw/zinc/20/78/24/507207824.db2.gz GVZJDKPWSWTWLG-IBGZPJMESA-N 1 2 359.433 3.423 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000613666359 507207827 /nfs/dbraw/zinc/20/78/27/507207827.db2.gz GVZJDKPWSWTWLG-IBGZPJMESA-N 1 2 359.433 3.423 20 30 FGEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601104117 507261597 /nfs/dbraw/zinc/26/15/97/507261597.db2.gz QBQZODMGGNIPCM-UHFFFAOYSA-N 1 2 353.451 3.095 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000591849959 507390156 /nfs/dbraw/zinc/39/01/56/507390156.db2.gz BEMRWYMGUYAQMQ-MRXNPFEDSA-N 1 2 361.449 3.460 20 30 FGEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(O)cc(C#N)c3)n2)CC1 ZINC000614294025 507444035 /nfs/dbraw/zinc/44/40/35/507444035.db2.gz KXOTXPTXKCROAW-UHFFFAOYSA-N 1 2 356.451 3.205 20 30 FGEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610936666 507447854 /nfs/dbraw/zinc/44/78/54/507447854.db2.gz SQHYMFKUWUIHST-QGZVFWFLSA-N 1 2 353.426 3.411 20 30 FGEDLO Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cn21 ZINC000592057848 507468536 /nfs/dbraw/zinc/46/85/36/507468536.db2.gz PTRFQVGSFLARQB-MRXNPFEDSA-N 1 2 361.449 3.460 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@@H](CC)CN1Cc1ccncc1C#N ZINC000592083893 507475673 /nfs/dbraw/zinc/47/56/73/507475673.db2.gz RSTSTEQADVOPLK-SZPZYZBQSA-N 1 2 374.492 3.095 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H](CC)CN1Cc1ccncc1C#N ZINC000592083893 507475679 /nfs/dbraw/zinc/47/56/79/507475679.db2.gz RSTSTEQADVOPLK-SZPZYZBQSA-N 1 2 374.492 3.095 20 30 FGEDLO CC[C@@H]1CN(Cc2ccncc2C#N)[C@@H](CC)C[N@@H+]1Cc1ccncc1C#N ZINC000592083893 507475682 /nfs/dbraw/zinc/47/56/82/507475682.db2.gz RSTSTEQADVOPLK-SZPZYZBQSA-N 1 2 374.492 3.095 20 30 FGEDLO CC[C@@H]1CN(Cc2ccncc2C#N)[C@@H](CC)C[N@H+]1Cc1ccncc1C#N ZINC000592083893 507475687 /nfs/dbraw/zinc/47/56/87/507475687.db2.gz RSTSTEQADVOPLK-SZPZYZBQSA-N 1 2 374.492 3.095 20 30 FGEDLO CC(C)(C)n1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000595426494 507490967 /nfs/dbraw/zinc/49/09/67/507490967.db2.gz JCAFYJUAYFHXRM-LJQANCHMSA-N 1 2 355.461 3.160 20 30 FGEDLO N#CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000595454319 507506097 /nfs/dbraw/zinc/50/60/97/507506097.db2.gz HRMDEWRHERGRCY-KRWDZBQOSA-N 1 2 355.486 3.297 20 30 FGEDLO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)cc2)c1 ZINC000592149649 507510051 /nfs/dbraw/zinc/51/00/51/507510051.db2.gz SWSCYDUVBHRCAP-NRFANRHFSA-N 1 2 365.433 3.076 20 30 FGEDLO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)cc2)c1 ZINC000592149649 507510058 /nfs/dbraw/zinc/51/00/58/507510058.db2.gz SWSCYDUVBHRCAP-NRFANRHFSA-N 1 2 365.433 3.076 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000598603134 507514009 /nfs/dbraw/zinc/51/40/09/507514009.db2.gz XXQAOLNMYTZLGE-ZDUSSCGKSA-N 1 2 355.251 3.247 20 30 FGEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000598603134 507514017 /nfs/dbraw/zinc/51/40/17/507514017.db2.gz XXQAOLNMYTZLGE-ZDUSSCGKSA-N 1 2 355.251 3.247 20 30 FGEDLO COC(=O)c1cccc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c1C#N ZINC000611127379 507527236 /nfs/dbraw/zinc/52/72/36/507527236.db2.gz OKJUPGMDRAGZDX-HXUWFJFHSA-N 1 2 360.417 3.072 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195742 507533057 /nfs/dbraw/zinc/53/30/57/507533057.db2.gz URIZIGCMPNYHSN-KGLIPLIRSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195742 507533067 /nfs/dbraw/zinc/53/30/67/507533067.db2.gz URIZIGCMPNYHSN-KGLIPLIRSA-N 1 2 373.522 3.469 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592193315 507534548 /nfs/dbraw/zinc/53/45/48/507534548.db2.gz LWWPFINLNUZJMU-MSOLQXFVSA-N 1 2 355.482 3.355 20 30 FGEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592193315 507534556 /nfs/dbraw/zinc/53/45/56/507534556.db2.gz LWWPFINLNUZJMU-MSOLQXFVSA-N 1 2 355.482 3.355 20 30 FGEDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173833 507546885 /nfs/dbraw/zinc/54/68/85/507546885.db2.gz MVRSONUBDZEPDM-OAQYLSRUSA-N 1 2 362.477 3.206 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000595610170 507588550 /nfs/dbraw/zinc/58/85/50/507588550.db2.gz SNCHRCXGGUDHNT-GFCCVEGCSA-N 1 2 351.244 3.346 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000595610170 507588552 /nfs/dbraw/zinc/58/85/52/507588552.db2.gz SNCHRCXGGUDHNT-GFCCVEGCSA-N 1 2 351.244 3.346 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595628052 507599320 /nfs/dbraw/zinc/59/93/20/507599320.db2.gz VDUVLHQPOPGJGY-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595628052 507599328 /nfs/dbraw/zinc/59/93/28/507599328.db2.gz VDUVLHQPOPGJGY-KGLIPLIRSA-N 1 2 359.775 3.365 20 30 FGEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000602149759 507607661 /nfs/dbraw/zinc/60/76/61/507607661.db2.gz CBBZCEFMJWNQRB-IBGZPJMESA-N 1 2 369.852 3.111 20 30 FGEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000602149759 507607674 /nfs/dbraw/zinc/60/76/74/507607674.db2.gz CBBZCEFMJWNQRB-IBGZPJMESA-N 1 2 369.852 3.111 20 30 FGEDLO CCc1ccc([C@H](C#N)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602154903 507608759 /nfs/dbraw/zinc/60/87/59/507608759.db2.gz MRSMFSCCPFYGKM-LSDHHAIUSA-N 1 2 350.344 3.320 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595654345 507616477 /nfs/dbraw/zinc/61/64/77/507616477.db2.gz UMFBMAHVWLTRQB-MSOLQXFVSA-N 1 2 351.454 3.039 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)OC[C@@H]2C)c1C ZINC000595673646 507622613 /nfs/dbraw/zinc/62/26/13/507622613.db2.gz FCHCIVUACXMONF-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c1C ZINC000595673646 507622619 /nfs/dbraw/zinc/62/26/19/507622619.db2.gz FCHCIVUACXMONF-KRWDZBQOSA-N 1 2 355.482 3.194 20 30 FGEDLO COC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC)c1 ZINC000595683402 507625323 /nfs/dbraw/zinc/62/53/23/507625323.db2.gz IQVGPNRHRCZZFC-SFHVURJKSA-N 1 2 364.405 3.094 20 30 FGEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000595705896 507640620 /nfs/dbraw/zinc/64/06/20/507640620.db2.gz ZFQCXCSNIOHEFK-UHFFFAOYSA-N 1 2 373.482 3.041 20 30 FGEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000595705896 507640629 /nfs/dbraw/zinc/64/06/29/507640629.db2.gz ZFQCXCSNIOHEFK-UHFFFAOYSA-N 1 2 373.482 3.041 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595714384 507645372 /nfs/dbraw/zinc/64/53/72/507645372.db2.gz UFOZBHQPTQPTAL-CQSZACIVSA-N 1 2 366.490 3.119 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595714384 507645374 /nfs/dbraw/zinc/64/53/74/507645374.db2.gz UFOZBHQPTQPTAL-CQSZACIVSA-N 1 2 366.490 3.119 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832005 507706407 /nfs/dbraw/zinc/70/64/07/507706407.db2.gz OIBKEBBUTQTADM-WMLDXEAASA-N 1 2 353.422 3.248 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000595832005 507706412 /nfs/dbraw/zinc/70/64/12/507706412.db2.gz OIBKEBBUTQTADM-WMLDXEAASA-N 1 2 353.422 3.248 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)n1 ZINC000602486438 507724081 /nfs/dbraw/zinc/72/40/81/507724081.db2.gz QXXWUNLCXKBLHL-GOSISDBHSA-N 1 2 360.417 3.094 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)n1 ZINC000602486438 507724084 /nfs/dbraw/zinc/72/40/84/507724084.db2.gz QXXWUNLCXKBLHL-GOSISDBHSA-N 1 2 360.417 3.094 20 30 FGEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nc(-c3cccs3)no2)cc1 ZINC000174115069 705487682 /nfs/dbraw/zinc/48/76/82/705487682.db2.gz GAJKJTXWNIGWFH-NSHDSACASA-N 1 2 358.423 3.399 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[N@H+](C)C1 ZINC000329115041 713827725 /nfs/dbraw/zinc/82/77/25/713827725.db2.gz HZJPTRAKCCYLCY-YCPHGPKFSA-N 1 2 368.861 3.205 20 30 FGEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[N@@H+](C)C1 ZINC000329115041 713827727 /nfs/dbraw/zinc/82/77/27/713827727.db2.gz HZJPTRAKCCYLCY-YCPHGPKFSA-N 1 2 368.861 3.205 20 30 FGEDLO CCOC(=O)c1ccc(C#N)c(SCc2[nH+]cc(C)c(OC)c2C)n1 ZINC000524031842 714264917 /nfs/dbraw/zinc/26/49/17/714264917.db2.gz UZQOCTDHDUINTO-UHFFFAOYSA-N 1 2 357.435 3.443 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451568 714748522 /nfs/dbraw/zinc/74/85/22/714748522.db2.gz QOTFEVIQEVCCAC-TXEJJXNPSA-N 1 2 360.342 3.474 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618451568 714748523 /nfs/dbraw/zinc/74/85/23/714748523.db2.gz QOTFEVIQEVCCAC-TXEJJXNPSA-N 1 2 360.342 3.474 20 30 FGEDLO C[C@@H]1C[NH+]=C(NN=Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000779801171 724427995 /nfs/dbraw/zinc/42/79/95/724427995.db2.gz QXSXFQOLLHEHDV-GFCCVEGCSA-N 1 2 358.877 3.094 20 30 FGEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3occc3Br)C2=O)cc1 ZINC000780003693 724440522 /nfs/dbraw/zinc/44/05/22/724440522.db2.gz VPZDHUYFHXVPNG-OAHLLOKOSA-N 1 2 374.238 3.199 20 30 FGEDLO COc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000766059764 723553369 /nfs/dbraw/zinc/55/33/69/723553369.db2.gz OJAUKPCJVIHRAK-UHFFFAOYSA-N 1 2 353.737 3.233 20 30 FGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633487020 716943503 /nfs/dbraw/zinc/94/35/03/716943503.db2.gz PNHKWMHLXDRXBI-CALCHBBNSA-N 1 2 358.511 3.027 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2CSc2ccccc2)C[N@@H+]1C1CC1 ZINC000782245811 724643002 /nfs/dbraw/zinc/64/30/02/724643002.db2.gz PYHFCQZHXKGWQR-GFCCVEGCSA-N 1 2 359.524 3.320 20 30 FGEDLO C[C@@H]1CC(=NN2C(=S)N=NC2CSc2ccccc2)C[N@H+]1C1CC1 ZINC000782245811 724643006 /nfs/dbraw/zinc/64/30/06/724643006.db2.gz PYHFCQZHXKGWQR-GFCCVEGCSA-N 1 2 359.524 3.320 20 30 FGEDLO Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783744391 724784869 /nfs/dbraw/zinc/78/48/69/724784869.db2.gz JWQIQSFDBABTTB-HNNXBMFYSA-N 1 2 373.507 3.067 20 30 FGEDLO Cc1sc2ncn(N=Cc3cc(-n4cc[nH+]c4)cs3)c(=O)c2c1C ZINC000783798921 724792044 /nfs/dbraw/zinc/79/20/44/724792044.db2.gz HJSBEFQHAVLZPX-UHFFFAOYSA-N 1 2 355.448 3.204 20 30 FGEDLO C=CC[NH+]1CCN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)CC1 ZINC001165031894 721869198 /nfs/dbraw/zinc/86/91/98/721869198.db2.gz CJZNAWFHJKINGV-UHFFFAOYSA-N 1 2 354.788 3.016 20 30 FGEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001165033988 721873130 /nfs/dbraw/zinc/87/31/30/721873130.db2.gz AXTPTYBSTZAXHY-UHFFFAOYSA-N 1 2 355.829 3.102 20 30 FGEDLO C=CCN(Cc1ccc(Cl)s1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783970948 724809391 /nfs/dbraw/zinc/80/93/91/724809391.db2.gz DETLCKZWAMMNKR-ZDUSSCGKSA-N 1 2 364.902 3.097 20 30 FGEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCSC(C)(C)C)CC1=O ZINC000727501603 722445033 /nfs/dbraw/zinc/44/50/33/722445033.db2.gz VJQYSWGGNDNJIB-UHFFFAOYSA-N 1 2 358.511 3.178 20 30 FGEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000744422989 722576736 /nfs/dbraw/zinc/57/67/36/722576736.db2.gz OMVYZSBLWKMKOJ-UTCJRWHESA-N 1 2 356.775 3.149 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](C)CCc1nccs1 ZINC000753279211 722892430 /nfs/dbraw/zinc/89/24/30/722892430.db2.gz SWTRFEQRWSVKOG-AQTBWJFISA-N 1 2 355.507 3.498 20 30 FGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](C)CCc1nccs1 ZINC000753279211 722892431 /nfs/dbraw/zinc/89/24/31/722892431.db2.gz SWTRFEQRWSVKOG-AQTBWJFISA-N 1 2 355.507 3.498 20 30 FGEDLO Oc1cc(C=NNc2cc[nH+]c3ccccc23)cc(Br)c1O ZINC000757573749 722977098 /nfs/dbraw/zinc/97/70/98/722977098.db2.gz FBODCFHVBAJTLD-UHFFFAOYSA-N 1 2 358.195 3.276 20 30 FGEDLO COc1cc(F)c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1OC ZINC000794704051 723541929 /nfs/dbraw/zinc/54/19/29/723541929.db2.gz WRUGQTFYXDDRGG-WAYWQWQTSA-N 1 2 350.415 3.257 20 30 FGEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000777732459 724253760 /nfs/dbraw/zinc/25/37/60/724253760.db2.gz NNWWXSLTQBYTHY-UHFFFAOYSA-N 1 2 357.841 3.196 20 30 FGEDLO NC(=[NH+]OCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000808263875 725190484 /nfs/dbraw/zinc/19/04/84/725190484.db2.gz IFKUHJCVKNNHSB-UHFFFAOYSA-N 1 2 364.199 3.237 20 30 FGEDLO CCN(CC1CC[NH+](Cc2nc(C#N)cs2)CC1)C(=O)OC(C)(C)C ZINC000811465970 725367514 /nfs/dbraw/zinc/36/75/14/725367514.db2.gz QHZDHBUKMXFRTD-UHFFFAOYSA-N 1 2 364.515 3.484 20 30 FGEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000812000635 725387070 /nfs/dbraw/zinc/38/70/70/725387070.db2.gz CCQVYNZVMUKGFN-CZUORRHYSA-N 1 2 351.853 3.279 20 30 FGEDLO C#CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000830333879 729551008 /nfs/dbraw/zinc/55/10/08/729551008.db2.gz MWYGIVUXYRJCNW-UHFFFAOYSA-N 1 2 355.663 3.386 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877502284 736673566 /nfs/dbraw/zinc/67/35/66/736673566.db2.gz DTRBQVXRVWMBMU-GOSISDBHSA-N 1 2 364.877 3.343 20 30 FGEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877502284 736673570 /nfs/dbraw/zinc/67/35/70/736673570.db2.gz DTRBQVXRVWMBMU-GOSISDBHSA-N 1 2 364.877 3.343 20 30 FGEDLO C[NH+]1CCC(C#N)(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843572020 730632134 /nfs/dbraw/zinc/63/21/34/730632134.db2.gz BJLBZQLZTZOYTH-UHFFFAOYSA-N 1 2 362.207 3.189 20 30 FGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000847997100 731119008 /nfs/dbraw/zinc/11/90/08/731119008.db2.gz WMGPJGHLSKGWEV-HNNXBMFYSA-N 1 2 359.426 3.419 20 30 FGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000847997100 731119014 /nfs/dbraw/zinc/11/90/14/731119014.db2.gz WMGPJGHLSKGWEV-HNNXBMFYSA-N 1 2 359.426 3.419 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1F ZINC000852739492 731628135 /nfs/dbraw/zinc/62/81/35/731628135.db2.gz ZHIOQJOWXNAZMH-GDBMZVCRSA-N 1 2 351.397 3.134 20 30 FGEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1F ZINC000852739492 731628136 /nfs/dbraw/zinc/62/81/36/731628136.db2.gz ZHIOQJOWXNAZMH-GDBMZVCRSA-N 1 2 351.397 3.134 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000852773619 731633793 /nfs/dbraw/zinc/63/37/93/731633793.db2.gz BPMAOEHGLNQVJK-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000852773619 731633795 /nfs/dbraw/zinc/63/37/95/731633795.db2.gz BPMAOEHGLNQVJK-ZDUSSCGKSA-N 1 2 359.426 3.320 20 30 FGEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000853096270 731664685 /nfs/dbraw/zinc/66/46/85/731664685.db2.gz VHWSTAQEYDZTSJ-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)cn1 ZINC000862422205 732830902 /nfs/dbraw/zinc/83/09/02/732830902.db2.gz VKAQCLIMQYJPRS-UHFFFAOYSA-N 1 2 367.503 3.460 20 30 FGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(F)c(Br)cc1F ZINC000863127383 732916928 /nfs/dbraw/zinc/91/69/28/732916928.db2.gz ZQVMCGZWIXEGLO-UHFFFAOYSA-N 1 2 357.202 3.328 20 30 FGEDLO N#CCc1cccc2c1CC[N@@H+](Cn1c(=O)oc3cc(Cl)ccc31)C2 ZINC000863337049 732947592 /nfs/dbraw/zinc/94/75/92/732947592.db2.gz YYRHEHHEEDQYSH-UHFFFAOYSA-N 1 2 353.809 3.330 20 30 FGEDLO N#CCc1cccc2c1CC[N@H+](Cn1c(=O)oc3cc(Cl)ccc31)C2 ZINC000863337049 732947593 /nfs/dbraw/zinc/94/75/93/732947593.db2.gz YYRHEHHEEDQYSH-UHFFFAOYSA-N 1 2 353.809 3.330 20 30 FGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000876550137 736112521 /nfs/dbraw/zinc/11/25/21/736112521.db2.gz QCQMUGRXBKQHDF-UHFFFAOYSA-N 1 2 354.841 3.457 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318551 737153923 /nfs/dbraw/zinc/15/39/23/737153923.db2.gz HNLXUCBRXSXDAQ-RYUDHWBXSA-N 1 2 372.519 3.381 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880318551 737153925 /nfs/dbraw/zinc/15/39/25/737153925.db2.gz HNLXUCBRXSXDAQ-RYUDHWBXSA-N 1 2 372.519 3.381 20 30 FGEDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c[nH+]1 ZINC000897663850 742700742 /nfs/dbraw/zinc/70/07/42/742700742.db2.gz NWFBJAZBXNVPHV-UHFFFAOYSA-N 1 2 352.316 3.336 20 30 FGEDLO Nc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c[nH+]1 ZINC000899361347 742911382 /nfs/dbraw/zinc/91/13/82/742911382.db2.gz UJVYDNZSJQAYSK-VZUCSPMQSA-N 1 2 356.447 3.276 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000903690679 743875330 /nfs/dbraw/zinc/87/53/30/743875330.db2.gz NWJLRBFQOZVNCM-UHFFFAOYSA-N 1 2 355.463 3.072 20 30 FGEDLO C[C@H]1CN(c2ccccc2C=[NH+]NC(=S)NC2CCCCC2)CCO1 ZINC000915943163 758008098 /nfs/dbraw/zinc/00/80/98/758008098.db2.gz VTGLTVXFMBFJTK-HNNXBMFYSA-N 1 2 360.527 3.042 20 30 FGEDLO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cccc(C#N)c1O ZINC000924721769 759376327 /nfs/dbraw/zinc/37/63/27/759376327.db2.gz OVUGCACHVOPQPV-SFHVURJKSA-N 1 2 358.463 3.049 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932810709 761249593 /nfs/dbraw/zinc/24/95/93/761249593.db2.gz DCOFYBHAVOKJBL-WMLDXEAASA-N 1 2 362.271 3.176 20 30 FGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932810709 761249597 /nfs/dbraw/zinc/24/95/97/761249597.db2.gz DCOFYBHAVOKJBL-WMLDXEAASA-N 1 2 362.271 3.176 20 30 FGEDLO FC1(F)[C@H]2C[NH+](Cc3ccno3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932948056 761283431 /nfs/dbraw/zinc/28/34/31/761283431.db2.gz JCUDFPQKFVEBGU-YUMQZZPRSA-N 1 2 350.209 3.277 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336576 761601825 /nfs/dbraw/zinc/60/18/25/761601825.db2.gz RMWMSNMRGMQQLL-JSGCOSHPSA-N 1 2 358.467 3.116 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Cc3nccs3)C2)c(C#N)c1C ZINC000934336576 761601831 /nfs/dbraw/zinc/60/18/31/761601831.db2.gz RMWMSNMRGMQQLL-JSGCOSHPSA-N 1 2 358.467 3.116 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)C1 ZINC000972372098 762959433 /nfs/dbraw/zinc/95/94/33/762959433.db2.gz CPMGVIJQJRFLFM-LBTNJELSSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)C1 ZINC000972372098 762959437 /nfs/dbraw/zinc/95/94/37/762959437.db2.gz CPMGVIJQJRFLFM-LBTNJELSSA-N 1 2 366.864 3.103 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001001932321 765306699 /nfs/dbraw/zinc/30/66/99/765306699.db2.gz YLFBWWSDMRPJNZ-RPZAIAHZSA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001003650469 765391415 /nfs/dbraw/zinc/39/14/15/765391415.db2.gz WLGCABZFSMOZAG-AEFFLSMTSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001015829692 765811556 /nfs/dbraw/zinc/81/15/56/765811556.db2.gz ZIIQNPRFGYUQHK-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001015829692 765811563 /nfs/dbraw/zinc/81/15/63/765811563.db2.gz ZIIQNPRFGYUQHK-VKJFTORMSA-N 1 2 366.864 3.151 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001023643426 766046651 /nfs/dbraw/zinc/04/66/51/766046651.db2.gz YBQCWTDOFXEJHO-ULCGPLCISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001023643426 766046659 /nfs/dbraw/zinc/04/66/59/766046659.db2.gz YBQCWTDOFXEJHO-ULCGPLCISA-N 1 2 361.313 3.115 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001029480967 766147749 /nfs/dbraw/zinc/14/77/49/766147749.db2.gz TVHHDCSFMYDJKA-HCXYKTFWSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001029480967 766147755 /nfs/dbraw/zinc/14/77/55/766147755.db2.gz TVHHDCSFMYDJKA-HCXYKTFWSA-N 1 2 360.885 3.106 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(Cl)ccc2Cl)C1 ZINC001031987029 766189321 /nfs/dbraw/zinc/18/93/21/766189321.db2.gz QBDZSSKQHJVSKP-WBVHZDCISA-N 1 2 369.292 3.133 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001032046860 766194961 /nfs/dbraw/zinc/19/49/61/766194961.db2.gz FVMZQKBSAZUCJK-WMZOPIPTSA-N 1 2 366.864 3.008 20 30 FGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034320752 766237382 /nfs/dbraw/zinc/23/73/82/766237382.db2.gz OCJWDUYFMINVMT-XHSDSOJGSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034320752 766237383 /nfs/dbraw/zinc/23/73/83/766237383.db2.gz OCJWDUYFMINVMT-XHSDSOJGSA-N 1 2 355.320 3.302 20 30 FGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001055620130 767302525 /nfs/dbraw/zinc/30/25/25/767302525.db2.gz BJMPIEBSYBTBOS-IOASZLSFSA-N 1 2 356.392 3.189 20 30 FGEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1C ZINC000016484475 132373860 /nfs/dbraw/zinc/37/38/60/132373860.db2.gz YOGAYZONSFZBGQ-LJQANCHMSA-N 1 2 368.525 3.157 20 30 FGEDLO CCOc1cccc(Cl)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000567910711 505573502 /nfs/dbraw/zinc/57/35/02/505573502.db2.gz GZUNOXLNLXUSGT-UHFFFAOYSA-N 1 2 356.857 3.328 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000579640271 505592593 /nfs/dbraw/zinc/59/25/93/505592593.db2.gz RUUHNZPHZMNZQD-MRXNPFEDSA-N 1 2 367.449 3.372 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCCc2occc2C1 ZINC000579640271 505592596 /nfs/dbraw/zinc/59/25/96/505592596.db2.gz RUUHNZPHZMNZQD-MRXNPFEDSA-N 1 2 367.449 3.372 20 30 FGEDLO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057827047 493804886 /nfs/dbraw/zinc/80/48/86/493804886.db2.gz FVBZZNUCZQFCCM-UHFFFAOYSA-N 1 2 370.460 3.435 20 30 FGEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057877245 493811455 /nfs/dbraw/zinc/81/14/55/493811455.db2.gz CIAGFRWQJSXNRQ-INIZCTEOSA-N 1 2 351.454 3.052 20 30 FGEDLO C=CCN(CCc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000068403612 493812960 /nfs/dbraw/zinc/81/29/60/493812960.db2.gz TZNGEJWMRRWFRE-UHFFFAOYSA-N 1 2 364.493 3.491 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152803 493832822 /nfs/dbraw/zinc/83/28/22/493832822.db2.gz ZHQOVFXLPCBRBA-FCHUYYIVSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152803 493832828 /nfs/dbraw/zinc/83/28/28/493832828.db2.gz ZHQOVFXLPCBRBA-FCHUYYIVSA-N 1 2 361.489 3.426 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000081158971 493840065 /nfs/dbraw/zinc/84/00/65/493840065.db2.gz GIDRRUDTVHPQRV-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081158971 493840067 /nfs/dbraw/zinc/84/00/67/493840067.db2.gz GIDRRUDTVHPQRV-UHFFFAOYSA-N 1 2 367.409 3.043 20 30 FGEDLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000081300878 493865014 /nfs/dbraw/zinc/86/50/14/493865014.db2.gz NHVJRMMDBHZVGZ-OAHLLOKOSA-N 1 2 357.458 3.078 20 30 FGEDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000081300878 493865017 /nfs/dbraw/zinc/86/50/17/493865017.db2.gz NHVJRMMDBHZVGZ-OAHLLOKOSA-N 1 2 357.458 3.078 20 30 FGEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030201316 493879831 /nfs/dbraw/zinc/87/98/31/493879831.db2.gz JIEVGINZRBXMDZ-UHFFFAOYSA-N 1 2 357.255 3.038 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)o1 ZINC000030214524 493880309 /nfs/dbraw/zinc/88/03/09/493880309.db2.gz GIEGNYVIMZSFBV-NSHDSACASA-N 1 2 362.227 3.373 20 30 FGEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214524 493880312 /nfs/dbraw/zinc/88/03/12/493880312.db2.gz GIEGNYVIMZSFBV-NSHDSACASA-N 1 2 362.227 3.373 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(OC)cc1 ZINC000059423172 493906496 /nfs/dbraw/zinc/90/64/96/493906496.db2.gz JDQWRXYUDFAJMA-UHFFFAOYSA-N 1 2 368.462 3.327 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(OC)cc1 ZINC000059423172 493906502 /nfs/dbraw/zinc/90/65/02/493906502.db2.gz JDQWRXYUDFAJMA-UHFFFAOYSA-N 1 2 368.462 3.327 20 30 FGEDLO COCC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069071904 493916050 /nfs/dbraw/zinc/91/60/50/493916050.db2.gz FWBVSTWVVQUNFR-YLJYHZDGSA-N 1 2 357.498 3.044 20 30 FGEDLO COCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069071904 493916053 /nfs/dbraw/zinc/91/60/53/493916053.db2.gz FWBVSTWVVQUNFR-YLJYHZDGSA-N 1 2 357.498 3.044 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000032533986 493995772 /nfs/dbraw/zinc/99/57/72/493995772.db2.gz RZDDOLCUTFRAKW-UHFFFAOYSA-N 1 2 356.813 3.442 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000083170696 494002876 /nfs/dbraw/zinc/00/28/76/494002876.db2.gz YVTKDVYTJLIDLS-HXUWFJFHSA-N 1 2 350.418 3.229 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000083170696 494002878 /nfs/dbraw/zinc/00/28/78/494002878.db2.gz YVTKDVYTJLIDLS-HXUWFJFHSA-N 1 2 350.418 3.229 20 30 FGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000083216516 494008596 /nfs/dbraw/zinc/00/85/96/494008596.db2.gz JGYQIAZFAFVOHE-LJQANCHMSA-N 1 2 367.474 3.424 20 30 FGEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000062484778 494014358 /nfs/dbraw/zinc/01/43/58/494014358.db2.gz IQKYSSSFNHVWKO-UHFFFAOYSA-N 1 2 366.440 3.166 20 30 FGEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000053153941 494099347 /nfs/dbraw/zinc/09/93/47/494099347.db2.gz HGZIHGPCIOEHTG-JTQLQIEISA-N 1 2 360.508 3.332 20 30 FGEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000053153941 494099350 /nfs/dbraw/zinc/09/93/50/494099350.db2.gz HGZIHGPCIOEHTG-JTQLQIEISA-N 1 2 360.508 3.332 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053154092 494099634 /nfs/dbraw/zinc/09/96/34/494099634.db2.gz VDDMWYRWURFESS-AWEZNQCLSA-N 1 2 372.494 3.227 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053154092 494099638 /nfs/dbraw/zinc/09/96/38/494099638.db2.gz VDDMWYRWURFESS-AWEZNQCLSA-N 1 2 372.494 3.227 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000064115110 494104870 /nfs/dbraw/zinc/10/48/70/494104870.db2.gz LKWRXIQJRQIMNI-UHFFFAOYSA-N 1 2 351.841 3.182 20 30 FGEDLO CC[N@@H+](CC(=O)NCc1ccccc1COc1ccccc1)C[C@H](C)C#N ZINC000064249185 494109249 /nfs/dbraw/zinc/10/92/49/494109249.db2.gz MTIWLQIHBHAOJF-GOSISDBHSA-N 1 2 365.477 3.363 20 30 FGEDLO CC[N@H+](CC(=O)NCc1ccccc1COc1ccccc1)C[C@H](C)C#N ZINC000064249185 494109252 /nfs/dbraw/zinc/10/92/52/494109252.db2.gz MTIWLQIHBHAOJF-GOSISDBHSA-N 1 2 365.477 3.363 20 30 FGEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000053695468 494159836 /nfs/dbraw/zinc/15/98/36/494159836.db2.gz HFFHAUAHMREJQC-UHFFFAOYSA-N 1 2 372.490 3.280 20 30 FGEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000065431393 494196733 /nfs/dbraw/zinc/19/67/33/494196733.db2.gz INEJKMCXQCWQLM-UHFFFAOYSA-N 1 2 363.852 3.477 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(OC)cc1 ZINC000054272087 494214578 /nfs/dbraw/zinc/21/45/78/494214578.db2.gz UQEKKKRRHJOPMP-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(OC)cc1 ZINC000054272087 494214583 /nfs/dbraw/zinc/21/45/83/494214583.db2.gz UQEKKKRRHJOPMP-UHFFFAOYSA-N 1 2 368.433 3.109 20 30 FGEDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054676300 494260043 /nfs/dbraw/zinc/26/00/43/494260043.db2.gz QVSXQIBPLSXIJF-FZMZJTMJSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000054676300 494260048 /nfs/dbraw/zinc/26/00/48/494260048.db2.gz QVSXQIBPLSXIJF-FZMZJTMJSA-N 1 2 373.844 3.110 20 30 FGEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)c2nc(-c3ccccc3C)no2)cs1 ZINC000072920063 494284102 /nfs/dbraw/zinc/28/41/02/494284102.db2.gz VFXZRVZGVNWLGX-LLVKDONJSA-N 1 2 357.439 3.402 20 30 FGEDLO C=CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1cccs1 ZINC000073153642 494329906 /nfs/dbraw/zinc/32/99/06/494329906.db2.gz AVOQUYKLFJTXBY-UHFFFAOYSA-N 1 2 358.463 3.186 20 30 FGEDLO C=CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1cccs1 ZINC000073153642 494329908 /nfs/dbraw/zinc/32/99/08/494329908.db2.gz AVOQUYKLFJTXBY-UHFFFAOYSA-N 1 2 358.463 3.186 20 30 FGEDLO C=CC[N@@H+](CCOc1ccc(C(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560995 494355239 /nfs/dbraw/zinc/35/52/39/494355239.db2.gz QOCNRLJKUMNTOK-KRWDZBQOSA-N 1 2 351.512 3.172 20 30 FGEDLO C=CC[N@H+](CCOc1ccc(C(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560995 494355240 /nfs/dbraw/zinc/35/52/40/494355240.db2.gz QOCNRLJKUMNTOK-KRWDZBQOSA-N 1 2 351.512 3.172 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847412 494422658 /nfs/dbraw/zinc/42/26/58/494422658.db2.gz WHTJNXZRKYIFOD-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847412 494422662 /nfs/dbraw/zinc/42/26/62/494422662.db2.gz WHTJNXZRKYIFOD-LJQANCHMSA-N 1 2 353.397 3.099 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000073872530 494440423 /nfs/dbraw/zinc/44/04/23/494440423.db2.gz ZTPNEWMXPGTJEJ-AWEZNQCLSA-N 1 2 351.878 3.023 20 30 FGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000073872530 494440428 /nfs/dbraw/zinc/44/04/28/494440428.db2.gz ZTPNEWMXPGTJEJ-AWEZNQCLSA-N 1 2 351.878 3.023 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000574216548 505722399 /nfs/dbraw/zinc/72/23/99/505722399.db2.gz JKYMOCYIJNQIMS-OAHLLOKOSA-N 1 2 352.438 3.041 20 30 FGEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000574216548 505722403 /nfs/dbraw/zinc/72/24/03/505722403.db2.gz JKYMOCYIJNQIMS-OAHLLOKOSA-N 1 2 352.438 3.041 20 30 FGEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528831 494536271 /nfs/dbraw/zinc/53/62/71/494536271.db2.gz MHOJSDTXIXTBPN-CQSZACIVSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528831 494536277 /nfs/dbraw/zinc/53/62/77/494536277.db2.gz MHOJSDTXIXTBPN-CQSZACIVSA-N 1 2 359.437 3.262 20 30 FGEDLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000067646111 494594808 /nfs/dbraw/zinc/59/48/08/494594808.db2.gz WKYOOYUVANQXCO-CQSZACIVSA-N 1 2 363.396 3.443 20 30 FGEDLO Cc1[nH]c2ccccc2c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000024478565 494634719 /nfs/dbraw/zinc/63/47/19/494634719.db2.gz SPBPIKIXBJNUFZ-UHFFFAOYSA-N 1 2 372.472 3.235 20 30 FGEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2cccc(C#N)c2)c1C ZINC000074918593 494647120 /nfs/dbraw/zinc/64/71/20/494647120.db2.gz TVJQXDSOSTZIOC-OAHLLOKOSA-N 1 2 352.438 3.481 20 30 FGEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000121213528 494650055 /nfs/dbraw/zinc/65/00/55/494650055.db2.gz WIRQDLNWCRADHS-LJQANCHMSA-N 1 2 350.462 3.396 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000126227271 494679864 /nfs/dbraw/zinc/67/98/64/494679864.db2.gz YYXCWPCDXWBUQQ-BQYQJAHWSA-N 1 2 361.445 3.351 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)[nH+]c12 ZINC000075299650 494723108 /nfs/dbraw/zinc/72/31/08/494723108.db2.gz JZFRRUDFVIIOHV-UXHICEINSA-N 1 2 358.445 3.484 20 30 FGEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)[nH+]c12 ZINC000075299647 494723324 /nfs/dbraw/zinc/72/33/24/494723324.db2.gz JZFRRUDFVIIOHV-VQTJNVASSA-N 1 2 358.445 3.484 20 30 FGEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)cc1 ZINC000091975740 494740201 /nfs/dbraw/zinc/74/02/01/494740201.db2.gz FDEGSVYWAIJJMK-UHFFFAOYSA-N 1 2 361.405 3.376 20 30 FGEDLO CCC[C@@H](C#N)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000092006049 494750126 /nfs/dbraw/zinc/75/01/26/494750126.db2.gz CPRJTOMPVQFPHP-HOTGVXAUSA-N 1 2 364.287 3.394 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N(C)C[C@H](C)C#N)cn2c1 ZINC000068081442 494754795 /nfs/dbraw/zinc/75/47/95/494754795.db2.gz DQUMNSSZNLXOAO-MRXNPFEDSA-N 1 2 362.433 3.453 20 30 FGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000121454520 494763887 /nfs/dbraw/zinc/76/38/87/494763887.db2.gz WMBGORIPRVJHIW-NRFANRHFSA-N 1 2 360.417 3.356 20 30 FGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000121454520 494763892 /nfs/dbraw/zinc/76/38/92/494763892.db2.gz WMBGORIPRVJHIW-NRFANRHFSA-N 1 2 360.417 3.356 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)c[nH+]2)CC1 ZINC000121478435 494775256 /nfs/dbraw/zinc/77/52/56/494775256.db2.gz VCZNJGOLVSBFSL-UHFFFAOYSA-N 1 2 370.403 3.398 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000025933925 494791350 /nfs/dbraw/zinc/79/13/50/494791350.db2.gz XYFBNZOSMCFIOH-UHFFFAOYSA-N 1 2 372.472 3.430 20 30 FGEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000025933925 494791352 /nfs/dbraw/zinc/79/13/52/494791352.db2.gz XYFBNZOSMCFIOH-UHFFFAOYSA-N 1 2 372.472 3.430 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)ccc1F ZINC000121557249 494802626 /nfs/dbraw/zinc/80/26/26/494802626.db2.gz PARDLXRTFVXNKD-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)ccc1F ZINC000121557249 494802631 /nfs/dbraw/zinc/80/26/31/494802631.db2.gz PARDLXRTFVXNKD-UHFFFAOYSA-N 1 2 351.381 3.212 20 30 FGEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000126697044 494821716 /nfs/dbraw/zinc/82/17/16/494821716.db2.gz CTCKWECSJVWNDM-RTBURBONSA-N 1 2 369.852 3.013 20 30 FGEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000126697044 494821722 /nfs/dbraw/zinc/82/17/22/494821722.db2.gz CTCKWECSJVWNDM-RTBURBONSA-N 1 2 369.852 3.013 20 30 FGEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000109133507 494836496 /nfs/dbraw/zinc/83/64/96/494836496.db2.gz XLCQPIRVJTZSNZ-FQEVSTJZSA-N 1 2 366.486 3.400 20 30 FGEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000109133507 494836502 /nfs/dbraw/zinc/83/65/02/494836502.db2.gz XLCQPIRVJTZSNZ-FQEVSTJZSA-N 1 2 366.486 3.400 20 30 FGEDLO C=CCc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc(OC)c1O ZINC000093365392 494879018 /nfs/dbraw/zinc/87/90/18/494879018.db2.gz SYNAOKJRWWBNGO-UHFFFAOYSA-N 1 2 366.421 3.206 20 30 FGEDLO C=CCc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc(OC)c1O ZINC000093365392 494879023 /nfs/dbraw/zinc/87/90/23/494879023.db2.gz SYNAOKJRWWBNGO-UHFFFAOYSA-N 1 2 366.421 3.206 20 30 FGEDLO Cc1cccn2cc(CNC(=O)[C@H](Oc3ccccc3C#N)C(C)C)[nH+]c12 ZINC000110799963 495010361 /nfs/dbraw/zinc/01/03/61/495010361.db2.gz ZYAJUECIOJOFBJ-LJQANCHMSA-N 1 2 362.433 3.234 20 30 FGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000101554546 495076186 /nfs/dbraw/zinc/07/61/86/495076186.db2.gz SUZZAUPUNKJFLL-SFHVURJKSA-N 1 2 362.477 3.324 20 30 FGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554678 495076196 /nfs/dbraw/zinc/07/61/96/495076196.db2.gz AMYCADADKLYMLU-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000103141533 495198491 /nfs/dbraw/zinc/19/84/91/495198491.db2.gz YWRGIJJHNKQWRR-UHFFFAOYSA-N 1 2 363.436 3.499 20 30 FGEDLO C=CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(OC)cc1 ZINC000124016707 495221243 /nfs/dbraw/zinc/22/12/43/495221243.db2.gz RCCVBLKCOGOMGJ-UHFFFAOYSA-N 1 2 357.479 3.267 20 30 FGEDLO C=CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(OC)cc1 ZINC000124016707 495221246 /nfs/dbraw/zinc/22/12/46/495221246.db2.gz RCCVBLKCOGOMGJ-UHFFFAOYSA-N 1 2 357.479 3.267 20 30 FGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125085271 495388429 /nfs/dbraw/zinc/38/84/29/495388429.db2.gz SBMNFZJMESSREN-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125085271 495388432 /nfs/dbraw/zinc/38/84/32/495388432.db2.gz SBMNFZJMESSREN-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C#N)c1C ZINC000106370199 495449780 /nfs/dbraw/zinc/44/97/80/495449780.db2.gz MQBLDIMNRYLQQP-ZDUSSCGKSA-N 1 2 369.469 3.010 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120761566 495452897 /nfs/dbraw/zinc/45/28/97/495452897.db2.gz VHJWFNKVOYQKSV-IFXJQAMLSA-N 1 2 358.463 3.469 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120761566 495452903 /nfs/dbraw/zinc/45/29/03/495452903.db2.gz VHJWFNKVOYQKSV-IFXJQAMLSA-N 1 2 358.463 3.469 20 30 FGEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000140444168 495495458 /nfs/dbraw/zinc/49/54/58/495495458.db2.gz UUBQUTDZOLQXDF-QGZVFWFLSA-N 1 2 367.493 3.312 20 30 FGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000121034573 495508643 /nfs/dbraw/zinc/50/86/43/495508643.db2.gz QTAZETAZFYMTLM-HNNXBMFYSA-N 1 2 361.515 3.224 20 30 FGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000121034573 495508645 /nfs/dbraw/zinc/50/86/45/495508645.db2.gz QTAZETAZFYMTLM-HNNXBMFYSA-N 1 2 361.515 3.224 20 30 FGEDLO Cc1oc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000115557079 495516880 /nfs/dbraw/zinc/51/68/80/495516880.db2.gz RYUFWIMAAOFBRO-UHFFFAOYSA-N 1 2 371.412 3.389 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000158535381 495532220 /nfs/dbraw/zinc/53/22/20/495532220.db2.gz OWEYTYGPJSLQGD-HNNXBMFYSA-N 1 2 363.446 3.003 20 30 FGEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000176214175 495549695 /nfs/dbraw/zinc/54/96/95/495549695.db2.gz ZIEDSXUFDYUAHT-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000176214175 495549698 /nfs/dbraw/zinc/54/96/98/495549698.db2.gz ZIEDSXUFDYUAHT-UHFFFAOYSA-N 1 2 370.474 3.029 20 30 FGEDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000182528623 495600304 /nfs/dbraw/zinc/60/03/04/495600304.db2.gz IQIPRQBBFRSCEG-ZDUSSCGKSA-N 1 2 361.405 3.417 20 30 FGEDLO N#Cc1cccc(OCCC[N@H+]2CCOC[C@@H]2CC(=O)c2cccs2)c1 ZINC000154405752 495607007 /nfs/dbraw/zinc/60/70/07/495607007.db2.gz VYMXQFHOACDXKB-KRWDZBQOSA-N 1 2 370.474 3.362 20 30 FGEDLO N#Cc1cccc(OCCC[N@@H+]2CCOC[C@@H]2CC(=O)c2cccs2)c1 ZINC000154405752 495607013 /nfs/dbraw/zinc/60/70/13/495607013.db2.gz VYMXQFHOACDXKB-KRWDZBQOSA-N 1 2 370.474 3.362 20 30 FGEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185795586 495728489 /nfs/dbraw/zinc/72/84/89/495728489.db2.gz PMBPHUUMAZAIFP-LJQANCHMSA-N 1 2 354.475 3.169 20 30 FGEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185795586 495728495 /nfs/dbraw/zinc/72/84/95/495728495.db2.gz PMBPHUUMAZAIFP-LJQANCHMSA-N 1 2 354.475 3.169 20 30 FGEDLO COCC1=CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000185827601 495740703 /nfs/dbraw/zinc/74/07/03/495740703.db2.gz BGVURDSASQPVLG-HNNXBMFYSA-N 1 2 359.495 3.298 20 30 FGEDLO COCC1=CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000185827601 495740704 /nfs/dbraw/zinc/74/07/04/495740704.db2.gz BGVURDSASQPVLG-HNNXBMFYSA-N 1 2 359.495 3.298 20 30 FGEDLO Cc1sc(NC(=O)C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(C#N)c1C ZINC000179810377 495744152 /nfs/dbraw/zinc/74/41/52/495744152.db2.gz QXRZOWCUXJHJMO-OAHLLOKOSA-N 1 2 373.482 3.422 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159660118 495780884 /nfs/dbraw/zinc/78/08/84/495780884.db2.gz HZFAONSRBQVGLA-KSFYIVLOSA-N 1 2 361.445 3.059 20 30 FGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159660118 495780891 /nfs/dbraw/zinc/78/08/91/495780891.db2.gz HZFAONSRBQVGLA-KSFYIVLOSA-N 1 2 361.445 3.059 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)CC1 ZINC000179939000 495792863 /nfs/dbraw/zinc/79/28/63/495792863.db2.gz DLFSUNFRHVHZMJ-UHFFFAOYSA-N 1 2 374.488 3.241 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)s1 ZINC000180037583 495833198 /nfs/dbraw/zinc/83/31/98/495833198.db2.gz WVNOLFTYTQJSFV-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO N#Cc1csc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000180037787 495833004 /nfs/dbraw/zinc/83/30/04/495833004.db2.gz KSMPZTDTJNJVNC-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1C#N ZINC000174259645 495885625 /nfs/dbraw/zinc/88/56/25/495885625.db2.gz OUCOXXSJPVSERB-IBGZPJMESA-N 1 2 350.397 3.319 20 30 FGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000155298331 495910747 /nfs/dbraw/zinc/91/07/47/495910747.db2.gz DYFCPIYOLRDEAX-IUODEOHRSA-N 1 2 355.360 3.172 20 30 FGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000155298331 495910754 /nfs/dbraw/zinc/91/07/54/495910754.db2.gz DYFCPIYOLRDEAX-IUODEOHRSA-N 1 2 355.360 3.172 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2C)ccc1Cl ZINC000177101286 495926755 /nfs/dbraw/zinc/92/67/55/495926755.db2.gz WFEOCTZNQLAOKD-AWEZNQCLSA-N 1 2 351.903 3.332 20 30 FGEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2C)ccc1Cl ZINC000177101286 495926763 /nfs/dbraw/zinc/92/67/63/495926763.db2.gz WFEOCTZNQLAOKD-AWEZNQCLSA-N 1 2 351.903 3.332 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000186291570 495931697 /nfs/dbraw/zinc/93/16/97/495931697.db2.gz CLKSEGLFXHUORK-GCJKJVERSA-N 1 2 374.488 3.042 20 30 FGEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000171586247 495936882 /nfs/dbraw/zinc/93/68/82/495936882.db2.gz VVZLXWFLOZGIPR-KRWDZBQOSA-N 1 2 355.482 3.374 20 30 FGEDLO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H](c3nccs3)c3ccccc3)C2=O)cc1 ZINC000177192082 495969458 /nfs/dbraw/zinc/96/94/58/495969458.db2.gz UDHIFHWPYZJCMW-RTBURBONSA-N 1 2 374.469 3.499 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000155534769 495986908 /nfs/dbraw/zinc/98/69/08/495986908.db2.gz PUWOSIXJMHCFJG-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000155534769 495986911 /nfs/dbraw/zinc/98/69/11/495986911.db2.gz PUWOSIXJMHCFJG-LBPRGKRZSA-N 1 2 362.264 3.366 20 30 FGEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccccc2F)c(C#N)c1C ZINC000177237968 495987936 /nfs/dbraw/zinc/98/79/36/495987936.db2.gz CYFXWZROPBRPEP-UHFFFAOYSA-N 1 2 361.442 3.325 20 30 FGEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2F)c(C#N)c1C ZINC000177237968 495987940 /nfs/dbraw/zinc/98/79/40/495987940.db2.gz CYFXWZROPBRPEP-UHFFFAOYSA-N 1 2 361.442 3.325 20 30 FGEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000160559883 495991794 /nfs/dbraw/zinc/99/17/94/495991794.db2.gz QFAXWIGFZXMMDY-UHFFFAOYSA-N 1 2 369.852 3.178 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1F ZINC000160752655 496035665 /nfs/dbraw/zinc/03/56/65/496035665.db2.gz YPRHHHPONNQAES-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1F ZINC000160752655 496035669 /nfs/dbraw/zinc/03/56/69/496035669.db2.gz YPRHHHPONNQAES-UHFFFAOYSA-N 1 2 355.388 3.185 20 30 FGEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(C#N)cs2)c2nccn2C)c1 ZINC000177683908 496158750 /nfs/dbraw/zinc/15/87/50/496158750.db2.gz JLNJTQWGGMEKKG-SFHVURJKSA-N 1 2 368.462 3.250 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177789454 496196351 /nfs/dbraw/zinc/19/63/51/496196351.db2.gz SSWMTADJLMBMIZ-AWEZNQCLSA-N 1 2 360.527 3.185 20 30 FGEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177789454 496196355 /nfs/dbraw/zinc/19/63/55/496196355.db2.gz SSWMTADJLMBMIZ-AWEZNQCLSA-N 1 2 360.527 3.185 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926237 496254272 /nfs/dbraw/zinc/25/42/72/496254272.db2.gz ICKRAHPBYWWVJZ-UHFFFAOYSA-N 1 2 369.494 3.211 20 30 FGEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000177926237 496254275 /nfs/dbraw/zinc/25/42/75/496254275.db2.gz ICKRAHPBYWWVJZ-UHFFFAOYSA-N 1 2 369.494 3.211 20 30 FGEDLO CCCC(C#N)(CCC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178118134 496336314 /nfs/dbraw/zinc/33/63/14/496336314.db2.gz WGQPUPMJUPHSGE-UHFFFAOYSA-N 1 2 355.398 3.373 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000569055079 505839526 /nfs/dbraw/zinc/83/95/26/505839526.db2.gz YYFHEOKHFUXRDW-FUHWJXTLSA-N 1 2 350.422 3.142 20 30 FGEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000569055079 505839527 /nfs/dbraw/zinc/83/95/27/505839527.db2.gz YYFHEOKHFUXRDW-FUHWJXTLSA-N 1 2 350.422 3.142 20 30 FGEDLO COc1cc(C[NH+]2CCN(Cc3ccc(F)cc3C#N)CC2)cc(OC)c1 ZINC000175446673 496396384 /nfs/dbraw/zinc/39/63/84/496396384.db2.gz XEOUKZAOUVOGME-UHFFFAOYSA-N 1 2 369.440 3.032 20 30 FGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000172797921 496435892 /nfs/dbraw/zinc/43/58/92/496435892.db2.gz FRBXTRNESCAXCP-AWEZNQCLSA-N 1 2 354.841 3.126 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175627720 496472072 /nfs/dbraw/zinc/47/20/72/496472072.db2.gz WNUOKUMHWMBIJW-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175627720 496472077 /nfs/dbraw/zinc/47/20/77/496472077.db2.gz WNUOKUMHWMBIJW-UHFFFAOYSA-N 1 2 351.435 3.227 20 30 FGEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172910386 496487305 /nfs/dbraw/zinc/48/73/05/496487305.db2.gz LXBJIMBCBIMCDB-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172910386 496487309 /nfs/dbraw/zinc/48/73/09/496487309.db2.gz LXBJIMBCBIMCDB-MRXNPFEDSA-N 1 2 371.444 3.129 20 30 FGEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(C)o1 ZINC000184739221 496514026 /nfs/dbraw/zinc/51/40/26/496514026.db2.gz YCGBVCSGAOPDIO-AEFFLSMTSA-N 1 2 355.438 3.201 20 30 FGEDLO C=C(C)[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(F)c(F)c1 ZINC000187755924 496558886 /nfs/dbraw/zinc/55/88/86/496558886.db2.gz AGPPFWYSSBKVQM-SFHVURJKSA-N 1 2 365.449 3.459 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000164756570 496631349 /nfs/dbraw/zinc/63/13/49/496631349.db2.gz BKSFZUNIOIDYFF-GOSISDBHSA-N 1 2 362.477 3.324 20 30 FGEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000178998947 496640226 /nfs/dbraw/zinc/64/02/26/496640226.db2.gz KRQNPEQLJAWYDR-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000178998947 496640229 /nfs/dbraw/zinc/64/02/29/496640229.db2.gz KRQNPEQLJAWYDR-INIZCTEOSA-N 1 2 372.490 3.424 20 30 FGEDLO CSc1nn(-c2ccccc2)c(NC(=O)c2ccc3[nH+]ccn3c2)c1C#N ZINC000188046774 496662259 /nfs/dbraw/zinc/66/22/59/496662259.db2.gz UHVGKIGSQWPSDZ-UHFFFAOYSA-N 1 2 374.429 3.366 20 30 FGEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000185259744 496719979 /nfs/dbraw/zinc/71/99/79/496719979.db2.gz JYFKCKLYSDNPRC-ZDUSSCGKSA-N 1 2 353.426 3.278 20 30 FGEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2cccc(F)c2)no1 ZINC000191529946 496799541 /nfs/dbraw/zinc/79/95/41/496799541.db2.gz RIEPSNPDJIEAOE-GFCCVEGCSA-N 1 2 362.368 3.246 20 30 FGEDLO Cc1cc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C#N ZINC000572000570 505866776 /nfs/dbraw/zinc/86/67/76/505866776.db2.gz IZQSCOPUIFWTSQ-UHFFFAOYSA-N 1 2 371.531 3.365 20 30 FGEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)s3)CC2)s1 ZINC000188755973 496899012 /nfs/dbraw/zinc/89/90/12/496899012.db2.gz RJRNOCPTBXQYPK-UHFFFAOYSA-N 1 2 355.492 3.255 20 30 FGEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000269939099 497027655 /nfs/dbraw/zinc/02/76/55/497027655.db2.gz GAAUCUUGHMXSLN-MRXNPFEDSA-N 1 2 358.423 3.013 20 30 FGEDLO COc1ccccc1-c1nc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)no1 ZINC000192339142 497079371 /nfs/dbraw/zinc/07/93/71/497079371.db2.gz ZOTSVVTUXCHAJI-OAHLLOKOSA-N 1 2 365.437 3.368 20 30 FGEDLO C=CCCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000274565954 497124641 /nfs/dbraw/zinc/12/46/41/497124641.db2.gz YHCMGAGUFHELRJ-UHFFFAOYSA-N 1 2 354.454 3.174 20 30 FGEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c1 ZINC000270509997 497141920 /nfs/dbraw/zinc/14/19/20/497141920.db2.gz JMHXUDXQNKPFEN-UHFFFAOYSA-N 1 2 350.422 3.274 20 30 FGEDLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000274699313 497147084 /nfs/dbraw/zinc/14/70/84/497147084.db2.gz PMUPVDJXPLNJTG-INIZCTEOSA-N 1 2 358.486 3.231 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1=O ZINC000249027671 497151426 /nfs/dbraw/zinc/15/14/26/497151426.db2.gz RYRDRKBMHQYKTB-CJNGLKHVSA-N 1 2 373.428 3.493 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1=O ZINC000249027671 497151429 /nfs/dbraw/zinc/15/14/29/497151429.db2.gz RYRDRKBMHQYKTB-CJNGLKHVSA-N 1 2 373.428 3.493 20 30 FGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278571514 497156016 /nfs/dbraw/zinc/15/60/16/497156016.db2.gz BZWWHUQQZAEHPA-CQSZACIVSA-N 1 2 351.372 3.432 20 30 FGEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000274744486 497156956 /nfs/dbraw/zinc/15/69/56/497156956.db2.gz KWZVXTJXBNTWGB-UHFFFAOYSA-N 1 2 355.486 3.129 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116220 497169840 /nfs/dbraw/zinc/16/98/40/497169840.db2.gz SGMIRLVGGNNINQ-FUHWJXTLSA-N 1 2 373.815 3.232 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116220 497169843 /nfs/dbraw/zinc/16/98/43/497169843.db2.gz SGMIRLVGGNNINQ-FUHWJXTLSA-N 1 2 373.815 3.232 20 30 FGEDLO C=CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000275103601 497236989 /nfs/dbraw/zinc/23/69/89/497236989.db2.gz PTDZJWGSGYZNEN-FQEVSTJZSA-N 1 2 365.477 3.284 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271018839 497247233 /nfs/dbraw/zinc/24/72/33/497247233.db2.gz AOWIOTKMRXNZIB-IBGZPJMESA-N 1 2 368.506 3.184 20 30 FGEDLO Cc1ccc([C@@H]2OCCC[C@@H]2C/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 ZINC000266309510 497301190 /nfs/dbraw/zinc/30/11/90/497301190.db2.gz DREMEWJTOXGVMX-FHMMEVJKSA-N 1 2 354.450 3.483 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000279068931 497322926 /nfs/dbraw/zinc/32/29/26/497322926.db2.gz TVXXQYAXGSHCDU-KZNAEPCWSA-N 1 2 355.438 3.092 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000279068931 497322930 /nfs/dbraw/zinc/32/29/30/497322930.db2.gz TVXXQYAXGSHCDU-KZNAEPCWSA-N 1 2 355.438 3.092 20 30 FGEDLO C[C@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332504 497323224 /nfs/dbraw/zinc/32/32/24/497323224.db2.gz MCWDDWGSEFRTEG-GOEBONIOSA-N 1 2 364.449 3.024 20 30 FGEDLO C[C@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC12CCC2 ZINC000271332504 497323229 /nfs/dbraw/zinc/32/32/29/497323229.db2.gz MCWDDWGSEFRTEG-GOEBONIOSA-N 1 2 364.449 3.024 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000279179684 497358281 /nfs/dbraw/zinc/35/82/81/497358281.db2.gz LWMYJHAXDSQNPF-UYAOXDASSA-N 1 2 353.466 3.113 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246101148 497621866 /nfs/dbraw/zinc/62/18/66/497621866.db2.gz WJYUCOKMWDAAIZ-WOJBJXKFSA-N 1 2 360.417 3.083 20 30 FGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000246101148 497621868 /nfs/dbraw/zinc/62/18/68/497621868.db2.gz WJYUCOKMWDAAIZ-WOJBJXKFSA-N 1 2 360.417 3.083 20 30 FGEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000280098298 497648758 /nfs/dbraw/zinc/64/87/58/497648758.db2.gz OWVZACDVUKUAEL-UWJYYQICSA-N 1 2 350.466 3.077 20 30 FGEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246180721 497650148 /nfs/dbraw/zinc/65/01/48/497650148.db2.gz KFQMBZLNWFQNRB-CRAIPNDOSA-N 1 2 358.463 3.398 20 30 FGEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246180721 497650151 /nfs/dbraw/zinc/65/01/51/497650151.db2.gz KFQMBZLNWFQNRB-CRAIPNDOSA-N 1 2 358.463 3.398 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000578353615 505920969 /nfs/dbraw/zinc/92/09/69/505920969.db2.gz OIBKEBBUTQTADM-YOEHRIQHSA-N 1 2 353.422 3.248 20 30 FGEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)c(C#N)c1C ZINC000578353615 505920971 /nfs/dbraw/zinc/92/09/71/505920971.db2.gz OIBKEBBUTQTADM-YOEHRIQHSA-N 1 2 353.422 3.248 20 30 FGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000191074100 497700968 /nfs/dbraw/zinc/70/09/68/497700968.db2.gz CFMDNAXOQSMINC-UHFFFAOYSA-N 1 2 352.232 3.134 20 30 FGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000191074100 497700972 /nfs/dbraw/zinc/70/09/72/497700972.db2.gz CFMDNAXOQSMINC-UHFFFAOYSA-N 1 2 352.232 3.134 20 30 FGEDLO N#Cc1ccnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000268512186 497770336 /nfs/dbraw/zinc/77/03/36/497770336.db2.gz SFOFPQDFBMWHNR-UHFFFAOYSA-N 1 2 352.398 3.249 20 30 FGEDLO CC(C)c1cc(N2CCN(c3cnccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000569414498 505928173 /nfs/dbraw/zinc/92/81/73/505928173.db2.gz GYCUFRITTYRMLO-UHFFFAOYSA-N 1 2 350.470 3.317 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683939 497808468 /nfs/dbraw/zinc/80/84/68/497808468.db2.gz IQZWZJLQASRWDX-KUHUBIRLSA-N 1 2 367.449 3.341 20 30 FGEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(C#N)c1C ZINC000263683939 497808470 /nfs/dbraw/zinc/80/84/70/497808470.db2.gz IQZWZJLQASRWDX-KUHUBIRLSA-N 1 2 367.449 3.341 20 30 FGEDLO COc1cccc([C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccn2)c1 ZINC000364203801 497839858 /nfs/dbraw/zinc/83/98/58/497839858.db2.gz RXSPOERBZYSBPH-JOCHJYFZSA-N 1 2 372.428 3.280 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720255 497880209 /nfs/dbraw/zinc/88/02/09/497880209.db2.gz AIUWVQZQRHLSLT-SNVBAGLBSA-N 1 2 362.817 3.108 20 30 FGEDLO O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720255 497880212 /nfs/dbraw/zinc/88/02/12/497880212.db2.gz AIUWVQZQRHLSLT-SNVBAGLBSA-N 1 2 362.817 3.108 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCOC3(CCCCC3)C1)C2 ZINC000329780435 497899221 /nfs/dbraw/zinc/89/92/21/497899221.db2.gz RVLIQKSRMJPXLX-MRXNPFEDSA-N 1 2 374.529 3.445 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149373 497899340 /nfs/dbraw/zinc/89/93/40/497899340.db2.gz KCMGFAWJLDQKPD-PBHICJAKSA-N 1 2 361.405 3.218 20 30 FGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149373 497899352 /nfs/dbraw/zinc/89/93/52/497899352.db2.gz KCMGFAWJLDQKPD-PBHICJAKSA-N 1 2 361.405 3.218 20 30 FGEDLO CCN1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329798810 497905349 /nfs/dbraw/zinc/90/53/49/497905349.db2.gz GXECGDWNJDARTH-LNLFQRSKSA-N 1 2 367.497 3.257 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284826047 497913090 /nfs/dbraw/zinc/91/30/90/497913090.db2.gz MGRFONUOJHCOAU-DJIMGWMZSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284826047 497913094 /nfs/dbraw/zinc/91/30/94/497913094.db2.gz MGRFONUOJHCOAU-DJIMGWMZSA-N 1 2 374.510 3.018 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C[C@H](C2CC2)O1 ZINC000329871807 497935418 /nfs/dbraw/zinc/93/54/18/497935418.db2.gz BAIRUOUYMOMFNY-YLJYHZDGSA-N 1 2 372.509 3.191 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C[C@H](C2CC2)O1 ZINC000329871807 497935423 /nfs/dbraw/zinc/93/54/23/497935423.db2.gz BAIRUOUYMOMFNY-YLJYHZDGSA-N 1 2 372.509 3.191 20 30 FGEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000329875623 497936247 /nfs/dbraw/zinc/93/62/47/497936247.db2.gz GVWKRJSDYBEFFW-IRXDYDNUSA-N 1 2 374.485 3.495 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901749 497945731 /nfs/dbraw/zinc/94/57/31/497945731.db2.gz OVFRCQCVWIMKSI-LPMFXHHGSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329901749 497945733 /nfs/dbraw/zinc/94/57/33/497945733.db2.gz OVFRCQCVWIMKSI-LPMFXHHGSA-N 1 2 360.454 3.324 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCC1(c3ccccc3)CCCC1)CCO2 ZINC000329913787 497950747 /nfs/dbraw/zinc/95/07/47/497950747.db2.gz OVJGHJLHDJNRLO-PGRDOPGGSA-N 1 2 372.509 3.335 20 30 FGEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCC1(c3ccccc3)CCCC1)CCO2 ZINC000329913787 497950754 /nfs/dbraw/zinc/95/07/54/497950754.db2.gz OVJGHJLHDJNRLO-PGRDOPGGSA-N 1 2 372.509 3.335 20 30 FGEDLO COc1ccc(C[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)cc1F ZINC000301110084 497956141 /nfs/dbraw/zinc/95/61/41/497956141.db2.gz RFCKDCACMJCKRR-UHFFFAOYSA-N 1 2 361.367 3.306 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000292291584 497956707 /nfs/dbraw/zinc/95/67/07/497956707.db2.gz MESPOFXYZPQXNQ-MRXNPFEDSA-N 1 2 355.438 3.364 20 30 FGEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000292291584 497956713 /nfs/dbraw/zinc/95/67/13/497956713.db2.gz MESPOFXYZPQXNQ-MRXNPFEDSA-N 1 2 355.438 3.364 20 30 FGEDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329936776 497960680 /nfs/dbraw/zinc/96/06/80/497960680.db2.gz RSZIWPGCEFWAJD-UHFFFAOYSA-N 1 2 367.540 3.208 20 30 FGEDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1nc2c(s1)CCCC2 ZINC000329936776 497960686 /nfs/dbraw/zinc/96/06/86/497960686.db2.gz RSZIWPGCEFWAJD-UHFFFAOYSA-N 1 2 367.540 3.208 20 30 FGEDLO CC1CC[NH+](CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000329940726 497962001 /nfs/dbraw/zinc/96/20/01/497962001.db2.gz BWAYZISJSQZPGS-GJZGRUSLSA-N 1 2 366.531 3.072 20 30 FGEDLO O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329941690 497962883 /nfs/dbraw/zinc/96/28/83/497962883.db2.gz VEUHULZHTYUXLN-UHFFFAOYSA-N 1 2 367.453 3.071 20 30 FGEDLO CCn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cccc(C#N)c1)C1CCOCC1 ZINC000285001671 497966203 /nfs/dbraw/zinc/96/62/03/497966203.db2.gz LOJYXPUNQKORMM-ROUKRRSUSA-N 1 2 364.449 3.072 20 30 FGEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(C#N)ccc3Cl)c2)CC1 ZINC000285048431 497980672 /nfs/dbraw/zinc/98/06/72/497980672.db2.gz JRPAIDXIZKIFGB-UHFFFAOYSA-N 1 2 368.868 3.211 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330081622 498015275 /nfs/dbraw/zinc/01/52/75/498015275.db2.gz AHKIDPKSNXEQJS-OZOXKJRCSA-N 1 2 358.482 3.290 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330081622 498015280 /nfs/dbraw/zinc/01/52/80/498015280.db2.gz AHKIDPKSNXEQJS-OZOXKJRCSA-N 1 2 358.482 3.290 20 30 FGEDLO Cc1c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cnc2ccccc12 ZINC000330087567 498016473 /nfs/dbraw/zinc/01/64/73/498016473.db2.gz TYBBZUPRXLVRQZ-FQEVSTJZSA-N 1 2 371.506 3.056 20 30 FGEDLO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000281102023 498020830 /nfs/dbraw/zinc/02/08/30/498020830.db2.gz WHIZWMMJMBRPQL-YJBOKZPZSA-N 1 2 372.469 3.181 20 30 FGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000296492604 498066003 /nfs/dbraw/zinc/06/60/03/498066003.db2.gz BFNWHHNAFKPCIS-ZMMAXQRCSA-N 1 2 370.497 3.500 20 30 FGEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H](C)O1 ZINC000296492604 498066012 /nfs/dbraw/zinc/06/60/12/498066012.db2.gz BFNWHHNAFKPCIS-ZMMAXQRCSA-N 1 2 370.497 3.500 20 30 FGEDLO Cc1ccc([C@@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCOCC2)o1 ZINC000301377122 498081405 /nfs/dbraw/zinc/08/14/05/498081405.db2.gz XZJJMLWHDGNGKM-HXUWFJFHSA-N 1 2 362.433 3.493 20 30 FGEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(C#N)c1C ZINC000364695876 498094012 /nfs/dbraw/zinc/09/40/12/498094012.db2.gz OGISLJQRXUZMLA-MRXNPFEDSA-N 1 2 363.421 3.003 20 30 FGEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(C#N)c1C ZINC000364695876 498094018 /nfs/dbraw/zinc/09/40/18/498094018.db2.gz OGISLJQRXUZMLA-MRXNPFEDSA-N 1 2 363.421 3.003 20 30 FGEDLO O=C(NCCS(=O)(=O)c1ccccc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330304414 498099095 /nfs/dbraw/zinc/09/90/95/498099095.db2.gz PYYXQWAWJZWLJZ-SFHVURJKSA-N 1 2 364.511 3.214 20 30 FGEDLO O=C(NCCS(=O)(=O)c1ccccc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330304414 498099102 /nfs/dbraw/zinc/09/91/02/498099102.db2.gz PYYXQWAWJZWLJZ-SFHVURJKSA-N 1 2 364.511 3.214 20 30 FGEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000330340713 498111714 /nfs/dbraw/zinc/11/17/14/498111714.db2.gz YHDHQOAKLQEULK-MLGOLLRUSA-N 1 2 350.850 3.052 20 30 FGEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301533161 498151061 /nfs/dbraw/zinc/15/10/61/498151061.db2.gz QBNKIZLMIQOBNM-AWEZNQCLSA-N 1 2 357.889 3.198 20 30 FGEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)S1 ZINC000301625365 498193683 /nfs/dbraw/zinc/19/36/83/498193683.db2.gz GIQAOOVPBGITOV-NSHDSACASA-N 1 2 354.401 3.190 20 30 FGEDLO N#Cc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c(Br)c1 ZINC000281759143 498260328 /nfs/dbraw/zinc/26/03/28/498260328.db2.gz RNIGESXHDNUOAE-GOSISDBHSA-N 1 2 373.250 3.081 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccccc1 ZINC000301812602 498274533 /nfs/dbraw/zinc/27/45/33/498274533.db2.gz YMMQEZOASOGJCP-AEFFLSMTSA-N 1 2 351.454 3.142 20 30 FGEDLO N#CCC[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000301812602 498274541 /nfs/dbraw/zinc/27/45/41/498274541.db2.gz YMMQEZOASOGJCP-AEFFLSMTSA-N 1 2 351.454 3.142 20 30 FGEDLO N#Cc1c(F)ccc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c1Cl ZINC000365100611 498296360 /nfs/dbraw/zinc/29/63/60/498296360.db2.gz PFZDGEAEMXBMSU-UHFFFAOYSA-N 1 2 372.831 3.094 20 30 FGEDLO N#Cc1c(F)ccc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)c1Cl ZINC000365100611 498296363 /nfs/dbraw/zinc/29/63/63/498296363.db2.gz PFZDGEAEMXBMSU-UHFFFAOYSA-N 1 2 372.831 3.094 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318938 498299709 /nfs/dbraw/zinc/29/97/09/498299709.db2.gz KFYCBIWELXWDKP-CRAIPNDOSA-N 1 2 361.461 3.208 20 30 FGEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331318938 498299715 /nfs/dbraw/zinc/29/97/15/498299715.db2.gz KFYCBIWELXWDKP-CRAIPNDOSA-N 1 2 361.461 3.208 20 30 FGEDLO COCC[N@H+](Cc1cnc(Br)s1)Cc1ccc(C#N)cc1 ZINC000297194321 498352706 /nfs/dbraw/zinc/35/27/06/498352706.db2.gz QWPAGEAZGQPONG-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO COCC[N@@H+](Cc1cnc(Br)s1)Cc1ccc(C#N)cc1 ZINC000297194321 498352712 /nfs/dbraw/zinc/35/27/12/498352712.db2.gz QWPAGEAZGQPONG-UHFFFAOYSA-N 1 2 366.284 3.426 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000365358376 498423078 /nfs/dbraw/zinc/42/30/78/498423078.db2.gz DGGSDLYHRRPPCJ-JOCHJYFZSA-N 1 2 364.493 3.383 20 30 FGEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000302210062 498444556 /nfs/dbraw/zinc/44/45/56/498444556.db2.gz MASAZKJBXKIRLT-UHFFFAOYSA-N 1 2 372.182 3.489 20 30 FGEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362106186 498465791 /nfs/dbraw/zinc/46/57/91/498465791.db2.gz MTGMBJRUCOHKKT-MRXNPFEDSA-N 1 2 356.433 3.384 20 30 FGEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362106186 498465799 /nfs/dbraw/zinc/46/57/99/498465799.db2.gz MTGMBJRUCOHKKT-MRXNPFEDSA-N 1 2 356.433 3.384 20 30 FGEDLO N#Cc1cccc(C#N)c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302460100 498488660 /nfs/dbraw/zinc/48/86/60/498488660.db2.gz RDPVVVRBZUAWKM-UHFFFAOYSA-N 1 2 353.429 3.432 20 30 FGEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC(C)(C)[C@@H]3C#N)cn2c1 ZINC000331960873 498514907 /nfs/dbraw/zinc/51/49/07/498514907.db2.gz PMNVASQGAAOSLL-INIZCTEOSA-N 1 2 356.495 3.417 20 30 FGEDLO Cc1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc1C#N ZINC000302705172 498540099 /nfs/dbraw/zinc/54/00/99/498540099.db2.gz JLYJNPVLVCSKIS-UHFFFAOYSA-N 1 2 356.857 3.116 20 30 FGEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282531020 498547250 /nfs/dbraw/zinc/54/72/50/498547250.db2.gz LRQJJMKPYLHHCO-SFHVURJKSA-N 1 2 363.465 3.180 20 30 FGEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297761630 498560064 /nfs/dbraw/zinc/56/00/64/498560064.db2.gz PVEIUOYIINLFMX-OAQYLSRUSA-N 1 2 353.466 3.240 20 30 FGEDLO Cc1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)ccc1C#N ZINC000332158641 498583932 /nfs/dbraw/zinc/58/39/32/498583932.db2.gz YFEWMCMPZPVNBZ-OAHLLOKOSA-N 1 2 368.868 3.434 20 30 FGEDLO COc1ccc(Sc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)cc1 ZINC000572834781 506063576 /nfs/dbraw/zinc/06/35/76/506063576.db2.gz AQOLLJNBQMKJQC-QGZVFWFLSA-N 1 2 371.506 3.465 20 30 FGEDLO COc1ccc(Sc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)cc1 ZINC000572834781 506063581 /nfs/dbraw/zinc/06/35/81/506063581.db2.gz AQOLLJNBQMKJQC-QGZVFWFLSA-N 1 2 371.506 3.465 20 30 FGEDLO Cc1[nH+]c2cc(CNC(=O)COc3ccccc3C#N)ccc2n1C1CC1 ZINC000282858840 498682641 /nfs/dbraw/zinc/68/26/41/498682641.db2.gz HETOBWZIPLJMAQ-UHFFFAOYSA-N 1 2 360.417 3.247 20 30 FGEDLO C[C@H](c1cccc(NC(=O)[C@]2(C#N)CC23CCCC3)c1)[NH+]1CCOCC1 ZINC000294410157 498686501 /nfs/dbraw/zinc/68/65/01/498686501.db2.gz AMOQLNUAJHCTOQ-IIBYNOLFSA-N 1 2 353.466 3.492 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000363285053 498745328 /nfs/dbraw/zinc/74/53/28/498745328.db2.gz BBMVMSHGVXWKMH-INIZCTEOSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000363285053 498745334 /nfs/dbraw/zinc/74/53/34/498745334.db2.gz BBMVMSHGVXWKMH-INIZCTEOSA-N 1 2 357.504 3.026 20 30 FGEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000294677696 498770334 /nfs/dbraw/zinc/77/03/34/498770334.db2.gz JNDLZSWQZAZKNZ-UHFFFAOYSA-N 1 2 359.227 3.064 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000363387086 498793639 /nfs/dbraw/zinc/79/36/39/498793639.db2.gz YZOIHGFFPFECSL-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000363387086 498793648 /nfs/dbraw/zinc/79/36/48/498793648.db2.gz YZOIHGFFPFECSL-UHFFFAOYSA-N 1 2 367.424 3.054 20 30 FGEDLO CCCCCCCCNC(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000283179068 498807673 /nfs/dbraw/zinc/80/76/73/498807673.db2.gz DXGCRTMAXPXBDY-UHFFFAOYSA-N 1 2 364.534 3.161 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000363441520 498824051 /nfs/dbraw/zinc/82/40/51/498824051.db2.gz LAIUFBWRECNWMQ-LJQANCHMSA-N 1 2 362.458 3.010 20 30 FGEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000291208998 498844186 /nfs/dbraw/zinc/84/41/86/498844186.db2.gz MOGHHUPLHORRGO-GFCCVEGCSA-N 1 2 354.472 3.201 20 30 FGEDLO COc1ccc([C@@H](NC(=O)N2CCCC23CCC3)c2[nH+]ccn2C)cc1 ZINC000328614729 498876339 /nfs/dbraw/zinc/87/63/39/498876339.db2.gz RGQWOGRBUHIXOV-QGZVFWFLSA-N 1 2 354.454 3.451 20 30 FGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C2CC2)O1 ZINC000366378953 498901604 /nfs/dbraw/zinc/90/16/04/498901604.db2.gz NTJCCPXTJATEPG-QVKFZJNVSA-N 1 2 351.450 3.237 20 30 FGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C2CC2)O1 ZINC000366378953 498901609 /nfs/dbraw/zinc/90/16/09/498901609.db2.gz NTJCCPXTJATEPG-QVKFZJNVSA-N 1 2 351.450 3.237 20 30 FGEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328709469 498910348 /nfs/dbraw/zinc/91/03/48/498910348.db2.gz FXNPNKABGAIJOU-OAHLLOKOSA-N 1 2 372.513 3.461 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000328711303 498910394 /nfs/dbraw/zinc/91/03/94/498910394.db2.gz NCLXUJIRRYIRJH-YJBOKZPZSA-N 1 2 360.408 3.248 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000328711303 498910400 /nfs/dbraw/zinc/91/04/00/498910400.db2.gz NCLXUJIRRYIRJH-YJBOKZPZSA-N 1 2 360.408 3.248 20 30 FGEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000283604355 498936281 /nfs/dbraw/zinc/93/62/81/498936281.db2.gz MMNDZJJJDLPRPB-OAHLLOKOSA-N 1 2 372.542 3.461 20 30 FGEDLO C=CC[C@H](C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1)c1ccccc1 ZINC000363686489 498944129 /nfs/dbraw/zinc/94/41/29/498944129.db2.gz LHPFBEBBQOFASF-IBGZPJMESA-N 1 2 350.466 3.230 20 30 FGEDLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000363713383 498956238 /nfs/dbraw/zinc/95/62/38/498956238.db2.gz NYCXJDRTXMVUOY-HNNXBMFYSA-N 1 2 369.494 3.040 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000579212701 506120483 /nfs/dbraw/zinc/12/04/83/506120483.db2.gz UUUFGOTZGHETEZ-KRWDZBQOSA-N 1 2 351.479 3.391 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000579212701 506120485 /nfs/dbraw/zinc/12/04/85/506120485.db2.gz UUUFGOTZGHETEZ-KRWDZBQOSA-N 1 2 351.479 3.391 20 30 FGEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3scnc3C3CC3)CC2)s1 ZINC000328923283 498987754 /nfs/dbraw/zinc/98/77/54/498987754.db2.gz MZJPWKGYZLFJPU-UHFFFAOYSA-N 1 2 363.512 3.149 20 30 FGEDLO O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947427 498995997 /nfs/dbraw/zinc/99/59/97/498995997.db2.gz VTINWTNUGFSNOZ-PXAZEXFGSA-N 1 2 351.410 3.462 20 30 FGEDLO O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947427 498996000 /nfs/dbraw/zinc/99/60/00/498996000.db2.gz VTINWTNUGFSNOZ-PXAZEXFGSA-N 1 2 351.410 3.462 20 30 FGEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000328977297 499004296 /nfs/dbraw/zinc/00/42/96/499004296.db2.gz BYWOTOWUPPCHGZ-OAHLLOKOSA-N 1 2 353.470 3.039 20 30 FGEDLO C[C@@H]1CC[C@@H](CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000328991573 499008804 /nfs/dbraw/zinc/00/88/04/499008804.db2.gz DHJZATHRUNMXES-NOAAKOMESA-N 1 2 358.486 3.397 20 30 FGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CNC(=O)CC1CCCC1)CCCC2 ZINC000329018214 499015839 /nfs/dbraw/zinc/01/58/39/499015839.db2.gz KVNQKYSNNQVTLD-GOSISDBHSA-N 1 2 372.513 3.499 20 30 FGEDLO CC(=O)N1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)CC12CCCCC2 ZINC000329019265 499017573 /nfs/dbraw/zinc/01/75/73/499017573.db2.gz HIPRGOMGNOHSFS-UHFFFAOYSA-N 1 2 372.469 3.056 20 30 FGEDLO CC(=O)N1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)CC12CCCCC2 ZINC000329019265 499017575 /nfs/dbraw/zinc/01/75/75/499017575.db2.gz HIPRGOMGNOHSFS-UHFFFAOYSA-N 1 2 372.469 3.056 20 30 FGEDLO CC(C)c1nnc2n1CC[N@@H+](Cc1cccn1Cc1ccccc1C#N)C2 ZINC000363885483 499039841 /nfs/dbraw/zinc/03/98/41/499039841.db2.gz HSUQYSAFRDQKTK-UHFFFAOYSA-N 1 2 360.465 3.139 20 30 FGEDLO CC(C)c1nnc2n1CC[N@H+](Cc1cccn1Cc1ccccc1C#N)C2 ZINC000363885483 499039843 /nfs/dbraw/zinc/03/98/43/499039843.db2.gz HSUQYSAFRDQKTK-UHFFFAOYSA-N 1 2 360.465 3.139 20 30 FGEDLO O=C(NC[C@@H]1CCCSC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329277872 499089568 /nfs/dbraw/zinc/08/95/68/499089568.db2.gz CQIITKOEJZXSDT-HNNXBMFYSA-N 1 2 362.543 3.456 20 30 FGEDLO CN(CC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)c1cccs1 ZINC000329316340 499097999 /nfs/dbraw/zinc/09/79/99/499097999.db2.gz CXAYNSKJDZLKAH-ZDUSSCGKSA-N 1 2 374.510 3.286 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329362036 499108358 /nfs/dbraw/zinc/10/83/58/499108358.db2.gz CSOFQNFVOQSNDE-UHFFFAOYSA-N 1 2 368.481 3.498 20 30 FGEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329362036 499108361 /nfs/dbraw/zinc/10/83/61/499108361.db2.gz CSOFQNFVOQSNDE-UHFFFAOYSA-N 1 2 368.481 3.498 20 30 FGEDLO NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000329412866 499117447 /nfs/dbraw/zinc/11/74/47/499117447.db2.gz CDMLGKZWFACFBD-CQSZACIVSA-N 1 2 353.426 3.217 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)[nH]1 ZINC000329425640 499119305 /nfs/dbraw/zinc/11/93/05/499119305.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)[nH]1 ZINC000329425640 499119309 /nfs/dbraw/zinc/11/93/09/499119309.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n1 ZINC000329425640 499119313 /nfs/dbraw/zinc/11/93/13/499119313.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n1 ZINC000329425640 499119317 /nfs/dbraw/zinc/11/93/17/499119317.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n[nH]1 ZINC000329425640 499119319 /nfs/dbraw/zinc/11/93/19/499119319.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)n[nH]1 ZINC000329425640 499119322 /nfs/dbraw/zinc/11/93/22/499119322.db2.gz GVFYJZBKJBAJQC-INIZCTEOSA-N 1 2 353.470 3.328 20 30 FGEDLO COc1ccccc1C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329425335 499119728 /nfs/dbraw/zinc/11/97/28/499119728.db2.gz IMBRPINPPOMYRI-GOSISDBHSA-N 1 2 358.482 3.327 20 30 FGEDLO COc1ccccc1C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329425335 499119731 /nfs/dbraw/zinc/11/97/31/499119731.db2.gz IMBRPINPPOMYRI-GOSISDBHSA-N 1 2 358.482 3.327 20 30 FGEDLO C[C@@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC12CCC2 ZINC000329453604 499123907 /nfs/dbraw/zinc/12/39/07/499123907.db2.gz MAYRTSLRDJILBR-NVXWUHKLSA-N 1 2 360.502 3.314 20 30 FGEDLO CCn1cc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)cn1 ZINC000329493479 499127888 /nfs/dbraw/zinc/12/78/88/499127888.db2.gz IBCUMQVHFBLJHR-UHFFFAOYSA-N 1 2 359.499 3.316 20 30 FGEDLO O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)C1CC[NH+](CC(F)F)CC1 ZINC000329501265 499128274 /nfs/dbraw/zinc/12/82/74/499128274.db2.gz KJKRCDCDSDJANU-INIZCTEOSA-N 1 2 371.472 3.244 20 30 FGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329533539 499129554 /nfs/dbraw/zinc/12/95/54/499129554.db2.gz YEHZCNOKHHVUKW-ZWKOTPCHSA-N 1 2 350.503 3.468 20 30 FGEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329533539 499129555 /nfs/dbraw/zinc/12/95/55/499129555.db2.gz YEHZCNOKHHVUKW-ZWKOTPCHSA-N 1 2 350.503 3.468 20 30 FGEDLO N#CCSc1cccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000370217393 499198715 /nfs/dbraw/zinc/19/87/15/499198715.db2.gz YJHZGXOESHNFGG-UHFFFAOYSA-N 1 2 372.519 3.153 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370220502 499199077 /nfs/dbraw/zinc/19/90/77/499199077.db2.gz QWGIWZVFOUWWLK-UHFFFAOYSA-N 1 2 369.494 3.104 20 30 FGEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370220502 499199079 /nfs/dbraw/zinc/19/90/79/499199079.db2.gz QWGIWZVFOUWWLK-UHFFFAOYSA-N 1 2 369.494 3.104 20 30 FGEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)c1C ZINC000367931206 499247069 /nfs/dbraw/zinc/24/70/69/499247069.db2.gz MWHLBYBGAXPKHJ-SFHVURJKSA-N 1 2 351.454 3.110 20 30 FGEDLO COc1ccccc1[C@H](NC(=O)c1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000371164264 499295186 /nfs/dbraw/zinc/29/51/86/499295186.db2.gz MTMOGLPSTSCWMN-IBGZPJMESA-N 1 2 360.417 3.014 20 30 FGEDLO C#CC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000371367790 499315994 /nfs/dbraw/zinc/31/59/94/499315994.db2.gz BLYBBTTXQRUPRT-IEBWSBKVSA-N 1 2 350.466 3.149 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CC(=O)Nc4cccc5c4[C@H]3CCC5)n2c1 ZINC000368633829 499316123 /nfs/dbraw/zinc/31/61/23/499316123.db2.gz OGTJASLXHUBPFC-GOSISDBHSA-N 1 2 357.417 3.038 20 30 FGEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000369006244 499356366 /nfs/dbraw/zinc/35/63/66/499356366.db2.gz YYYFHHQWKWWDHO-UHFFFAOYSA-N 1 2 372.428 3.428 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025709 499358538 /nfs/dbraw/zinc/35/85/38/499358538.db2.gz DLSZQFQAODCGEJ-LEWJYISDSA-N 1 2 368.456 3.296 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369025709 499358539 /nfs/dbraw/zinc/35/85/39/499358539.db2.gz DLSZQFQAODCGEJ-LEWJYISDSA-N 1 2 368.456 3.296 20 30 FGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)ccc1F ZINC000371960273 499384177 /nfs/dbraw/zinc/38/41/77/499384177.db2.gz RSNYIJHXTQBDJK-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)ccc1F ZINC000371960273 499384179 /nfs/dbraw/zinc/38/41/79/499384179.db2.gz RSNYIJHXTQBDJK-INIZCTEOSA-N 1 2 364.384 3.265 20 30 FGEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4ccc(Cl)s4)C3)n2c1 ZINC000372403432 499430130 /nfs/dbraw/zinc/43/01/30/499430130.db2.gz CNNPMITTXSSMHA-CQSZACIVSA-N 1 2 358.854 3.494 20 30 FGEDLO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)s2)cc1 ZINC000373569240 499477363 /nfs/dbraw/zinc/47/73/63/499477363.db2.gz RAQAROAQPMLMQR-OAHLLOKOSA-N 1 2 363.446 3.003 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375400011 499514028 /nfs/dbraw/zinc/51/40/28/499514028.db2.gz BKIGFCXVOSWFBH-IBGZPJMESA-N 1 2 353.447 3.080 20 30 FGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375400011 499514030 /nfs/dbraw/zinc/51/40/30/499514030.db2.gz BKIGFCXVOSWFBH-IBGZPJMESA-N 1 2 353.447 3.080 20 30 FGEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1C ZINC000375681842 499544803 /nfs/dbraw/zinc/54/48/03/499544803.db2.gz ZLOOITUPBNCXQW-UHFFFAOYSA-N 1 2 370.428 3.216 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@](C)(O)C1 ZINC000408052248 499575007 /nfs/dbraw/zinc/57/50/07/499575007.db2.gz ALRGMOLLNWBYDZ-YJYMSZOUSA-N 1 2 361.511 3.062 20 30 FGEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@](C)(O)C1 ZINC000408052248 499575009 /nfs/dbraw/zinc/57/50/09/499575009.db2.gz ALRGMOLLNWBYDZ-YJYMSZOUSA-N 1 2 361.511 3.062 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000376535669 499616155 /nfs/dbraw/zinc/61/61/55/499616155.db2.gz ZFRWYJVMPLICEP-UHFFFAOYSA-N 1 2 365.271 3.092 20 30 FGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000376535669 499616156 /nfs/dbraw/zinc/61/61/56/499616156.db2.gz ZFRWYJVMPLICEP-UHFFFAOYSA-N 1 2 365.271 3.092 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000376594130 499621389 /nfs/dbraw/zinc/62/13/89/499621389.db2.gz CNRQOBRFQUDVDU-UHFFFAOYSA-N 1 2 362.477 3.426 20 30 FGEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377082581 499660083 /nfs/dbraw/zinc/66/00/83/499660083.db2.gz KWTXPOPKAPQYEM-WOJBJXKFSA-N 1 2 358.482 3.104 20 30 FGEDLO C[C@@H](c1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1)[NH+]1CCOCC1 ZINC000410433802 499662308 /nfs/dbraw/zinc/66/23/08/499662308.db2.gz DFLLRHRUQRAUIE-ZDUSSCGKSA-N 1 2 370.840 3.252 20 30 FGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000411195026 499709526 /nfs/dbraw/zinc/70/95/26/499709526.db2.gz RXCSHYCPZXQQNX-IBGZPJMESA-N 1 2 353.422 3.412 20 30 FGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000411195026 499709528 /nfs/dbraw/zinc/70/95/28/499709528.db2.gz RXCSHYCPZXQQNX-IBGZPJMESA-N 1 2 353.422 3.412 20 30 FGEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC1CC1 ZINC000411228931 499714313 /nfs/dbraw/zinc/71/43/13/499714313.db2.gz WJSVNBYKNDFDDP-LLVKDONJSA-N 1 2 355.251 3.243 20 30 FGEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NC1CC1 ZINC000411228931 499714314 /nfs/dbraw/zinc/71/43/14/499714314.db2.gz WJSVNBYKNDFDDP-LLVKDONJSA-N 1 2 355.251 3.243 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1Br ZINC000414166417 499765167 /nfs/dbraw/zinc/76/51/67/499765167.db2.gz QXRDTTLWWKESLF-AWEZNQCLSA-N 1 2 363.255 3.187 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1Br ZINC000414166417 499765168 /nfs/dbraw/zinc/76/51/68/499765168.db2.gz QXRDTTLWWKESLF-AWEZNQCLSA-N 1 2 363.255 3.187 20 30 FGEDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)no1 ZINC000411798015 499792001 /nfs/dbraw/zinc/79/20/01/499792001.db2.gz SDRQVZPBEQSOCA-SFHVURJKSA-N 1 2 373.844 3.147 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C(F)(F)F)CCCC3)CC2)cc1 ZINC000416126955 499951056 /nfs/dbraw/zinc/95/10/56/499951056.db2.gz RZMUYYCRRDJORQ-UHFFFAOYSA-N 1 2 365.399 3.325 20 30 FGEDLO C=CCC1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)CCOCC1 ZINC000424871097 499958482 /nfs/dbraw/zinc/95/84/82/499958482.db2.gz ZYQAXMIDXUICNO-CQSZACIVSA-N 1 2 357.454 3.209 20 30 FGEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428995689 499977429 /nfs/dbraw/zinc/97/74/29/499977429.db2.gz CXIWHDASWZASMF-INIZCTEOSA-N 1 2 367.193 3.422 20 30 FGEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c[nH+]cn1C ZINC000425091102 500016538 /nfs/dbraw/zinc/01/65/38/500016538.db2.gz WOMXTULKZVCXDI-ZDUSSCGKSA-N 1 2 364.371 3.312 20 30 FGEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000425136867 500029108 /nfs/dbraw/zinc/02/91/08/500029108.db2.gz XELBKHOWOTZSLO-KRWDZBQOSA-N 1 2 363.461 3.224 20 30 FGEDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1cn2ccccc2c1C#N ZINC000429400290 500070188 /nfs/dbraw/zinc/07/01/88/500070188.db2.gz YDYQMRIVGKPJDB-HZPDHXFCSA-N 1 2 352.482 3.278 20 30 FGEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000425473041 500116388 /nfs/dbraw/zinc/11/63/88/500116388.db2.gz IVWMFTIHYXAHOQ-GFCCVEGCSA-N 1 2 365.359 3.220 20 30 FGEDLO N#CCCn1ncc(C(=O)NCc2cn3ccccc3[nH+]2)c1-c1ccccc1 ZINC000429730549 500134732 /nfs/dbraw/zinc/13/47/32/500134732.db2.gz FUBYAAYIACMRGA-UHFFFAOYSA-N 1 2 370.416 3.041 20 30 FGEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000414096698 500153004 /nfs/dbraw/zinc/15/30/04/500153004.db2.gz MJJWAPDTBFBLGC-JTQLQIEISA-N 1 2 353.797 3.052 20 30 FGEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000414096698 500153005 /nfs/dbraw/zinc/15/30/05/500153005.db2.gz MJJWAPDTBFBLGC-JTQLQIEISA-N 1 2 353.797 3.052 20 30 FGEDLO Cc1cc[nH+]c(C)c1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000425587888 500154586 /nfs/dbraw/zinc/15/45/86/500154586.db2.gz OXZKPQRWWGCQPE-UHFFFAOYSA-N 1 2 350.422 3.364 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O2 ZINC000430254204 500215967 /nfs/dbraw/zinc/21/59/67/500215967.db2.gz GMIPYOHGZKKIJM-BIENJYKASA-N 1 2 366.408 3.318 20 30 FGEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O2 ZINC000430254204 500215969 /nfs/dbraw/zinc/21/59/69/500215969.db2.gz GMIPYOHGZKKIJM-BIENJYKASA-N 1 2 366.408 3.318 20 30 FGEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000426183150 500244553 /nfs/dbraw/zinc/24/45/53/500244553.db2.gz MTASQLMPVLQNLG-LJQANCHMSA-N 1 2 358.445 3.320 20 30 FGEDLO COc1cc(OC)c2ncc(C#N)c(NCc3c[nH+]ccc3OC)c2c1 ZINC000431504913 500385494 /nfs/dbraw/zinc/38/54/94/500385494.db2.gz HQGXQLJORHEGEV-UHFFFAOYSA-N 1 2 350.378 3.139 20 30 FGEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427996215 500456207 /nfs/dbraw/zinc/45/62/07/500456207.db2.gz NDUIETPYZUVVNM-IBGZPJMESA-N 1 2 372.428 3.079 20 30 FGEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)nn1 ZINC000424171567 500463249 /nfs/dbraw/zinc/46/32/49/500463249.db2.gz LXAZIKWGJYOLIB-UHFFFAOYSA-N 1 2 370.478 3.403 20 30 FGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)nn1 ZINC000424296743 500483589 /nfs/dbraw/zinc/48/35/89/500483589.db2.gz PIFBJOODIIFMFA-INIZCTEOSA-N 1 2 350.470 3.426 20 30 FGEDLO N#CCC[N@@H+](CCCc1c(Cl)cccc1Cl)CCN1CCOCC1 ZINC000428461656 500512884 /nfs/dbraw/zinc/51/28/84/500512884.db2.gz IZUVURSTXXSVSO-UHFFFAOYSA-N 1 2 370.324 3.474 20 30 FGEDLO N#CCC[N@H+](CCCc1c(Cl)cccc1Cl)CCN1CCOCC1 ZINC000428461656 500512886 /nfs/dbraw/zinc/51/28/86/500512886.db2.gz IZUVURSTXXSVSO-UHFFFAOYSA-N 1 2 370.324 3.474 20 30 FGEDLO N#CCCN(CCCc1c(Cl)cccc1Cl)CC[NH+]1CCOCC1 ZINC000428461656 500512888 /nfs/dbraw/zinc/51/28/88/500512888.db2.gz IZUVURSTXXSVSO-UHFFFAOYSA-N 1 2 370.324 3.474 20 30 FGEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H](CC)O1 ZINC000420952836 500539871 /nfs/dbraw/zinc/53/98/71/500539871.db2.gz IOYTUQWJCWSKEZ-KZNAEPCWSA-N 1 2 373.497 3.220 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1Cl ZINC000432777906 500561948 /nfs/dbraw/zinc/56/19/48/500561948.db2.gz WXHUIQLAABTQTK-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1Cl ZINC000432777906 500561950 /nfs/dbraw/zinc/56/19/50/500561950.db2.gz WXHUIQLAABTQTK-SFHVURJKSA-N 1 2 358.825 3.437 20 30 FGEDLO COC(=O)c1cc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc1C ZINC000432931384 500592312 /nfs/dbraw/zinc/59/23/12/500592312.db2.gz KMOZKXNPTCNAMV-HNNXBMFYSA-N 1 2 367.449 3.125 20 30 FGEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)oc1C ZINC000432931384 500592315 /nfs/dbraw/zinc/59/23/15/500592315.db2.gz KMOZKXNPTCNAMV-HNNXBMFYSA-N 1 2 367.449 3.125 20 30 FGEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433283576 500660992 /nfs/dbraw/zinc/66/09/92/500660992.db2.gz CYAGSFIQBKCERE-HNNXBMFYSA-N 1 2 356.388 3.160 20 30 FGEDLO C=CCNC(=O)C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000433283576 500660994 /nfs/dbraw/zinc/66/09/94/500660994.db2.gz CYAGSFIQBKCERE-HNNXBMFYSA-N 1 2 356.388 3.160 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000433289215 500662028 /nfs/dbraw/zinc/66/20/28/500662028.db2.gz PHOZWHUDQZWPIZ-FQEVSTJZSA-N 1 2 373.497 3.143 20 30 FGEDLO CC(C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000433289215 500662032 /nfs/dbraw/zinc/66/20/32/500662032.db2.gz PHOZWHUDQZWPIZ-FQEVSTJZSA-N 1 2 373.497 3.143 20 30 FGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H](CC)CN1C(C)=O ZINC000437634895 500672830 /nfs/dbraw/zinc/67/28/30/500672830.db2.gz ISKSIRMWCQGPGY-IAGOWNOFSA-N 1 2 365.424 3.381 20 30 FGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H](CC)CN1C(C)=O ZINC000437634895 500672832 /nfs/dbraw/zinc/67/28/32/500672832.db2.gz ISKSIRMWCQGPGY-IAGOWNOFSA-N 1 2 365.424 3.381 20 30 FGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000438002649 500727194 /nfs/dbraw/zinc/72/71/94/500727194.db2.gz UNRHLRSFBMSMCW-ULJFZEHQSA-N 1 2 369.509 3.008 20 30 FGEDLO COC(=O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000438601870 500807107 /nfs/dbraw/zinc/80/71/07/500807107.db2.gz XFALPAWSHNOCIW-UHFFFAOYSA-N 1 2 355.356 3.354 20 30 FGEDLO COC(=O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000438601870 500807113 /nfs/dbraw/zinc/80/71/13/500807113.db2.gz XFALPAWSHNOCIW-UHFFFAOYSA-N 1 2 355.356 3.354 20 30 FGEDLO N#CCCCCCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000588148726 506217732 /nfs/dbraw/zinc/21/77/32/506217732.db2.gz JFCFVQNPEKUMPE-UHFFFAOYSA-N 1 2 363.889 3.337 20 30 FGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000444230544 500820794 /nfs/dbraw/zinc/82/07/94/500820794.db2.gz ZMWYOKNMKJFRGS-UHFFFAOYSA-N 1 2 352.482 3.314 20 30 FGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000444230544 500820798 /nfs/dbraw/zinc/82/07/98/500820798.db2.gz ZMWYOKNMKJFRGS-UHFFFAOYSA-N 1 2 352.482 3.314 20 30 FGEDLO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000444639935 500871524 /nfs/dbraw/zinc/87/15/24/500871524.db2.gz ODLSPRWWAKZBFM-AVRWGWEMSA-N 1 2 352.503 3.339 20 30 FGEDLO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[S@]1=O ZINC000444639935 500871527 /nfs/dbraw/zinc/87/15/27/500871527.db2.gz ODLSPRWWAKZBFM-AVRWGWEMSA-N 1 2 352.503 3.339 20 30 FGEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435022981 500923384 /nfs/dbraw/zinc/92/33/84/500923384.db2.gz FJHMMGFHWQCSPI-UHFFFAOYSA-N 1 2 362.355 3.007 20 30 FGEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3cccc(C#N)c3)CC1)C2 ZINC000435088351 500932604 /nfs/dbraw/zinc/93/26/04/500932604.db2.gz TTWVAXQPIMHWGP-QGZVFWFLSA-N 1 2 362.477 3.215 20 30 FGEDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596056949 506231224 /nfs/dbraw/zinc/23/12/24/506231224.db2.gz BIKCSHLDOZUSML-MRXNPFEDSA-N 1 2 372.450 3.322 20 30 FGEDLO Cn1cc[nH+]c1CN(Cc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440725940 501042977 /nfs/dbraw/zinc/04/29/77/501042977.db2.gz GYBRWRWYLMKLQY-UHFFFAOYSA-N 1 2 358.405 3.080 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 ZINC000611622458 506232654 /nfs/dbraw/zinc/23/26/54/506232654.db2.gz LHFNYMOGGYUACO-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c(F)c1 ZINC000611622458 506232658 /nfs/dbraw/zinc/23/26/58/506232658.db2.gz LHFNYMOGGYUACO-SFHVURJKSA-N 1 2 373.453 3.104 20 30 FGEDLO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596071294 506240660 /nfs/dbraw/zinc/24/06/60/506240660.db2.gz OIYADPSTPYCTNG-LJQANCHMSA-N 1 2 366.421 3.260 20 30 FGEDLO N#Cc1cc(Br)cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000450257345 501220692 /nfs/dbraw/zinc/22/06/92/501220692.db2.gz LADOXLFJQXZWEQ-UHFFFAOYSA-N 1 2 358.243 3.192 20 30 FGEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450315859 501231967 /nfs/dbraw/zinc/23/19/67/501231967.db2.gz DTNLLMUHDJATGA-INIZCTEOSA-N 1 2 372.450 3.038 20 30 FGEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000451212391 501252582 /nfs/dbraw/zinc/25/25/82/501252582.db2.gz OLBVBJANQBOSRH-UHFFFAOYSA-N 1 2 372.856 3.422 20 30 FGEDLO CC#CCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457676253 501284677 /nfs/dbraw/zinc/28/46/77/501284677.db2.gz RVURSXZAQVKHLU-MRXNPFEDSA-N 1 2 351.853 3.281 20 30 FGEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000455453332 501306313 /nfs/dbraw/zinc/30/63/13/501306313.db2.gz BDBOWNYXKYINJA-OAHLLOKOSA-N 1 2 367.453 3.089 20 30 FGEDLO COc1cc(F)cc(OC)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000602651732 506245397 /nfs/dbraw/zinc/24/53/97/506245397.db2.gz LAJSKJRQWCDIKL-UHFFFAOYSA-N 1 2 355.413 3.295 20 30 FGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000602649452 506246635 /nfs/dbraw/zinc/24/66/35/506246635.db2.gz IMZIUZDITWQKAJ-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000602649452 506246642 /nfs/dbraw/zinc/24/66/42/506246642.db2.gz IMZIUZDITWQKAJ-NRFANRHFSA-N 1 2 362.477 3.057 20 30 FGEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455763798 501381269 /nfs/dbraw/zinc/38/12/69/501381269.db2.gz DVWZUBIZXZKJGY-CQSZACIVSA-N 1 2 367.453 3.490 20 30 FGEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000598966978 506251748 /nfs/dbraw/zinc/25/17/48/506251748.db2.gz BQHCTPHVOMCISK-UHFFFAOYSA-N 1 2 373.460 3.067 20 30 FGEDLO N#Cc1cc(Cl)ccc1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000452044255 501424567 /nfs/dbraw/zinc/42/45/67/501424567.db2.gz CPECAHPBDKXLBH-UHFFFAOYSA-N 1 2 359.857 3.139 20 30 FGEDLO Cc1cc(C#N)cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000456007525 501436838 /nfs/dbraw/zinc/43/68/38/501436838.db2.gz RJEFRLLLGONFBQ-QGZVFWFLSA-N 1 2 370.478 3.123 20 30 FGEDLO C=C(C)[C@@H](CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)OCC ZINC000456656838 501568696 /nfs/dbraw/zinc/56/86/96/501568696.db2.gz GTMNHRGPYHMVDY-CYBMUJFWSA-N 1 2 356.264 3.220 20 30 FGEDLO C=CC(C)(C)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000458987334 501572105 /nfs/dbraw/zinc/57/21/05/501572105.db2.gz LYCWWDPKVRDGAS-GOSISDBHSA-N 1 2 359.514 3.131 20 30 FGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000459420077 501650951 /nfs/dbraw/zinc/65/09/51/501650951.db2.gz XPFHLCPHQJGTDN-UHFFFAOYSA-N 1 2 353.426 3.355 20 30 FGEDLO CCCn1nccc1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459425166 501651978 /nfs/dbraw/zinc/65/19/78/501651978.db2.gz AYLSQWQDHIMXFW-UHFFFAOYSA-N 1 2 353.426 3.453 20 30 FGEDLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1C#N ZINC000457441058 501698520 /nfs/dbraw/zinc/69/85/20/501698520.db2.gz AKEGFJHPQLARIF-HOTGVXAUSA-N 1 2 364.449 3.123 20 30 FGEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459797408 501715031 /nfs/dbraw/zinc/71/50/31/501715031.db2.gz SAXSXEAAFJXHLN-KGLIPLIRSA-N 1 2 357.483 3.104 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000485255584 501770747 /nfs/dbraw/zinc/77/07/47/501770747.db2.gz UTTPRCZYQPVIIU-CMKODMSKSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000485255584 501770754 /nfs/dbraw/zinc/77/07/54/501770754.db2.gz UTTPRCZYQPVIIU-CMKODMSKSA-N 1 2 373.541 3.047 20 30 FGEDLO C=CCCO[C@H](C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485292120 501778754 /nfs/dbraw/zinc/77/87/54/501778754.db2.gz XQRPQVBUMZASQP-MRXNPFEDSA-N 1 2 367.453 3.243 20 30 FGEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)CC1 ZINC000474294747 501778882 /nfs/dbraw/zinc/77/88/82/501778882.db2.gz SZSVORXMYYZUKZ-UHFFFAOYSA-N 1 2 366.509 3.342 20 30 FGEDLO C=CCCC1(C(=O)N2CCN(Cc3c(C)[nH+]c4cc(C)ccn43)CC2)CC1 ZINC000474294747 501778889 /nfs/dbraw/zinc/77/88/89/501778889.db2.gz SZSVORXMYYZUKZ-UHFFFAOYSA-N 1 2 366.509 3.342 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000474352841 501802870 /nfs/dbraw/zinc/80/28/70/501802870.db2.gz IFCPYAYWOKCHLP-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO C=C(C)COCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000474352841 501802873 /nfs/dbraw/zinc/80/28/73/501802873.db2.gz IFCPYAYWOKCHLP-CQSZACIVSA-N 1 2 352.504 3.089 20 30 FGEDLO C=CC[C@@H](CO)NC(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000467658560 501840050 /nfs/dbraw/zinc/84/00/50/501840050.db2.gz WDJLDYVKIFJQAQ-SUMWQHHRSA-N 1 2 354.853 3.059 20 30 FGEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccn1 ZINC000470990419 501885589 /nfs/dbraw/zinc/88/55/89/501885589.db2.gz ASIKCOBEZQZCNE-SFHVURJKSA-N 1 2 356.857 3.126 20 30 FGEDLO C=CCC(CC=C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000467828237 501886057 /nfs/dbraw/zinc/88/60/57/501886057.db2.gz KEVQKJYGRNOZLY-UHFFFAOYSA-N 1 2 368.481 3.145 20 30 FGEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000471012346 501891011 /nfs/dbraw/zinc/89/10/11/501891011.db2.gz OVMDYDUKDAYQCR-SFHVURJKSA-N 1 2 356.857 3.126 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCc1noc(CNc2ccc(C#N)cc2)n1 ZINC000460832397 501932606 /nfs/dbraw/zinc/93/26/06/501932606.db2.gz YLCLMLHKJHLOGE-UHFFFAOYSA-N 1 2 358.405 3.454 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)OCC ZINC000485784679 501936203 /nfs/dbraw/zinc/93/62/03/501936203.db2.gz KMHDLUKBARHCBS-JENIJYKNSA-N 1 2 352.425 3.198 20 30 FGEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)OCC ZINC000485784679 501936205 /nfs/dbraw/zinc/93/62/05/501936205.db2.gz KMHDLUKBARHCBS-JENIJYKNSA-N 1 2 352.425 3.198 20 30 FGEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@@H](C#N)C(C)C)cc3)cn2c1 ZINC000468139774 501970539 /nfs/dbraw/zinc/97/05/39/501970539.db2.gz GJBFAJZNONAOKM-IBGZPJMESA-N 1 2 362.433 3.500 20 30 FGEDLO COc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1OCCCC#N ZINC000485972755 502007873 /nfs/dbraw/zinc/00/78/73/502007873.db2.gz AOCHPATVFYYTCD-UHFFFAOYSA-N 1 2 354.385 3.427 20 30 FGEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(F)F)CC1 ZINC000486141845 502060797 /nfs/dbraw/zinc/06/07/97/502060797.db2.gz ZJWKZLLOKWBSDH-JTQLQIEISA-N 1 2 353.438 3.413 20 30 FGEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000475346885 502142803 /nfs/dbraw/zinc/14/28/03/502142803.db2.gz DXMHNQAPLLLOML-HXUWFJFHSA-N 1 2 365.868 3.370 20 30 FGEDLO CC(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479344722 502230326 /nfs/dbraw/zinc/23/03/26/502230326.db2.gz NPJUHEJQDBDHNX-UHFFFAOYSA-N 1 2 361.445 3.177 20 30 FGEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000462051299 502287248 /nfs/dbraw/zinc/28/72/48/502287248.db2.gz TUINKFGFBMVAGX-OAHLLOKOSA-N 1 2 368.506 3.161 20 30 FGEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000462051299 502287250 /nfs/dbraw/zinc/28/72/50/502287250.db2.gz TUINKFGFBMVAGX-OAHLLOKOSA-N 1 2 368.506 3.161 20 30 FGEDLO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000483262754 502332872 /nfs/dbraw/zinc/33/28/72/502332872.db2.gz RJEIUBPTVQIFFP-QGZVFWFLSA-N 1 2 362.433 3.037 20 30 FGEDLO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000483262754 502332876 /nfs/dbraw/zinc/33/28/76/502332876.db2.gz RJEIUBPTVQIFFP-QGZVFWFLSA-N 1 2 362.433 3.037 20 30 FGEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000476069129 502375745 /nfs/dbraw/zinc/37/57/45/502375745.db2.gz GPVDVARUTZBDSE-AZUAARDMSA-N 1 2 362.477 3.374 20 30 FGEDLO C[C@H]1C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)S1=O ZINC000483443192 502394432 /nfs/dbraw/zinc/39/44/32/502394432.db2.gz RGANSQHLVKLRRX-IRXDYDNUSA-N 1 2 368.502 3.479 20 30 FGEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000483522572 502420395 /nfs/dbraw/zinc/42/03/95/502420395.db2.gz ZSTXMZDRWVYWLM-IBGZPJMESA-N 1 2 368.525 3.157 20 30 FGEDLO C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000466399050 502558768 /nfs/dbraw/zinc/55/87/68/502558768.db2.gz LSNCTORSWUVWJW-AZUAARDMSA-N 1 2 359.514 3.274 20 30 FGEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSCc1ccc(C#N)cc1 ZINC000469948356 502606709 /nfs/dbraw/zinc/60/67/09/502606709.db2.gz OWSFHMSHGDUFHG-UHFFFAOYSA-N 1 2 370.522 3.489 20 30 FGEDLO C[C@@H]1C[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)N1CC#N ZINC000602859855 506329833 /nfs/dbraw/zinc/32/98/33/506329833.db2.gz ZRKKNQOBCAJIGL-BTELXILVSA-N 1 2 374.337 3.019 20 30 FGEDLO C[C@@H]1C[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)N1CC#N ZINC000602859855 506329838 /nfs/dbraw/zinc/32/98/38/506329838.db2.gz ZRKKNQOBCAJIGL-BTELXILVSA-N 1 2 374.337 3.019 20 30 FGEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000602866428 506330498 /nfs/dbraw/zinc/33/04/98/506330498.db2.gz ZZMUZCFOTHWHLD-QMMMGPOBSA-N 1 2 364.165 3.298 20 30 FGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481086350 502750535 /nfs/dbraw/zinc/75/05/35/502750535.db2.gz DATRLDICTLCJEX-CHWSQXEVSA-N 1 2 363.177 3.208 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481086350 502750541 /nfs/dbraw/zinc/75/05/41/502750541.db2.gz DATRLDICTLCJEX-CHWSQXEVSA-N 1 2 363.177 3.208 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000481267692 502801601 /nfs/dbraw/zinc/80/16/01/502801601.db2.gz HIYGWEWCIJIISQ-UYAOXDASSA-N 1 2 357.498 3.295 20 30 FGEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000481267692 502801606 /nfs/dbraw/zinc/80/16/06/502801606.db2.gz HIYGWEWCIJIISQ-UYAOXDASSA-N 1 2 357.498 3.295 20 30 FGEDLO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH+]1CCN(CC#N)CC1 ZINC000513133776 502859903 /nfs/dbraw/zinc/85/99/03/502859903.db2.gz NYQKYVYQXPHIRO-UHFFFAOYSA-N 1 2 371.916 3.464 20 30 FGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000489483001 502969312 /nfs/dbraw/zinc/96/93/12/502969312.db2.gz DQZLNWUDQPWZAG-MRXNPFEDSA-N 1 2 353.466 3.325 20 30 FGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000489483001 502969315 /nfs/dbraw/zinc/96/93/15/502969315.db2.gz DQZLNWUDQPWZAG-MRXNPFEDSA-N 1 2 353.466 3.325 20 30 FGEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3ccc(F)cn3)CC2)C1=O ZINC000602904177 506344545 /nfs/dbraw/zinc/34/45/45/506344545.db2.gz NBZOODJESBIYFN-KRWDZBQOSA-N 1 2 370.453 3.139 20 30 FGEDLO N#C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513660841 502993108 /nfs/dbraw/zinc/99/31/08/502993108.db2.gz OMWRDBVKAWNNNS-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO N#C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513660841 502993111 /nfs/dbraw/zinc/99/31/11/502993111.db2.gz OMWRDBVKAWNNNS-VLIAUNLRSA-N 1 2 367.836 3.064 20 30 FGEDLO C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000497594009 502996212 /nfs/dbraw/zinc/99/62/12/502996212.db2.gz NTCNJZLSXCCLDH-YLJYHZDGSA-N 1 2 372.513 3.067 20 30 FGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000497736901 503028665 /nfs/dbraw/zinc/02/86/65/503028665.db2.gz RMLHZWOGNATNEL-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000497736901 503028671 /nfs/dbraw/zinc/02/86/71/503028671.db2.gz RMLHZWOGNATNEL-UHFFFAOYSA-N 1 2 363.446 3.294 20 30 FGEDLO CCN(C(C)=O)c1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602913504 506349789 /nfs/dbraw/zinc/34/97/89/506349789.db2.gz VOTPXHOBXLSVER-UHFFFAOYSA-N 1 2 369.494 3.162 20 30 FGEDLO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc(OC)c1O ZINC000510213661 503072473 /nfs/dbraw/zinc/07/24/73/503072473.db2.gz OMQNBEPKNUASSZ-UHFFFAOYSA-N 1 2 372.490 3.149 20 30 FGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000510359780 503099408 /nfs/dbraw/zinc/09/94/08/503099408.db2.gz FIDSLBKMPRINML-GOSISDBHSA-N 1 2 370.501 3.437 20 30 FGEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000506357822 503100553 /nfs/dbraw/zinc/10/05/53/503100553.db2.gz SYNXSYNFGYRYKD-UHFFFAOYSA-N 1 2 372.266 3.349 20 30 FGEDLO COc1ccc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)cc1C#N ZINC000510400729 503106823 /nfs/dbraw/zinc/10/68/23/503106823.db2.gz FBSOXJHGILELOO-UHFFFAOYSA-N 1 2 362.408 3.450 20 30 FGEDLO CCOc1cc(C[N@H+](CC)CCC#N)ccc1OCC(=O)N1CCCCC1 ZINC000506438950 503115416 /nfs/dbraw/zinc/11/54/16/503115416.db2.gz LYKPEBOGNBNPLJ-UHFFFAOYSA-N 1 2 373.497 3.212 20 30 FGEDLO CCOc1cc(C[N@@H+](CC)CCC#N)ccc1OCC(=O)N1CCCCC1 ZINC000506438950 503115417 /nfs/dbraw/zinc/11/54/17/503115417.db2.gz LYKPEBOGNBNPLJ-UHFFFAOYSA-N 1 2 373.497 3.212 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000514231514 503120191 /nfs/dbraw/zinc/12/01/91/503120191.db2.gz YTQGITDAOARVTR-HSZRJFAPSA-N 1 2 370.456 3.081 20 30 FGEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000514231514 503120193 /nfs/dbraw/zinc/12/01/93/503120193.db2.gz YTQGITDAOARVTR-HSZRJFAPSA-N 1 2 370.456 3.081 20 30 FGEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000593040885 506354621 /nfs/dbraw/zinc/35/46/21/506354621.db2.gz NUHOWQGTFQUZBB-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000593040885 506354627 /nfs/dbraw/zinc/35/46/27/506354627.db2.gz NUHOWQGTFQUZBB-HXUWFJFHSA-N 1 2 372.465 3.135 20 30 FGEDLO C=C[C@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498226868 503135961 /nfs/dbraw/zinc/13/59/61/503135961.db2.gz MXLNUNQYQNCDKZ-ZDUSSCGKSA-N 1 2 356.297 3.438 20 30 FGEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)s1 ZINC000506635183 503147125 /nfs/dbraw/zinc/14/71/25/503147125.db2.gz VZRVDXZLDOAZJE-IBGZPJMESA-N 1 2 351.475 3.169 20 30 FGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)s1 ZINC000506635183 503147130 /nfs/dbraw/zinc/14/71/30/503147130.db2.gz VZRVDXZLDOAZJE-IBGZPJMESA-N 1 2 351.475 3.169 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)cc4cccnc43)CC2)cc1 ZINC000502284950 503174765 /nfs/dbraw/zinc/17/47/65/503174765.db2.gz ZOWZTOABRFKRJU-UHFFFAOYSA-N 1 2 374.419 3.204 20 30 FGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000510792124 503193226 /nfs/dbraw/zinc/19/32/26/503193226.db2.gz PUEZBAIRMDSBPC-CQSZACIVSA-N 1 2 355.463 3.110 20 30 FGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000510792124 503193229 /nfs/dbraw/zinc/19/32/29/503193229.db2.gz PUEZBAIRMDSBPC-CQSZACIVSA-N 1 2 355.463 3.110 20 30 FGEDLO C=CC[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccs1 ZINC000510811533 503197199 /nfs/dbraw/zinc/19/71/99/503197199.db2.gz MTIDTTSWPLVHKJ-UHFFFAOYSA-N 1 2 373.497 3.224 20 30 FGEDLO C=CC[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccs1 ZINC000510811533 503197200 /nfs/dbraw/zinc/19/72/00/503197200.db2.gz MTIDTTSWPLVHKJ-UHFFFAOYSA-N 1 2 373.497 3.224 20 30 FGEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000602936544 506357669 /nfs/dbraw/zinc/35/76/69/506357669.db2.gz DYWSETMFYBOWOD-UHFFFAOYSA-N 1 2 359.861 3.059 20 30 FGEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000602936544 506357675 /nfs/dbraw/zinc/35/76/75/506357675.db2.gz DYWSETMFYBOWOD-UHFFFAOYSA-N 1 2 359.861 3.059 20 30 FGEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000502493580 503210845 /nfs/dbraw/zinc/21/08/45/503210845.db2.gz FDJWAHACPNKYTF-KRWDZBQOSA-N 1 2 363.383 3.201 20 30 FGEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000502493580 503210847 /nfs/dbraw/zinc/21/08/47/503210847.db2.gz FDJWAHACPNKYTF-KRWDZBQOSA-N 1 2 363.383 3.201 20 30 FGEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510886353 503211163 /nfs/dbraw/zinc/21/11/63/503211163.db2.gz BUWHQIKXCPZLCW-NSHDSACASA-N 1 2 359.323 3.240 20 30 FGEDLO Cc1ccc(CCC2CCN(C(=O)C[NH+]3CCC(F)(C#N)CC3)CC2)cc1 ZINC000510931134 503219754 /nfs/dbraw/zinc/21/97/54/503219754.db2.gz BXSJMROGXXKJBK-UHFFFAOYSA-N 1 2 371.500 3.494 20 30 FGEDLO N#CC1(F)CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000510935484 503221003 /nfs/dbraw/zinc/22/10/03/503221003.db2.gz SRPPVEXGHLWCRX-UHFFFAOYSA-N 1 2 355.413 3.136 20 30 FGEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000510947713 503222942 /nfs/dbraw/zinc/22/29/42/503222942.db2.gz NROKPGQVFCIHLE-GFCCVEGCSA-N 1 2 373.350 3.090 20 30 FGEDLO CCc1nnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(C#N)c1CC ZINC000599178450 506360309 /nfs/dbraw/zinc/36/03/09/506360309.db2.gz FWAFHKRJEFHYAF-UHFFFAOYSA-N 1 2 374.492 3.277 20 30 FGEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000511157072 503271543 /nfs/dbraw/zinc/27/15/43/503271543.db2.gz ZGZFJYBLKNZUCK-AWEZNQCLSA-N 1 2 355.388 3.355 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000599180820 506362329 /nfs/dbraw/zinc/36/23/29/506362329.db2.gz ZPXOFSWPTFUDNZ-UHFFFAOYSA-N 1 2 361.405 3.270 20 30 FGEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000515336662 503318366 /nfs/dbraw/zinc/31/83/66/503318366.db2.gz AOCCKMVVDGBXOO-LBPRGKRZSA-N 1 2 362.524 3.208 20 30 FGEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)c1nccc(C#N)c1Cl ZINC000493071019 503404073 /nfs/dbraw/zinc/40/40/73/503404073.db2.gz KAVZUCJQYNNLCB-WMZOPIPTSA-N 1 2 356.857 3.115 20 30 FGEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)c1nccc(C#N)c1Cl ZINC000493071019 503404077 /nfs/dbraw/zinc/40/40/77/503404077.db2.gz KAVZUCJQYNNLCB-WMZOPIPTSA-N 1 2 356.857 3.115 20 30 FGEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000503494545 503421353 /nfs/dbraw/zinc/42/13/53/503421353.db2.gz ARQJBXSSDYEVCY-UHFFFAOYSA-N 1 2 368.412 3.056 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(CO)o1 ZINC000512193231 503482461 /nfs/dbraw/zinc/48/24/61/503482461.db2.gz GRZXQKXJSAJMEZ-UHFFFAOYSA-N 1 2 358.438 3.106 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1ccc(CO)o1 ZINC000512193231 503482463 /nfs/dbraw/zinc/48/24/63/503482463.db2.gz GRZXQKXJSAJMEZ-UHFFFAOYSA-N 1 2 358.438 3.106 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000512211177 503487746 /nfs/dbraw/zinc/48/77/46/503487746.db2.gz GKNPIMGSTHWMEX-UHFFFAOYSA-N 1 2 364.373 3.406 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000512211177 503487748 /nfs/dbraw/zinc/48/77/48/503487748.db2.gz GKNPIMGSTHWMEX-UHFFFAOYSA-N 1 2 364.373 3.406 20 30 FGEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccccc1C#N ZINC000499938407 503515090 /nfs/dbraw/zinc/51/50/90/503515090.db2.gz JQJDUCKWOFPOCW-BZNIZROVSA-N 1 2 361.804 3.001 20 30 FGEDLO C=C(C)CCc1noc(-c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n1 ZINC000508631360 503533822 /nfs/dbraw/zinc/53/38/22/503533822.db2.gz KAPBXQFTYUTJGW-UHFFFAOYSA-N 1 2 351.410 3.471 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cnn(C(C)C)c1 ZINC000512506070 503572489 /nfs/dbraw/zinc/57/24/89/503572489.db2.gz GRPZOSHGKMHEIK-UXHICEINSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cnn(C(C)C)c1 ZINC000512506070 503572493 /nfs/dbraw/zinc/57/24/93/503572493.db2.gz GRPZOSHGKMHEIK-UXHICEINSA-N 1 2 374.529 3.012 20 30 FGEDLO C=C(C)C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512532619 503578327 /nfs/dbraw/zinc/57/83/27/503578327.db2.gz SOTYBRNVNSCFKB-UHFFFAOYSA-N 1 2 351.454 3.352 20 30 FGEDLO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(C(C)C)c1 ZINC000512532619 503578332 /nfs/dbraw/zinc/57/83/32/503578332.db2.gz SOTYBRNVNSCFKB-UHFFFAOYSA-N 1 2 351.454 3.352 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000540097700 503671296 /nfs/dbraw/zinc/67/12/96/503671296.db2.gz HLDUSGFPQMEFEU-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000540097700 503671304 /nfs/dbraw/zinc/67/13/04/503671304.db2.gz HLDUSGFPQMEFEU-KRWDZBQOSA-N 1 2 366.465 3.420 20 30 FGEDLO COc1cc(C#N)ccc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000546709389 503846817 /nfs/dbraw/zinc/84/68/17/503846817.db2.gz OBCXOSQKNJUKHT-UHFFFAOYSA-N 1 2 355.785 3.190 20 30 FGEDLO CCC[C@H](C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N)c1cccc(Cl)c1 ZINC000530261993 503900384 /nfs/dbraw/zinc/90/03/84/503900384.db2.gz UNXVAMUPDZSPPT-HNNXBMFYSA-N 1 2 373.888 3.031 20 30 FGEDLO Cc1cccc2[nH+]c(CNc3ccn(-c4ccc(C#N)cc4Cl)n3)cn21 ZINC000543863602 503919513 /nfs/dbraw/zinc/91/95/13/503919513.db2.gz NLOMFRWZYHEHGU-UHFFFAOYSA-N 1 2 362.824 3.388 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681904 503920778 /nfs/dbraw/zinc/92/07/78/503920778.db2.gz HZEKQLZLOCOCGI-ICSRJNTNSA-N 1 2 371.843 3.455 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533681904 503920782 /nfs/dbraw/zinc/92/07/82/503920782.db2.gz HZEKQLZLOCOCGI-ICSRJNTNSA-N 1 2 371.843 3.455 20 30 FGEDLO COc1cc2c(cc1F)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000537533382 503945343 /nfs/dbraw/zinc/94/53/43/503945343.db2.gz MNSWFVWYXIXDAF-CYBMUJFWSA-N 1 2 353.397 3.091 20 30 FGEDLO COc1cc2c(cc1F)C[N@H+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2 ZINC000537533382 503945347 /nfs/dbraw/zinc/94/53/47/503945347.db2.gz MNSWFVWYXIXDAF-CYBMUJFWSA-N 1 2 353.397 3.091 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683300 504003958 /nfs/dbraw/zinc/00/39/58/504003958.db2.gz IHIHXVJYLAFUFU-CABCVRRESA-N 1 2 351.425 3.321 20 30 FGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000537683300 504003965 /nfs/dbraw/zinc/00/39/65/504003965.db2.gz IHIHXVJYLAFUFU-CABCVRRESA-N 1 2 351.425 3.321 20 30 FGEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000541211740 504044209 /nfs/dbraw/zinc/04/42/09/504044209.db2.gz OPOKTZKIVOODJL-IBGZPJMESA-N 1 2 363.465 3.267 20 30 FGEDLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000534244671 504082454 /nfs/dbraw/zinc/08/24/54/504082454.db2.gz LHKMIKVNEFSLDY-UHFFFAOYSA-N 1 2 359.433 3.300 20 30 FGEDLO CCc1cnc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000544349774 504098663 /nfs/dbraw/zinc/09/86/63/504098663.db2.gz PAJTUZWEYCNJKS-UHFFFAOYSA-N 1 2 363.490 3.448 20 30 FGEDLO N#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000530877209 504116618 /nfs/dbraw/zinc/11/66/18/504116618.db2.gz KGRKLOLMJGEUBN-OAHLLOKOSA-N 1 2 374.322 3.156 20 30 FGEDLO N#Cc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1F ZINC000538139886 504143364 /nfs/dbraw/zinc/14/33/64/504143364.db2.gz BVHZQNIFTCGXLD-UHFFFAOYSA-N 1 2 371.419 3.439 20 30 FGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000544467295 504144642 /nfs/dbraw/zinc/14/46/42/504144642.db2.gz YWKBQZMPRDNQLX-BXTJHSDWSA-N 1 2 354.454 3.435 20 30 FGEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(F)c(F)c(O)c1F)C(C)C ZINC000544562195 504175081 /nfs/dbraw/zinc/17/50/81/504175081.db2.gz PLCMBWRXFWBDJP-AWEZNQCLSA-N 1 2 356.388 3.238 20 30 FGEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)nc1C ZINC000541686054 504220422 /nfs/dbraw/zinc/22/04/22/504220422.db2.gz DXJPHRLAKZVLQT-LBPRGKRZSA-N 1 2 359.451 3.359 20 30 FGEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccccc1F ZINC000531198944 504223902 /nfs/dbraw/zinc/22/39/02/504223902.db2.gz GOUBVUVROOKQHV-QGZVFWFLSA-N 1 2 367.359 3.481 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700535 504225975 /nfs/dbraw/zinc/22/59/75/504225975.db2.gz RFICFUMMPLVYAV-FQEVSTJZSA-N 1 2 366.461 3.279 20 30 FGEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541700535 504225980 /nfs/dbraw/zinc/22/59/80/504225980.db2.gz RFICFUMMPLVYAV-FQEVSTJZSA-N 1 2 366.461 3.279 20 30 FGEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1c(F)cccc1Cl ZINC000531587798 504355428 /nfs/dbraw/zinc/35/54/28/504355428.db2.gz DGUWVDWFJBTIEV-UHFFFAOYSA-N 1 2 364.852 3.347 20 30 FGEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1c(F)cccc1Cl ZINC000531587798 504355433 /nfs/dbraw/zinc/35/54/33/504355433.db2.gz DGUWVDWFJBTIEV-UHFFFAOYSA-N 1 2 364.852 3.347 20 30 FGEDLO N#Cc1ccc(C2([NH2+]Cc3noc(-c4ccccc4)n3)CCOCC2)cc1 ZINC000528785598 504378838 /nfs/dbraw/zinc/37/88/38/504378838.db2.gz YVQIFCKBBZEESY-UHFFFAOYSA-N 1 2 360.417 3.404 20 30 FGEDLO CCC(C#N)(CC)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000529055617 504513729 /nfs/dbraw/zinc/51/37/29/504513729.db2.gz WZKONVCFNJKWMH-UHFFFAOYSA-N 1 2 354.376 3.079 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000542850759 504633770 /nfs/dbraw/zinc/63/37/70/504633770.db2.gz NLEIRXHWXSJKOI-ROUUACIJSA-N 1 2 362.424 3.045 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000542850759 504633772 /nfs/dbraw/zinc/63/37/72/504633772.db2.gz NLEIRXHWXSJKOI-ROUUACIJSA-N 1 2 362.424 3.045 20 30 FGEDLO N#Cc1cc(Oc2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)ccn1 ZINC000521122379 504654508 /nfs/dbraw/zinc/65/45/08/504654508.db2.gz LGZGNEWLPYRIFD-UHFFFAOYSA-N 1 2 362.393 3.154 20 30 FGEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000539819559 504701383 /nfs/dbraw/zinc/70/13/83/504701383.db2.gz HOKAKNDDMBUDPD-IVCQMTBJSA-N 1 2 354.475 3.090 20 30 FGEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000539819559 504701388 /nfs/dbraw/zinc/70/13/88/504701388.db2.gz HOKAKNDDMBUDPD-IVCQMTBJSA-N 1 2 354.475 3.090 20 30 FGEDLO N#Cc1ccc(N2CC[NH+](Cc3ccsc3Br)CC2)nc1 ZINC000529520739 504709230 /nfs/dbraw/zinc/70/92/30/504709230.db2.gz KUSADPGXICYJOF-UHFFFAOYSA-N 1 2 363.284 3.099 20 30 FGEDLO CN(C)c1ccc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)c[nH+]1 ZINC000552973411 504796586 /nfs/dbraw/zinc/79/65/86/504796586.db2.gz WNFXDDRGEUCYFA-UHFFFAOYSA-N 1 2 357.339 3.019 20 30 FGEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000559305040 504825925 /nfs/dbraw/zinc/82/59/25/504825925.db2.gz HFRXIOOYDOLMJP-UHFFFAOYSA-N 1 2 353.495 3.390 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000549822645 504907979 /nfs/dbraw/zinc/90/79/79/504907979.db2.gz UFZRBBUEUSGSEI-IYBDPMFKSA-N 1 2 364.449 3.123 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000549822645 504907980 /nfs/dbraw/zinc/90/79/80/504907980.db2.gz UFZRBBUEUSGSEI-IYBDPMFKSA-N 1 2 364.449 3.123 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559779535 504927605 /nfs/dbraw/zinc/92/76/05/504927605.db2.gz LQZAFOHBRPVERC-MRXNPFEDSA-N 1 2 366.303 3.406 20 30 FGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559779535 504927607 /nfs/dbraw/zinc/92/76/07/504927607.db2.gz LQZAFOHBRPVERC-MRXNPFEDSA-N 1 2 366.303 3.406 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000565707040 504965238 /nfs/dbraw/zinc/96/52/38/504965238.db2.gz GRHJFXFSXYULSK-VQIMIIECSA-N 1 2 363.465 3.046 20 30 FGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000565707040 504965241 /nfs/dbraw/zinc/96/52/41/504965241.db2.gz GRHJFXFSXYULSK-VQIMIIECSA-N 1 2 363.465 3.046 20 30 FGEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000563028481 505025937 /nfs/dbraw/zinc/02/59/37/505025937.db2.gz PYSQQQWQFGMDCK-JXFKEZNVSA-N 1 2 368.481 3.282 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560337742 505049764 /nfs/dbraw/zinc/04/97/64/505049764.db2.gz LASBKUYDULGEKX-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560337742 505049767 /nfs/dbraw/zinc/04/97/67/505049767.db2.gz LASBKUYDULGEKX-SJLPKXTDSA-N 1 2 372.831 3.229 20 30 FGEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Br ZINC000561105356 505251379 /nfs/dbraw/zinc/25/13/79/505251379.db2.gz BSMLEHZBYNCBKN-UHFFFAOYSA-N 1 2 371.282 3.346 20 30 FGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)c(OC)cc1OC ZINC000566764984 505266698 /nfs/dbraw/zinc/26/66/98/505266698.db2.gz UWCCOADJRDCJDK-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)c(OC)cc1OC ZINC000566764984 505266699 /nfs/dbraw/zinc/26/66/99/505266699.db2.gz UWCCOADJRDCJDK-UHFFFAOYSA-N 1 2 361.438 3.376 20 30 FGEDLO N#Cc1cc(NCc2[nH+]ccn2CCc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000561234182 505288309 /nfs/dbraw/zinc/28/83/09/505288309.db2.gz XABUDEHKCQIWMN-UHFFFAOYSA-N 1 2 362.393 3.100 20 30 FGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000563972396 505292730 /nfs/dbraw/zinc/29/27/30/505292730.db2.gz UDNGZXFYXBWKJM-INIZCTEOSA-N 1 2 367.428 3.325 20 30 FGEDLO COC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1ccc2ccccc2c1 ZINC000551804581 505313089 /nfs/dbraw/zinc/31/30/89/505313089.db2.gz BHSDUMBDFNJDPG-OAQYLSRUSA-N 1 2 370.412 3.363 20 30 FGEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000555247143 505390475 /nfs/dbraw/zinc/39/04/75/505390475.db2.gz FQKGCXYATHHXQH-OAHLLOKOSA-N 1 2 360.531 3.317 20 30 FGEDLO COc1cc[nH+]cc1COc1cc(C#N)ccc1I ZINC000561715355 505416667 /nfs/dbraw/zinc/41/66/67/505416667.db2.gz AOWOTJQLSWKOIB-UHFFFAOYSA-N 1 2 366.158 3.145 20 30 FGEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000567429345 505459750 /nfs/dbraw/zinc/45/97/50/505459750.db2.gz JQVOHVFLOWRRIE-UHFFFAOYSA-N 1 2 366.461 3.218 20 30 FGEDLO N#Cc1cccc(OC2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000567435398 505461293 /nfs/dbraw/zinc/46/12/93/505461293.db2.gz FYMHWDUWFYNYNN-UHFFFAOYSA-N 1 2 363.465 3.386 20 30 FGEDLO N#Cc1cccc(OC2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000567435398 505461299 /nfs/dbraw/zinc/46/12/99/505461299.db2.gz FYMHWDUWFYNYNN-UHFFFAOYSA-N 1 2 363.465 3.386 20 30 FGEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000561900483 505463561 /nfs/dbraw/zinc/46/35/61/505463561.db2.gz JBBZWNXYISOOFJ-SFHVURJKSA-N 1 2 351.454 3.365 20 30 FGEDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1C ZINC000567461548 505470999 /nfs/dbraw/zinc/47/09/99/505470999.db2.gz IBMNOHXEDJYJHF-CQSZACIVSA-N 1 2 371.510 3.193 20 30 FGEDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cnn1C ZINC000567461548 505471004 /nfs/dbraw/zinc/47/10/04/505471004.db2.gz IBMNOHXEDJYJHF-CQSZACIVSA-N 1 2 371.510 3.193 20 30 FGEDLO C=CCCOCCNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000558770426 505487757 /nfs/dbraw/zinc/48/77/57/505487757.db2.gz OTIWMUYJFKMSIY-UHFFFAOYSA-N 1 2 356.470 3.326 20 30 FGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000552537236 505510103 /nfs/dbraw/zinc/51/01/03/505510103.db2.gz QFAXWEGRUOJROZ-GFCCVEGCSA-N 1 2 367.371 3.053 20 30 FGEDLO N#CCCC1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000567751806 505556369 /nfs/dbraw/zinc/55/63/69/505556369.db2.gz OGBUPFIUOXHTOE-UHFFFAOYSA-N 1 2 355.486 3.297 20 30 FGEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000599250686 506386095 /nfs/dbraw/zinc/38/60/95/506386095.db2.gz QXTPSCVHWLEVDL-UHFFFAOYSA-N 1 2 364.346 3.433 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599342805 506418985 /nfs/dbraw/zinc/41/89/85/506418985.db2.gz WFGIBMCTHKUZNV-UHFFFAOYSA-N 1 2 365.399 3.448 20 30 FGEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599342805 506418987 /nfs/dbraw/zinc/41/89/87/506418987.db2.gz WFGIBMCTHKUZNV-UHFFFAOYSA-N 1 2 365.399 3.448 20 30 FGEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000599370474 506431039 /nfs/dbraw/zinc/43/10/39/506431039.db2.gz INRPTEZZOGOKHO-PBHICJAKSA-N 1 2 370.453 3.079 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162800 506467323 /nfs/dbraw/zinc/46/73/23/506467323.db2.gz MRRWCPLSKLLRDM-UGSOOPFHSA-N 1 2 351.853 3.452 20 30 FGEDLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162800 506467328 /nfs/dbraw/zinc/46/73/28/506467328.db2.gz MRRWCPLSKLLRDM-UGSOOPFHSA-N 1 2 351.853 3.452 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC(C4CC4)CC3)CC2)cc1 ZINC000596658055 506514442 /nfs/dbraw/zinc/51/44/42/506514442.db2.gz HEMGYWTZSVHGDN-UHFFFAOYSA-N 1 2 351.494 3.419 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000593312053 506531091 /nfs/dbraw/zinc/53/10/91/506531091.db2.gz KRGRHLURSOLTNK-HBMCJLEFSA-N 1 2 370.456 3.495 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000589410512 506540112 /nfs/dbraw/zinc/54/01/12/506540112.db2.gz PTRBNQWGRYBLGL-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000589410512 506540118 /nfs/dbraw/zinc/54/01/18/506540118.db2.gz PTRBNQWGRYBLGL-MRXNPFEDSA-N 1 2 372.831 3.140 20 30 FGEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000589504301 506572659 /nfs/dbraw/zinc/57/26/59/506572659.db2.gz OAOFOEXVZUEDSF-NRFANRHFSA-N 1 2 356.429 3.149 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678740 506574587 /nfs/dbraw/zinc/57/45/87/506574587.db2.gz XWFPBJHVXQQEAD-MRXNPFEDSA-N 1 2 363.461 3.455 20 30 FGEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678740 506574590 /nfs/dbraw/zinc/57/45/90/506574590.db2.gz XWFPBJHVXQQEAD-MRXNPFEDSA-N 1 2 363.461 3.455 20 30 FGEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1nc(-c3cccc(C#N)c3)cs1)CC2 ZINC000599719768 506601873 /nfs/dbraw/zinc/60/18/73/506601873.db2.gz WIAFMBQKRSXPMN-OAHLLOKOSA-N 1 2 363.446 3.388 20 30 FGEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000593405066 506602169 /nfs/dbraw/zinc/60/21/69/506602169.db2.gz FIYHZNPOMIDTAU-KRWDZBQOSA-N 1 2 353.470 3.333 20 30 FGEDLO N#Cc1c(F)cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000596817698 506616582 /nfs/dbraw/zinc/61/65/82/506616582.db2.gz RHRWMHZROSNPJK-UHFFFAOYSA-N 1 2 356.376 3.152 20 30 FGEDLO COc1cc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(F)cc1C#N ZINC000599808680 506648252 /nfs/dbraw/zinc/64/82/52/506648252.db2.gz AHTMXTJJYJTSSA-OAHLLOKOSA-N 1 2 357.389 3.054 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000596985528 506713656 /nfs/dbraw/zinc/71/36/56/506713656.db2.gz ONYOQMFARMORCM-UHFFFAOYSA-N 1 2 365.462 3.356 20 30 FGEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000596993353 506719382 /nfs/dbraw/zinc/71/93/82/506719382.db2.gz NRURQWCIKIXBPW-UHFFFAOYSA-N 1 2 372.476 3.035 20 30 FGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000597177595 506816552 /nfs/dbraw/zinc/81/65/52/506816552.db2.gz PZFOFXPKGNRCPH-CYBMUJFWSA-N 1 2 360.259 3.155 20 30 FGEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000597177595 506816559 /nfs/dbraw/zinc/81/65/59/506816559.db2.gz PZFOFXPKGNRCPH-CYBMUJFWSA-N 1 2 360.259 3.155 20 30 FGEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000597182588 506819822 /nfs/dbraw/zinc/81/98/22/506819822.db2.gz DPUBUMFZMVUCHG-UHFFFAOYSA-N 1 2 367.478 3.244 20 30 FGEDLO C[C@]1(C(F)F)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000597253025 506861801 /nfs/dbraw/zinc/86/18/01/506861801.db2.gz WSDNUQFIFMIRLD-LJQANCHMSA-N 1 2 360.408 3.320 20 30 FGEDLO C[C@]1(C(F)F)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000597253025 506861809 /nfs/dbraw/zinc/86/18/09/506861809.db2.gz WSDNUQFIFMIRLD-LJQANCHMSA-N 1 2 360.408 3.320 20 30 FGEDLO COc1ccc(C)cc1C[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000604533096 506864057 /nfs/dbraw/zinc/86/40/57/506864057.db2.gz ICHUBQCDFJNSGX-UHFFFAOYSA-N 1 2 357.404 3.476 20 30 FGEDLO CC(C)C[C@H](NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609538323 506912552 /nfs/dbraw/zinc/91/25/52/506912552.db2.gz QHWGLPKQQKLXPE-LEWJYISDSA-N 1 2 370.541 3.056 20 30 FGEDLO C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609546961 506917494 /nfs/dbraw/zinc/91/74/94/506917494.db2.gz XSCGUHNTYQLKNS-JTSKRJEESA-N 1 2 374.488 3.319 20 30 FGEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncoc3-c3ccccc3)CC2)cc1 ZINC000609561443 506922736 /nfs/dbraw/zinc/92/27/36/506922736.db2.gz ZNMNYRRJLZWSEL-UHFFFAOYSA-N 1 2 372.428 3.171 20 30 FGEDLO C[C@H]1Cc2ccccc2N1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671899 506969771 /nfs/dbraw/zinc/96/97/71/506969771.db2.gz ZXXKNCNMLYQVJC-AOMKIAJQSA-N 1 2 374.488 3.000 20 30 FGEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC12CCCC2 ZINC000600678515 507061510 /nfs/dbraw/zinc/06/15/10/507061510.db2.gz RZAOENMMENDCNW-QFIPXVFZSA-N 1 2 362.477 3.286 20 30 FGEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600787636 507121343 /nfs/dbraw/zinc/12/13/43/507121343.db2.gz CDLFBZNZGRGXNR-UHFFFAOYSA-N 1 2 358.445 3.386 20 30 FGEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000584105485 507154670 /nfs/dbraw/zinc/15/46/70/507154670.db2.gz BKBPIYUDHBHGKS-UHFFFAOYSA-N 1 2 350.466 3.282 20 30 FGEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000584105485 507154677 /nfs/dbraw/zinc/15/46/77/507154677.db2.gz BKBPIYUDHBHGKS-UHFFFAOYSA-N 1 2 350.466 3.282 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NC1(c2cccc(C#N)c2)CC1)C(F)(F)F ZINC000584122545 507165078 /nfs/dbraw/zinc/16/50/78/507165078.db2.gz VLXYLIMJCJFYHU-CQSZACIVSA-N 1 2 362.355 3.133 20 30 FGEDLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)[nH+]c12 ZINC000591334555 507205454 /nfs/dbraw/zinc/20/54/54/507205454.db2.gz HSXVSVNBXXAFJT-HXUWFJFHSA-N 1 2 373.460 3.434 20 30 FGEDLO C[C@@]1(c2ccccc2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610352502 507208855 /nfs/dbraw/zinc/20/88/55/507208855.db2.gz BZBMHQXNBKYNIH-GGAORHGYSA-N 1 2 374.488 3.116 20 30 FGEDLO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601371241 507347363 /nfs/dbraw/zinc/34/73/63/507347363.db2.gz DMSXBUJMQKSZTD-HOTGVXAUSA-N 1 2 361.848 3.424 20 30 FGEDLO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000601371241 507347370 /nfs/dbraw/zinc/34/73/70/507347370.db2.gz DMSXBUJMQKSZTD-HOTGVXAUSA-N 1 2 361.848 3.424 20 30 FGEDLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1OC ZINC000592145197 507506796 /nfs/dbraw/zinc/50/67/96/507506796.db2.gz MSPDWULHNMTDFZ-LJQANCHMSA-N 1 2 373.478 3.068 20 30 FGEDLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1OC ZINC000592145197 507506801 /nfs/dbraw/zinc/50/68/01/507506801.db2.gz MSPDWULHNMTDFZ-LJQANCHMSA-N 1 2 373.478 3.068 20 30 FGEDLO N#Cc1csc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)n1 ZINC000592144443 507507488 /nfs/dbraw/zinc/50/74/88/507507488.db2.gz FAZUWOMHTHMCGD-CYBMUJFWSA-N 1 2 357.357 3.127 20 30 FGEDLO N#Cc1csc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)n1 ZINC000592144446 507508302 /nfs/dbraw/zinc/50/83/02/507508302.db2.gz FAZUWOMHTHMCGD-ZDUSSCGKSA-N 1 2 357.357 3.127 20 30 FGEDLO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC#N)C3)c[nH+]2)CC1 ZINC000595457389 507508389 /nfs/dbraw/zinc/50/83/89/507508389.db2.gz WUTDEYFNVZWQEU-KRWDZBQOSA-N 1 2 355.486 3.153 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150579 507510390 /nfs/dbraw/zinc/51/03/90/507510390.db2.gz GYKHKHPUJOEAQS-HWPZZCPQSA-N 1 2 367.236 3.455 20 30 FGEDLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150579 507510395 /nfs/dbraw/zinc/51/03/95/507510395.db2.gz GYKHKHPUJOEAQS-HWPZZCPQSA-N 1 2 367.236 3.455 20 30 FGEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1F ZINC000611089012 507511347 /nfs/dbraw/zinc/51/13/47/507511347.db2.gz GXBORXSFEWWRDS-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1F ZINC000611089012 507511352 /nfs/dbraw/zinc/51/13/52/507511352.db2.gz GXBORXSFEWWRDS-UHFFFAOYSA-N 1 2 360.454 3.383 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000598649553 507532700 /nfs/dbraw/zinc/53/27/00/507532700.db2.gz PALFEJSZLKKYEH-HNNXBMFYSA-N 1 2 352.438 3.038 20 30 FGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000598649553 507532706 /nfs/dbraw/zinc/53/27/06/507532706.db2.gz PALFEJSZLKKYEH-HNNXBMFYSA-N 1 2 352.438 3.038 20 30 FGEDLO CCc1[nH+]c2cc(CNC(=O)N3CC[C@](C)(C#N)C3)ccc2n1C1CC1 ZINC000595600034 507583391 /nfs/dbraw/zinc/58/33/91/507583391.db2.gz FLKLXZNUZRNVRO-HXUWFJFHSA-N 1 2 351.454 3.379 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000611255936 507583490 /nfs/dbraw/zinc/58/34/90/507583490.db2.gz YCOCKYUYTMBIES-UHFFFAOYSA-N 1 2 374.404 3.005 20 30 FGEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000611255936 507583491 /nfs/dbraw/zinc/58/34/91/507583491.db2.gz YCOCKYUYTMBIES-UHFFFAOYSA-N 1 2 374.404 3.005 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612111 507590421 /nfs/dbraw/zinc/59/04/21/507590421.db2.gz SAEGBFYDAXHULM-JKSUJKDBSA-N 1 2 357.454 3.204 20 30 FGEDLO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612111 507590425 /nfs/dbraw/zinc/59/04/25/507590425.db2.gz SAEGBFYDAXHULM-JKSUJKDBSA-N 1 2 357.454 3.204 20 30 FGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000595621527 507597457 /nfs/dbraw/zinc/59/74/57/507597457.db2.gz VZMDQRUGXKSEDG-HNNXBMFYSA-N 1 2 354.479 3.199 20 30 FGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000595621527 507597464 /nfs/dbraw/zinc/59/74/64/507597464.db2.gz VZMDQRUGXKSEDG-HNNXBMFYSA-N 1 2 354.479 3.199 20 30 FGEDLO N#Cc1ccc2ncc(C[NH+]3C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C3)n2c1 ZINC000611276517 507601711 /nfs/dbraw/zinc/60/17/11/507601711.db2.gz FBKFXUGRGZAOOB-VXGBXAGGSA-N 1 2 362.277 3.379 20 30 FGEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595654346 507615664 /nfs/dbraw/zinc/61/56/64/507615664.db2.gz UMFBMAHVWLTRQB-QZTJIDSGSA-N 1 2 351.454 3.039 20 30 FGEDLO C=CCCSCCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000595654815 507615916 /nfs/dbraw/zinc/61/59/16/507615916.db2.gz YDMILSNYPLMJFQ-QGZVFWFLSA-N 1 2 358.511 3.312 20 30 FGEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000611370132 507644793 /nfs/dbraw/zinc/64/47/93/507644793.db2.gz MWVBTPDICKBVSC-UHFFFAOYSA-N 1 2 363.396 3.438 20 30 FGEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)sc2c1CCCCC2 ZINC000595750413 507664813 /nfs/dbraw/zinc/66/48/13/507664813.db2.gz MJEZMJRUPDXKCA-FQEVSTJZSA-N 1 2 373.522 3.064 20 30 FGEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)sc2c1CCCCC2 ZINC000595750413 507664814 /nfs/dbraw/zinc/66/48/14/507664814.db2.gz MJEZMJRUPDXKCA-FQEVSTJZSA-N 1 2 373.522 3.064 20 30 FGEDLO CC(C)Cn1nccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000592498751 507681005 /nfs/dbraw/zinc/68/10/05/507681005.db2.gz CLTDPFAZDLBFIM-UHFFFAOYSA-N 1 2 374.492 3.281 20 30 FGEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000592526378 507696217 /nfs/dbraw/zinc/69/62/17/507696217.db2.gz YHJXIRPKRXCMLE-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000592526378 507696222 /nfs/dbraw/zinc/69/62/22/507696222.db2.gz YHJXIRPKRXCMLE-ZDUSSCGKSA-N 1 2 363.177 3.318 20 30 FGEDLO CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)C#N ZINC000595811905 507697069 /nfs/dbraw/zinc/69/70/69/507697069.db2.gz HQXOWFOTONESQZ-AWEZNQCLSA-N 1 2 367.453 3.181 20 30 FGEDLO CC[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)C#N ZINC000595811905 507697075 /nfs/dbraw/zinc/69/70/75/507697075.db2.gz HQXOWFOTONESQZ-AWEZNQCLSA-N 1 2 367.453 3.181 20 30 FGEDLO C[C@@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473597 507698078 /nfs/dbraw/zinc/69/80/78/507698078.db2.gz WRNWJZSCMFZAIS-VGSWGCGISA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000611473597 507698082 /nfs/dbraw/zinc/69/80/82/507698082.db2.gz WRNWJZSCMFZAIS-VGSWGCGISA-N 1 2 367.468 3.375 20 30 FGEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595833597 507707006 /nfs/dbraw/zinc/70/70/06/507707006.db2.gz DYPXIGQVFBWQCN-HSZRJFAPSA-N 1 2 361.489 3.493 20 30 FGEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000595833597 507707012 /nfs/dbraw/zinc/70/70/12/507707012.db2.gz DYPXIGQVFBWQCN-HSZRJFAPSA-N 1 2 361.489 3.493 20 30 FGEDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000595848412 507712153 /nfs/dbraw/zinc/71/21/53/507712153.db2.gz APJBEHDLKDSYEO-CQSZACIVSA-N 1 2 364.287 3.057 20 30 FGEDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000595848412 507712160 /nfs/dbraw/zinc/71/21/60/507712160.db2.gz APJBEHDLKDSYEO-CQSZACIVSA-N 1 2 364.287 3.057 20 30 FGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824035528 608596136 /nfs/dbraw/zinc/59/61/36/608596136.db2.gz ZGEHPUKIJJJGEX-OAHLLOKOSA-N 1 2 362.437 3.037 20 30 FGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824035528 608596141 /nfs/dbraw/zinc/59/61/41/608596141.db2.gz ZGEHPUKIJJJGEX-OAHLLOKOSA-N 1 2 362.437 3.037 20 30 FGEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1N(C)C ZINC000823958215 609470135 /nfs/dbraw/zinc/47/01/35/609470135.db2.gz FXFYWHZYLFGJAY-UHFFFAOYSA-N 1 2 355.833 3.422 20 30 FGEDLO